# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-11T07:26:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2019 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1550015","17.533","0.004","17.533","0.004","11.484","0.003","90","","90","","120","","3057.3","1.3","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 F6 N4 -","- C16 F6 N4 -","- C144 F54 N36 -","9","0.5","","Li, Jing; Duchemin, Ivan; Roscioni, Otello Maria; Friederich, Pascal; Anderson, Marie; Da Como, Enrico; Kociok-Köhn, Gabriele; Wenzel, Wolfgang; Zannoni, Claudio; Beljonne, David; Blase, Xavier; D'Avino, Gabriele","Host dependence of the electron affinity of molecular dopants","Materials Horizons","2019","6","1","107","","10.1039/C8MH00921J","","","1.54184","CuKα","","0.0729","0.0585","","","0.1643","0.1808","","","","","","1.062","","","","has coordinates,has disorder","225360","2020-10-21","18:00:00",""
"1550032","13.983","0.0009","16.9424","0.0011","19.1273","0.0011","77.146","0.001","74.236","0.001","75.997","0.002","4171.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","KAZn","","- C34 H13 F28 N4 O Zn -","- C34 H14 F28 N4 O Zn -","- C136 H56 F112 N16 O4 Zn4 -","4","2","","Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M.","Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential","Materials Horizons","2019","6","1","192","","10.1039/C8MH01119B","","","0.71073","MoKα","","0.0553","0.0429","","","0.1208","0.1271","","","","","","1.039","","","","has coordinates,has disorder","225361","2020-10-21","18:00:00",""
"1550036","11.581","0.0013","20.328","0.002","27.709","0.003","68.687","0.001","88.434","0.001","80.525","0.001","5990.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H95 Co Li Mn O10 -","- C55 H95 Co Li Mn O10 -","- C220 H380 Co4 Li4 Mn4 O40 -","4","2","","Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V.","Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries","Chemical Science","2019","","","","","10.1039/C8SC03816C","","","0.71073","MoKα","","0.0918","0.0554","","","0.1326","0.1553","","","","","","1.024","","","","has coordinates,has disorder","211475","2020-10-21","18:00:00",""
"1550037","11.5679","0.0004","20.2647","0.0006","27.742","0.0007","68.6974","0.0007","88.552","0.0008","80.5081","0.0008","5971.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H95 Co0.5 Li Mn1.5 O10 -","- C55 H95 Co0.5 Li Mn1.5 O10 -","- C220 H380 Co2 Li4 Mn6 O40 -","4","2","","Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V.","Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries","Chemical Science","2019","","","","","10.1039/C8SC03816C","","","0.41328","synchrotron","","0.0735","0.0465","","","0.11","0.1238","","","","","","1.018","","","","has coordinates,has disorder","211475","2020-10-21","18:00:00",""
"1550039","30.214","0.013","10.381","0.004","23.797","0.01","90","","113.791","0.005","90","","6830","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cr N8 O9 -","- C27 H41 Cr N8 O9 -","- C216 H328 Cr8 N64 O72 -","8","1","","Seo, Junghee; Cabelof, Alyssa; Chen, Chun-Hsing; Caulton, Kenneth G.","Selective Deoxygenation of Nitrate to Nitrosyl using Trivalent Chromium and the Mashima Reagent: Reductive Silylation","Chemical Science","2019","","","","","10.1039/C8SC02979B","","","0.41328","synchrotron","","0.1539","0.1283","","0.3578","0.3321","0.3578","","","","","","0.9998","","","","has coordinates,has disorder","211477","2020-10-21","18:00:00",""
"1550045","25.1615","0.0004","30.4928","0.0005","32.0095","0.0009","90","","90.675","0.002","90","","24557.4","0.9","83","0.6","83","0.6","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C268 H484 Ag80 F48 Mo16 N8 O120 S52 -","- C268 H484 Ag80 F48 Mo16 N8 O120 S52 -","- C536 H968 Ag160 F96 Mo32 N16 O240 S104 -","2","0.5","","SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster","Chemical Science","2019","","","","","10.1039/C8SC03396J","","x-ray","0.71073","MoKα","","0.1081","0.0737","","","0.1725","0.2016","","","","","","1.068","","","","has coordinates","211528","2020-10-21","18:00:00",""
"1550046","21.9533","0.0003","22.169","0.0003","22.999","0.0003","111.88","0.0011","109.228","0.0011","92.0299","0.001","9646.4","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C142 H294 Ag80 F48 Mo16 N6 O114 S52 -","- C142 H294 Ag80 F48 Mo16 N6 O114 S52 -","- C142 H294 Ag80 F48 Mo16 N6 O114 S52 -","1","0.5","","SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster","Chemical Science","2019","","","","","10.1039/C8SC03396J","","x-ray","0.71073","MoKα","","0.0576","0.0439","","","0.1137","0.1216","","","","","","1.05","","","","has coordinates,has disorder","211528","2020-10-21","18:00:00",""
"1550051","8.8828","0.0006","19.2484","0.0013","10.8095","0.0007","90","","113.471","0.004","90","","1695.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CYN-UP","","","- C18 H23 N5 O -","- C18 H23 N5 O -","- C72 H92 N20 O4 -","4","1","","Choi, Yoona; Kim, Heejun; Park, Seung Bum","Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy","Chemical Science","2019","","","","","10.1039/C8SC04061C","","","0.71073","MoKα","","0.0824","0.0479","","","0.1151","0.1365","","","","","","1.007","","","","has coordinates","211530","2020-10-21","18:00:00",""
"1550052","9.7756","0.0012","12.9665","0.0016","12.9912","0.0016","84.4412","0.0012","86.9004","0.0012","84.193","0.0012","1628.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","CYN-P1","","","- C17 H22 N5 O -","- C17 H22 N5 O -","- C68 H88 N20 O4 -","4","2","","Choi, Yoona; Kim, Heejun; Park, Seung Bum","Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy","Chemical Science","2019","","","","","10.1039/C8SC04061C","","","0.71073","MoKα","","0.1345","0.0657","","","0.1432","0.1765","","","","","","1.014","","","","has coordinates","211530","2020-10-21","18:00:00",""
"1550053","12.8268","0.0011","21.9164","0.0019","17.7812","0.0015","90","","99.648","0.003","90","","4927.9","0.7","100","","99.93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 N2 O8 V -","- C50 H84 N2 O8 V -","- C200 H336 N8 O32 V4 -","4","0.5","","Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph","Counterion Influence on Dynamic Spin Properties in a V(IV) Complex","Chemical Science","2019","","","","","10.1039/C8SC04122A","","x-ray","0.71073","MoKα","","0.0756","0.0657","","","0.1446","0.151","","","","","","1.229","","","","has coordinates,has disorder","211531","2020-10-21","18:00:00",""
"1550054","21.013","0.005","23.356","0.006","15.4","0.003","90","","132.546","0.006","90","","5568","2","100","","100.37","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H92 N2 O6 V -","- C54 H92 N2 O6 V -","- C216 H368 N8 O24 V4 -","4","1","","Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph","Counterion Influence on Dynamic Spin Properties in a V(IV) Complex","Chemical Science","2019","","","","","10.1039/C8SC04122A","","x-ray","0.71073","MoKα","","0.0848","0.0696","","","0.1624","0.1717","","","","","","1.15","","","","has coordinates,has disorder","211531","2020-10-21","18:00:00",""
"1550095","8.23403","0.0001","10.88902","0.00013","34.457","0.0005","90","","90","","90","","3089.43","0.07","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C176 H112 N16 O8 -","8","1","","Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C.","Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","1","140","147","10.1039/c8pp00279g","","x-ray","1.54184","CuKα","","0.0411","0.0338","","","0.0851","0.0905","","","","","","1.045","","","","has coordinates","225317","2020-10-21","18:00:00",""
"1550096","25.7276","0.0005","25.7276","0.0005","7.7202","0.0003","90","","90","","90","","5110.1","0.2","100","2","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C41 H56 N8 O20 S4 -","- C41 H56 N8 O20 S4 -","- C164 H224 N32 O80 S16 -","4","0.25","","Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina","Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics","Chemical Science","2019","","","","","10.1039/C8SC04376K","","x-ray","0.7","synchrotron","","0.0503","0.0486","","","0.1401","0.1429","","","","","","1.083","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1550097","25.1179","0.0007","25.1179","0.0007","7.6702","0.0005","90","","90","","90","","4839.2","0.4","273","2","273.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","POS-1 273K","","- C41 H40 N8 O12 S4 -","- C164 H160 N32 O48 S16 -","- C164 H160 N32 O48 S16 -","1","0.0625","","Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina","Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics","Chemical Science","2019","","","","","10.1039/C8SC04376K","","","0.71073","MoKα","","0.128","0.0936","","","0.2728","0.31","","","","","","1.153","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1550098","10.6996","0.0003","11.6143","0.0004","11.6936","0.0004","73.834","0.0008","68.49","0.0008","74.621","0.0009","1276.66","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 Cl2 N10 O8 Pd -","- C52 H58 Cl2 N10 O8 Pd -","- C52 H58 Cl2 N10 O8 Pd -","1","0.5","","Kartha, Kalathil K.; Allampally, Naveen Kumar; Politi, Antiope T.; Prabhu, Deepak Dayanandan; Ouchi, Hayato; Albuquerque, Rodrigo Q.; Yagai, Shiki; Fernandez, Gustavo","Influence of Metal Coordination and Light Irradiation on Hierarchical Self-Assembly Processes","Chemical Science","2019","","","","","10.1039/C8SC03875A","","","1.54178","CuKα","","0.03","0.0299","","","0.079","0.0791","","","","","","1.051","","","","has coordinates","211643","2020-10-21","18:00:00",""
"1550126","23.5257","0.0001","23.5257","0.0001","23.5257","0.0001","90","","90","","90","","13020.5","0.1","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O68 Rh4 S12 Zn4 -","- C36 H60 K5.9996 N12 O67.9993 Rh4 S12 Zn4 -","- C144 H240 K23.9984 N48 O271.997 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.6","","","0.0581","0.0575","","","0.1502","0.1513","","","","","","1.103","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550127","23.574","0.007","23.574","0.007","23.574","0.007","90","","90","","90","","13101","7","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 N12 Na O79 Rh4 S12 Zn4 -","- C36 H60 N12 Na0.9999 O79 Rh4 S12 Zn4 -","- C144 H240 N48 Na3.9996 O316 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.7009","synchrotron","","0.1254","0.1054","","","0.2571","0.282","","","","","","1.064","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550128","23.55","0.003","23.55","0.003","23.55","0.003","90","","90","","90","","13061","3","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 N12 O77.5 Rh4 S12 Zn4 -","- C36 H60 N12 O77.4999 Rh4 S12 Zn4 -","- C144 H240 N48 O310 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.701","synchrotron","","0.0773","0.0599","","","0.148","0.1603","","","","","","1.044","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550131","5.5263","0.0001","7.588","0.0002","31.5641","0.0006","90","","90","","90","","1323.6","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0334","0.033","","","0.0866","0.0869","","","","","","1.069","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550132","22.7253","0.0004","22.7253","0.0004","7.5782","0.0002","90","","90","","90","","3913.68","0.14","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C11 H16 O -","- C11 H16 O -","- C176 H256 O16 -","16","","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1395","0.1431","","","","","","1.081","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550133","7.4736","0.0001","20.0163","0.0002","8.2616","0.0001","90","","113.345","0.002","90","","1134.71","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C48 H64 O16 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","1.54184","CuKα","","0.0408","0.0396","","","0.1091","0.1098","","","","","","1.102","","","","has coordinates,has disorder","211694","2020-10-21","18:00:00",""
"1550134","26.8452","0.0002","26.8452","0.0002","11.2309","0.0001","90","","90","","120","","7009.36","0.1","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H18 F2 O -","- C19 H18 F2 O -","- C342 H324 F36 O18 -","18","","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0463","0.0447","","","0.1205","0.1217","","","","","","1.059","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550135","11.1125","0.0004","8.0779","0.0003","13.1558","0.0005","90","","98.011","0.002","90","","1169.41","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O9 -","- C24 H32 O9 -","- C48 H64 O18 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","0.71073","MoKα","","0.0321","0.0305","","","0.0805","0.0821","","","","","","1.064","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550136","8.032","0.0003","6.3518","0.0002","16.1371","0.0006","90","","93.7797","0.0015","90","","821.49","0.05","100","2","99.97","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","","1.54178","CuKα","","0.0249","0.0243","","","0.0616","0.062","","","","","","1.0956","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550137","15.868","0.003","19.123","0.004","26.124","0.005","82.02","0.03","87.25","0.03","89.73","0.03","7841","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","CdSDCTzTz","","","- C128 H72 Cd4 N16 O16 S8 Se4 -","- C127 H69 Cd4 N16 O16 S8 Se4 -","- C254 H138 Cd8 N32 O32 S16 Se8 -","2","1","","Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle","Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units","Chemical Science","2019","","","","","10.1039/C8SC01128A","","","0.71073","Synchrotron","","0.1524","0.1233","","","0.3461","0.3616","","","","","","1.335","","","","has coordinates","211695","2020-10-21","18:00:00",""
"1550138","25.811","0.005","18.453","0.004","15.943","0.003","90","","90.91","0.03","90","","7593","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ZnSDCTzTz","","","- C64 H36 N8 O8 S4 Se2 Zn2 -","- C64 H36 N8 O8 S4 Se2 Zn2 -","- C256 H144 N32 O32 S16 Se8 Zn8 -","4","1","","Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle","Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units","Chemical Science","2019","","","","","10.1039/C8SC01128A","","","0.71073","Synchrotron","","0.0963","0.0589","","","0.1427","0.1572","","","","","","0.958","","","","has coordinates,has disorder","211695","2020-10-21","18:00:00",""
"1550149","14.1464","0.0003","13.3562","0.0004","25.4313","0.0007","90","","103.789","0.002","90","","4666.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 Cl3 Co F6 Ni P3 S2 -","- C40 H47 Cl3 Co F6 Ni P3 S2 -","- C160 H188 Cl12 Co4 F24 Ni4 P12 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","","1.54184","CuKα","","0.1301","0.0956","","","0.2144","0.2377","","","","","","1.067","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550150","10.9745","0.0005","13.331","0.0006","17.0646","0.0008","78.527","0.004","79.83","0.004","69.506","0.004","2276.23","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H49 B Cl4 Co F4 Ni P2 S2 -","- C41 H50 B Cl4 Co F4 Ni P2 S2 -","- C82 H100 B2 Cl8 Co2 F8 Ni2 P4 S4 -","2","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","","1.54184","CuKα","","0.0874","0.0715","","","0.1854","0.2049","","","","","","1.061","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550151","12.9111","0.0002","20.1158","0.0004","16.543","0.0003","90","","99.543","0.002","90","","4237.04","0.13","192.99","0.1","192.99","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 B Cl2 Co F4 Ni P2 S2 -","- C40 H47 B Cl2 Co F4 Ni P2 S2 -","- C160 H188 B4 Cl8 Co4 F16 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","x-ray","1.54184","CuKα","","0.085","0.0673","","","0.1677","0.1838","","","","","","1.026","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550152","12.4735","0.00019","15.403","0.0002","19.4262","0.0003","90","","106.452","0.0017","90","","3579.53","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Co Ni P2 S2 -","- C39 H45 Co Ni P2 S2 -","- C156 H180 Co4 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","","1.54184","CuKα","","0.0432","0.037","","","0.0881","0.0926","","","","","","1.038","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550153","21.9622","0.0009","11.6996","0.0004","20.9046","0.0007","90","","90","","90","","5371.4","0.3","172.99","0.1","172.99","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H60 B2 Co F8 N5 Ni P2 S2 -","- C49 H60 B2 Co F8 N5 Ni P2 S2 -","- C196 H240 B8 Co4 F32 N20 Ni4 P8 S8 -","4","1","","Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho","Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction","Chemical Science","2019","","","","","10.1039/C8SC04346A","","x-ray","0.71","MoKα","","0.0417","0.0354","","","0.0822","0.0852","","","","","","1.04","","","","has coordinates","211709","2020-10-21","18:00:00",""
"1550154","23.1698","0.0006","13.7779","0.0004","18.0308","0.0004","90","","93.776","0.001","90","","5743.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Lu2@Td-C76 Ni(OEP)","Lu2@Td-C76 Ni(OEP)","","- C124 H56 Lu2 N4 Ni S0 -","- C124 H56 Lu2 N4 Ni -","- C496 H224 Lu8 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.0937","0.0921","","","0.2396","0.2408","","","","","","1.063","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550155","25.274","0.005","14.939","0.005","19.653","0.005","90","0.005","93.796","0.005","90","0.005","7404","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@D3h-C78 Ni(OEP)","Lu2@D3h-C78 Ni(OEP)","","- C126 H56 Lu2 N4 Ni -","- C126 H56 Lu1.9999 N4 Ni -","- C504 H224 Lu7.9996 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.0997","0.0928","","","0.2724","0.2807","","","","","","1.055","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550156","25.41","0.005","15.11","0.005","19.917","0.005","90","0.005","94.51","0.005","90","0.005","7623","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C84 Ni(OEP)","Lu2@C2v-C84 Ni(OEP)","","- C126 H50 Lu2 N4 Ni -","- C126 H50 Lu2.0001 N4 Ni -","- C504 H200 Lu8.0004 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.089","0.0818","","","0.2353","0.2438","","","","","","1.068","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550157","14.604","0.005","15.012","0.005","19.852","0.005","85.556","0.005","88.966","0.005","62.445","0.005","3846","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Lu2C2@C2v-C86 Ni(OEP)","Lu2C2@C2v-C86 Ni(OEP)","","- C130 H50 Lu2 N4 Ni -","- C130 H50 Lu2.0001 N4 Ni -","- C260 H100 Lu4.0002 N8 Ni2 -","2","1","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.71069","MoKα","","0.1157","0.1047","","","0.2705","0.2816","","","","","","1.058","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550158","14.749","0.005","15.029","0.005","19.899","0.005","84.624","0.005","88.62","0.005","62.644","0.005","3899","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Lu2C2@Cs-C88 Ni(OEP)","Lu2C2@Cs-C88 Ni(OEP)","","- C136 H53.6 Lu2 N4 Ni S0.8 -","- C136 H53.6 Lu1.9999 N4 Ni S0.8 -","- C272 H107.2 Lu3.9998 N8 Ni2 S1.6 -","2","1","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.0991","0.0916","","","0.254","0.2637","","","","","","1.039","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550159","24.454","0.005","18.039","0.005","22.303","0.005","90","0.005","101.767","0.005","90","0.005","9632","4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@Cs(8)-C86 Ni(OEP)","Lu2@Cs(8)-C86 Ni(OEP)","","- C292 H144 Lu4 N12 Ni3 -","- C292 H144 Lu3.9998 N12 Ni3 -","- C584 H288 Lu7.9996 N24 Ni6 -","2","0.25","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.71069","MoKα","","0.1807","0.1332","","","0.2687","0.2976","","","","","","1.014","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550160","25.186","0.005","15.099","0.005","19.694","0.005","90","","94.158","0.005","90","","7470","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C80 Ni(OEP)","Lu2@C2v-C80 Ni(OEP)","","- C128 H56 Lu2 N4 Ni -","- C128 H56 Lu1.9997 N4 Ni -","- C512 H224 Lu7.9988 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.1238","0.1125","","","0.2978","0.3111","","","","","","1.036","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550161","24.634","0.005","17.744","0.005","23.328","0.005","90","0.005","103.22","0.005","90","0.005","9927","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu3N@D2-C88 Ni(OEP)","Lu3N@D2-C88 Ni(OEP)","","- C296 H144 Lu6 N14 Ni3 -","- C296 H144 Lu5.9994 N14 Ni3 -","- C592 H288 Lu11.9988 N28 Ni6 -","2","0.25","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.1766","0.1516","","","0.3278","0.3417","","","","","","1.066","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550162","24.121","0.005","18.19","0.005","18.497","0.005","90","0.005","90.466","0.005","90","0.005","8115","4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Lu2@C1-C88 Ni(OEP)","Lu2@C1-C88 Ni(OEP)","","- C136 H56 Lu2 N4 Ni S0 -","- C136 H56 Lu2.0001 N4 Ni -","- C544 H224 Lu8.0004 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.6525","synchrotron","","0.074","0.0586","","","0.137","0.153","","","","","","1.042","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550163","24.149","0.005","18.02","0.005","18.486","0.005","90","","90.22","0.005","90","","8044","4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@Cs(15)-C86 Ni(OEP)","Lu2@Cs(15)-C86 Ni(OEP)","","- C134 H56 Lu2 N4 Ni -","- C134 H56 Lu2 N4 Ni -","- C536 H224 Lu8 N16 Ni4 -","4","0.5","","Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi","Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size","Chemical Science","2019","","","","","10.1039/C8SC03886D","","","0.71069","MoKα","","0.0907","0.0787","","","0.22","0.2352","","","","","","1.022","","","","has coordinates,has disorder","211710","2020-10-21","18:00:00",""
"1550164","11.0254","0.0004","11.0254","0.0004","10.3961","0.0009","90","","90","","90","","1263.74","0.13","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- B4.09 Ba4 Bi2 O29 Si7.91 -","- B4.092 Ba4 Bi2 O29 Si7.908 -","- B8.184 Ba8 Bi4 O58 Si15.816 -","2","0.125","","Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao","Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material","Chemical Science","2019","","","","","10.1039/C8SC04342F","","","0.71073","MoKα","","0.0177","0.0169","","","0.0329","0.0333","","","","","","1.036","","","","has coordinates","211728","2020-10-21","18:00:00",""
"1550165","7.70304","0.00011","11.49824","0.00016","26.9058","0.0004","90","","90","","90","","2383.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Ir O2 Si -","- C25 H39 Ir O2 Si -","- C100 H156 Ir4 O8 Si4 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0223","0.0205","","","0.0366","0.0374","","","","","","1.042","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550166","10.8334","0.0002","8.23239","0.00014","22.2298","0.0004","90","","98.0838","0.0017","90","","1962.86","0.06","100","0.1","100","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C22 H31 Ir O2 -","- C22 H31 Ir O2 -","- C88 H124 Ir4 O8 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0247","0.0235","","","0.0488","0.0497","","","","","","1.042","","","","has coordinates,has disorder","211729","2020-10-21","18:00:00",""
"1550167","7.53335","0.00013","10.27117","0.00014","22.6089","0.0003","90","","90","","90","","1749.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 Si -","- C17 H28 O2 Si -","- C68 H112 O8 Si4 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0567","0.0569","","","","","","1.058","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550168","10.1531","0.0002","14.0965","0.0003","23.1228","0.0006","90","","102.019","0.002","90","","3236.86","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 Ir O2 Si -","- C40 H43 Ir O2 Si -","- C160 H172 Ir4 O8 Si4 -","4","2","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0448","0.0409","","","0.0881","0.0912","","","","","","1.052","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550174","9.0397","0.0008","12.5823","0.0011","12.8196","0.0011","86.214","0.002","73.428","0.002","72.357","0.002","1331.5","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N3 O2 -","- C33 H33 N3 O2 -","- C66 H66 N6 O4 -","2","1","","Das, Dipankar; Alam, Rabiul; Katarkar, Atul; Ali, Mahammad","A differentially selective probe for trivalent chemosensor upon single excitation with cell imaging application: potential applications in combinatorial logic circuit and memory devices.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","1","242","252","10.1039/c8pp00381e","","","0.71073","MoKα","","0.0684","0.0527","","","0.1388","0.1522","","","","","","1.053","","","","has coordinates","225316","2020-10-21","18:00:00",""
"1550175","7.9225","0.0003","12.5631","0.0006","14.0398","0.0005","114.96","0.004","94.483","0.003","104.346","0.004","1200.53","0.1","150.03","0.1","150","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Ba N O10 -","- C25 H21 Ba N O10 -","- C50 H42 Ba2 N2 O20 -","2","1","","Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin","Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups","Chemical Science","2019","","","","","10.1039/C8SC03022G","","","0.71073","MoKα","","0.0374","0.0336","","","0.0832","0.0865","","","","","","1.057","","","","has coordinates","211769","2020-10-21","18:00:00",""
"1550176","9.3111","0.0003","12.4288","0.0004","14.3649","0.0004","83.592","0.002","85.579","0.002","82.416","0.002","1634.27","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H31.5 Ba2 N0.5 O19.5 -","- C24.5 H31.5 Ba2 N0.5 O19.5 -","- C49 H63 Ba4 N O39 -","2","1","","Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin","Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups","Chemical Science","2019","","","","","10.1039/C8SC03022G","","","0.6889","","","0.0626","0.0529","","","0.154","0.1605","","","","","","1.124","","","","has coordinates,has disorder","211769","2020-10-21","18:00:00",""
"1550177","11.44352","0.00015","17.2735","0.0002","14.1871","0.0002","90","","92.302","0.0013","90","","2802.1","0.06","120.03","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H25.5 Ba2 N1.5 O11 -","- C26.5 H25.5 Ba2 N1.5 O11 -","- C106 H102 Ba8 N6 O44 -","4","1","","Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin","Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups","Chemical Science","2019","","","","","10.1039/C8SC03022G","","","1.54184","CuKα","","0.0455","0.044","","","0.1151","0.1169","","","","","","1.066","","","","has coordinates,has disorder","211769","2020-10-21","18:00:00",""
"1550178","8.2597","0.0003","10.958","0.0005","12.6335","0.0006","66.777","0.005","75.242","0.004","70.583","0.004","980.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl2 N2 Ru -","- C20 H24 Cl2 N2 Ru -","- C40 H48 Cl4 N4 Ru2 -","2","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0343","0.0285","","","0.0636","0.0661","","","","","","1.033","","","","has coordinates","211770","2020-10-21","18:00:00",""
"1550179","9.3201","0.0004","15.1082","0.0007","17.7752","0.0009","110.273","0.0015","96.128","0.0015","106.322","0.0015","2194.55","0.18","101","","101.2","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","1","0.5","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0321","0.0276","","","0.0641","0.0687","","","","","","1.084","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550180","13.4659","0.001","14.5842","0.0012","17.9402","0.0014","83.467","0.003","80.563","0.002","79.39","0.003","3403.4","0.5","109","2","108.8","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N2 Ru2 -","- C42 H40 N2 Ru2 -","- C168 H160 N8 Ru8 -","4","2","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0377","0.0255","","","0.0538","0.0578","","","","","","1.029","","","","has coordinates","211770","2020-10-21","18:00:00",""
"1550181","13.8109","0.0008","28.5059","0.0014","19.585","0.001","90","","91.4431","0.0019","90","","7708","0.7","102","","101.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H107.92 K2 N2 O16 Ru2 -","- C76 H107.934 K2 N2 O16 Ru2 -","- C304 H431.736 K8 N8 O64 Ru8 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0613","0.0529","","","0.1375","0.1447","","","","","","1.08","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550182","21.316","0.004","29.316","0.006","12.6238","0.0019","90","","90","","90","","7889","2","109","2","108.9","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[3-H(OTf)]","","- C42.94 H37 F3 N2 O4.5 Ru2 S -","- C42.9405 H37 F3 N2 O4.5 Ru2 S -","- C343.524 H296 F24 N16 O36 Ru16 S8 -","8","2","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi","Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0252","0.0221","","","0.0495","0.0509","","","","","","1.0574","","","","has coordinates,has disorder","211770","2020-10-21","18:00:00",""
"1550185","9.613","0.0007","10.3609","0.0007","15.3479","0.001","90","","93.156","0.003","90","","1526.32","0.18","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NiSPh","","- C14.4 H23.21 N2 Ni S2 -","- C14.408 H23.224 N2 Ni S2 -","- C57.632 H92.896 N8 Ni4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0629","0.0603","","","0.133","0.1343","","","","","","1.065","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550186","8.3021","0.0014","16.204","0.003","11.629","0.0017","90","","107.667","0.01","90","","1490.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 Ni S Se -","- C14 H22 N2 Ni S Se -","- C56 H88 N8 Ni4 S4 Se4 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54184","CuKα","","0.0418","0.0332","","","0.0774","0.0809","","","","","","1.073","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550187","11.436","0.0015","11.886","0.003","12.406","0.0017","108.489","0.008","114.188","0.005","103.182","0.009","1328.1","0.5","100","","100","","","","","","","","","11","P -1","-P 1","2","","","","- C21 H30 B Cl2 F4 Fe N2 Ni O2 S Se -","- C21 H29 B Cl2 F4 Fe N2 Ni O2 S Se -","- C42 H58 B2 Cl4 F8 Fe2 N4 Ni2 O4 S2 Se2 -","2","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54184","CuKα","","0.033","0.0306","","","0.0734","0.075","","","","","","1.02","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550188","8.7518","0.0002","21.0078","0.0006","13.1915","0.0004","90","","104.227","0.001","90","","2350.95","0.11","100","","100.02","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 B F4 Fe N2 Ni O S Se -","- C20 H27 B F4 Fe N2 Ni O S Se -","- C80 H108 B4 F16 Fe4 N8 Ni4 O4 S4 Se4 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0535","0.051","","","0.1267","0.1287","","","","","","1.06","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550189","16.309","0.0005","11.4239","0.0004","24.8441","0.0008","90","","90","","90","","4628.8","0.3","100","","100.02","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B F4 Fe N2 Ni O S Se -","- C20 H27 B F4 Fe N2 Ni O S Se -","- C160 H216 B8 F32 Fe8 N16 Ni8 O8 S8 Se8 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.056","0.055","","","0.1969","0.1976","","","","","","1.143","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550190","16.2504","0.0006","11.3127","0.0004","24.8851","0.0008","90","","90","","90","","4574.8","0.3","100","2","99.98","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 -","- C20 H27 B0.783 Cl0.217 F3.132 Fe N2 Ni O S2 -","- C160 H216 B6.264 Cl1.736 F25.056 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0676","0.0626","","","0.1586","0.1619","","","","","","1.18","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550191","11.6597","0.0007","16.9613","0.0011","12.2584","0.0008","90","","116.63","0.002","90","","2167.1","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C52 H56 Co N5 Ni -","- C52 H56 Co N5 Ni -","- C104 H112 Co2 N10 Ni2 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0623","0.0595","","","0.1545","0.1575","","","","","","1.07","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550192","28.6944","0.0017","7.3064","0.0005","28.2539","0.0017","90","","113.099","0.002","90","","5448.6","0.6","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C135 H111 N20 Ni4 -","- C135 H111 N20 Ni4 -","- C270 H222 N40 Ni8 -","2","0.5","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.051","0.0378","","","0.071","0.0752","","","","","","1.031","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550193","11.8068","0.0014","13.0124","0.0015","13.3226","0.0015","71.802","0.003","84.699","0.004","79.232","0.004","1908.9","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 N6 Ni O2 -","- C45 H48 N6 Ni O2 -","- C90 H96 N12 Ni2 O4 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0978","0.0513","","","0.0918","0.1054","","","","","","1.019","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550194","10.8266","0.0007","12.1078","0.0008","12.8979","0.0008","91.267","0.002","114.454","0.002","93.084","0.002","1535.01","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 N6 Ni -","- C37 H31 N6 Ni -","- C74 H62 N12 Ni2 -","2","1","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","","0.71073","MoKα","","0.0365","0.031","","","0.0737","0.0763","","","","","","1.044","","","","has coordinates","211811","2020-10-21","18:00:00",""
"1550195","12.0657","0.0016","23.067","0.003","23.079","0.003","76.493","0.003","81.913","0.003","81.444","0.003","6138.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 N10 Ni2 O -","- C64 H54 N10 Ni2 O -","- C256 H216 N40 Ni8 O4 -","4","2","","Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S.","Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex","Chemical Science","2019","","","","","10.1039/C8SC03719A","","x-ray","0.41328","synchrotron","","0.0866","0.068","","","0.1575","0.168","","","","","","1.094","","","","has coordinates,has disorder","211811","2020-10-21","18:00:00",""
"1550196","11.4046","0.0007","12.5476","0.0008","13.4127","0.0009","93.108","0.002","94.573","0.002","98.46","0.002","1888.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Cl2 Fe7 N52 O8 -","- C32 H48 Cl2 Fe7 N52 O8 -","- C32 H48 Cl2 Fe7 N52 O8 -","1","0.5","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Stamatatos, Theocharis; Dunbar, Kim R.","Rare “Janus”-Faced {FeII7} Single-Molecule Magnet Exhibiting Intramolecular Ferromagnetic Interactions","Chemical Science","2019","","","","","10.1039/C8SC04384A","","x-ray","0.71073","MoKα","","0.06","0.0404","","","0.0833","0.0925","","","","","","1.084","","","","has coordinates,has disorder","211812","2020-10-21","18:00:00",""
"1550201","10.299","0.001","15.4938","0.0016","17.3672","0.0017","90","","90","","90","","2771.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N Sc Si2 -","- C27 H36 N Sc Si2 -","- C108 H144 N4 Sc4 Si8 -","4","1","","Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei","Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes","Polymer Chemistry","2019","10","2","235","","10.1039/C8PY01326H","","","0.71073","MoKα","","0.1635","0.0854","","","0.1198","0.145","","","","","","1.034","","","","has coordinates","225340","2020-10-21","18:00:00",""
"1550202","25.5741","0.0016","26.2813","0.0017","24.8077","0.0018","90","","110.412","0.002","90","","15626.8","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H158 Ag10 N70 O60 -","- C100 H138 Ag10 N68 O44 -","- C400 H552 Ag40 N272 O176 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71073","MoKα","","0.1623","0.0756","","","0.1662","0.216","","","","","","1.016","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550203","21.799","0.0011","22.6096","0.0015","26.0615","0.0017","90","","90","","90","","12844.8","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C80 H112 Ag8 B8 F32 N48 O16 -","- C80 H112 Ag8 B6 F24 N48 O16 -","- C320 H448 Ag32 B24 F96 N192 O64 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71069","MoKα","","0.0516","0.0377","","","0.067","0.0718","","","","","","1.01","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550204","21.9528","0.0019","22.8449","0.0016","26.174","0.002","90","","90","","90","","13126.5","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H112 Ag8 Cl8 N48 O48 -","- C80 H112 Ag8 Cl7 N48 O44 -","- C320 H448 Ag32 Cl28 N192 O176 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71069","MoKα","","0.1115","0.0767","","","0.1857","0.2051","","","","","","1.095","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550206","15.0424","0.0008","9.2398","0.0004","8.5756","0.0005","90","","106.155","0.003","90","","1144.85","0.1","273","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C20 H56 I8 N4 Pb2 -","2","0.5","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.036","0.0314","","","0.0713","0.0724","","","","","","1.27","","","","has coordinates","211871","2020-10-21","18:00:00",""
"1550207","8.9353","0.0002","8.9353","0.0002","24.9636","0.0013","90","","90","","90","","1993.08","0.12","293","2","293","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C8 H26 I4 N2 Pb -","- C8 H26 I4 N2 Pb -","- C32 H104 I16 N8 Pb4 -","4","","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0627","0.0609","","","0.2229","0.2263","","","","","","1.145","","","","has coordinates,has disorder","211871","2020-10-21","18:00:00",""
"1550208","18.6958","0.0007","8.8497","0.0003","8.8421","0.0003","90","","95.3669","0.0012","90","","1456.53","0.09","273","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C32 H80 I8 N4 Pb2 -","2","0.5","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0408","0.0285","","","0.0685","0.0735","","","","","","1.03","","","","has coordinates","211871","2020-10-21","18:00:00",""
"1550209","17.4586","0.0005","9.2513","0.0003","8.5864","0.0003","90","","103.223","0.001","90","","1350.06","0.08","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C28 H72 I8 N4 Pb2 -","2","0.5","","Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B.","Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching","Chemical Science","2019","","","","","10.1039/C8SC03863E","","","0.71073","MoKα","","0.0283","0.0226","","","0.0594","0.0621","","","","","","1.154","","","","has coordinates","211871","2020-10-21","18:00:00",""
"1550210","5.3887","0.0003","13.7558","0.0008","14.4712","0.0008","90","","91.531","0.003","90","","1072.31","0.1","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 B F2 N O4 -","- C25 H22 B F2 N O4 -","- C50 H44 B2 F4 N2 O8 -","2","1","","Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi","Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters","Chemical Science","2019","","","","","10.1039/C8SC04026E","","x-ray","1.54178","CuKα","","0.0303","0.0288","","","0.0718","0.0725","","","","","","1.042","","","","has coordinates","211872","2020-10-21","18:00:00",""
"1550211","10.235","0.002","10.796","0.002","20.224","0.005","92.916","0.007","103.825","0.007","90.9","0.006","2166.2","0.8","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C23 H26 B F2 N O4 -","- C23 H26 B F2 N O4 -","- C92 H104 B4 F8 N4 O16 -","4","4","","Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi","Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters","Chemical Science","2019","","","","","10.1039/C8SC04026E","","","0.71075","MoKα","","0.2796","0.1338","","","0.3003","0.3931","","","","","","0.956","","","","has coordinates","211872","2020-10-21","18:00:00",""
"1550212","19.6381","0.0009","12.631","0.0006","19.6354","0.0009","90","","119.994","0.002","90","","4218.3","0.3","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C69.5 H32 N2 O36 Zr6 -","- C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 -","- C69.4732 H31.9968 N2.0004 O35.9976 Zr5.9994 -","1","0.25","","Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K.","Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization","Chemical Science","2019","","","","","10.1039/C8SC04220A","","","1.54178","CuKα","","0.132","0.1254","","","0.3343","0.3384","","","","","","1.166","","","","has coordinates,has disorder","211873","2020-10-21","18:00:00",""
"1550213","39.5745","0.0012","39.5745","0.0012","12.1936","0.0004","90","","90","","120","","16538.4","0.9","200","2","200.07","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C69 H32 Br4 O32 Zr6 -","- C69 H32 Br4 O32 Zr6 -","- C207 H96 Br12 O96 Zr18 -","3","0.125","","Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K.","Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization","Chemical Science","2019","","","","","10.1039/C8SC04220A","","x-ray","0.71073","MoKα","","0.051","0.0445","","","0.1435","0.1492","","","","","","1.076","","","","has coordinates","211873","2020-10-21","18:00:00",""
"1550214","13.4757","0.0015","21.712","0.002","25.061","0.003","95.195","0.003","102.214","0.002","97.097","0.003","7059.9","1.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holma07","bis(diketiminate-cobalt(II))(mu-oxo)","","- C70 H106 Co2 N4 O -","- C70 H106 Co2 N4 O -","- C280 H424 Co8 N16 O4 -","4","2","","Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.","Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate","Chemical Science","2019","","","","","10.1039/C8SC02599A","","","0.71073","MoKα","","0.1348","0.0745","","","0.1714","0.196","","","","","","0.918","","","","has coordinates,has disorder","211874","2020-10-21","18:00:00",""
"1550215","20.919","0.002","28.234","0.003","24.42","0.003","90","","114.237","0.002","90","","13152","2","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","holma06","bis(diketiminate-cobalt(II))(mu-carbonato)","","- C71 H106 Co2 N4 O3 -","- C71 H106 Co2 N4 O3 -","- C568 H848 Co16 N32 O24 -","8","2","","Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L.","Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate","Chemical Science","2019","","","","","10.1039/C8SC02599A","","","0.71073","MoKα","","0.1182","0.0603","","","0.1053","0.126","","","","","","0.973","","","","has coordinates,has disorder","211874","2020-10-21","18:00:00",""
"1550218","10.066","0.002","11.5","0.002","12.806","0.003","67.91","0.03","88.31","0.03","67.8","0.03","1260.8","0.6","210","2","210","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 D24 Mo2 O12 S4 -","- C44 H36 D24 Mo2 O12 S4 -","- C44 H36 D24 Mo2 O12 S4 -","1","0.5","","Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.","M24+ paddlewheel clusters as junction points in single-chain nanoparticles","Polymer Chemistry","2019","10","1","86","","10.1039/C8PY01486H","","x-ray","0.71073","MoKα","","0.0311","0.0257","","","0.0632","0.0642","","","","","","0.965","","","","has coordinates,has disorder","225336","2020-10-21","18:00:00",""
"1550219","14.0648","0.0004","22.4851","0.0005","15.6445","0.0003","90","","90","","90","","4947.5","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H60 Cu2 O12 S4 -","- C44 H60 Cu2 O12 S4 -","- C176 H240 Cu8 O48 S16 -","4","1","","Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.","M24+ paddlewheel clusters as junction points in single-chain nanoparticles","Polymer Chemistry","2019","10","1","86","","10.1039/C8PY01486H","","x-ray","0.71073","MoKα","","0.0712","0.0509","","","0.1164","0.1256","","","","","","1.021","","","","has coordinates","225336","2020-10-21","18:00:00",""
"1550220","6.2744","0.0003","14.5625","0.0009","15.6489","0.0007","90","","90","","90","","1429.85","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.0725","0.0421","","","0.0838","0.0994","","","","","","1.111","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550221","21.9831","0.0015","13.325","0.0011","16.5868","0.0014","90","","112.177","0.002","90","","4499.3","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","2","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.1198","0.0899","","","0.2224","0.2619","","","","","","1.08","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550222","7.5024","0.0014","9.4863","0.0017","15.949","0.003","93.783","0.005","95.871","0.005","109.707","0.005","1056.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N2 O2 -","- C27 H28 N2 O2 -","- C54 H56 N4 O4 -","2","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.0505","0.0421","","","0.102","0.1087","","","","","","1.034","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550223","9.3848","0.0005","17.3334","0.0008","12.7967","0.0006","90","","94.091","0.002","90","","2076.34","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N2 O -","- C27 H25 N2 O -","- C108 H100 N8 O4 -","4","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.07","0.0481","","","0.1155","0.1274","","","","","","1.02","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550224","17.2292","0.0004","21.1408","0.0004","24.5871","0.0004","90","","92.4269","0.0016","90","","8947.5","0.3","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H140 K4 N4 O8 Si4 -","- C80 H140 K4 N4 O8 Si4 -","- C320 H560 K16 N16 O32 Si16 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","0.71073","MoKα","","0.0642","0.0425","","","0.1008","0.1123","","","","","","1.051","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550225","11.7068","0.0004","13.9065","0.0004","14.2431","0.0004","93.271","0.002","99.115","0.002","95.176","0.002","2274.16","0.12","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H140 K4 N4 O14 Si4 -","- C80 H140 K4 N4 O14 Si4 -","- C80 H140 K4 N4 O14 Si4 -","1","0.5","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0604","0.0463","","","0.1165","0.1262","","","","","","1.001","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550226","18.8952","0.0004","13.1861","0.0002","27.8641","0.0005","90","","100.042","0.0019","90","","6836.1","0.2","119.99","0.1","119.99","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C28 H46 Cl2 In K N2 O Si2 -","- C28 H46 Cl2 In K N2 O Si2 -","- C224 H368 Cl16 In8 K8 N16 O8 Si16 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0277","0.0248","","","0.0648","0.0668","","","","","","1.012","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550227","18.7078","0.0002","13.15883","0.00013","30.1739","0.0004","90","","101.73","0.0012","90","","7272.86","0.15","120","0.1","120","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C31 H49 Cl2 In K N2 O Si2 -","- C31 H49 Cl2 In K N2 O Si2 -","- C248 H392 Cl16 In8 K8 N16 O8 Si16 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0252","0.0248","","","0.0649","0.0652","","","","","","1.073","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550228","10.0422","0.0004","11.962","0.0006","17.7445","0.001","93.171","0.004","96.478","0.004","92.102","0.004","2112.72","0.18","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 K2 N2 O3 Si2 -","- C36 H66 K2 N2 O3 Si2 -","- C72 H132 K4 N4 O6 Si4 -","2","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","0.71073","MoKα","","0.1066","0.0646","","","0.1375","0.1593","","","","","","1.023","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550229","23.2852","0.0003","17.27697","0.00018","36.472","0.0005","90","","108.506","0.0014","90","","13913.9","0.3","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 In2 K2 N4 O2 Si4 -","- C59 H99 In2 K2 N4 O2 Si4 -","- C472 H792 In16 K16 N32 O16 Si32 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0464","0.0426","","","0.1034","0.1065","","","","","","1.081","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550230","12.5559","0.0004","13.5443","0.0003","18.8336","0.0004","75.5576","0.0018","81.034","0.002","80.79","0.002","3039.06","0.14","119.99","0.1","119.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H93 In K N5 O7 Si2 -","- C55 H93 In K N5 O7 Si2 -","- C110 H186 In2 K2 N10 O14 Si4 -","2","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0322","0.0302","","","0.0756","0.077","","","","","","1.012","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550231","23.6145","0.0004","17.0543","0.0003","25.7456","0.0004","90","","97.4553","0.0014","90","","10280.8","0.3","119.99","0.1","119.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H146 In2 K2 N6 O2 Si4 -","- C102 H146 In2 K2 N6 O2 Si4 -","- C408 H584 In8 K8 N24 O8 Si16 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0511","0.0374","","","0.0877","0.095","","","","","","1.009","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550232","12.6009","0.00007","25.6091","0.00015","19.60255","0.00011","90","","91.8549","0.0005","90","","6322.38","0.06","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H87 In K N3 O Si2 -","- C71 H87 In K N3 O Si2 -","- C284 H348 In4 K4 N12 O4 Si8 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0276","0.0263","","","0.0647","0.0655","","","","","","1","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550233","14.16789","0.00017","26.894","0.0003","19.8817","0.0002","90","","103.597","0.0011","90","","7363.24","0.15","120.02","0.1","120.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H108 In K N6 O7 Si2 -","- C72 H108 In K N6 O7 Si2 -","- C288 H432 In4 K4 N24 O28 Si8 -","4","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0371","0.0355","","","0.0857","0.0866","","","","","","1.126","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550234","17.0589","0.0004","18.1114","0.0006","18.1867","0.0004","69.847","0.002","89.715","0.002","79.713","0.002","5180.4","0.3","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C94 H148 In2 K2 N12 O2 Si6 -","- C80 H132 In2 K2 N12 O2 Si6 -","- C160 H264 In4 K4 N24 O4 Si12 -","2","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.093","0.0765","","","0.1973","0.208","","","","","","1.058","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550235","31.129","0.0008","12.5964","0.0003","30.835","0.0012","90","","102.941","0.003","90","","11783.7","0.6","119.97","0.11","119.97","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H168 In2 K2 N12 O2 Si4 -","- C120 H168 In2 K2 N12 O2 Si4 -","- C480 H672 In8 K8 N48 O8 Si16 -","4","0.5","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","0.71073","MoKα","","0.0984","0.0705","","","0.1175","0.1263","","","","","","1.174","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550238","8.2597","0.0003","10.958","0.0005","12.6335","0.0006","66.777","0.005","75.242","0.004","70.583","0.004","980.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl2 N2 Ru -","- C20 H24 Cl2 N2 Ru -","- C40 H48 Cl4 N4 Ru2 -","2","1","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0343","0.0285","","","0.0636","0.0661","","","","","","1.033","","","","has coordinates","211982","2020-10-21","18:00:00",""
"1550239","9.3201","0.0004","15.1082","0.0007","17.7752","0.0009","110.273","0.0015","96.128","0.0015","106.322","0.0015","2194.55","0.18","101","","101.2","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","- C100 H121 K N4 O10 Ru4 -","1","0.5","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0321","0.0276","","","0.0641","0.0687","","","","","","1.084","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550240","13.4659","0.001","14.5842","0.0012","17.9402","0.0014","83.467","0.003","80.563","0.002","79.39","0.003","3403.4","0.5","109","2","108.8","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N2 Ru2 -","- C42 H40 N2 Ru2 -","- C168 H160 N8 Ru8 -","4","2","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0377","0.0255","","","0.0538","0.0578","","","","","","1.029","","","","has coordinates","211982","2020-10-21","18:00:00",""
"1550241","13.8109","0.0008","28.5059","0.0014","19.585","0.001","90","","91.4431","0.0019","90","","7708","0.7","102","","101.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H107.92 K2 N2 O16 Ru2 -","- C76 H107.934 K2 N2 O16 Ru2 -","- C304 H431.736 K8 N8 O64 Ru8 -","4","1","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0613","0.0529","","","0.1375","0.1447","","","","","","1.08","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550242","21.316","0.004","29.316","0.006","12.6238","0.0019","90","","90","","90","","7889","2","109","2","108.9","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[3-H(OTf)]","","- C42.94 H37 F3 N2 O4.5 Ru2 S -","- C42.9405 H37 F3 N2 O4.5 Ru2 S -","- C343.524 H296 F24 N16 O36 Ru16 S8 -","8","2","","Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg","A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones","Chemical Science","2019","","","","","10.1039/C8SC02864H","","","0.71073","MoKα","","0.0252","0.0221","","","0.0495","0.0509","","","","","","1.0574","","","","has coordinates,has disorder","211982","2020-10-21","18:00:00",""
"1550243","38.111","0.003","7.4534","0.0005","16.3979","0.0013","90","","113.273","0.002","90","","4278.9","0.6","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Hg2 I4 N4 S2 -","- C9 H12 Hg2 I4 N4 S2 -","- C72 H96 Hg16 I32 N32 S16 -","8","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0576","0.0383","","","0.0738","0.0798","","","","","","1.028","","","","has coordinates,has disorder","224651","2020-10-21","18:00:00",""
"1550244","17.9245","0.0016","12.3888","0.0016","10.6773","0.001","90","","126.485","0.005","90","","1906.3","0.4","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C22 H36 Cl4 Hg2 N8 O2 S6 -","- C22 H36 Cl4 Hg2 N8 O2 S6 -","- C44 H72 Cl8 Hg4 N16 O4 S12 -","2","0.25","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.029","0.0275","","","0.0722","0.0729","","","","","","1.336","","","","has coordinates,has disorder","224651","2020-10-21","18:00:00",""
"1550245","7.2921","0.0006","7.8235","0.0006","30.636","0.002","90","","93.61","0.003","90","","1744.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 N4 O4 S2 -","- C15 H20 N4 O4 S2 -","- C60 H80 N16 O16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0563","0.0419","","","0.0878","0.0957","","","","","","1.093","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550246","17.7977","0.0016","12.295","0.0011","10.8212","0.001","90","","125.868","0.002","90","","1918.9","0.3","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H24 Br4 Hg2 N8 S4 -","- C18 H24 Br4 Hg2 N8 S4 -","- C36 H48 Br8 Hg4 N16 S8 -","2","0.25","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0573","0.0354","","","0.0938","0.1099","","","","","","0.757","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550247","10.1454","0.0003","15.0815","0.0003","15.2995","0.0003","90","","90","","90","","2340.94","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Hg2 I4 N4 S2 -","- C10 H16 Hg2 I4 N4 S2 -","- C40 H64 Hg8 I16 N16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0262","0.0212","","","0.0445","0.0467","","","","","","1.061","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550248","9.6186","0.0007","14.2021","0.0011","13.5419","0.0011","90","","108.982","0.003","90","","1749.3","0.2","252","2","252","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br2 Hg N4 S2 -","- C10 H16 Br2 Hg N4 S2 -","- C40 H64 Br8 Hg4 N16 S8 -","4","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0348","0.0262","","","0.059","0.0622","","","","","","1.03","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550249","18.3607","0.0007","14.7466","0.0006","11.7959","0.0004","90","","107.761","0.001","90","","3041.6","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Hg2 I4 N6 S3 -","- C15 H24 Hg2 I4 N6 S3 -","- C60 H96 Hg8 I16 N24 S12 -","4","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0567","0.0322","","","0.0544","0.0657","","","","","","1.063","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550252","14.1628","0.0005","14.0547","0.0005","19.8443","0.0007","90","","110.832","0.002","90","","3691.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrabutylammonium hydroselenide","","- C16 H37 N Se -","- C16 H37 N Se -","- C128 H296 N8 Se8 -","8","1","","Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.","Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion","Chemical Science","2019","","","","","10.1039/C8SC03968B","","","1.54178","CuKα","","0.0722","0.0442","","","0.1118","0.1312","","","","","","1.025","","","","has coordinates","212048","2020-10-21","18:00:00",""
"1550253","13.8015","0.0007","18.0488","0.0009","18.1383","0.0009","103.008","0.003","102.996","0.003","105.924","0.003","4030.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 F18 N4 O3 -","- C33 H24 F18 N4 O3 -","- C132 H96 F72 N16 O12 -","4","2","","Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.","Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion","Chemical Science","2019","","","","","10.1039/C8SC03968B","","","1.54178","CuKα","","0.0899","0.0656","","","0.1674","0.1761","","","","","","1.047","","","","has coordinates","212048","2020-10-21","18:00:00",""
"1550254","9.5547","0.0004","30.3155","0.0013","26.1228","0.001","90","","90.476","0.002","90","","7566.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H111 N5 O6 Se -","- C70 H100 N5 O5 Se -","- C280 H400 N20 O20 Se4 -","4","1","","Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D.","Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion","Chemical Science","2019","","","","","10.1039/C8SC03968B","","","1.54178","CuKα","","0.1124","0.0921","","","0.2381","0.2492","","","","","","1.05","","","","has coordinates,has disorder","212048","2020-10-21","18:00:00",""
"1550255","22.1499","0.0009","7.8915","0.0002","17.5288","0.0006","90","","111.175","0.004","90","","2857.09","0.19","149.9","0.3","149.9","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H21 B N2 O2 -","- C14 H21 B N2 O2 -","- C112 H168 B8 N16 O16 -","8","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","0.71073","MoKα","","0.0586","0.0476","","","0.1164","0.1227","","","","","","1.071","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550256","6.6119","0.0002","12.8257","0.0002","7.7086","0.0002","90","","111.978","0.003","90","","606.2","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H19 B N2 O2 -","- C10 H19 B N2 O2 -","- C20 H38 B2 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0383","0.0359","","","0.0941","0.0958","","","","","","1.072","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550257","9.1072","0.0001","15.5083","0.0002","9.6094","0.0001","90","","95.872","0.001","90","","1350.08","0.03","149.9","0.2","149.9","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 B N2 O2 -","- C30 H41 B N2 O2 -","- C60 H82 B2 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0299","0.0284","","","0.0704","0.0712","","","","","","1.018","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550258","6.6658","0.0008","13.0852","0.001","7.7113","0.0008","90","","112.529","0.013","90","","621.28","0.12","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 B F2 N2 O2 -","- C10 H17 B F2 N2 O2 -","- C20 H34 B2 F4 N4 O4 -","2","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0649","0.0645","","","0.171","0.1715","","","","","","1.079","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550259","8.6843","0.0003","10.1231","0.0002","12.0573","0.0003","90","","100.885","0.003","90","","1040.91","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B N2 O2 -","- C9 H15 B N2 O2 -","- C36 H60 B4 N8 O8 -","4","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.0614","0.0583","","","0.1531","0.1562","","","","","","1.116","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550260","11.9618","0.0003","13.0959","0.0003","15.6088","0.0003","90","","90","","90","","2445.13","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 B N2 O2 -","- C24 H37 B N2 O2 -","- C96 H148 B4 N8 O8 -","4","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.048","0.0436","","","0.1232","0.1275","","","","","","1.072","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550261","24.83","0.004","16.876","0.002","31.391","0.004","90","","98.121","0.008","90","","13022","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","car21","car21","","- C92 H168 Na O43 Ti8 -","- C92 H168 Na O43 Ti8 -","- C368 H672 Na4 O172 Ti32 -","4","1","","Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M.","Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry","Chemical Science","2019","","","","","10.1039/C8SC04138E","","","0.71073","MoKα","","0.1232","0.0633","","","0.1425","0.1827","","","","","","1.077","","","","has coordinates,has disorder","212050","2020-10-21","18:00:00",""
"1550262","19.6778","0.0008","19.6778","0.0008","38.0292","0.0019","90","","90","","90","","14725.5","1.1","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","CAR4128A","mayer27","","- C124 H210 Co N12 O40 Ti8 -","- C80 H144 O40 Ti8 -","- C320 H576 O160 Ti32 -","4","","","Saouma, Caroline T.; Tsou, Chih-Chin; Richard, Sarah; Ameloot, Rob; Vermoortele, Frederik; Smolders, Simon; Bueken, Bart; Valdez, Carolyn; DiPasquale, Antonio; Kaminsky, Werner; De Vos, Dirk; Mayer, James M.","Sodium-Coupled Electron Transfer Reactivity of Metal-Organic Frameworks Containing Titanium Clusters: The Importance of Cations in Redox Chemistry","Chemical Science","2019","","","","","10.1039/C8SC04138E","","","0.71073","MoKα","","0.1693","0.1257","","","0.3411","0.367","","","","","","1.074","","","","has coordinates","212050","2020-10-21","18:00:00",""
"1550263","16.011","0.003","17.232","0.003","19.864","0.003","68.468","0.015","77.568","0.014","82.152","0.013","4968.5","1.6","99.8","0.5","99.8","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C123 H135 F3 N4 O10 -","- C123 H135 F3 N4 O10 -","- C246 H270 F6 N8 O20 -","2","1","","Milton, Margarita; Schuster, Nathaniel J.; Paley, Daniel W.; Hernández Sánchez, Raúl; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Defying strain in the synthesis of an electroactive bilayer helicene","Chemical Science","2019","","","","","10.1039/C8SC04216K","","x-ray","1.54184","CuKα","","0.1781","0.096","","","0.2316","0.2985","","","","","","1.019","","","","has coordinates,has disorder","212078","2020-10-21","18:00:00",""
"1550264","15.2191","0.0005","16.2207","0.0006","19.6692","0.0008","75.736","0.003","74.285","0.003","76.47","0.003","4456.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C113 H118 N4 O9 -","- C113 H118 N4 O9 -","- C226 H236 N8 O18 -","2","1","","Milton, Margarita; Schuster, Nathaniel J.; Paley, Daniel W.; Hernández Sánchez, Raúl; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Defying strain in the synthesis of an electroactive bilayer helicene","Chemical Science","2019","","","","","10.1039/C8SC04216K","","x-ray","1.54184","CuKα","","0.1349","0.0947","","","0.2589","0.3043","","","","","","1.047","","","","has coordinates,has disorder","212078","2020-10-21","18:00:00",""
"1550265","24.715","0.005","23.137","0.004","13.595","0.003","90","","90","","90","","7774","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C38 H60 Mo13 N10 O34 -","- C37 H39 Mo13 N9 O36 -","- C148 H156 Mo52 N36 O144 -","4","0.25","","Luo, Benlong; Sang, Rui-LI; Lin, Lifang; Xu, Li","Mo3IV-Polyoxomolybdates with Frustrated Lewis Pairs For High-Performance Hydrogenation Catalysis","Catalysis Science & Technology","2019","","","","","10.1039/C8CY01771A","","","0.71073","MoKα","","0.0394","0.0356","","","0.0953","0.0985","","","","","","1.046","","","","has coordinates","212087","2020-10-21","18:00:00",""
"1550266","38.452","0.0007","38.452","0.0007","38.452","0.0007","90","","90","","90","","56853.4","1.8","100","2","100","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C72 H36 Cu1.5 N6 O26 Zr6 -","- C72 H36 Cu1.5 N6 O26 Zr6 -","- C576 H288 Cu12 N48 O208 Zr48 -","8","0.0833333","","Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna","A Concentrated Array of Copper Porphyrin Candidate Qubits","Chemical Science","2019","","","","","10.1039/C8SC04435J","","","1.54178","CuKα","","0.122","0.1075","","","0.3322","0.3549","","","","","","1.487","","","","has coordinates","212090","2020-10-21","18:00:00",""
"1550267","17.5605","0.0014","9.4899","0.0007","9.611","0.0006","90","","90","","90","","1601.6","0.2","173","2","173","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Br2 Cu2 N4 -","- C11 H16 Br2 Cu2 N4 -","- C44 H64 Br8 Cu8 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0467","0.0385","","","0.0936","0.0979","","","","","","1.089","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550268","4.2749","0.0001","16.1161","0.0004","17.0121","0.0004","90","","90","","90","","1172.04","0.05","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H5 Cu I N -","- C4 H5 Cu I N -","- C32 H40 Cu8 I8 N8 -","8","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","x-ray","0.71073","MoKα","","0.0388","0.0319","","","0.0697","0.0764","","","","","","1.063","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550269","10.0197","0.0008","7.6791","0.0006","22.4578","0.0018","90","","101.735","0.003","90","","1691.8","0.2","297","2","297.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu I N4 -","- C18 H14 Cu I N4 -","- C72 H56 Cu4 I4 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0472","0.0367","","","0.0945","0.1007","","","","","","1.077","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550270","17.6696","0.0005","9.5533","0.0003","9.5747","0.0002","90","","90","","90","","1616.24","0.08","299","2","299.19","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Br2 Cu2 N4 -","- C11 H16 Br2 Cu2 N4 -","- C44 H64 Br8 Cu8 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","Copper(i)-polymers and their photoluminescence thermochromism properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","2","477","486","10.1039/c8pp00474a","","","0.71073","MoKα","","0.0384","0.0294","","","0.0575","0.0607","","","","","","1.024","","","","has coordinates","225320","2020-10-21","18:00:00",""
"1550271","11.913","0.005","13.949","0.005","15.859","0.006","81.424","0.004","72.882","0.004","79.945","0.004","2466.5","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 Au O4 P S4 -","- C56 H48 Au O4 P S4 -","- C112 H96 Au2 O8 P2 S8 -","2","1","","McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen","Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals","Chemical Science","2019","","","","","10.1039/C8SC04500C","","","0.71073","MoKα","","0.0163","0.0151","","","0.0427","0.0495","","","","","","1.169","","","","has coordinates","212120","2020-10-21","18:00:00",""
"1550272","11.584","0.004","15.448","0.005","9.441","0.003","90","","102.511","0.002","90","","1649.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Au Cl2 O4 S4 -","- C33 H28 Au Cl2 O4 S4 -","- C66 H56 Au2 Cl4 O8 S8 -","2","0.5","","McGuire, Jake; Miras, Haralampos; Richards, Emma; Sproules, Stephen","Enabling Single Qubit Addressability in a Molecular Semiconductor Comprising Gold-Supported Organic Radicals","Chemical Science","2019","","","","","10.1039/C8SC04500C","","","0.71073","MoKα","","0.0202","0.0187","","","0.0453","0.0463","","","","","","1.062","","","","has coordinates","212120","2020-10-21","18:00:00",""
"1550279","7.6862","0.0003","11.1085","0.0004","17.7851","0.0006","72.8236","0.001","88.0499","0.0011","70.2746","0.001","1362.03","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl4 Co2 N4 S2 -","- C20 H32 Cl4 Co2 N4 S2 -","- C40 H64 Cl8 Co4 N8 S4 -","2","1","","Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G.","Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02218F","","","0.71073","MoKα","","0.0236","0.0214","","","0.0537","0.0554","","","","","","1.049","","","","has coordinates","212157","2020-10-21","18:00:00",""
"1550280","7.0681","0.0009","9.014","0.0012","12.2372","0.0015","108.21","0.004","98.899","0.004","99.291","0.005","713.18","0.16","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C11 H18 Cl2 Co N2 S -","- C11 H18 Cl2 Co N2 S -","- C22 H36 Cl4 Co2 N4 S2 -","2","1","","Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G.","Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02218F","","x-ray","0.71073","MoKα","","0.0364","0.0336","","","0.0838","0.0852","","","","","","1.113","","","","has coordinates","212157","2020-10-21","18:00:00",""
"1550281","12.4386","0.0003","19.8125","0.0005","23.4119","0.0006","67.1494","0.0013","86.3179","0.0012","85.5446","0.0012","5297.1","0.2","230","","230","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H39 B F24 Fe N O3 P2 -","- C46 H39 B F24 Fe N O3 P2 -","- C184 H156 B4 F96 Fe4 N4 O12 P8 -","4","2","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0676","0.0427","","","0.1149","0.1258","","","","","","1.075","","","","has coordinates,has disorder","212163","2020-10-21","18:00:00",""
"1550282","16.081","0.002","11.2301","0.0014","15.4862","0.0019","90","","106.408","0.003","90","","2682.8","0.6","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 F6 Fe N O9 P2 S2 -","- C16 H29 F6 Fe N O9 P2 S2 -","- C64 H116 F24 Fe4 N4 O36 P8 S8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0354","0.0304","","","0.0724","0.0744","","","","","","1.146","","","","has coordinates","212164","2020-10-21","18:00:00",""
"1550283","10.343","0.002","23.935","0.008","16.484","0.003","90","","96.014","0.006","90","","4058.3","1.7","273","2","273.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 B F20 Fe N O3 P2 -","- C38 H28 B F20 Fe N O3 P2 -","- C152 H112 B4 F80 Fe4 N4 O12 P8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0665","0.0386","","","0.0754","0.0835","","","","","","1.037","","","","has coordinates","212165","2020-10-21","18:00:00",""
"1550284","14.7564","0.0009","10.0345","0.0007","15.8101","0.0014","90","","117.783","0.002","90","","2071.2","0.3","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B F4 Fe N O3 P2 -","- C14 H28 B F4 Fe N O3 P2 -","- C56 H112 B4 F16 Fe4 N4 O12 P8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0519","0.0382","","","0.0769","0.0818","","","","","","1.028","","","","has coordinates,has disorder","212166","2020-10-21","18:00:00",""
"1550285","12.6009","0.0008","10.8786","0.0007","14.531","0.0009","90","","109.196","0.0016","90","","1881.2","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Fe N O3 P2 -","- C14 H27 Fe N O3 P2 -","- C56 H108 Fe4 N4 O12 P8 -","4","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0223","0.0189","","","0.0481","0.0504","","","","","","0.947","","","","has coordinates","212167","2020-10-21","18:00:00",""
"1550286","9.893","0.003","10.456","0.004","12.269","0.004","98.65","0.011","111.652","0.009","95.223","0.011","1151.2","0.7","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H28 F3 Fe N O6 P2 S -","- C15 H28 F3 Fe N O6 P2 S -","- C30 H56 F6 Fe2 N2 O12 P4 S2 -","2","1","","Chambers, Geoffrey M.; Johnson, Samantha I.; Raugei, Simone; Bullock, R. Morris","Anion control of tautomeric equilibria: Fe‒H vs. N‒H influenced by NH⋯F hydrogen bonding","Chemical Science","2019","","","","","10.1039/C8SC04239J","","","0.71073","MoKα","","0.0407","0.0298","","","0.0679","0.0723","","","","","","1.042","","","","has coordinates","212168","2020-10-21","18:00:00",""
"1550287","12.0936","0.0016","12.9722","0.0013","13.334","0.002","90","","97.167","0.014","90","","2075.5","0.5","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Situ, Bo; Gao, Meng; He, Xiaojing; Li, Shiwu; He, Bairong; Guo, Fengxia; Kang, Chunmin; Liu, Shan; Yang, Lei; Jiang, Meijuan; Hu, Yanwei; Tang, Ben Zhong; Zheng, Lei","A two-photon AIEgen for simultaneous dual-color imaging of atherosclerotic plaques","Materials Horizons","2019","6","3","546","","10.1039/C8MH01293H","","","0.71073","MoKα","","0.0878","0.0559","","","0.1399","0.1634","","","","","","1.042","","","","has coordinates,has disorder","225367","2020-10-21","18:00:00",""
"1550289","11.961","0.001","16.591","0.001","26.614","0.002","93.877","0.006","90.681","0.006","98.321","0.007","5212.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53.5 H66 Cl3 N4 O1.5 Ru -","- C53.5 H66 Cl3 N4 O1.5 Ru -","- C214 H264 Cl12 N16 O6 Ru4 -","4","2","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","x-ray","0.71073","MoKα","","0.1584","0.0815","","","0.187","0.2286","","","","","","0.982","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550290","11.206","0.0003","15.0047","0.0004","33.7602","0.001","90","","96.909","0.003","90","","5635.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H82 Cl2 N4 Ru -","- C63 H82 Cl2 N4 Ru -","- C252 H328 Cl8 N16 Ru4 -","4","1","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71073","MoKα","","0.1651","0.0467","","","0.0505","0.0636","","","","","","0.685","","","","has coordinates","212180","2020-10-21","18:00:00",""
"1550291","12.017","0.002","12.562","0.002","16.608","0.002","80.103","0.01","89.839","0.01","70.644","0.01","2326.2","0.6","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H62 Cl2 N4 Ru -","- C53 H62 Cl2 N4 Ru -","- C106 H124 Cl4 N8 Ru2 -","2","1","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71069","MoKα","","0.1877","0.0589","","","0.0834","0.1047","","","","","","0.715","","","","has coordinates","212180","2020-10-21","18:00:00",""
"1550292","21.792","0.0005","10.9906","0.0002","22.5146","0.0005","90","","107.445","0.002","90","","5144.4","0.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Cl4 N4 Ru -","- C56 H68 Cl4 N4 Ru -","- C224 H272 Cl16 N16 Ru4 -","4","1","","DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71073","MoKα","","0.0982","0.0425","","","0.0727","0.0801","","","","","","0.804","","","","has coordinates","212180","2020-10-21","18:00:00",""
"1550293","11.964","0.013","20.02","0.02","7.423","0.011","90","","90.11","0.04","90","","1778","4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H17 Br N2 Ni O -","- C20 H17 Br N2 Ni O -","- C80 H68 Br4 N8 Ni4 O4 -","4","1","","Ueda, Yohei; Tsujimoto, Nagataka; Yurino, Taiga; Tsurugi, Hayato; Mashima, Kazushi","Nickel-catalyzed Cyanation of Aryl Halides and Triflates Using Acetonitrile via the C—CN Bond Cleavage Assisted by 1,4-Bis(trimethylsilyl)-2,3,5,6-tetramethyl-1,4-dihydropyrazine","Chemical Science","2019","","","","","10.1039/C8SC04437F","","","0.71075","MoKα","","0.1249","0.0728","","","0.162","0.1807","","","","","","0.921","","","","has coordinates","212185","2020-10-21","18:00:00",""
"1550296","8.489","0.003","12.387","0.007","17.4","0.006","98.386","0.018","100.888","0.015","91.61","0.03","1774.6","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H37 B N2 -","- C43 H37 B N2 -","- C86 H74 B2 N4 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1322","0.0767","","","0.1875","0.208","","","","","","1.059","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550297","9.741","0.004","13.927","0.005","15.334","0.006","63.989","0.011","89.736","0.013","69.795","0.012","1727.7","1.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 B N2 S -","- C45 H37 B N2 S -","- C90 H74 B2 N4 S2 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1403","0.065","","","0.1326","0.1594","","","","","","1.022","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550298","22.13","0.04","17.76","0.03","19.24","0.03","90","","106.15","0.06","90","","7263","2","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47.5 H40.5 B Cl N2 -","- C47.5 H40.5 B Cl N2 -","- C380 H324 B8 Cl8 N16 -","8","2","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2104","0.1236","","","0.3025","0.3516","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550299","9.296","0.006","18.788","0.01","19.886","0.011","111.16","0.02","90.63","0.02","97.62","0.02","3204","3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H37 B N2 -","- C43 H37 B N2 -","- C172 H148 B4 N8 -","4","2","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1357","0.0724","","","0.1592","0.1855","","","","","","1.022","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550300","11.145","0.01","12.992","0.013","14.196","0.013","64.16","0.03","75.45","0.03","73.97","0.03","1758","3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 B N2 S -","- C45 H37 B N2 S -","- C90 H74 B2 N4 S2 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.1388","0.0651","","","0.1416","0.1681","","","","","","1.039","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550301","10.4774","0.0015","12.5886","0.0017","16.437","0.003","71.344","0.004","87.354","0.006","71.435","0.005","1943.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 Ag6 S6 -","- C24 H54 Ag6 S6 -","- C48 H108 Ag12 S12 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.0503","0.0348","","","0.0785","0.0924","","","","","","1.006","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550302","13.873","0.019","16.28","0.02","17.74","0.03","86.66","0.04","80.14","0.04","72.27","0.04","3760","9","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C6.96 H5.78 B0.15 N0.3 -","- C6.96296 H5.77778 B0.148148 N0.296296 -","- C188 H156 B4 N8 -","27","13.5","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2272","0.0807","","","0.1706","0.2107","","","","","","0.853","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550303","13.384","0.003","12.918","0.003","22.321","0.007","90","","125.5","0.02","90","","3141.8","1.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 B N2 S -","- C41 H35 B N2 S -","- C164 H140 B4 N8 S4 -","4","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.0922","0.0507","","","0.1088","0.1251","","","","","","1.042","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550304","8.1887","0.0014","13.353","0.002","15.493","0.002","81.008","0.006","83.598","0.006","78.061","0.006","1631.5","0.4","179","2","179","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 B N2 -","- C43 H37 B N2 -","- C86 H74 B2 N4 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2006","0.1223","","","0.2965","0.3284","","","","","","1.068","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550305","9.196","0.003","14.091","0.004","14.197","0.004","74.441","0.009","87.034","0.009","75.138","0.008","1712.7","0.9","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H37 B N2 -","- C43 H37 B N2 -","- C86 H74 B2 N4 -","2","1","","Zeng, Chao; Yuan, Kang; Wang, Nan; Peng, Tai; Wu, Gang; Wang, Suning","The Opposite and Amplifying Effect of B-N Coordination on Photophysical Properties of Regioisomers with an Unsymmetrical Backbone","Chemical Science","2019","","","","","10.1039/C8SC04210A","","","0.71073","MoKα","","0.2364","0.0939","","","0.1719","0.2128","","","","","","0.912","","","","has coordinates","212244","2020-10-21","18:00:00",""
"1550306","11.2461","0.0003","23.0691","0.0006","15.3687","0.0003","90","","98.7643","0.0019","90","","3940.66","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H59 B N2 -","- C47 H59 B N2 -","- C188 H236 B4 N8 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.068","0.0494","","","0.113","0.1251","","","","","","1.073","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550307","12.6081","0.0005","14.3388","0.0006","22.0714","0.0007","90","","98.028","0.004","90","","3951.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 B N2 O5 -","- C43 H52 B N2 O5 -","- C172 H208 B4 N8 O20 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.0766","0.0527","","","0.1123","0.122","","","","","","1.065","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550308","19.3779","0.0019","14.5134","0.0016","13.085","0.002","90","","90","","90","","3680","0.8","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H47.5 B0.5 N2 O4.5 -","- C40 H47.5 B0.5 N2 O4.5 -","- C160 H190 B2 N8 O18 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","x-ray","0.71073","MoKα","","0.0944","0.0845","","","0.2081","0.2179","","","","","","1.0616","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550309","18.4291","0.0007","13.1243","0.0004","14.5076","0.0006","90","","90","","90","","3508.9","0.2","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H47 Cl N2 O -","- C39 H47 Cl N2 O -","- C156 H188 Cl4 N8 O4 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","","0.71073","MoKα","","0.075","0.0463","","","0.1061","0.1208","","","","","","1.013","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550310","10.1497","0.0004","11.3546","0.0004","29.0077","0.0011","90","","95.69","0.002","90","","3326.5","0.2","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(H)2Rh(PNMeP)2]","","- C23 H56 F3 N2 O3 P4 Rh S -","- C23 H56 F3 N2 O3 P4 Rh S -","- C92 H224 F12 N8 O12 P16 Rh4 S4 -","4","1","","Walsh, Aaron P.; Laureanti, Joseph A.; Katipamula, Sriram; Chambers, Geoffrey M.; Priyadarshani, Nilusha; Lense, Sheri; Bays, J. Timothy; Linehan, John C.; Shaw, Wendy J.","Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO<sub>2</sub> hydrogenation.","Faraday discussions","2019","215","0","123","140","10.1039/c8fd00164b","","","0.71073","MoKα","","0.0434","0.0299","","","0.065","0.0705","","","","","","1.026","","","","has coordinates,has disorder","224593","2020-10-21","18:00:00",""
"1550318","8.295","0.0006","10.3193","0.0006","23.1847","0.0014","84.114","0.005","82.677","0.005","80.838","0.006","1936.4","0.2","122.96","0.18","122.96","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C39 H49 Co N2 P5 -","- C39 H49 Co N2 P5 -","- C78 H98 Co2 N4 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0902","0.0793","","","0.2044","0.2164","","","","","","1.018","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550319","11.5086","0.0006","12.6623","0.0006","16.1055","0.0008","71.013","0.004","69.473","0.005","70.661","0.004","2014.97","0.19","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H53 Co N2 P5 -","- C41 H53 Co N2 P5 -","- C82 H106 Co2 N4 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0563","0.0544","","","0.1467","0.1501","","","","","","1.026","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550320","11.0975","0.0004","12.9085","0.0008","16.7384","0.0009","68.191","0.005","88.775","0.004","72.802","0.004","2116.1","0.2","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","[MesBIANCoP5Cy2]","","- C45 H57 Co N2 P5 -","- C45 H57 Co N2 P5 -","- C90 H114 Co2 N4 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0601","0.0492","","","0.1129","0.117","","","","","","1.087","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550321","13.84854","0.00012","21.0014","0.0002","27.3815","0.0003","90","","90","","90","","7963.6","0.13","123","1","123","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C77 H111 Co Ga K N4 O6 P4 -","- C77 H111 Co Ga K N4 O6 P4 -","- C308 H444 Co4 Ga4 K4 N16 O24 P16 -","4","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0361","0.0339","","","0.0912","0.093","","","","","","1.033","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550322","12.5761","0.0004","16.9742","0.0004","17.4872","0.0004","97.67","0.002","101.165","0.002","94.952","0.002","3605.33","0.17","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C69 H89.27 Co Ga N4 O P5 -","- C69 H90.16 Co Ga N4 O P5 -","- C138 H180.32 Co2 Ga2 N8 O2 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0667","0.0647","","","0.1798","0.1832","","","","","","1.048","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550323","12.0909","0.0007","12.7157","0.0007","21.8419","0.0009","99.628","0.004","94.661","0.004","102.632","0.005","3206.3","0.3","295.99","0.1","295.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 Co Ga N4 P5 -","- C68 H90 Co Ga N4 P5 -","- C136 H180 Co2 Ga2 N8 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.09","0.0803","","","0.2163","0.2323","","","","","","1.04","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550324","15.3646","0.0003","25.7695","0.0005","27.6375","0.0004","105.439","0.0015","90.5348","0.0015","90.8565","0.0017","10545.7","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H80 Co K N2 O8 -","- C54 H80 Co K N2 O8 -","- C432 H640 Co8 K8 N16 O64 -","8","4","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0997","0.071","","","0.1778","0.1999","","","","","","1.01","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550325","15.4512","0.0003","16.1163","0.0004","16.5636","0.0003","94.7947","0.0016","103.148","0.0016","98.1715","0.0018","3946.85","0.15","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C67 H89 Co Ga K N4 O4 P4 -","- C67 H89 Co Ga K N4 O4 P4 -","- C134 H178 Co2 Ga2 K2 N8 O8 P8 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0395","0.038","","","0.1075","0.1089","","","","","","1.036","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550326","12.0763","0.0007","12.7169","0.0007","21.8615","0.0009","99.614","0.004","94.655","0.004","102.639","0.004","3205.7","0.3","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 Co Ga N4 P5 -","- C68 H90 Co Ga N4 P5 -","- C136 H180 Co2 Ga2 N8 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0804","0.0717","","","0.1887","0.2019","","","","","","1.04","","","","has coordinates","212360","2020-10-21","18:00:00",""
"1550327","11.8741","0.0003","12.4783","0.0003","24.9702","0.0006","89.008","0.002","77.087","0.002","78.673","0.002","3534.62","0.15","123.01","0.1","123.01","0.1","","","","","","","","8","P -1","-P 1","2","","[(MesBIAN)Co(? η4:η1 P5tBu)GaCl(nacnac)]","","- C75 H88 Cl Co F2 Ga N4 P5 -","- C75 H88 Cl Co F2 Ga N4 P5 -","- C150 H176 Cl2 Co2 F4 Ga2 N8 P10 -","2","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0461","0.0444","","","0.1162","0.1179","","","","","","1.037","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550328","16.9747","0.0003","12.0886","0.0002","21.1714","0.0004","90","","103.859","0.002","90","","4217.91","0.13","279","2","279","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 F6 Ir N2 P3 -","- C47 H38 F6 Ir N2 P3 -","- C188 H152 F24 Ir4 N8 P12 -","4","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.0368","0.0286","","","0.0618","0.0651","","","","","","1.048","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550329","10.539","0.0002","19.2351","0.0003","10.9341","0.0002","90","","104.941","0.002","90","","2141.61","0.07","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H38 F6 Ir N2 O2 P3 -","- C49 H38 F6 Ir N2 O2 P3 -","- C98 H76 F12 Ir2 N4 O4 P6 -","2","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.0407","0.0366","","","0.0812","0.0821","","","","","","1.024","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550330","17.4083","0.0005","13.0416","0.0003","20.5524","0.0005","90","","108.427","0.003","90","","4426.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 F6 Ir N2 O2 P3 -","- C50 H38 F6 Ir N2 O2 P3 -","- C200 H152 F24 Ir4 N8 O8 P12 -","4","1","","Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan","Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging","Chemical Science","2019","","","","","10.1039/C8SC04242J","","","0.71073","MoKα","","0.052","0.0351","","","0.0673","0.0727","","","","","","1.112","","","","has coordinates","212361","2020-10-21","18:00:00",""
"1550331","5.478","0.002","9.837","0.002","25.781","0.005","90","","90","","90","","1389.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O2 -","- C16 H18 N O2 -","- C64 H72 N4 O8 -","4","1","","Yao, Kun; Yuan, Qianjia; Qu, Xingxin; Liu, Yangang; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed asymmetric allylic substitution cascade using α-(pyridin-1-yl)-acetamides formed in situ as nucleophiles","Chemical Science","2019","","","","","10.1039/C8SC04626C","","","1.54178","CuKα","","0.0523","0.047","","","0.1419","0.1468","","","","","","1.163","","","","has coordinates","212362","2020-10-21","18:00:00",""
"1550337","22.6855","0.0008","22.6855","0.0008","10.7563","0.0007","90","","90","","120","","4793.9","0.4","185","2","185","2","","","","","","","","6","P 65","P 65","170","","","","- C31 H38 Cl2 O5 P S -","- C31 H39 Cl2 O5 P S -","- C186 H234 Cl12 O30 P6 S6 -","6","1","","Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao","Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2019","10","4","546","","10.1039/C8PY01568F","","","0.71073","MoKα","","0.0623","0.0514","","","0.1419","0.1592","","","","","","0.934","","","","has coordinates","225338","2020-10-21","18:00:00",""
"1550338","9.1697","0.0006","9.5203","0.0006","36.333","0.002","90","","90","","90","","3171.8","0.3","185","2","185","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 F2 N O3 P Pd S -","- C34 H38 F2 N O3 P Pd S -","- C136 H152 F8 N4 O12 P4 Pd4 S4 -","4","1","","Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao","Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2019","10","4","546","","10.1039/C8PY01568F","","","0.71073","MoKα","","0.0662","0.0468","","","0.0837","0.0898","","","","","","0.964","","","","has coordinates","225338","2020-10-21","18:00:00",""
"1550339","12.3462","0.0002","12.3462","0.0002","48.9067","0.0009","90","","90","","90","","7454.8","0.2","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C34 H28 F12 Fe N8 P2 -","- C34 H28 F12 Fe N8 P2 -","- C272 H224 F96 Fe8 N64 P16 -","8","2","","Carey, Monica C.; Adelman, Sara L.; McCusker, James K.","Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy","Chemical Science","2019","","","","","10.1039/C8SC04025G","","","1.54178","CuKα","","0.0607","0.0487","","","0.1081","0.1141","","","","","","0.979","","","","has coordinates","212509","2020-10-21","18:00:00",""
"1550340","8.6648","0.0002","14.3856","0.0003","17.4683","0.0004","83.227","0.002","85.655","0.002","82.022","0.002","2137.36","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H45 F12 Fe N6 O P2 -","- C40 H45 F12 Fe N6 O P2 -","- C80 H90 F24 Fe2 N12 O2 P4 -","2","1","","Carey, Monica C.; Adelman, Sara L.; McCusker, James K.","Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy","Chemical Science","2019","","","","","10.1039/C8SC04025G","","","1.54178","CuKα","","0.1102","0.0625","","","0.141","0.1643","","","","","","1.02","","","","has coordinates","212509","2020-10-21","18:00:00",""
"1550341","6.9784","0.0004","7.3112","0.0004","21.0187","0.0013","81.743","0.005","89.701","0.005","71.272","0.005","1004.12","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br2 N O S -","- C23 H15 Br2 N O S -","- C46 H30 Br4 N2 O2 S2 -","2","1","","Shan, Yahan; Li, Shiwen; Wang, Rui; Zhu, Si Yi; Wu, Fei; Fu, Yang; Zhu, Linna","Spontaneously hierarchical self-assembly of nanofibres into fluorescent spherical particles: a leap from organogels to macroscopic solid spheres.","Soft matter","2019","15","3","470","476","10.1039/c8sm02106f","","x-ray","0.71073","MoKα","","0.0796","0.0456","","","0.0861","0.1012","","","","","","1.0386","","","","has coordinates","225358","2020-10-21","18:00:00",""
"1550342","10.8431","0.0006","11.8835","0.0006","14.4823","0.0009","90","","109.361","0.007","90","","1760.57","0.19","150","2","150","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Timi-Cu","","","- C15.5 H17 Cu N3.5 O5.75 -","- C15.5 H16.5 Cu N3.5 O5.75 -","- C62 H66 Cu4 N14 O23 -","4","1","LQ5014","Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong","Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework","IUCrJ","2019","6","1","","","10.1107/S2052252518015749","","","1.5418","CuKα","","0.0984","0.084","","","0.2296","0.2447","","","","","","1.073","","","","has coordinates,has disorder","212515","2020-10-21","18:00:00",""
"1550343","6.9216","0.0002","59.8833","0.0015","7.8371","0.0004","90","","94.192","0.003","90","","3239.7","0.2","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 I N2 O -","- C35 H47 I N2 O -","- C140 H188 I4 N8 O4 -","4","1","","Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong","Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking","Chemical Science","2019","","","","","10.1039/C8SC05119D","","x-ray","1.54184","CuKα","","0.13","0.1135","","","0.2674","0.2764","","","","","","1.129","","","","has coordinates,has disorder","212536","2020-10-21","18:00:00",""
"1550344","10.5322","0.0002","16.7869","0.0004","43.8778","0.0008","90","","90.202","0.002","90","","7757.7","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 I N2 -","- C27 H37 I N2 -","- C324 H444 I12 N24 -","12","3","","Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong","Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking","Chemical Science","2019","","","","","10.1039/C8SC05119D","","x-ray","1.54184","CuKα","","0.0539","0.0434","","","0.1056","0.1182","","","","","","0.905","","","","has coordinates","212536","2020-10-21","18:00:00",""
"1550345","15.8691","0.0003","12.5093","0.0003","15.8466","0.0004","90","","90","","90","","3145.73","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H23 B2 Cl9 N4 O2 -","- C23 H23 B2 Cl9 N4 O2 -","- C92 H92 B8 Cl36 N16 O8 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","0.71073","MoKα","","0.1017","0.0556","","","0.0842","0.1032","","","","","","1.037","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550346","11.1827","0.0002","13.5841","0.0002","13.7474","0.0002","83.0226","0.0011","81.9334","0.001","86.2235","0.0011","2049.82","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 B4 Cl2 N8 O2 -","- C42 H44 B4 Cl2 N8 O2 -","- C84 H88 B8 Cl4 N16 O4 -","2","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","1.54178","CuKα","","0.0886","0.0713","","","0.1888","0.2087","","","","","","1.049","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550347","7.0474","0.0003","10.652","0.0004","22.2574","0.0009","90","","90.2535","0.0008","90","","1670.82","0.12","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 B2 N2 O3 -","- C16 H22 B2 N2 O3 -","- C64 H88 B8 N8 O12 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","1.54178","CuKα","","0.0559","0.0537","","","0.1327","0.1342","","","","","","1.073","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550348","8.1816","0.0005","26.3954","0.0016","17.138","0.0011","90","","99.443","0.004","90","","3650.9","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 B2 N6 O2 -","- C38 H56 B2 N6 O2 -","- C152 H224 B8 N24 O8 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","1.54178","CuKα","","0.1066","0.081","","","0.2053","0.2208","","","","","","1.086","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550349","5.0978","0.0005","9.7374","0.0008","17.7601","0.0017","90","","92.193","0.009","90","","880.95","0.14","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O2 -","- C22 H16 N6 O2 -","- C44 H32 N12 O4 -","2","0.5","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0801","0.0585","","","0.1236","0.1332","","","","","","1.105","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550350","7.3603","0.0003","8.618","0.0006","11.0702","0.0006","102.912","0.005","95.079","0.004","108.486","0.005","639.4","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Ag N3 O3 -","- C13 H12 Ag N3 O3 -","- C26 H24 Ag2 N6 O6 -","2","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0261","0.023","","","0.0506","0.0521","","","","","","1.045","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550351","7.4404","0.0005","9.0236","0.0007","10.0764","0.0007","89.276","0.006","72.988","0.006","79.287","0.006","635.02","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N6 O4 S2 -","- C26 H28 N6 O4 S2 -","- C26 H28 N6 O4 S2 -","1","0.5","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0367","0.0318","","","0.0743","0.0771","","","","","","1.047","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550352","11.3109","0.0003","14.7646","0.0003","13.9188","0.0003","90","","105.464","0.003","90","","2240.3","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Ag Cl N6 O6 -","- C22 H18 Ag Cl N6 O6 -","- C88 H72 Ag4 Cl4 N24 O24 -","4","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0324","0.0269","","","0.0559","0.058","","","","","","1.088","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550353","19.2704","0.0006","4.05485","0.00013","33.1511","0.001","90","","92.289","0.003","90","","2588.31","0.14","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N8 O4 -","- C28 H30 N8 O4 -","- C112 H120 N32 O16 -","4","0.5","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0489","0.0459","","","0.1133","0.1153","","","","","","1.07","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550354","11.84847","0.00015","11.65924","0.00016","18.1068","0.0003","90","","101.316","0.0015","90","","2452.72","0.06","119.97","0.12","119.97","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Ag F3 N6 O5 S -","- C23 H18 Ag F3 N6 O5 S -","- C92 H72 Ag4 F12 N24 O20 S4 -","4","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0298","0.0251","","","0.0556","0.0579","","","","","","1.04","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550355","11.5489","0.0005","11.6921","0.0005","18.1433","0.0007","90","","101.463","0.004","90","","2401.04","0.18","119.96","0.15","119.96","0.15","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Ag F6 N6 O2 P -","- C22 H18 Ag F6 N6 O2 P -","- C88 H72 Ag4 F24 N24 O8 P4 -","4","1","","Tatikonda, Rajendhraprasad; Bulatov, Evgeny; Özdemir, Zülal; Nonappa, ?; Haukka, Matti","Infinite coordination polymer networks: metallogelation of aminopyridine conjugates and in situ silver nanoparticle formation.","Soft matter","2019","15","3","442","451","10.1039/c8sm02006j","","x-ray","0.71073","MoKα","","0.0368","0.0319","","","0.0738","0.0772","","","","","","1.049","","","","has coordinates","225359","2020-10-21","18:00:00",""
"1550357","11.7327","0.001","13.5801","0.0012","14.5983","0.0012","71.026","0.004","88.785","0.004","77.839","0.004","2147.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Dy2 F42 N4 O12 -","- C68 H66 Dy2 F40 N4 O12 -","- C68 H66 Dy2 F40 N4 O12 -","1","0.5","","Perfetti, Mauro; Gysler, Maren; Rechkemmer, Yvonne; Zhang, Peng; Tastan, Hatice; Fischer, Florian; Netz, Julia; Frey, Wolfgang; Zimmermann, Lucas; Schleid, Thomas; Hakl, Michael; Orlita, Milan; Ungur, Liviu; Chibotaru, Liviu; Brock-Nannestad, Theis; Piligkos, Stergios; van Slageren, Joris","Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization","Chemical Science","2019","","","","","10.1039/C8SC03170C","","","0.71073","MoKα","","0.0933","0.0743","","","0.2154","0.234","","","","","","1.093","","","","has coordinates,has disorder","212558","2020-10-21","18:00:00",""
"1550358","11.0189","0.0007","13.6198","0.0009","19.9453","0.0013","107.462","0.002","94.429","0.001","102.769","0.001","2751.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Cl6 N8 O3 -","- C56 H56 Cl6 N8 O3 -","- C112 H112 Cl12 N16 O6 -","2","1","","Kołodziejski, Michał; Stefankiewicz, Artur R.; Lehn, Jean-Marie","Dynamic polyimine macrobicyclic cryptands ‒ self-sorting with component selection","Chemical Science","2019","","","","","10.1039/C8SC04598D","","","0.71073","MoKα","","0.1493","0.0702","","","0.1433","0.1792","","","","","","1.005","","","","has coordinates","212559","2020-10-21","18:00:00",""
"1550359","13.0425","0.001","13.288","0.001","19.2843","0.0015","98.778","0.002","100.254","0.002","118.655","0.002","2774.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H56 Cl6 N8 -","- C56 H56 Cl6 N8 -","- C112 H112 Cl12 N16 -","2","1","","Kołodziejski, Michał; Stefankiewicz, Artur R.; Lehn, Jean-Marie","Dynamic polyimine macrobicyclic cryptands ‒ self-sorting with component selection","Chemical Science","2019","","","","","10.1039/C8SC04598D","","","0.71073","MoKα","","0.1376","0.078","","","0.2118","0.24","","","","","","1.043","","","","has coordinates","212559","2020-10-21","18:00:00",""
"1550360","12.1981","0.0001","26.7517","0.0001","21.8243","0.0001","90","","98.026","0.001","90","","7051.95","0.07","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C77 H76 B Cl6 F4 O2 Os P3 -","- C77 H76 B Cl6 F4 O2 Os P3 -","- C308 H304 B4 Cl24 F16 O8 Os4 P12 -","4","1","","Zhang, Huan; Zhao, Haibo; Zhuo, Kaiyue; Hua, Yuhui; Chen, Jiangxi; He, Xumin; Weng, Wengui; Xia, Haiping","“Carbolong” polymers with near infrared triggered, spatially resolved and rapid self-healing properties","Polymer Chemistry","2019","10","3","386","","10.1039/C8PY01482E","","x-ray","1.54184","CuKα","","0.0461","0.0442","","","0.1205","0.1224","","","","","","1.038","","","","has coordinates","225352","2020-10-21","18:00:00",""
"1550361","13.6678","0.0011","15.9682","0.0016","22.901","0.002","85.095","0.005","74.096","0.006","76.589","0.006","4674.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H81 Cl N8 S3 -","- C37 H81 Cl N8 S3 -","- C148 H324 Cl4 N32 S12 -","4","2","","Spooner, Michael J.; Li, Hongyu; Marques, Igor; Costa, Pedro M. R.; Wu, Xin; Howe, Ethan N. W.; Busschaert, Nathalie; Moore, Stephen J.; Light, Mark E.; Sheppard, David N.; Félix, Vítor; Gale, Philip A.","Fluorinated synthetic anion carriers: experimental and computational insights into transmembrane chloride transport","Chemical Science","2019","","","","","10.1039/C8SC05155K","","","0.71073","MoKα","","0.2553","0.151","","","0.2726","0.331","","","","","","1.065","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1550366","24.606","0.005","18.08","0.004","22.351","0.005","90","","101.478","0.002","90","","9745","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C2(27)-C88 Ni(OEP)","Eu@C2(27)-C88 Ni(OEP)","","- C308 H156 Eu2 N12 Ni3 -","- C307.627 H155.999 Eu2.0002 N12 Ni3 -","- C615.253 H311.998 Eu4.0004 N24 Ni6 -","2","0.25","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.126","0.1069","","","0.2813","0.3042","","","","","","1.029","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550367","24.307","0.005","18.191","0.005","22.087","0.006","90","","100.995","0.003","90","","9587","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C1(7)-C86 Ni(OEP)","Eu@C1(7)-C86 Ni(OEP)","","- C280 H132 Eu2 N12 Ni3 -","- C280 H132 Eu2 N12 Ni3 -","- C560 H264 Eu4 N24 Ni6 -","2","0.25","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.1766","0.1407","","","0.2961","0.315","","","","","","1.106","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550368","25.3346","0.0008","15.1339","0.0005","19.9751","0.0006","90","","95.659","0.001","90","","7621.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Eu@C2(13)-C80 Ni(OEP)","Eu@C2(13)-C80 Ni(OEP)","","- C130.05 H53.66 Eu N4 Ni S0.78 -","- C130.05 H53.66 Eu1.0002 N4 Ni S0.78 -","- C520.2 H214.64 Eu4.0008 N16 Ni4 S3.12 -","4","0.5","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.0979","0.0905","","","0.2303","0.2371","","","","","","1.046","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550369","25.386","0.006","15.123","0.006","19.953","0.005","90","","95.2","0.003","90","","7629","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C2(11)-C80 Ni(OEP) 2(C6H6)","Eu@C2(11)-C80 Ni(OEP) 2(C6H6)","","- C132 H56 Eu N4 Ni -","- C132 H56 Eu N4 Ni -","- C528 H224 Eu4 N16 Ni4 -","4","0.5","","Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing","Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes","Chemical Science","2019","","","","","10.1039/C8SC04906H","","","0.6525","synchrotron","","0.0985","0.0898","","","0.2658","0.2773","","","","","","1.052","","","","has coordinates,has disorder","212627","2020-10-21","18:00:00",""
"1550370","8.2674","0.0002","11.66","0.0004","8.1483","0.0002","90","","90","","90","","785.48","0.04","122","","122","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1189","0.088","","","0.1048","0.1067","","","","6.6","6.6","4.66","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550371","8.2556","0.0002","11.6519","0.0003","8.1508","0.0003","90","","90","","90","","784.05","0.04","106","","106","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1012","0.0836","","","0.0965","0.0982","","","","5.91","5.91","4.79","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550372","8.2702","0.0003","11.6766","0.0004","8.1631","0.0006","90","","90","","90","","788.29","0.07","90","","90","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1449","0.103","","","0.1293","0.1326","","","","7.08","7.08","5.06","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550373","8.2548","0.0003","11.6547","0.0006","8.1521","0.0003","90","","90","","90","","784.29","0.06","86","","86","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","LT5013","Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan","Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound","IUCrJ","2019","6","1","105","115","10.1107/S2052252518015026","","neutron","1.4569","neutron","","0.1469","0.1099","","","0.1297","0.1326","","","","7.7","7.7","5.59","","","","has coordinates","213468","2020-10-21","18:00:00",""
"1550375","21.7713","0.0006","21.459","0.0006","27.4874","0.0007","90","","92.893","0.003","90","","12825.5","0.6","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H51.5 Cl6 S5 -","- C77 H51.5 Cl6 S5 -","- C616 H412 Cl48 S40 -","8","1","","Lin, Hsing-An; Kato, Kenta; Segawa, Yasutomo; Scott, Lawrence T.; Itami, Kenichiro","Synthesis and Structural Features of Thiophene-fused Analogues of Warped Nanographene and Quintuple Helicene","Chemical Science","2019","","","","","10.1039/C8SC04470H","","","0.71073","MoKα","","0.1146","0.0899","","","0.2491","0.2702","","","","","","1.033","","","","has coordinates,has disorder","212664","2020-10-21","18:00:00",""
"1550376","8.4646","0.0007","10.2366","0.0011","11.8274","0.0012","77.022","0.009","69.293","0.008","74.924","0.008","915.6","0.17","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O -","- C24 H22 O -","- C48 H44 O2 -","2","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.1055","0.0624","","","0.157","0.1984","","","","","","1.031","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550377","6.8864","0.0005","33.272","0.003","8.5011","0.0008","90","","104.932","0.008","90","","1882","0.3","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.0921","0.0602","","","0.1251","0.1457","","","","","","1.064","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550378","37.682","0.004","6.9971","0.0004","15.2009","0.0009","90","","90","","90","","4007.9","0.5","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C216 H184 N8 O16 -","8","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.0937","0.0717","","","0.1322","0.144","","","","","","1.137","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550379","6.2996","0.0004","14.6723","0.0011","19.1704","0.0013","90","","90","","90","","1771.9","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Gupta, Saswata; Lin, Yongjia; Xia, Yuanzhi; Wink, Donald; Lee, Daesung","Alder-Ene Reactions Driven by High Steric Strain and Bond Angle Distortion to Form Benzocyclobutenes","Chemical Science","2019","","","","","10.1039/C8SC04277B","","","0.71073","MoKα","","0.0682","0.0411","","","0.1031","0.1171","","","","","","0.869","","","","has coordinates","212666","2020-10-21","18:00:00",""
"1550380","25.8366","0.0016","25.8366","0.0016","13.6675","0.0009","90","","90","","120","","7901.2","0.9","297","2","296.96","","","","","","","","No","4","R -3 m","-R 3 2""","166","Ti3-BPDC","Ti3-BPDC","","- C42 H30 O14 Ti3 -","- C42 H25 O14 Ti3 -","- C126 H75 O42 Ti9 -","3","","","Feng, Xuanyu; Song, Yang; Chen, Justin S.; Li, Zhe; Chen, Emily Y.; Kaufmann, Michael; Wang, Cheng; Lin, Wenbin","Cobalt-Bridged Secondary Building Units in a Titanium Metal-Organic Framework Catalyze Cascade Reduction of N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C8SC04610G","","","0.71073","MoKα","","0.1213","0.1129","","","0.343","0.3547","","","","","","1.607","","","","has coordinates","212667","2020-10-21","18:00:00",""
"1550381","13.8833","0.0011","29.9782","0.001","18.874","0.002","90","","93.677","0.012","90","","7839.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.74 H94.11 Cl4 N9.37 O6 P2 -","- C78.74 H94.11 Cl4 N9.37 O6 P2 -","- C314.96 H376.44 Cl16 N37.48 O24 P8 -","4","1","","Peñuelas-Haro, Guillem; Ballester, Pablo","Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors","Chemical Science","2019","","","","","10.1039/C8SC05034A","","","0.71073","MoKα","","0.1265","0.0961","","","0.2637","0.2862","","","","","","1.05","","","","has coordinates,has disorder","212740","2020-10-21","18:00:00",""
"1550382","19.6411","0.0004","19.6411","0.0004","18.4185","0.0005","90","","90","","90","","7105.4","0.3","100","2","100","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C74 H87 Cl4 N7 O6 P2 -","- C74 H87 Cl4 N7 O6 P2 -","- C296 H348 Cl16 N28 O24 P8 -","4","0.25","","Peñuelas-Haro, Guillem; Ballester, Pablo","Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors","Chemical Science","2019","","","","","10.1039/C8SC05034A","","","0.7107","MoKα","","0.0627","0.0545","","","0.1483","0.1526","","","","","","1.184","","","","has coordinates,has disorder","212740","2020-10-21","18:00:00",""
"1550383","7.5885","0.0007","10.8399","0.0012","11.0776","0.0013","90","","108.788","0.007","90","","862.67","0.16","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 Eu4 F2 O8 -","- Al2 Eu4 F1.99 O8 -","- Al8 Eu16 F7.96 O32 -","4","1","","Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel","Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure","IUCrJ","2019","6","1","128","135","10.1107/S205225251801744X","powder diffraction","","1.54059","CuKα","","","","","","","","","11.8828","5.726","","","","","","","has coordinates","213467","2020-10-21","18:00:00",""
"1550384","7.6188","0.0008","10.8705","0.0012","11.1077","0.0013","90","","108.805","0.008","90","","870.84","0.17","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 F2 O8 Sm4 -","- Al2 F1.99 O8 Sm4 -","- Al8 F7.96 O32 Sm16 -","4","1","","Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel","Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure","IUCrJ","2019","6","1","128","135","10.1107/S205225251801744X","powder diffraction","","1.54059","CuKα","","","","","","","","","13.0735","3.7488","","","","","","","has coordinates","213467","2020-10-21","18:00:00",""
"1550400","10.9047","0.0004","11.6314","0.0005","19.7689","0.0009","95.343","0.004","101.998","0.003","100.664","0.003","2387.6","0.18","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H66 Cl2 N4 Ru -","- C55 H66 Cl2 N4 Ru -","- C110 H132 Cl4 N8 Ru2 -","2","1","","Dumas, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénael; Tripoteau, Fabien; Caijo, Frédéric; Queval, Pierre; Rouen, Mathieu; Baslé, Olivier; Mauduit, Marc","Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02115E","","","0.71073","MoKα","","0.0986","0.0477","","","0.0583","0.0649","","","","","","0.768","","","","has coordinates","212894","2020-10-21","18:00:00",""
"1550401","13.861","0.005","15.962","0.006","17.258","0.006","69.871","0.006","75.157","0.006","81.221","0.007","3457","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H66 Cl2 N10 O12 -","- C77 H68 Cl2 N10 O12 -","- C154 H136 Cl4 N20 O24 -","2","1","","Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction","Chemical Science","2019","10","2","490","","10.1039/C8SC03824D","","","0.71073","MoKα","","0.2728","0.0749","","","0.1296","0.1799","","","","","","0.804","","","","has coordinates","212907","2020-10-21","18:00:00",""
"1550402","7.804","0.002","11.72","0.003","13.252","0.004","90","","94.565","0.005","90","","1208.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Chen, Huaiyu; Huang, Chao; Ding, Yazhou; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Organic core‒shell-shaped micro/nanoparticles from twisted macrocycles in Schiff base reaction","Chemical Science","2019","10","2","490","","10.1039/C8SC03824D","","","0.71073","MoKα","","0.0671","0.0481","","","0.1267","0.1354","","","","","","1.087","","","","has coordinates","212907","2020-10-21","18:00:00",""
"1550403","10.5476","0.0005","13.0639","0.0006","22.5422","0.0013","90","","99.217","0.005","90","","3066","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Al N2 -","- C32 H47 Al N2 -","- C128 H188 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","","0.71073","MoKα","","0.0856","0.0586","","","0.1404","0.1591","","","","","","1.035","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550404","19.4468","0.0012","18.4781","0.0007","20.5105","0.0013","90","","102.346","0.007","90","","7199.8","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H57 Al N2 -","- C38.5 H57 Al N2 -","- C308 H456 Al8 N16 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","","0.71073","MoKα","","0.1114","0.0752","","","0.1808","0.2093","","","","","","1.022","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550405","12.3296","0.0004","16.8397","0.0005","17.7035","0.0006","90","","106.384","0.004","90","","3526.5","0.2","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 Al N2 O -","- C39 H53 Al N2 O -","- C156 H212 Al4 N8 O4 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.092","0.065","","","0.1515","0.1647","","","","","","1.101","","","","has coordinates","212908","2020-10-21","18:00:00",""
"1550406","12.3658","0.0005","17.1209","0.0006","14.023","0.0005","90","","104.507","0.004","90","","2874.2","0.19","172.95","0.1","172.95","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 Al N2 -","- C31 H45 Al N2 -","- C124 H180 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.0645","0.0465","","","0.1147","0.1255","","","","","","1.056","","","","has coordinates","212908","2020-10-21","18:00:00",""
"1550407","11.227","0.0004","14.6841","0.0006","21.0838","0.0009","90","","90","","90","","3475.8","0.2","172.95","0.1","172.95","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 Al N2 -","- C38 H50 Al N2 -","- C152 H200 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.0731","0.0502","","","0.1269","0.1458","","","","","","0.867","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550408","24.6053","0.0003","15.38681","0.00019","14.82658","0.00016","90","","96.6729","0.0011","90","","5575.27","0.11","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Al2 N4 -","- C62 H90 Al2 N4 -","- C248 H360 Al8 N16 -","4","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","","1.54184","CuKα","","0.0472","0.0401","","","0.1058","0.1122","","","","","","1.058","","","","has coordinates","212908","2020-10-21","18:00:00",""
"1550409","16.1504","0.0011","16.2726","0.0012","17.8745","0.0013","99.297","0.003","112.765","0.002","102.854","0.002","4059.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 Cu F12 N8 O14.13 S4 -","- C48 H36 Cu F12 N8 O14.1333 S4 -","- C144 H108 Cu3 F36 N24 O42.4 S12 -","3","1.5","","Liu, Yanju; Han, Yongzhen; Zhang, Zongyao; Zhang, Wei; Lai, Wenzhen; Wang, Yong; Cao, Rui","Low overpotential water oxidation at neutral pH catalyzed by a copper(II) porphyrin","Chemical Science","2019","","","","","10.1039/C8SC04529A","","","0.71073","MoKα","","0.0993","0.0895","","","0.247","0.2578","","","","","","0.997","","","","has coordinates","212909","2020-10-21","18:00:00",""
"1550410","10.4039","0.0002","12.682","0.0003","21.4037","0.0005","88.235","0.001","80.175","0.001","82.373","0.001","2757.92","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H21 Al2 F55 O6 Si -","- C35.0004 H21 Al2 F55.0009 O6.0001 Si -","- C70.0008 H42 Al4 F110.002 O12.0002 Si2 -","2","1","","Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo","Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation","Chemical Science","2019","","","","","10.1039/C8SC04591G","","","0.71073","MoKα","","0.0478","0.0354","","","0.0849","0.0904","","","","","","1.034","","","","has coordinates,has disorder","212910","2020-10-21","18:00:00",""
"1550411","9.4236","0.0002","10.9684","0.0003","20.6676","0.0005","78.207","0.001","88.952","0.002","83.352","0.002","2077.06","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Al F28 N2 O3 Si -","- C30 H31 Al F28 N2 O3 Si -","- C60 H62 Al2 F56 N4 O6 Si2 -","2","1","","Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo","Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation","Chemical Science","2019","","","","","10.1039/C8SC04591G","","","0.71073","MoKα","","0.0642","0.0475","","","0.1241","0.133","","","","","","1.048","","","","has coordinates","212910","2020-10-21","18:00:00",""
"1550412","12.2182","0.0008","11.395","0.0007","21.1752","0.0014","90","","105.383","0.003","90","","2842.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 Al F27 N2 O3 -","- C19 H10 Al F27 N2 O3 -","- C76 H40 Al4 F108 N8 O12 -","4","1","","Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo","Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation","Chemical Science","2019","","","","","10.1039/C8SC04591G","","","0.71073","MoKα","","0.0295","0.0277","","","0.0685","0.0697","","","","","","1.043","","","","has coordinates,has disorder","212910","2020-10-21","18:00:00",""
"1550413","15.3747","0.0002","7.2401","0.0001","18.684","0.0003","90","","102.066","0.001","90","","2033.85","0.05","130","","130","","","","","","","","Titouan Royal","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C96 H88 F4 N4 O16 -","4","2","","Royal, Titouan; Baudoin, Olivier","Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement","Chemical Science","2019","","","","","10.1039/C8SC05058A","","","1.34143","GaKα","","0.0415","0.0379","","","0.1101","0.1133","","","","","","1.0474","","","","has coordinates","212911","2020-10-21","18:00:00",""
"1550414","15.3844","0.0008","7.2248","0.0004","18.6689","0.001","90","","102.133","0.0018","90","","2028.68","0.19","130","","130","","","","","","","","T. Royal","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C96 H88 F4 N4 O16 -","4","2","","Royal, Titouan; Baudoin, Olivier","Pd-catalyzed γ-arylation of γ,δ-unsaturated O-carbamates via an unusual haptotropic rearrangement","Chemical Science","2019","","","","","10.1039/C8SC05058A","","","1.54178","CuKα","","0.0356","0.0351","","0.0884","0.088","0.0884","","","","","","0.8837","","","","has coordinates","212911","2020-10-21","18:00:00",""
"1550415","18.5184","0.0008","19.9443","0.0007","9.0043","0.0004","90","","90","","90","","3325.6","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Br2 N4 O -","- C39 H32 Br2 N4 O -","- C156 H128 Br8 N16 O4 -","4","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S.","UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals","Chemical Science","2019","","","","","10.1039/C8SC04607G","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.121","0.1294","","","","","","1.047","","","","has coordinates,has disorder","212912","2020-10-21","18:00:00",""
"1550416","20.4627","0.0005","15.7895","0.0004","25.0638","0.0006","90","","90","","90","","8098","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H106 N18 O14 P -","- C79 H103 N18 O14 P -","- C316 H412 N72 O56 P4 -","4","1","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","0.71073","MoKα","","0.1244","0.0792","","","0.1964","0.2197","","","","","","1.144","","","","has coordinates","212913","2020-10-21","18:00:00",""
"1550417","15.948","0.002","16.487","0.002","16.568","0.002","98.9391","0.0019","95.3315","0.0018","117.154","0.0018","3762","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H157 N32 O20 P2 -","- C142 H168.112 N32 O20 P2 -","- C142 H168.112 N32 O20 P2 -","1","0.5","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","0.71073","MoKα","","0.1033","0.0792","","","0.1707","0.1811","","","","","","1.02","","","","has coordinates,has disorder","212913","2020-10-21","18:00:00",""
"1550418","22.7938","0.0008","18.9289","0.0004","23.1163","0.0008","90","","119.257","0.005","90","","8701.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C142 H201 N36 O33 P2 -","- C142 H198 N36 O33 P2 -","- C284 H396 N72 O66 P4 -","2","0.5","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","1.54184","CuKα","","0.1211","0.1074","","","0.2146","0.2201","","","","","","1.044","","","","has coordinates","212913","2020-10-21","18:00:00",""
"1550419","7.6102","0.0008","10.7051","0.0011","27.326","0.003","90","","90","","90","","2226.2","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl (S)-1-(3,3-bis(4-chlorophenyl)allyl) -2-oxo-1,2-dihydronaphthalene-1-carboxylate","","","- C27 H20 Cl2 O3 -","- C27 H20 Cl2 O3 -","- C108 H80 Cl8 O12 -","4","1","","Yao, Lu; Ishihara, Kazuaki","Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex","Chemical Science","2019","","","","","10.1039/C8SC05601C","","","0.71075","MoKα","","0.0275","0.0259","","","0.0671","0.0678","","","","","","1.059","","","","has coordinates","212914","2020-10-21","18:00:00",""
"1550420","14.293","0.003","16.823","0.003","21.7","0.005","90","","90","","90","","5217.8","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Cu F6 N4 O8 S2 -","- C50 H64 Cu F6 N4 O8 S2 -","- C200 H256 Cu4 F24 N16 O32 S8 -","4","1","","Yao, Lu; Ishihara, Kazuaki","Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex","Chemical Science","2019","","","","","10.1039/C8SC05601C","","","0.71075","MoKα","","0.1782","0.0834","","","0.1116","0.1397","","","","","","1.107","","","","has coordinates","212914","2020-10-21","18:00:00",""
"1550421","16.393","0.0004","12.1248","0.0003","20.3969","0.0005","90","","96.964","0.002","90","","4024.22","0.17","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N6 O6 -","- C50 H46 N6 O6 -","- C200 H184 N24 O24 -","4","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0962","0.0718","","","0.1884","0.2125","","","","","","1.061","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550422","10.6274","0.0004","12.6722","0.0006","13.0666","0.0004","76.113","0.003","81.646","0.003","68.89","0.004","1590.27","0.12","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H52 Cl12 N8 O6 -","- C66 H52 Cl12 N8 O6 -","- C66 H52 Cl12 N8 O6 -","1","0.5","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0701","0.0629","","","0.1521","0.1581","","","","","","1.052","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550423","9.1177","0.001","10.6349","0.0006","13.6347","0.0015","84.797","0.007","86.884","0.009","73.337","0.007","1260.8","0.2","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C60 H46 N8 O7 -","- C60 H46 N8 O7 -","- C60 H46 N8 O7 -","1","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.1785","0.1382","","","0.3522","0.3942","","","","","","1.378","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550424","9.5459","0.0006","10.8943","0.0007","14.704","0.001","77.534","0.006","84.269","0.005","68.203","0.006","1386.03","0.17","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C62 H50 Cl8 N8 O6 -","- C62 H50 Cl8 N8 O6 -","- C62 H50 Cl8 N8 O6 -","1","0.5","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","","","0.0617","0.0425","","","0.0935","0.1049","","","","","","1.047","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550425","34.5017","0.0004","10.56728","0.00012","14.7887","0.0002","90","","90","","90","","5391.8","0.11","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C62 H46 Cl8 N8 O5 -","- C62 H46 Cl8 N8 O5 -","- C248 H184 Cl32 N32 O20 -","4","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0416","0.0389","","","0.0939","0.0963","","","","","","1.033","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550426","10.5616","0.0003","23.6815","0.0007","27.6022","0.0005","94.092","0.002","92.874","0.0019","92.603","0.002","6869.1","0.3","150","0.1","150","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H50 Cl16 N8 O6 -","- C66 H50 Cl16 N8 O6 -","- C264 H200 Cl64 N32 O24 -","4","2","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.1369","0.1021","","","0.2662","0.3016","","","","","","1.041","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550427","10.653","0.015","12.928","0.018","51.06","0.02","92.18","0.07","90.93","0.07","111.37","0.13","6540","14","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C134 H110 Cl24 N16 O17 -","- C134 H110 Cl24 N16 O17 -","- C268 H220 Cl48 N32 O34 -","2","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","0.71073","MoKα","","0.1162","0.0751","","","0.2036","0.219","","","","","","1.016","","","","has coordinates,has disorder","212915","2020-10-21","18:00:00",""
"1550428","10.2284","0.0012","11.0264","0.0013","12.5397","0.0013","88.589","0.008","80.364","0.007","79.511","0.008","1371","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B Cl F10 N -","- C29 H21 B Cl F10 N -","- C58 H42 B2 Cl2 F20 N2 -","2","1","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","1.54178","CuKα","","0.1027","0.057","","","0.1371","0.167","","","","","","0.972","","","","has coordinates,has disorder","212916","2020-10-21","18:00:00",""
"1550429","10.2011","0.0004","11.0143","0.0004","12.5252","0.0005","88.743","0.001","80.865","0.001","79.649","0.001","1366.81","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B Br F10 N -","- C29 H21 B Br F10 N -","- C58 H42 B2 Br2 F20 N2 -","2","1","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","1.54178","CuKα","","0.0311","0.0295","","","0.0724","0.0734","","","","","","1.039","","","","has coordinates,has disorder","212916","2020-10-21","18:00:00",""
"1550430","9.9507","0.0003","11.7835","0.0003","16.007","0.0005","71.517","0.001","86.117","0.001","70.299","0.001","1674.26","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 B F10 P -","- C36 H42 B F10 P -","- C72 H84 B2 F20 P2 -","2","1","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","0.71073","MoKα","","0.0701","0.0551","","","0.1147","0.1266","","","","","","1.08","","","","has coordinates","212916","2020-10-21","18:00:00",""
"1550431","10.8108","0.0003","12.1099","0.0003","19.1989","0.0005","76.703","0.001","75.176","0.001","87.966","0.001","2363.95","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H43 Cl -","- C27.5 H43 Cl -","- C110 H172 Cl4 -","4","2","","Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald","Halogenoborane mediated allene cyclooligomerization","Chemical Science","2019","","","","","10.1039/C8SC04790A","","","1.54178","CuKα","","0.1003","0.069","","","0.1555","0.172","","","","","","1.03","","","","has coordinates,has disorder","212916","2020-10-21","18:00:00",""
"1550432","24.9341","0.0005","15.1575","0.0003","22.1525","0.0004","90","","114.583","0.0006","90","","7613.4","0.3","193","2","193","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","[Pd(PNP-C1-Me)2](BF4)2","","- C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.98 -","- C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.978 -","- C262.24 H308.48 B8 Cl28.48 F32 N8 O33.52 P16 Pd3.912 -","4","0.5","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0529","0.0442","","","0.1134","0.1187","","","","","","1.071","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550433","12.3522","0.0003","26.1118","0.0006","13.6448","0.0003","90","","113.138","0.001","90","","4046.96","0.16","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[PdCl(PNP-C2-Me)](PF6)","","- C35 H30 Cl3 F6 N O4.4 P3 Pd -","- C35 H30 Cl3 F6 N O4.4 P3 Pd -","- C140 H120 Cl12 F24 N4 O17.6 P12 Pd4 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0424","0.0387","","","0.1017","0.1033","","","","","","1.088","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550434","12.9976","0.0002","18.6574","0.0003","14.6755","0.0002","90","","105.169","0.0005","90","","3434.83","0.09","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[PdCl2(PNP-C1-Me)]","","- C33 H38 Cl2 N2 O4 P2 Pd -","- C33 H38 Cl2 N2 O4 P2 Pd -","- C132 H152 Cl8 N8 O16 P8 Pd4 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0287","0.0249","","","0.0578","0.0598","","","","","","1.125","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550435","11.7989","0.0002","15.5485","0.0002","23.5593","0.0003","90","","101.232","0.0004","90","","4239.29","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[NiCl2(PNP-C1-iPr)]","","- C35 H41 Cl8 N Ni O4 P2 -","- C35 H41 Cl8 N Ni O4 P2 -","- C140 H164 Cl32 N4 Ni4 O16 P8 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0269","0.0242","","","0.0619","0.0637","","","","","","1.035","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550436","12.8814","0.0002","18.6698","0.0003","14.5746","0.0002","90","","105.006","0.0005","90","","3385.56","0.09","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[NiCl2(PNP-C1-Me)]","","- C33 H38 Cl2 N2 Ni O4 P2 -","- C33 H38 Cl2 N2 Ni O4 P2 -","- C132 H152 Cl8 N8 Ni4 O16 P8 -","4","1","","Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter","Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.","Faraday discussions","2019","215","0","141","161","10.1039/c8fd00162f","","","0.71073","MoKα","","0.0254","0.0216","","","0.0519","0.0537","","","","","","1.063","","","","has coordinates","224592","2020-10-21","18:00:00",""
"1550437","9.1366","0.0003","14.1095","0.0003","20.9641","0.0007","90","","90.052","0.003","90","","2702.54","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 La N9 O9 -","- C26 H18 La N9 O9 -","- C104 H72 La4 N36 O36 -","4","1","","Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran","Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance","Materials Horizons","2019","6","4","743","","10.1039/C8MH01241E","","","0.71073","MoKα","","0.0337","0.0275","","","0.069","0.0718","","","","","","1.064","","","","has coordinates","225362","2020-10-21","18:00:00",""
"1550438","15.0921","0.0016","10.8118","0.0008","19.5232","0.0017","90","","118.32","0.013","90","","2804.4","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Ce N9 O9 -","- C26 H18 Ce N9 O9 -","- C104 H72 Ce4 N36 O36 -","4","0.5","","Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran","Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance","Materials Horizons","2019","6","4","743","","10.1039/C8MH01241E","","","0.71073","MoKα","","0.0708","0.0503","","","0.1067","0.1187","","","","","","1.081","","","","has coordinates,has disorder","225362","2020-10-21","18:00:00",""
"1550439","14.3334","0.0003","5.56223","0.0001","8.53021","0.00019","90","","92.0219","0.0015","90","","679.65","0.02","350","","350","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","trans,trans,anti,trans,trans-Perhydropyrene","(1,2,3,3ar,4,5,5at,6,7,8,8at,9,10,10ac,10bt,10cc)-hexadecahydropyrene","","- C16 H26 -","- C16 H26 -","- C32 H52 -","2","0.5","","van de Streek, Jacco; Alig, Edith; Parsons, Simon; Vella-Zarb, Liana","A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data","IUCrJ","2019","6","1","136","144","10.1107/S205225251801686X","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.798495","1.04883","","","","","","","has coordinates","213006","2020-10-21","18:00:00",""
"1550440","7.2588","0.0003","8.9399","0.0004","22.7927","0.0009","90","","95.818","0.004","90","","1471.47","0.11","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl N2 O -","- C7 H15 Cl N2 O -","- C42 H90 Cl6 N12 O6 -","6","3","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0735","0.0517","","0.1277","0.1171","0.1277","","","","","","0.9968","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550441","13.4725","0.0002","9.8551","0.0001","32.7259","0.0004","90","","90","","90","","4345.11","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C112 H240 I16 N32 O16 -","16","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0529","0.0492","","0.1128","0.1105","0.1128","","","","","","1.0124","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550442","7.2902","0.0002","8.9099","0.0003","7.8789","0.0003","90","","107.024","0.003","90","","489.35","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Cl N2 O -","- C7 H15 Cl N2 O -","- C14 H30 Cl2 N4 O2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0358","0.0318","","0.0814","0.0785","0.0814","","","","","","0.9528","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550443","7.5269","0.0002","9.1017","0.0003","7.93","0.0003","90","","107.161","0.004","90","","519.08","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H15 Br N2 O -","- C7 H15 Br N2 O -","- C14 H30 Br2 N4 O2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0338","0.0293","","0.072","0.0703","0.072","","","","","","0.9715","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550444","7.585","0.0001","10.8242","0.0002","13.0468","0.0003","90","","90","","90","","1071.16","0.03","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C28 H60 I4 N8 O4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0138","0.0133","","0.0296","0.0294","0.0296","","","","","","0.9879","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550445","9.4006","0.0001","13.2619","0.0002","16.6581","0.0002","90","","90","","90","","2076.76","0.05","160","","160","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B Cl F4 N4 O2 -","- C14 H30 B Cl F4 N4 O2 -","- C56 H120 B4 Cl4 F16 N16 O8 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0349","0.0329","","0.0903","0.0888","0.0903","","","","","","0.996","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550446","6.106","0.0003","9.0317","0.0006","42.33","0.004","90","","90","","90","","2334.4","0.3","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br N2 O4 S -","- C22 H27 Br N2 O4 S -","- C88 H108 Br4 N8 O16 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0768","0.0669","","0.0915","0.0899","0.0915","","","","","","1.0929","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550447","6.2219","0.0001","9.0228","0.0001","43.0569","0.0005","90","","90","","90","","2417.17","0.05","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 I N2 O4 S -","- C22 H27 I N2 O4 S -","- C88 H108 I4 N8 O16 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0209","0.0206","","0.0525","0.0524","0.0525","","","","","","0.9845","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550448","6.3765","0.0001","8.8174","0.0001","42.942","0.0007","90","","90","","90","","2414.38","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O7 S -","- C22 H27 N3 O7 S -","- C88 H108 N12 O28 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0417","0.0389","","0.0928","0.0913","0.0928","","","","","","0.9931","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550449","8.7929","0.0001","12.6645","0.0001","23.7867","0.0002","82.3345","0.0007","81.4117","0.0007","89.9824","0.0007","2595.2","0.04","160","","160","","","","","","","","","6","P 1","P 1","1","","","","- C22 H32 N2 O9.5 P S -","- C22 H32 N2 O9.5 P S -","- C88 H128 N8 O38 P4 S4 -","4","4","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0519","0.0488","","0.1283","0.1259","0.1283","","","","","","0.9968","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550450","11.47377","0.00011","6.14747","0.00005","11.71348","0.00012","90","","111.978","0.0011","90","","766.164","0.014","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N2 O5 -","- C15 H24 N2 O5 -","- C30 H48 N4 O10 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0655","0.0656","","","","","","1.044","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550451","12.6065","0.0003","13.0726","0.0003","12.6694","0.0003","90","","106.397","0.003","90","","2003","0.09","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N6 O4 -","- C19 H23 Cl N6 O4 -","- C76 H92 Cl4 N24 O16 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","0.71073","MoKα","","0.0429","0.0357","","","0.1017","0.1059","","","","","","1.053","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550452","12.1482","0.0002","13.1848","0.0002","13.8251","0.00017","90.263","0.0012","90.218","0.0012","108.005","0.0015","2105.9","0.06","159.99","0.1","159.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl N6 O S -","- C20 H23 Cl N6 O S -","- C80 H92 Cl4 N24 O4 S4 -","4","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0599","0.0574","","","0.1344","0.1358","","","","","","1.05","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550453","12.46473","0.00013","12.98315","0.00016","13.42014","0.00013","90","","106.765","0.0011","90","","2079.49","0.04","159.99","0.1","159.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B Cl F4 N5 O -","- C19 H23 B Cl F4 N5 O -","- C76 H92 B4 Cl4 F16 N20 O4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0423","0.0415","","","0.1039","0.1042","","","","","","1.164","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550454","5.72587","0.00004","20.83882","0.0001","6.92054","0.00004","90","","98.3547","0.0005","90","","816.998","0.008","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.023","0.023","","","0.0611","0.0611","","","","","","1.068","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550455","5.8213","0.00007","7.27088","0.00008","15.90214","0.00013","94.7215","0.0008","96.6693","0.0008","109.525","0.0011","624.781","0.012","159.99","0.1","159.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C24 H38 N2 O8 -","- C24 H38 N2 O8 -","- C24 H38 N2 O8 -","1","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0275","0.027","","","0.0733","0.0735","","","","","","1.063","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550456","6.07189","0.00012","32.9414","0.0004","7.1383","0.0001","90","","114.168","0.002","90","","1302.63","0.04","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N2 O9 -","- C24 H38 N2 O9 -","- C48 H76 N4 O18 -","2","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","x-ray","1.54184","CuKα","","0.0429","0.0422","","","0.111","0.1114","","","","","","1.104","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550457","6.0401","0.0003","29.3553","0.0008","7.3828","0.0003","90","","112.806","0.005","90","","1206.7","0.1","159.99","0.1","160.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0787","0.0676","","","0.1823","0.1902","","","","","","1.092","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550458","11.7085","0.0003","16.9319","0.0003","15.2399","0.0004","90","","105.324","0.0019","90","","2913.85","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","","- C25 H24 Cl4 N2 P2 Pd -","- C25 H24 Cl4 N2 P2 Pd -","- C100 H96 Cl16 N8 P8 Pd4 -","4","1","SJ4198","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","1","x181803","","10.1107/S2414314618018035","","","0.71073","MoKα","","0.0277","0.0222","","","0.0559","0.0569","","","","","","1","","","","has coordinates,has Fobs","213469","2020-10-21","18:00:00",""
"1550459","5.7323","0.0003","9.2537","0.0005","21.6899","0.0012","90","","91.168","0.005","90","","1150.3","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C12 H14 Cl N O3 -","- C12 H14 Cl N O3 -","- C48 H56 Cl4 N4 O12 -","4","1","SJ4197","Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","IUCrData","2019","4","1","x190016","","10.1107/S2414314619000166","","x-ray","0.71073","MoKα","","0.0515","0.0438","","","0.0972","0.1012","","","","","","1.092","","","","has coordinates,has Fobs","213010","2020-10-21","18:00:00",""
"1550460","12.241","0.0004","5.9386","0.0002","25.2112","0.0009","90","","90.317","0.003","90","","1832.69","0.11","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","HB4279","Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","IUCrData","2019","4","1","x190036","","10.1107/S2414314619000361","","","1.54184","CuKα","","0.0931","0.0842","","","0.234","0.2445","","","","","","1.079","","","","has coordinates,has Fobs","213011","2020-10-21","18:00:00",""
"1550461","9.0801","0.0004","15.4598","0.0007","10.092","0.0004","90","","109.453","0.001","90","","1335.81","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","HB4275","Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A.","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","IUCrData","2019","4","1","x181799","","10.1107/S2414314618017996","","","0.71073","MoKα","","0.0625","0.0453","","","0.0943","0.101","","","","","","1.05","","","","has coordinates,has Fobs","213012","2020-10-21","18:00:00",""
"1550462","13.702","0.003","11.349","0.002","28.538","0.006","90","","92.999","0.005","90","","4431.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Cl2 N4 O7 -","- C52 H50 Cl2 N4 O7 -","- C208 H200 Cl8 N16 O28 -","4","1","","Lee, Jae Myoung; Kim, Sung Baek; Sim, Wonbo; Lee, Jai Young","25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-[3-(4-tricyanoethylene)phenyl]-3-aza-pentane-1,5-dioxy)calix[4]arene dichloromethane monosolvate","IUCrData","2019","4","1","x190026","","10.1107/S2414314619000269","","","0.71073","MoKα","","0.1665","0.0613","","","0.1261","0.1754","","","","","","0.88","","","","has coordinates,has Fobs","213013","2020-10-21","18:00:00",""
"1550463","5.7716","","8.7145","","6.3052","","90","","90","","90","","317.13","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","CuMgVO4","","","- Cu Mg O5 V -","- Cu Mg O4 V -","- Cu4 Mg4 O16 V4 -","4","0.25","","Gake, T.; Matsushita, S.; Arai, M.; Obata, K.","Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study","Journal of the Ceramic Society of Japan","2019","127","","50","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","213014","2020-10-21","18:00:00",""
"1550464","9.5314","","6.7696","","5.3618","","90","","90","","90","","345.964","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","AgMgVO4","","","- Ag Mg O5 V -","- Ag Mg O4 V -","- Ag4 Mg4 O16 V4 -","4","0.5","","Gake, T.; Matsushita, S.; Arai, M.; Obata, K.","Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study","Journal of the Ceramic Society of Japan","2019","127","","50","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","213015","2020-10-21","18:00:00",""
"1550465","13.125","0.003","17.799","0.003","21.46","0.004","90","","106.821","0.007","90","","4798.8","1.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H15 Cl2 F20 Ga N4 O2 -","- C52 H15 Cl2 F20 Ga N4 O2 -","- C208 H60 Cl8 F80 Ga4 N16 O8 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0769","0.0533","","","0.1143","0.127","","","","","","1.005","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550466","14.3965","0.0006","25.5948","0.001","13.8025","0.0006","90","","93.422","0.001","90","","5076.8","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 Cl0 F20 Ga N4 O5 -","- C52 H33 F20 Ga N4 O5 -","- C208 H132 F80 Ga4 N16 O20 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0992","0.0641","","","0.1566","0.1796","","","","","","1.081","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550467","14.5269","0.0018","7.3499","0.0009","12.7491","0.0018","90","","90","","90","","1361.2","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl3 Ga N4 -","- C8 H20 Cl3 Ga N4 -","- C32 H80 Cl12 Ga4 N16 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0196","0.0194","","","0.047","0.0472","","","","","","1.033","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550468","14.0662","0.0018","5.607","0.0008","26.055","0.003","90","","95.056","0.005","90","","2046.9","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H8 F20 Ga N4 O2 -","- C44 H8 F20 Ga N4 O2 -","- C88 H16 F40 Ga2 N8 O4 -","2","0.5","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","1.54178","CuKα","","0.0342","0.0303","","","0.0852","0.0879","","","","","","1.081","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550469","8.9227","0.0015","18.531","0.003","5.5268","0.0009","90","","90","","90","","913.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C2 H6 F3 N O6 S2 -","- C2 H6 F3 N O6 S2 -","- C8 H24 F12 N4 O24 S8 -","4","1","","D'Amato, Erica M.; Börgel, Jonas; Ritter, Tobias","Aromatic C‒H amination in hexafluoroisopropanol","Chemical Science","2019","","","","","10.1039/C8SC04966A","","","0.71073","MoKα","","0.0232","0.0228","","","0.0557","0.056","","","","","","1.08","","","","has coordinates","213030","2020-10-21","18:00:00",""
"1550470","10.367","0.002","12.452","0.003","15.704","0.003","69.094","0.005","88.918","0.006","67.783","0.005","1737.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Al2 Br2 -","- C34 H58 Al2 Br2 -","- C68 H116 Al4 Br4 -","2","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0987","0.08","","","0.2567","0.2664","","","","","","1.14","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550471","19.582","0.006","8.479","0.002","21.301","0.008","90","","93.33","0.02","90","","3530.8","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H58 Al2 Br2 -","- C34 H58 Al2 Br2 -","- C136 H232 Al8 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0428","0.037","","","0.1147","0.1182","","","","","","1.186","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550472","8.824","0.003","29.234","0.006","12.125","0.003","90","","108.8","0.02","90","","2960.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Al2 Br2 -","- C27 H44 Al2 Br2 -","- C108 H176 Al8 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0711","0.0378","","","0.0619","0.07","","","","","","1.014","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550473","17.2467","0.0017","13.0572","0.0009","18.6141","0.0016","90","","90","","90","","4191.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H68 Al2 N2 -","- C46 H68 Al2 N2 -","- C184 H272 Al8 N8 -","4","0.5","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.1067","0.0519","","","0.0955","0.1138","","","","","","1.006","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550474","9.4","0.005","14.876","0.009","13.886","0.009","90","","105.24","0.04","90","","1873","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Al Br2 -","- C17 H29 Al Br2 -","- C68 H116 Al4 Br8 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0725","0.0408","","","0.0747","0.0841","","","","","","0.999","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550475","10.6448","0.0018","10.6844","0.002","11.1041","0.0012","63.541","0.005","81.455","0.007","73.465","0.006","1083.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 Al2 Br3 -","- C17 H29 Al2 Br3 -","- C34 H58 Al4 Br6 -","2","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0154","0.0145","","","0.0347","0.035","","","","","","1.085","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550476","14.173","0.009","19.091","0.014","19.858","0.014","90","","109.37","0.02","90","","5069","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H87 Al3 O3 -","- C51 H87 Al3 O3 -","- C204 H348 Al12 O12 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.1473","0.0579","","","0.1072","0.137","","","","","","0.996","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550477","9.8915","0.0004","21.5331","0.0009","11.5146","0.0005","90","","90.457","0.001","90","","2452.47","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H38 Al2 Cl2 -","- C21 H38 Al2 Cl2 -","- C84 H152 Al8 Cl8 -","4","2","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0437","0.0338","","","0.0741","0.0778","","","","","","1.012","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550478","10.1424","0.0016","38.371","0.007","10.1825","0.0019","90","","105.719","0.013","90","","3814.6","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Al3 Br3 -","- C34 H58 Al3 Br3 -","- C136 H232 Al12 Br12 -","4","1","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.0331","0.0256","","","0.0496","0.0517","","","","","","1.068","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550479","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, Robert A.; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Correction: Enantioselective, convergent synthesis of the ineleganolide core by a tandem annulation cascade","Chemical Science","2019","","","","","10.1039/C8SC90236D","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","213056","2020-10-21","18:00:00",""
"1550480","7.599","0.0001","10.249","0.0001","10.488","0.0001","90","","109.1","0.001","90","","771.861","0.015","100.3","0.7","100.3","0.7","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C34 H34 Cl2 N4 O6 -","2","1","","Wu, Zijun; Wang, Jian","A tandem dearomatization/rearomatization strategy: enantioselective N-heterocyclic carbene-catalyzed α-arylation","Chemical Science","2019","","","","","10.1039/C8SC04601H","","x-ray","1.54184","CuKα","","0.0245","0.0244","","","0.0628","0.0629","","","","","","1.087","","","","has coordinates","213085","2020-10-21","18:00:00",""
"1550481","16.252","0.003","5.3787","0.0009","27.109","0.004","90","","90.551","0.012","90","","2369.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C23 H26 Br Cl N6 -","- C23 H26 Br Cl N6 -","- C92 H104 Br4 Cl4 N24 -","4","1","HB4278","Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2019","4","1","x190053","","10.1107/S2414314619000531","","","0.71073","MoKα","","0.1309","0.0534","","","0.1008","0.1243","","","","","","1.007","","","","has coordinates,has Fobs","213119","2020-10-21","18:00:00",""
"1550482","12.2257","0.0004","19.3422","0.0008","19.5199","0.0008","88.061","0.002","72.058","0.002","77.104","0.002","4277.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","FeIIITpivPP1-PhyIm2-Triflate","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C190 H180 Cl4 F6 Fe2 N24 O14 S2 -","2","1","PK4022","Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","IUCrData","2019","4","1","x190015","","10.1107/S2414314619000154","","","0.71073","MoKα","","0.08","0.0448","","","0.1032","0.1236","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","213120","2020-10-21","18:00:00",""
"1550483","8.3075","0.0003","10.4488","0.0004","15.563","0.0006","90","","92.202","0.002","90","","1349.92","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium bis(2-methyllactato)borate monohydrate","Poly[aqua[μ~4~-bis(2-methyllactato)borato]rubidium]","","- C8 H14 B O7 Rb -","- C8 H14 B O7 Rb -","- C32 H56 B4 O28 Rb4 -","4","1","WM4095","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Rubidium bis(2-methyllactato)borate monohydrate","IUCrData","2019","4","1","x190039","","10.1107/S2414314619000397","","","0.71073","MoKα","","0.1106","0.0513","","","0.0879","0.1046","","","","","","1.05","","","","has coordinates,has Fobs","213121","2020-10-21","18:00:00",""
"1550484","10.5467","0.0017","11.6469","0.0019","12.942","0.002","108.321","0.003","102.108","0.003","110.887","0.003","1313.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","","- C31 H26 N4 O2 S -","- C31 H26 N4 O2 S -","- C62 H52 N8 O4 S2 -","2","1","BT4080","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Srinivasan, N.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","IUCrData","2019","4","1","x190010","","10.1107/S2414314619000105","","","0.71073","MoKα","","0.0744","0.0612","","","0.1427","0.1513","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","213122","2020-10-21","18:00:00",""
"1550485","10.1607","0.0011","9.8856","0.0011","16.4378","0.0016","90","","102.188","0.01","90","","1613.9","0.3","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C67 H3 Cl O -","- C67 H3 Cl O -","- C134 H6 Cl2 O2 -","2","1","","Niu, Chuang; Zhou, Dian-Bing; Yang, Yong; Yin, Zheng-Chun; Wang, Guan-Wu","Retro Baeyer‒Villiger Reaction: Electrochemical Reduction of [60]Fullerene-Fused Lactones to [60]Fullerene-Fused Ketones","Chemical Science","2019","","","","","10.1039/C8SC05089A","","","1.54184","CuKα","","0.088","0.0714","","","0.202","0.223","","","","","","1.089","","","","has coordinates","213171","2020-10-21","18:00:00",""
"1550486","9.758","0.003","13.838","0.004","18.798","0.005","103.599","0.002","104.123","0.002","101.639","0.002","2300.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 Cl4 Ir N4 O6 -","- C52.999 H36.998 Cl3.998 Ir N4 O6 -","- C105.998 H73.996 Cl7.996 Ir2 N8 O12 -","2","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0534","0.0346","","","0.056","0.0594","","","","","","1.023","","","","has coordinates,has disorder","213213","2020-10-21","18:00:00",""
"1550487","14.7106","0.0011","23.3274","0.0017","12.5713","0.001","90","","90.352","0.001","90","","4313.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H37 B Cl3 Ir N2 O6 -","- C52 H37 B Cl3 Ir N2 O6 -","- C208 H148 B4 Cl12 Ir4 N8 O24 -","4","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0507","0.0397","","","0.1049","0.1107","","","","","","1.156","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550488","12.9285","0.0011","13.0934","0.0011","15.0271","0.0012","107.392","0.002","96.416","0.002","111.677","0.002","2183.9","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H35 B2 Cl2 Ir N2 O6 -","- C52 H35 B2 Cl2 Ir N2 O6 -","- C104 H70 B4 Cl4 Ir2 N4 O12 -","2","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0439","0.0367","","","0.1004","0.1036","","","","","","1.131","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550489","34.306","0.009","16.952","0.005","28.45","0.006","90","","126.132","0.012","90","","13363","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H43 B2 Ir N4 O6 -","- C61 H43 B2 Ir N4 O6 -","- C488 H344 B16 Ir8 N32 O48 -","8","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.049","0.0386","","","0.1145","0.1193","","","","","","1.023","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550490","10.3303","0.0007","31.873","0.002","13.6751","0.0009","90","","95.52","0.001","90","","4481.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cl3 Ir N2 O6 -","- C52 H40 Cl3 Ir N2 O6 -","- C208 H160 Cl12 Ir4 N8 O24 -","4","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0273","0.0234","","","0.0501","0.0536","","","","","","1.072","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550491","12.8021","0.0014","13.4779","0.0014","13.5356","0.0013","71.759","0.003","73.179","0.003","63.251","0.003","1950.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H36 Ir N3 O6 -","- C51 H36 Ir N3 O6 -","- C102 H72 Ir2 N6 O12 -","2","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0998","0.0565","","","0.0971","0.1116","","","","","","1.048","","","","has coordinates,has disorder","213213","2020-10-21","18:00:00",""
"1550492","16.7138","0.0005","25.8579","0.0004","16.5041","0.0005","90","","103.462","0.003","90","","6936.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 B2 Ir N6 O6 -","- C65 H55 B2 Ir N6 O6 -","- C260 H220 B8 Ir4 N24 O24 -","4","1","","li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua","B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes","Chemical Science","2019","","","","","10.1039/C8SC04252G","","","0.71073","MoKα","","0.0558","0.0375","","","0.076","0.0805","","","","","","1.073","","","","has coordinates","213213","2020-10-21","18:00:00",""
"1550493","11.5425","0.0005","20.2515","0.0009","8.2218","0.0004","90","","92.176","0.002","90","","1920.48","0.15","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C80 H80 Cl4 N4 O8 S4 -","4","1","","Lei, Aiwen; Li, Dan-Dan; Li, Shuaibing; Peng, Chong; Lu, Lijun; Wang , Shengchun; Wang, Pan; Chen, Yi-Hung; Cong, Hengjiang","Electrochemical Oxidative C-H/S-H Cross-Coupling between Enamines and Thiophenols with H2 Evolution","Chemical Science","2019","","","","","10.1039/C8SC05143G","","","0.71073","MoKα","","0.0543","0.0408","","","0.1063","0.1159","","","","","","1.03","","","","has coordinates","213214","2020-10-21","18:00:00",""
"1550494","8.4638","0.0005","11.1799","0.0007","5.8353","0.0004","90","","90","","90","","552.16","0.06","100","2","100","2","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V)","","- As4 Ba H6 O14 -","- As4 Ba H6 O14 -","- As8 Ba2 H12 O28 -","2","0.25","BT4081","Weil, Matthias","The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms","IUCrData","2019","4","1","","","10.1107/S2414314619000750","","","0.71073","MoKα","","0.019","0.0149","","","0.0314","0.0323","","","","","","1.051","","","","has coordinates,has Fobs","213227","2020-10-21","18:00:00",""
"1550495","9.9327","0.0001","18.4467","0.0003","15.8535","0.0002","90","","104.801","0.002","90","","2808.38","0.07","149.93","0.15","149.93","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 O P Sn -","- C35 H27 O P Sn -","- C140 H108 O4 P4 Sn4 -","4","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0314","0.0301","","","0.0788","0.0802","","","","","","1.05","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550496","12.7694","0.0003","7.3282","0.0003","38.4557","0.001","90","","90","","90","","3598.56","0.19","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Au Cl N O P -","- C19 H16 Au Cl N O P -","- C152 H128 Au8 Cl8 N8 O8 P8 -","8","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0589","0.0491","","","0.1287","0.1388","","","","","","1.041","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550497","15.3119","0.0001","21.8107","0.0002","28.8693","0.0002","90","","99.077","0.001","90","","9520.55","0.13","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H77 Au6 Cl5 O5 P5 S -","- C92 H77 Au6 Cl5 O5 P5 S -","- C368 H308 Au24 Cl20 O20 P20 S4 -","4","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.07","0.0666","","","0.171","0.1722","","","","","","1.119","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550498","7.3741","0.0006","7.5275","0.0007","11.8201","0.001","78.77","0.007","87.887","0.007","67.556","0.008","594.3","0.1","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cl2 Cu2 N2 O6 P2 -","- C18 H20 Cl2 Cu2 N2 O6 P2 -","- C18 H20 Cl2 Cu2 N2 O6 P2 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0689","0.0636","","","0.1843","0.1994","","","","","","1.068","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550499","14.7461","0.0006","15.0636","0.0007","22.964","0.0007","87.081","0.003","75.816","0.003","63.403","0.004","4412","0.4","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C187 H158 Cl6 Cu8 O8 P16 -","- C187 H158 Cl6 Cu8 O8 P16 -","- C187 H158 Cl6 Cu8 O8 P16 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","","0.71073","MoKα","","0.1296","0.0579","","","0.1109","0.1258","","","","","","0.826","","","","has coordinates,has disorder","213240","2020-10-21","18:00:00",""
"1550500","9.1382","0.0008","11.4943","0.0008","12.1632","0.0007","79.859","0.005","71.565","0.006","66.823","0.007","1112.26","0.15","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 Cu2 O4 P4 -","- C40 H60 Cl2 Cu2 O4 P4 -","- C40 H60 Cl2 Cu2 O4 P4 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0563","0.0503","","","0.1304","0.1397","","","","","","1.035","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550501","8.0889","0.0004","9.7187","0.0005","10.6284","0.0005","78.259","0.004","87.754","0.004","80.431","0.004","806.66","0.07","290.85","0.1","290.85","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cl2 Cu2 O4 P4 -","- C28 H36 Cl2 Cu2 O4 P4 -","- C28 H36 Cl2 Cu2 O4 P4 -","1","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0571","0.0555","","","0.1528","0.1545","","","","","","1.121","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550502","27.5839","0.001","9.1559","0.0002","28.119","0.0011","90","","121.726","0.005","90","","6040.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H80 Na2 O15 P2 -","- C62 H80 Na2 O15 P2 -","- C248 H320 Na8 O60 P8 -","4","0.5","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","","1.54184","CuKα","","0.0447","0.0381","","","0.097","0.1015","","","","","","1.061","","","","has coordinates,has disorder","213240","2020-10-21","18:00:00",""
"1550503","17.1019","0.0013","3.8793","0.0003","21.547","0.002","90","","97.229","0.009","90","","1418.1","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl Cu O P -","- C17 H13 Cl Cu O P -","- C68 H52 Cl4 Cu4 O4 P4 -","4","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.1146","0.0907","","","0.2423","0.281","","","","","","1.036","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550504","10.7949","0.0004","11.5285","0.0006","11.9802","0.0005","87.576","0.004","84.28","0.004","71.512","0.004","1406.85","0.11","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H27 Au O P2 -","- C35 H27 Au O P2 -","- C70 H54 Au2 O2 P4 -","2","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.055","0.049","","","0.1211","0.1281","","","","","","1.028","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550505","6.9557","0.0008","7.4897","0.0008","41.571","0.005","90","","90","","90","","2165.7","0.4","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N4 O12 -","- C19 H24 N4 O12 -","- C76 H96 N16 O48 -","4","1","","Shi, Jing; Zeng, Ying Jie; Zhang, Bo; Shao, Fen Li; Chen, Yan-Chi; Xu, Xiang; Sun, Yang; Xu, Qiang; Tan, Ren Xiang; Ge, Hui Ming","Comparative Genome Mining and Heterologous Expression of an Orphan NRPS Gene Cluster Directs the Production of Ashimides","Chemical Science","2019","","","","","10.1039/C8SC05670F","","","1.54178","CuKα","","0.0495","0.0422","","","0.0938","0.0976","","","","","","1.044","","","","has coordinates","213241","2020-10-21","18:00:00",""
"1550506","11.6286","0.0001","14.8501","0.0001","14.9589","0.0001","90","","99.332","0.001","90","","2549","0.03","150","2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl2 Si Zr -","- C26 H36 Cl2 Si Zr -","- C104 H144 Cl8 Si4 Zr4 -","4","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0239","0.0213","","","0.0528","0.0546","","","","","","1.027","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550507","52.0095","0.0012","19.2685","0.0005","8.6866","0.0002","90","","90","","90","","8705.2","0.4","150","2","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H28 Br2 Si Zr -","- C22 H28 Br2 Si Zr -","- C352 H448 Br32 Si16 Zr16 -","16","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0229","0.0227","","","0.0574","0.0575","","","","","","1.029","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550508","8.7586","0.0002","11.3702","0.0003","14.6917","0.0004","104.583","0.002","94.052","0.002","103.622","0.002","1362.94","0.06","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl2 Si Zr -","- C26 H36 Cl2 Si Zr -","- C52 H72 Cl4 Si2 Zr2 -","2","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0245","0.0218","","","0.0545","0.0564","","","","","","1.053","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550509","52.131","0.0014","19.346","0.0005","8.7251","0.0003","90","","90","","90","","8799.5","0.4","150","2","150.01","0.16","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H34 Si Zr -","- C24 H34 Si Zr -","- C384 H544 Si16 Zr16 -","16","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0185","0.0181","","","0.0417","0.0421","","","","","","1.052","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550510","12.4776","0.0006","14.8663","0.0012","17.9117","0.0005","100.463","0.005","101.218","0.004","105.208","0.006","3048.5","0.3","150","2","149.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 Si Zr -","- C36 H42 Si Zr -","- C144 H168 Si4 Zr4 -","4","2","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.1746","0.1518","","","0.3524","0.3705","","","","","","1.484","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550512","9.7427","0.0014","13.5639","0.0019","21.658","0.003","90","","90","","90","","2862.1","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H28 O2 -","- C41 H28 O2 -","- C164 H112 O8 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi","Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0533","0.0419","","","0.102","0.1106","","","","","","0.999","","","","has coordinates","213265","2020-10-21","18:00:00",""
"1550513","12.8537","0.0019","13.3132","0.0018","11.8696","0.0017","90","","114.474","0.002","90","","1848.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br O -","- C26 H17 Br O -","- C104 H68 Br4 O4 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi","Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0597","0.0395","","","0.0907","0.0986","","","","","","1","","","","has coordinates","213265","2020-10-21","18:00:00",""
"1550514","8.1149","0.0002","14.8158","0.0003","12.0097","0.0003","90","","104.644","0.003","90","","1397.01","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 As5 Cr2 -","- C10 H10 As5 Cr2 -","- C40 H40 As20 Cr8 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","1.54178","CuKα","","0.0747","0.0711","","","0.2017","0.2049","","","","","","1.075","","","","has coordinates","213266","2020-10-21","18:00:00",""
"1550515","30.4118","0.0004","29.4289","0.0002","28.8188","0.0003","90","","112.875","0.001","90","","23764","0.5","123","0.3","123","0.3","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C130.61 H192.4 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.83 P55 -","- C130.61 H192.395 As5 Cl19.27 Cr2 Cu13.35 Fe11 N3.825 P55 -","- C522.44 H769.58 As20 Cl77.08 Cr8 Cu53.4 Fe44 N15.3 P220 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","1.54178","CuKα","","0.0642","0.0562","","","0.1412","0.1445","","","","","","1.009","","","","has coordinates,has disorder","213266","2020-10-21","18:00:00",""
"1550516","27.08802","0.00013","33.62013","0.00012","25.36593","0.00011","90","","103.351","0.0005","90","","22476.5","0.17","80","2","80","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55 -","- C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55 -","- C500.8 H738 As20 Br58.2 Cl27.2 Cr8 Cu58.2 Fe44 N3.6 P220 -","4","1","","Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred","From Nano-Balls to Nano-Bowls","Chemical Science","2019","","","","","10.1039/C8SC05471A","","x-ray","0.6199","synchrotron","","0.0483","0.0395","","","0.1057","0.1076","","","","","","0.982","","","","has coordinates,has disorder","213266","2020-10-21","18:00:00",""
"1550518","14.0201","0.0007","17.4488","0.0008","7.8775","0.0003","90","","90","","90","","1927.1","0.15","296","","296","2","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","","- C27 H17 Cl O -","- C27 H17 Cl O -","- C108 H68 Cl4 O4 -","4","1","","Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","IUCrData","2019","4","1","x181846","","10.1107/S2414314618018461","","","0.71073","MoKα","","0.0589","0.046","","0.0526","0.0518","0.0526","","","","","","0.6074","","","","has coordinates,has Fobs","213290","2020-10-21","18:00:00",""
"1550519","6.4192","0.0004","32.5924","0.0018","11.989","0.0006","90","","99.366","0.004","90","","2474.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NCL830","","","- C26 H34 B N O4 S -","- C26 H34 B N O4 S -","- C104 H136 B4 N4 O16 S4 -","4","1","","Cabrera-Lobera, Natalia; Quirós, M. Teresa; Buñuel, Elena; Cardenas, Diego J.","Atom-Economical Regioselective Ni-Catalyzed Hydroborylative Cyclization of Enynes: Development and Mechanism","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02568A","","","0.71073","MoKα","","0.1042","0.0514","","","0.1","0.1257","","","","","","1.005","","","","has coordinates","213299","2020-10-21","18:00:00",""
"1550520","14.0525","0.0003","7.8134","0.0001","12.8242","0.0002","90","","91.848","0.002","90","","1407.34","0.04","129.9","0.1","129.9","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tyraminium violurate monohydrate","'2-(4-hydroxyphenyl)ethanaminium [(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]oxidanide hydrate'","","- C12 H16 N4 O6 -","- C12 H16 N4 O6 -","- C48 H64 N16 O24 -","4","1","YC5016","Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta","Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate","IUCrJ","2019","6","2","","","10.1107/S2052252518017037","","","0.71073","MoKα","","0.0581","0.04","","","0.0888","0.0989","","","","","","1.052","","","","has coordinates","213314","2020-10-21","18:00:00",""
"1550521","6.8711","0.0013","15.119","0.002","11.884","0.002","90","","91.858","0.016","90","","1233.9","0.4","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tyraminium violurate","'2-(4-hydroxyphenyl)ethanaminium [(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]oxidanide'","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","YC5016","Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta","Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate","IUCrJ","2019","6","2","","","10.1107/S2052252518017037","","","0.71073","MoKα","","0.1865","0.0673","","","0.1472","0.1774","","","","","","0.875","","","","has coordinates","213314","2020-10-21","18:00:00",""
"1550522","13.2706","0.0012","7.651","0.0003","13.1269","0.0009","90","","102.097","0.008","90","","1303.22","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tyraminium violurate","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","YC5016","Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta","Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate","IUCrJ","2019","6","2","","","10.1107/S2052252518017037","","x-ray","1.54184","CuKα","","0.124","0.0807","","","0.2102","0.2533","","","","","","1.052","","","","has coordinates","213314","2020-10-21","18:00:00",""
"1550523","13.3925","0.0003","25.1226","0.0008","27.0041","0.0009","90","","90","","90","","9085.6","0.5","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Mn9-lipoate Lambda-Lambda enantiomer","","- C78 H102 Cl Mn9 N6 O28 S6 -","- C78 H102 Cl Mn9 N6 O28 S6 -","- C312 H408 Cl4 Mn36 N24 O112 S24 -","4","1","","Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios","Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet","Chemical Science","2019","","","","","10.1039/C8SC04917C","","x-ray","0.71073","MoKα","","0.0661","0.0591","","","0.1619","0.1696","","","","","","1.037","","","","has coordinates,has disorder","213329","2020-10-21","18:00:00",""
"1550524","13.4007","0.0006","25.1409","0.0011","26.8999","0.0012","90","","90","","90","","9062.7","0.7","122","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Mn9-lipoate Delta-Delta enantiomer","","- C78 H102 Cl Mn9 N6 O28 S6 -","- C78 H102 Cl Mn9 N6 O28 S6 -","- C312 H408 Cl4 Mn36 N24 O112 S24 -","4","1","","Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios","Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet","Chemical Science","2019","","","","","10.1039/C8SC04917C","","x-ray","0.71073","MoKα","","0.0547","0.0483","","","0.1202","0.1249","","","","","","1.045","","","","has coordinates,has disorder","213329","2020-10-21","18:00:00",""
"1550525","5.8911","0.0001","12.299","0.0003","22.4992","0.0005","90","","90","","90","","1630.17","0.06","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Breit, Bernhard; Schmidt, Johannes","Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G","Chemical Science","2019","","","","","10.1039/C8SC05502E","","x-ray","0.71073","MoKα","","0.042","0.0359","","","0.0856","0.089","","","","","","1.03","","","","has coordinates","213330","2020-10-21","18:00:00",""
"1550526","8.136","0.008","17.429","0.015","13.045","0.014","90","","105.2","0.03","90","","1785","3","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Breit, Bernhard; Schmidt, Johannes","Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G","Chemical Science","2019","","","","","10.1039/C8SC05502E","","x-ray","0.71073","MoKα","","0.0383","0.0349","","","0.0863","0.0884","","","","","","1.058","","","","has coordinates,has disorder","213330","2020-10-21","18:00:00",""
"1550527","9.07481","0.00016","15.022","0.0002","12.762","0.0002","90","","99.1959","0.0016","90","","1717.38","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C84 H76 N4 O16 S4 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.0403","0.0396","","","0.1059","0.1068","","","","","","1.024","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550528","12.3488","0.0002","9.82302","0.00014","19.2566","0.0004","90","","108.549","0.002","90","","2214.53","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O4 S -","- C28 H25 N O4 S -","- C112 H100 N4 O16 S4 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.0519","0.0479","","","0.126","0.1277","","","","","","1.156","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550529","9.68936","0.00019","16.6569","0.0004","15.2343","0.0003","90","","94.933","0.002","90","","2449.63","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 N2 O7 S -","- C28 H24 N2 O7 S -","- C112 H96 N8 O28 S4 -","4","2","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.061","0.057","","","0.1522","0.1593","","","","","","1.026","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550530","13.78","0.003","9.3801","0.0019","14.41","0.003","90","","92.893","0.004","90","","1860.2","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C88 H84 N4 O16 S4 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","","0.71073","MoKα","","0.0629","0.053","","","0.1299","0.1365","","","","","","1.07","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550531","5.45155","0.00015","18.5193","0.0004","11.2116","0.0003","90","","102.137","0.003","90","","1106.61","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C56 H48 F4 N4 O8 -","4","1","","Li, Long; Zhu, Xin-Qi; Zhang, Ying-Qi; Bu, Hao-Zhen; Yuan, Peng; Chen, Jinyu; Su, Jingyi; Deng, Xianming; Ye, Long-Wu","Metal-Free Alkene Carbooxygenation Following Tandem Intramolecular Alkoxylation/Claisen Rearrangement: Stereocontrolled Access to Bridged [4.2.1] Lactones","Chemical Science","2019","","","","","10.1039/C9SC00079H","","x-ray","1.54184","CuKα","","0.0407","0.0394","","","0.1022","0.1032","","","","","","1.044","","","","has coordinates","213331","2020-10-21","18:00:00",""
"1550532","9.9629","0.0002","10.4616","0.0002","18.5419","0.0003","90","","90.923","0.001","90","","1932.33","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","2","","Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark","Pd-Catalyzed Dearomative Arylborylation of Indoles","Chemical Science","2019","","","","","10.1039/C8SC05737K","","","1.54178","CuKα","","0.041","0.0401","","","0.1036","0.1049","","","","","","1.043","","","","has coordinates,has disorder","213332","2020-10-21","18:00:00",""
"1550533","12.1248","0.0013","14.1447","0.0015","14.1468","0.0015","90","","90","","90","","2426.2","0.4","113","","113","","","","","","","","","4","I 2 2 2","I 2 2","23","1a","1a","","- C36 H72 Mn4 O16 -","- C36 H68.8 Mn4 O16 -","- C72 H137.6 Mn8 O32 -","2","0.25","","Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi","Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters","Chemical Science","2019","","","","","10.1039/C8SC05819A","","","0.71075","MoKα","","0.0255","0.0249","","","0.0716","0.0722","","","","","","1.09","","","","has coordinates,has disorder","213371","2020-10-21","18:00:00",""
"1550534","10.4733","0.001","20.948","0.002","10.6581","0.0011","90","","94.542","0.002","90","","2331","0.4","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","6a","","- C52 H54 Mn2 N4 O6 -","- C52 H54 Mn2 N4 O6 -","- C104 H108 Mn4 N8 O12 -","2","0.5","","Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi","Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters","Chemical Science","2019","","","","","10.1039/C8SC05819A","","","0.71075","MoKα","","0.0477","0.0348","","","0.0927","0.0969","","","","","","1.071","","","","has coordinates,has disorder","213371","2020-10-21","18:00:00",""
"1550535","7.2595","0.0008","27.492","0.003","7.963","0.0009","90","","113.072","0.008","90","","1462.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","IUCrData","2019","4","1","x190094","","10.1107/S2414314619000944","","","0.71073","MoKα","","0.099","0.0479","","","0.1218","0.1407","","","","","","0.833","","","","has coordinates,has Fobs","213391","2020-10-21","18:00:00",""
"1550536","12.1865","0.0008","7.6666","0.0005","14.1087","0.0009","90","","111.467","0.002","90","","1226.72","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,2'-methylenedipyridine)zinc(II)","","- C11 H10 Cl2 N2 Zn -","- C11 H10 Cl2 N2 Zn -","- C44 H40 Cl8 N8 Zn4 -","4","1","SJ4199","Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy","Dichlorido(2,2'-methylenedipyridine)zinc(II)","IUCrData","2019","4","1","x190131","","10.1107/S2414314619001317","","","0.71073","MoKα","","0.0224","0.0208","","","0.0569","0.0579","","","","","","1.056","","","","has coordinates,has Fobs","213392","2020-10-21","18:00:00",""
"1550537","39.183","0.002","9.5561","0.0005","17.8539","0.0011","90","","102.731","0.002","90","","6520.8","0.6","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H43 F6 Ir2 N12 P -","- C56 H43 F6 Ir2 N12 P -","- C224 H172 F24 Ir8 N48 P4 -","4","0.5","","Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan","Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation","Chemical Science","2019","","","","","10.1039/C8SC04520H","","","0.71073","MoKα","","0.051","0.0313","","","0.0703","0.0813","","","","","","1.047","","","","has coordinates","213410","2020-10-21","18:00:00",""
"1550538","10.9356","0.0003","15.8786","0.0004","33.0214","0.0012","90","","90","","90","","5733.9","0.3","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan","Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation","Chemical Science","2019","","","","","10.1039/C8SC04520H","","x-ray","1.54184","CuKα","","0.0637","0.044","","","0.1183","0.1324","","","","","","1.039","","","","has coordinates","213410","2020-10-21","18:00:00",""
"1550539","9.8783","0.0011","9.9409","0.0011","12.3344","0.0014","70.99","0.02","75.17","0.02","63.05","0.02","1012.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H6 Cl6 -","- C72 H6 Cl6 -","- C72 H6 Cl6 -","1","0.5","","Lei, Yilong; Wang, Shaoyan; Lai, Zhuangchai; Yao, Xin; Zhao, Yanli; Zhang, Hua; Chen, Hongyu","Two-dimensional C<sub>60</sub> nano-meshes via crystal transformation.","Nanoscale","2019","11","18","8692","8698","10.1039/c8nr09329f","","","0.71073","MoKα","","0.0695","0.0444","","","0.0949","0.1068","","","","","","1.01","","","","has coordinates","224666","2020-10-21","18:00:00",""
"1550540","10.087","0.003","7.349","0.002","19.442","0.006","90","","101.276","0.006","90","","1413.4","0.7","220","2","220.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","","- C14 H8 N4 Pt S2 -","- C14 H8 N4 Pt S2 -","- C56 H32 N16 Pt4 S8 -","4","1","","Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W.","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","IUCrData","2019","4","1","x190158","","10.1107/S2414314619001585","","","0.71073","MoKα","","0.0431","0.0318","","","0.0752","0.0814","","","","","","1.049","","","","has coordinates,has Fobs","213446","2020-10-21","18:00:00",""
"1550541","17.8925","0.0015","7.4168","0.0006","11.5006","0.0009","90","","102.061","0.008","90","","1492.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C17 H11 Cl N4 O2 -","- C17 H11 Cl N4 O2 -","- C68 H44 Cl4 N16 O8 -","4","1","HB4282","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M.","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2019","4","1","x190136","","10.1107/S2414314619001366","","","0.71073","MoKα","","0.0734","0.0453","","","0.0966","0.1116","","","","","","1.059","","","","has coordinates,has Fobs","213447","2020-10-21","18:00:00",""
"1550542","16.8696","0.0012","7.5226","0.0006","9.054","0.0006","90","","90","","90","","1148.98","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","","- C10 H12 N2 Pt S2 -","- C10 H12 N2 Pt S2 -","- C40 H48 N8 Pt4 S8 -","4","0.5","TK4054","Ha, Kwang","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","IUCrData","2019","4","1","x190162","","10.1107/S2414314619001627","","","0.71073","MoKα","","0.0202","0.0187","","","0.0437","0.0445","","","","","","1.105","","","","has coordinates,has Fobs","213448","2020-10-21","18:00:00",""
"1550543","7.185","0.0006","7.8479","0.0007","8.9932","0.0008","68.572","0.001","88.393","0.002","74.975","0.001","454.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","WM5482","Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A.","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","IUCrData","2019","4","1","x190128","","10.1107/S2414314619001287","","","1.54178","CuKα","","0.0307","0.0287","","","0.0715","0.0729","","","","","","1.079","","","","has coordinates,has Fobs","213449","2020-10-21","18:00:00",""
"1550544","8.65","0.0003","12.2882","0.0005","13.5191","0.0005","108.311","0.004","90.582","0.003","100.254","0.003","1339.07","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H78 Mg2 N4 -","- C64 H78 Mg2 N4 -","- C64 H78 Mg2 N4 -","1","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0718","0.0533","","","0.1382","0.1501","","","","","","1.043","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550545","15.3389","0.0006","14.0741","0.0005","23.7894","0.001","90","","90","","90","","5135.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H70 Mg2 N4 -","- C60 H70 Mg2 N4 -","- C240 H280 Mg8 N16 -","4","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1308","0.0712","","","0.184","0.21","","","","","","1.065","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550546","14.733","0.003","27.815","0.006","11.021","0.002","90","","90","","90","","4516.4","1.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H114 B2 Cd2 N6 Si2 -","- C93 H114 B2 Cd2 N6 Si2 -","- C186 H228 B4 Cd4 N12 Si4 -","2","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.7109","Synchrotron","","0.045","0.0424","","","0.1101","0.1119","","","","","","1.123","","","","has coordinates,has disorder","213486","2020-10-21","18:00:00",""
"1550547","13.659","0.004","14.429","0.004","15.718","0.005","67.851","0.01","79.39","0.01","66.344","0.01","2626.1","1.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H68 Mg2 N4 -","- C60 H68 Mg2 N4 -","- C120 H136 Mg4 N8 -","2","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.164","0.0916","","","0.2142","0.265","","","","","","1.039","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550548","19.9645","0.0007","11.2773","0.0004","22.9784","0.0008","90","","93.089","0.003","90","","5166","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C59 H76 Mg2 N4 -","- C59 H76 Mg2 N4 -","- C236 H304 Mg8 N16 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1031","0.0921","","","0.2567","0.2705","","","","","","1.047","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550549","10.9999","0.0004","12.4537","0.0005","13.2073","0.0005","92.95","0.002","90.257","0.002","108.041","0.001","1717.63","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 B2 N6 Si2 Zn2 -","- C72 H100 B2 N6 Si2 Zn2 -","- C72 H100 B2 N6 Si2 Zn2 -","1","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0595","0.0365","","","0.0742","0.0825","","","","","","1.024","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550550","23.4536","0.0017","11.0309","0.0007","33.833","0.002","90","","92.003","0.003","90","","8747.7","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H116 B2 Cd2 I2 N6 Si2 -","- C94 H116 B2 Cd2 I2 N6 Si2 -","- C376 H464 B8 Cd8 I8 N24 Si8 -","4","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0853","0.0676","","","0.1241","0.1299","","","","","","1.248","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550551","11.1004","0.0001","16.2687","0.0003","18.3324","0.0002","90","","103.171","0.001","90","","3223.54","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H80 Mg2 N2 Si2 -","- C76 H80 Mg2 N2 Si2 -","- C152 H160 Mg4 N4 Si4 -","2","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","1.54184","CuKα","","0.0584","0.0451","","","0.1129","0.1199","","","","","","1.062","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550552","18.7478","0.001","12.7752","0.0009","20.4162","0.001","90","","100.287","0.005","90","","4811.2","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 Mg2 N4 -","- C56 H62 Mg2 N4 -","- C224 H248 Mg8 N16 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0592","0.0399","","","0.0906","0.1018","","","","","","1.026","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550553","11.053","0.0007","12.9063","0.0009","23.4106","0.0016","99.68","0.006","97.495","0.006","95.233","0.005","3242","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H98 Ge Mg N3 Si -","- C74 H98 Ge Mg N3 Si -","- C148 H196 Ge2 Mg2 N6 Si2 -","2","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1057","0.0748","","","0.1753","0.1982","","","","","","1.08","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550554","14.8102","0.0004","18.9756","0.0004","31.5018","0.0009","90","","98.531","0.002","90","","8755.1","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C103 H120 N2 Si2 Zn2 -","- C103 H120 N2 Si2 Zn2 -","- C412 H480 N8 Si8 Zn8 -","4","1","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.0634","0.046","","","0.0852","0.0917","","","","","","1.02","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550555","19.1394","0.0008","8.9002","0.0003","19.2392","0.0008","90","","107.39","0.004","90","","3127.5","0.2","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4j","","- C22 H17 N2 O0.5 -","- C22 H16 N2 O0.5 -","- C176 H128 N16 O4 -","8","1","","Obata, Atsushi; Sasagawa, Akane; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Nickel-Catalyzed Oxidative C-H/N-H Annulation of N-Heteroaromatic Compounds with Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05063E","","","0.71075","MoKα","","0.0602","0.0531","","","0.1453","0.1548","","","","","","1.091","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550556","8.0732","0.0003","30.9671","0.0009","10.1196","0.0004","90","","97.056","0.004","90","","2510.78","0.16","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-vBX","","- C25 H26 I N O6 S -","- C25 H26 I N O6 S -","- C100 H104 I4 N4 O24 S4 -","4","1","","Caramenti, Paola; Declas, Nina; Tessier, Romain; Wodrich, Matthew D.; Waser, Jerome","Stereoselective Synthesis of Alkyl-, Aryl-, Vinyl- and Alkynyl-Substituted Z- Enamides and Enol Ethers","Chemical Science","2019","","","","","10.1039/C8SC05573D","","x-ray","1.54184","CuKα","","0.0796","0.0738","","","0.1897","0.1935","","","","","","1.109","","","","has coordinates","213488","2020-10-21","18:00:00",""
"1550557","10.6585","0.0003","11.7628","0.0004","17.3425","0.0006","90.309","0.001","91.012","0.001","112.41","0.001","2009.6","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","17076_Complex-1","Lu(iPr2PCH2NPh)3","","- C39 H63 Lu N3 P3 -","- C39 H63 Lu N3 P3 -","- C78 H126 Lu2 N6 P6 -","2","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","0.71073","MoKα","","0.0392","0.0289","","","0.0488","0.0511","","","","","","1.012","","","","has coordinates","213489","2020-10-21","18:00:00",""
"1550558","12.9011","0.0007","14.025","0.0007","25.5191","0.0014","90","","94.979","0.002","90","","4599.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","17111_Complex-3","NiLu(iPr2PCH2NPh)3","","- C46 H71 Lu N3 Ni P3 -","- C46 H71 Lu N3 Ni P3 -","- C184 H284 Lu4 N12 Ni4 P12 -","4","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","0.71073","MoKα","","0.0661","0.0345","","","0.0602","0.0687","","","","","","0.997","","","","has coordinates,has disorder","213489","2020-10-21","18:00:00",""
"1550559","11.5369","0.0005","38.7027","0.0014","11.85","0.0004","90","","112.211","0.002","90","","4898.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","16056_Complex-2","Lu(iPr2PCH2NAr)3tacn","","- C48 H79 Lu N6 P3 -","- C48 H79 Lu N6 P3 -","- C192 H316 Lu4 N24 P12 -","4","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","1.54178","CuKα","","0.0507","0.0334","","","0.0665","0.0726","","","","","","1.012","","","","has coordinates","213489","2020-10-21","18:00:00",""
"1550560","11.4262","0.001","12.1111","0.0011","17.7291","0.0016","76.841","0.001","81.233","0.001","68.244","0.001","2212.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16244_Complex-3-THF","NiLu(iPr2PCH2NPh)3(C4H8O)","","- C43 H71 Lu N3 Ni O P3 -","- C43 H71 Lu N3 Ni O P3 -","- C86 H142 Lu2 N6 Ni2 O2 P6 -","2","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","0.71073","MoKα","","0.0353","0.0282","","","0.0555","0.0586","","","","","","1.036","","","","has coordinates","287893","2023-11-30","16:09:58",""
"1550561","10.7814","0.0002","10.8562","0.0002","20.1873","0.0004","78.273","0.001","79.603","0.001","78.339","0.001","2241.69","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","16087_Complex-2","NiLu(iPr2PCH2NAr)3tacn","","- C45 H72 Lu N6 Ni P3 -","- C45 H72 Lu N6 Ni P3 -","- C90 H144 Lu2 N12 Ni2 P6 -","2","1","","Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura","Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment","Chemical Science","2019","","","","","10.1039/C8SC04712J","","","1.54178","CuKα","","0.0342","0.0283","","","0.0618","0.0639","","","","","","1.054","","","","has coordinates,has disorder","213489","2020-10-21","18:00:00",""
"1550562","11.679","0.002","22.808","0.005","15.234","0.003","90","","108.9","0.03","90","","3839.2","1.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cu2.01 Li1.99 N4 -","- C36 H72 Cu2.0115 Li1.9885 N4 -","- C144 H288 Cu8.046 Li7.954 N16 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","0.71073","MoKα","","0.0609","0.0478","","","0.102","0.1051","","","","","","1.242","","","","has coordinates,has disorder","213502","2020-10-21","18:00:00",""
"1550563","11.3883","0.0002","18.8747","0.0004","31.9081","0.0007","90","","90","","90","","6858.7","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H59 Cu3.12 Li0.88 N3 -","- C33 H59 Cu3.124 Li0.876 N3 -","- C264 H472 Cu24.992 Li7.008 N24 -","8","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.058","0.0491","","","0.1036","0.1063","","","","","","1.28","","","","has coordinates,has disorder","213502","2020-10-21","18:00:00",""
"1550564","11.2175","0.0004","15.925","0.0006","18.9824","0.0007","90","","90","","90","","3391","0.2","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H59 Cu4 N3 -","- C33 H59 Cu4 N3 -","- C132 H236 Cu16 N12 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0249","0.0234","","","0.0613","0.0715","","","","","","1.146","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550565","8.6647","0.0002","16.1964","0.0004","21.7364","0.0006","90","","90","","90","","3050.42","0.13","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cu2 Li2 N2 -","- C30 H46 Cu2 Li2 N2 -","- C120 H184 Cu8 Li8 N8 -","4","0.5","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0451","0.0326","","","0.0754","0.0806","","","","","","1.062","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550566","15.4346","0.0005","12.0863","0.0004","19.5308","0.0006","90","","110.296","0.001","90","","3417.21","0.19","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Cu2 Li2 N3 -","- C33 H59 Cu2 Li2 N3 -","- C132 H236 Cu8 Li8 N12 -","4","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0391","0.0319","","","0.0825","0.087","","","","","","1.013","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550567","7.7143","0.0005","28.907","0.002","7.501","0.0005","90","","90","","90","","1672.7","0.19","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","LH4043","Lee, Ji Hye; Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2019","4","2","x190179","","10.1107/S2414314619001792","","","0.71073","MoKα","","0.0966","0.0446","","","0.0772","0.1052","","","","","","0.946","","","","has coordinates,has Fobs","213514","2020-10-21","18:00:00",""
"1550568","9.959","0.002","10.49","0.002","23.62","0.005","90","","90","","90","","2467.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","","Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2019","4","2","x190134","","10.1107/S2414314619001342","","","0.71073","MoKα","","0.1395","0.0573","","","0.0791","0.0999","","","","","","0.954","","","","has coordinates,has Fobs","213515","2020-10-21","18:00:00",""
"1550569","18.2208","0.0008","9.3925","0.0004","9.6745","0.0004","90","","92.591","0.003","90","","1653.99","0.12","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O7 -","- C17 H20 O7 -","- C68 H80 O28 -","4","1","","Scheidt, Karl A.; Betori, Rick; McDonald, Benjamin","Reductive Annulations of Arylidene Malonates With Unsaturated Electrophiles Using Photoredox/Lewis Acid Cooperative Catalysis","Chemical Science","2019","","","","","10.1039/C9SC00302A","","","0.71073","MoKα","","0.0654","0.052","","","0.1247","0.1329","","","","","","1.036","","","","has coordinates","213519","2020-10-21","18:00:00",""
"1550570","22.4783","0.0005","11.4618","0.0002","15.6035","0.0004","90","","92.056","0.002","90","","4017.53","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N4 O3 -","- C21 H24 N4 O3 -","- C168 H192 N32 O24 -","8","1","","Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan","Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals","Chemical Science","2019","","","","","10.1039/C8SC05263H","","","0.71073","MoKα","","0.0619","0.043","","","0.103","0.1129","","","","","","1.025","","","","has coordinates","213520","2020-10-21","18:00:00",""
"1550571","21.1353","0.0004","9.1587","0.0002","16.9027","0.0003","90","","92.271","0.001","90","","3269.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O4 -","- C16 H21 N3 O4 -","- C128 H168 N24 O32 -","8","2","","Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan","Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals","Chemical Science","2019","","","","","10.1039/C8SC05263H","","","0.71073","MoKα","","0.0511","0.0376","","","0.0859","0.0932","","","","","","1.021","","","","has coordinates","213520","2020-10-21","18:00:00",""
"1550572","10.9672","0.0009","12.007","0.0009","15.6024","0.0013","78.603","0.003","84.035","0.003","72.96","0.002","1923.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H112 N4 O21 Rh2 -","- C80 H112 N4 O21 Rh2 -","- C80 H112 N4 O21 Rh2 -","1","0.5","","Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard","Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts","Chemical Science","2019","","","","","10.1039/C8SC05733H","","","0.71073","MoKα","","0.0309","0.0248","","","0.0497","0.0514","","","","","","1.041","","","","has coordinates,has disorder","213521","2020-10-21","18:00:00",""
"1550573","13.4068","0.0004","14.036","0.0004","14.1837","0.0004","68.831","0.001","72.514","0.001","69.919","0.001","2289.69","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H128 N8 O18 Rh2 S6 -","- C88 H128 N8 O18 Rh2 S6 -","- C88 H128 N8 O18 Rh2 S6 -","1","0.5","","Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard","Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts","Chemical Science","2019","","","","","10.1039/C8SC05733H","","","0.71073","MoKα","","0.0505","0.036","","","0.0712","0.0757","","","","","","1.05","","","","has coordinates,has disorder","213521","2020-10-21","18:00:00",""
"1550574","14.0242","0.0009","14.3859","0.0009","17.8002","0.0011","89.158","0.002","89.755","0.002","62.152","0.002","3174.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H100 F24 N8 O16 Rh2 S4 -","- C88.0008 H100.002 F24 N8 O16.0004 Rh2 S4.0004 -","- C88.0008 H100.002 F24 N8 O16.0004 Rh2 S4.0004 -","1","0.5","","Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard","Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts","Chemical Science","2019","","","","","10.1039/C8SC05733H","","","0.71073","MoKα","","0.0409","0.0342","","","0.0799","0.0829","","","","","","1.067","","","","has coordinates,has disorder","213521","2020-10-21","18:00:00",""
"1550575","6.4762","0.0006","7.8291","0.0007","18.9197","0.0017","90","","92.615","0.003","90","","958.28","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O2 P -","- C22 H29 O2 P -","- C44 H58 O4 P2 -","2","1","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0539","0.0432","","","0.084","0.0875","","","","","","1.037","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550576","15.7335","0.0009","7.0904","0.0004","20.8392","0.0011","90","","105.282","0.002","90","","2242.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl3 O P Ru -","- C21 H28 Cl3 O P Ru -","- C84 H112 Cl12 O4 P4 Ru4 -","4","1","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0535","0.0482","","","0.1047","0.107","","","","","","1.257","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550577","18.5288","0.0017","14.5736","0.0014","19.2314","0.0018","90","","113.995","0.002","90","","4744.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Na O6 P -","- C21 H34 Na O6 P -","- C168 H272 Na8 O48 P8 -","8","2","","Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher","Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer","Chemical Science","2019","","","","","10.1039/C8SC05657A","","","0.71073","MoKα","","0.0502","0.0406","","","0.105","0.1137","","","","","","1.032","","","","has coordinates","213534","2020-10-21","18:00:00",""
"1550578","16.156","0.004","11.811","0.003","20.079","0.005","90","","93.63","0.03","90","","3823.8","1.7","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5,10-dimesityldiindeno[1,2-a:2',1'-i]phenanthrene","","- C52 H50 -","- C52 H50 -","- C208 H200 -","4","1","","Majewski, Marcin Aleksander; Chmielewski, Piotr Jan; Chien, Alan; Hong, Yongseok; Lis, Tadeusz; Witwicki, Maciej; Kim, Dongho; Zimmerman, Paul; Stępień, Marcin","5,10-Dimesityldiindeno[1,2-a:2',1'-i]phenanthrene: A Stable Biradicaloid Derived from Chichibabin’s Hydrocarbon","Chemical Science","2019","","","","","10.1039/C9SC00170K","","","0.71073","MoKα","","0.171","0.0825","","","0.1367","0.1761","","","","","","1.028","","","","has coordinates,has disorder","213535","2020-10-21","18:00:00",""
"1550579","17.66","0.002","17.66","0.002","13.5994","0.0011","90","","90","","120","","3673.1","0.7","213","2","213","2","","","","","","","","6","P 63","P 6c","173","","","","- C26 H24 Br N3 O3 S -","- C26 H24 Br N3 O3 S -","- C156 H144 Br6 N18 O18 S6 -","6","1","","JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine","Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines","Chemical Science","2019","","","","","10.1039/C8SC05581E","","","1.54187","CuKα","","0.1239","0.0556","","","0.0966","0.1477","","","","","","1.118","","","","has coordinates","213536","2020-10-21","18:00:00",""
"1550580","9.6687","0.0007","8.1636","0.0005","11.2423","0.0008","90","","104.07","0.007","90","","860.75","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H17 Br N2 O S -","- C18 H17 Br N2 O S -","- C36 H34 Br2 N4 O2 S2 -","2","1","","JARRIGE , Lucie; Glavač, Danijel; Levitre, Guillaume; Retailleau, Pascal; Bernadat, Guillaume; Neuville, luc; Masson, Geraldine","Chiral Phosphoric Acid-Catalyzed Enantioselective Construction of Structurally Diverse Benzothiazolopyrimidines","Chemical Science","2019","","","","","10.1039/C8SC05581E","","x-ray","0.71073","MoKα","","0.0544","0.0418","","","0.0829","0.0874","","","","","","1.024","","","","has coordinates","213536","2020-10-21","18:00:00",""
"1550581","30.382","0.007","30.382","0.007","14.976","0.003","90","","90","","120","","11972","5","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag N7 O13 -","- C18 H26 Ag N6 O10 -","- C270 H390 Ag15 N90 O150 -","15","5","","houlton, andrew; Mistry, Liam; El-Zubir, Osama; Horrocks, Ben R.; Dura, Gema; Clegg, William; Waddell, Paul G.; Hofer, Werner; pope, thomas; Wright, Nicholas","Addressing the Properties of “Metallo-DNA” with a Ag(I)-Mediated Supramolecular Duplex","Chemical Science","2019","","","","","10.1039/C8SC05103H","","","0.6889","synchrotron","","0.1248","0.0904","","","0.25","0.2777","","","","","","0.955","","","","has coordinates","213565","2020-10-21","18:00:00",""
"1550582","9.8225","0.0002","10.4555","0.0002","19.967","0.0004","90","","90","","90","","2050.59","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O -","- C23 H30 N2 O -","- C92 H120 N8 O4 -","4","1","","Vasu, Dhananjayan; Fuentes de Arriba, Angel L.; Leitch, Jamie; de Gombert, Antoine; Dixon, Darren","Primary α-Tertiary Amine Synthesis via α-C‒H Functionalization","Chemical Science","2019","","","","","10.1039/C8SC05164J","","","1.54184","CuKα","","0.0368","0.0339","","0.0866","0.084","0.0866","","","","","","1.0257","","","","has coordinates","213566","2020-10-21","18:00:00",""
"1550583","12.3919","0.0007","10.7917","0.0006","19.9794","0.0012","90","","103.138","0.002","90","","2601.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Potassium bis(2-methyllactato)borate hemihydrate","Poly[aquabis[μ~3~-bis(2-methyllactato)borato]dipotassium] [K(C~8~H~12~BO~6~)(H~2~O)~0.5~]","","- C8 H13 B K O6.5 -","- C8 H13 B K O6.5 -","- C64 H104 B8 K8 O52 -","8","1","WM4100","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Potassium bis(2-methyllactato)borate hemihydrate","IUCrData","2019","4","2","x190202","","10.1107/S2414314619002025","","","0.71073","MoKα","","0.0705","0.0493","","","0.1081","0.1192","","","","","","1.161","","","","has coordinates,has Fobs","213583","2020-10-21","18:00:00",""
"1550584","10.6258","0.0005","10.2217","0.0005","18.0993","0.0008","90","","90.798","0.002","90","","1965.64","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","ZQ4034","Lee, Ji Hye; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","2","x190193","","10.1107/S2414314619001937","","","0.71073","MoKα","","0.1074","0.0634","","","0.1689","0.1983","","","","","","1.025","","","","has coordinates,has Fobs","213584","2020-10-21","18:00:00",""
"1550585","8.4135","0.0005","22.5714","0.0013","19.5667","0.0012","90","","95.368","0.001","90","","3699.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H24 F6 Ir N5 S2 -","- C43 H24 F6 Ir N5 S2 -","- C172 H96 F24 Ir4 N20 S8 -","4","1","","Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie","Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30%","Chemical Science","2019","","","","","10.1039/C8SC05605F","","","0.71073","MoKα","","0.0718","0.0386","","","0.0805","0.0993","","","","","","1.083","","","","has coordinates","213599","2020-10-21","18:00:00",""
"1550586","13.9038","0.0013","34.924","0.003","15.0724","0.0015","90","","92.347","0.002","90","","7312.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 F6 Ir N5 S2 -","- C37 H29.999 F6 Ir N5 S2 -","- C296 H239.992 F48 Ir8 N40 S16 -","8","2","","Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie","Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30%","Chemical Science","2019","","","","","10.1039/C8SC05605F","","","0.71073","MoKα","","0.0689","0.044","","","0.0995","0.1127","","","","","","1.022","","","","has coordinates,has disorder","213599","2020-10-21","18:00:00",""
"1550587","7.9243","0.0005","23.7112","0.0009","24.927","0.0015","90","","90","","90","","4683.7","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","","- C27 H17 Cl F N3 O2 S -","- C27 H17 Cl F N3 O2 S -","- C216 H136 Cl8 F8 N24 O16 S8 -","8","1","HB4283","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","IUCrData","2019","4","2","x190170","","10.1107/S2414314619001706","","","0.71073","MoKα","","0.1193","0.0581","","","0.1491","0.1841","","","","","","1.044","","","","has coordinates,has Fobs","213622","2020-10-21","18:00:00",""
"1550588","5.2879","0.0003","26.3742","0.001","15.7872","0.0007","90","","98.293","0.004","90","","2178.73","0.18","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","","- C23 H17 Cl F N5 O S -","- C23 H17 Cl F N5 O S -","- C92 H68 Cl4 F4 N20 O4 S4 -","4","1","HB4284","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","IUCrData","2019","4","2","x190211","","10.1107/S2414314619002116","","","0.71073","MoKα","","0.0621","0.0424","","","0.0996","0.113","","","","","","1.035","","","","has coordinates,has Fobs","213623","2020-10-21","18:00:00",""
"1550589","13.217","0.007","20.737","0.01","16.3","0.009","90","","112.083","0.009","90","","4140","4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 Cl N4 Ni O2 -","- C45 H60 Cl N4 Ni O2 -","- C180 H240 Cl4 N16 Ni4 O8 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","0.1193","0.0943","","","0.2715","0.2948","","","","","","1.093","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550590","13.1252","0.0019","20.65","0.003","16.188","0.003","90","","112.956","0.004","90","","4040","1.1","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br N4 Ni O2 -","- C45 H52 Br N4 Ni O2 -","- C180 H208 Br4 N16 Ni4 O8 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0634","","","","0.204","","","","","","1.029","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550591","14.185","0.01","10.668","0.007","25.257","0.017","90","","94.686","0.01","90","","3809","4","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 N5 Ni -","- C45 H50 N5 Ni -","- C180 H200 N20 Ni4 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.159","","","","0.4081","","","","","","1.212","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550592","12.62","0.003","16.578","0.003","20.317","0.004","77.4","0.006","84.597","0.006","86.947","0.008","4127.5","1.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H104 Br2 N8 Ni2 O -","- C94 H104 Br2 N8 Ni2 O -","- C188 H208 Br4 N16 Ni4 O2 -","2","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","0.0624","0.0495","","","0.0998","0.1056","","","","","","1.08","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550593","11.812","0.003","21.544","0.004","16.48","0.004","90","","91.636","0.004","90","","4192.1","1.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 N5 Ni -","- C49 H54 N5 Ni -","- C196 H216 N20 Ni4 -","4","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0592","","","","0.1458","","","","","","1.146","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550594","29.913","0.004","13.087","0.0011","20.428","0.002","90","","99.079","0.005","90","","7896.8","1.5","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 N3 Ni -","- C46 H46 N3 Ni -","- C368 H368 N24 Ni8 -","8","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0587","","","","0.1841","","","","","","1.24","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550595","12.662","0.005","12.701","0.005","16.94","0.006","72.52","0.013","78.286","0.013","84.831","0.013","2543.1","1.7","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H69 N5 Ni O -","- C58 H69 N5 Ni O -","- C116 H138 N10 Ni2 O2 -","2","1","","Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki","Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02427H","","","0.71075","MoKα","","","0.0642","","","","0.1884","","","","","","1.09","","","","has coordinates","213625","2020-10-21","18:00:00",""
"1550596","9.3465","0.0007","10.4901","0.0008","18.9441","0.0015","90","","90","","90","","1857.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Rezayee, Nomaan Mohammed; Lauridsen, Vibeke Henriette; Næsborg, Line; Nguyen, Thanh V. Q.; Tobiesen, Henriette Natorp; Jorgensen, Karl Anker","Oxidative Organocatalysed Enantioselective Coupling of Indoles with Aldehydes that Forms Quaternary Carbon Stereocentres","Chemical Science","2019","","","","","10.1039/C9SC00196D","","","0.56086","AgKα","","0.0237","0.0209","","","0.0493","0.05","","","","","","1.053","","","","has coordinates,has disorder","213628","2020-10-21","18:00:00",""
"1550597","7.0684","0.0002","10.5124","0.0004","16.554","0.0005","90","","90","","90","","1230.06","0.07","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl2 Cu N4 O -","- C6 H20 Cl2 Cu N4 O -","- C24 H80 Cl8 Cu4 N16 O4 -","4","1","","Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James","Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes.","Metallomics : integrated biometal science","2019","11","3","565","575","10.1039/c8mt00277k","","x-ray","0.71073","MoKα","","0.0364","0.0314","","","0.0651","0.0679","","","","","","1.039","","","","has coordinates","224654","2020-10-21","18:00:00",""
"1550598","5.17375","","8.98502","","7.35224","","91.6843","","105.128","","89.7549","","329.789","","","","","","","","","","","","","4","P 1","P 1","1","","","Kaolinite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","2","","Richard, D.; Rendtorff, N. M.","First principles study of structural properties and electric field gradients in kaolinite","Applied Clay Science","2019","169","","67","73","10.1016/j.clay.2018.12.013","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","213663","2020-10-21","18:00:00",""
"1550599","12.9007","0.0013","14.8064","0.0014","18.5391","0.0016","89.44","0.006","81.175","0.005","87.749","0.006","3496.6","0.6","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H36 Cl4 N22 Ru2 -","- C64 H36 Cl4 N22 Ru2 -","- C128 H72 Cl8 N44 Ru4 -","2","1","","Archer, Stuart; Raza, Ahtasham; Dröge, Fabian; Robertson, Craig C.; Auty, Alexander J.; Chekulaev, Dimitri M.; Weinstein, Julia; Keane, Theo; Meijer, Anthony J. H. M.; Haycock, John; MacNeil, Sheila; Thomas, Jim A.","A dinuclear ruthenium(II) phototherapeutic that targets duplex and quadruplex DNA","Chemical Science","2019","","","","","10.1039/C8SC05084H","","","1.54178","CuKα","","0.1383","0.0927","","","0.225","0.2553","","","","","","1.042","","","","has coordinates,has disorder","213689","2020-10-21","18:00:00",""
"1550600","8.2234","0.0014","10.4654","0.0017","11.0901","0.0019","105.331","0.003","105.474","0.003","104.265","0.003","833.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Cl2 Ge2 N4 O2 -","- C30 H46 Cl2 Ge2 N4 O2 -","- C30 H46 Cl2 Ge2 N4 O2 -","1","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.036","0.0316","","","0.0776","0.0798","","","","","","1.049","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550601","9.571","0.004","13.665","0.007","15.943","0.007","90","","91.027","0.014","90","","2084.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Ge2 N6 O2 -","- C42 H58 Ge2 N6 O2 -","- C84 H116 Ge4 N12 O4 -","2","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0791","0.0554","","","0.1524","0.1912","","","","","","1.122","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550602","15.032","0.014","11.229","0.012","23.3","0.02","90","","104.94","0.04","90","","3800","6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 B F15 Ge N2 O S -","- C39 H28 B F15 Ge N2 O S -","- C156 H112 B4 F60 Ge4 N8 O4 S4 -","4","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0803","0.0493","","","0.1164","0.1338","","","","","","1.08","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550603","10.595","0.004","15.635","0.005","14.875","0.005","90","","92.261","0.006","90","","2462.2","1.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H70 Ge2 N6 O2 -","- C52 H70 Ge2 N6 O2 -","- C104 H140 Ge4 N12 O4 -","2","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.07","0.0454","","","0.0923","0.0992","","","","","","0.937","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550604","12.501","0.003","12.739","0.003","15.229","0.004","97.161","0.008","106.18","0.008","115.904","0.007","2008.1","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H30 B Cl2 F15 Ge N2 O -","- C40 H30 B Cl2 F15 Ge N2 O -","- C80 H60 B2 Cl4 F30 Ge2 N4 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0498","0.0434","","","0.112","0.1187","","","","","","0.824","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550605","11.7566","0.0013","13.7449","0.0015","13.7689","0.0015","65.642","0.003","74.276","0.003","74.609","0.003","1920.9","0.4","104","2","104.33","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H30 B Cl F15 Ge N2 O -","- C42 H30 B Cl F15 Ge N2 O -","- C84 H60 B2 Cl2 F30 Ge2 N4 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0643","0.0517","","","0.122","0.1307","","","","","","1.053","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550606","11.6826","0.0007","12.4053","0.0008","17.1901","0.0011","83.572","0.002","87.402","0.002","73.342","0.002","2371.5","0.3","103","2","102.71","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H41 B F15 Ge N3 O Si2 -","- C39 H41 B F15 Ge N3 O Si2 -","- C78 H82 B2 F30 Ge2 N6 O2 Si4 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0617","0.048","","","0.1174","0.1253","","","","","","1.022","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550607","11.7309","0.0018","13.344","0.002","13.627","0.002","62.827","0.003","73.967","0.003","81.201","0.003","1823","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 B Cl3 F15 Ge N2 O -","- C34 H25 B Cl3 F15 Ge N2 O -","- C68 H50 B2 Cl6 F30 Ge2 N4 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.058","0.0463","","","0.1182","0.1384","","","","","","1.086","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550608","12.1298","0.0009","15.8356","0.0012","19.4206","0.0015","90","","90","","90","","3730.4","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 B Cl2 F15 Ge N2 O -","- C35 H28 B Cl2 F15 Ge N2 O -","- C140 H112 B4 Cl8 F60 Ge4 N8 O4 -","4","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0446","0.0373","","","0.0892","0.0932","","","","","","1.069","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550609","12.9207","0.001","12.9316","0.0011","14.5928","0.0012","69.991","0.001","89.472","0.002","71.225","0.001","2155.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H62 Ge2 N6 O2 -","- C44 H62 Ge2 N6 O2 -","- C88 H124 Ge4 N12 O4 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0349","0.0289","","","0.0807","0.0943","","","","","","1.11","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550610","12.436","0.002","12.462","0.002","15.186","0.003","106.723","0.004","96.368","0.003","115.028","0.003","1967.5","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H29 B Cl2 F15 Ge N3 O -","- C38 H29 B Cl2 F15 Ge N3 O -","- C76 H58 B2 Cl4 F30 Ge2 N6 O2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0897","0.056","","","0.1319","0.15","","","","","","0.974","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550611","11.625","0.0011","15.0956","0.0014","15.2052","0.0014","82.564","0.002","69.443","0.002","69.839","0.001","2345.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H38 B F15 Ge N2 O2 Si -","- C51 H38 B F15 Ge N2 O2 Si -","- C102 H76 B2 F30 Ge2 N4 O4 Si2 -","2","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0389","0.0332","","","0.0969","0.1169","","","","","","1.189","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550612","11.415","0.003","38.762","0.014","17.556","0.006","90","","96.277","0.008","90","","7721","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 B F15 Ge N2 O2 -","- C37 H32 B F15 Ge N2 O2 -","- C296 H256 B8 F120 Ge8 N16 O16 -","8","2","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.1042","0.056","","","0.0962","0.1068","","","","","","1.047","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550613","10.7104","0.0004","13.0233","0.0005","20.6386","0.0008","87.872","0.002","83.02","0.002","65.815","0.002","2606.38","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61.5 F0.5 N3 P2 -","- C57 H59 N3 P2 -","- C114 H118 N6 P4 -","2","1","","Schulz, Axel; Bresien, Jonas; Kroeger-Badge, Thomas; Lochbrunner, Stefan; Michalik, Dirk; Müller, Henrik; Zander, Edgar","A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls","Chemical Science","2019","","","","","10.1039/C8SC04893B","","","0.71073","MoKα","","0.0654","0.0456","","","0.1139","0.1296","","","","","","1.045","","","","has coordinates","213692","2020-10-21","18:00:00",""
"1550614","10.5944","0.0006","12.9038","0.0008","20.3409","0.0013","85.38","0.002","82.564","0.002","66.245","0.002","2522.5","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61.5 F0.5 N3 P2 -","- C60 H61.5 F0.5 N3 P2 -","- C120 H123 F N6 P4 -","2","1","","Schulz, Axel; Bresien, Jonas; Kroeger-Badge, Thomas; Lochbrunner, Stefan; Michalik, Dirk; Müller, Henrik; Zander, Edgar","A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls","Chemical Science","2019","","","","","10.1039/C8SC04893B","","","0.71073","MoKα","","0.0763","0.0473","","","0.0998","0.1117","","","","","","1.024","","","","has coordinates,has disorder","213692","2020-10-21","18:00:00",""
"1550615","14.21","0.003","28.1537","0.0019","27.91","0.003","90","","104.632","0.008","90","","10804","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H162 K N O24 Si6 U2 -","- C72 H162 K N O24 Si6 U2 -","- C288 H648 K4 N4 O96 Si24 U8 -","4","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.1292","0.0686","","","0.133","0.1623","","","","","","1.111","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550616","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550617","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550618","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550619","14.4207","0.0004","17.5321","0.0005","21.9098","0.0006","90","","91.84","0.003","90","","5536.5","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H172 K2 N2 O24 Si6 U2 -","- C79 H172 K2 N2 O24 Si6 U2 -","- C158 H344 K4 N4 O48 Si12 U4 -","2","0.5","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","x-ray","0.71073","MoKα","","0.0695","0.039","","","0.0824","0.0983","","","","","","1.06","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550620","14.382","0.002","17.661","0.003","21.819","0.004","90","","92.012","0.009","90","","5538.6","1.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 K2 N4 O24 Si6 U2 -","- C72 H162 K2 N4 O24 Si6 U2 -","- C144 H324 K4 N8 O48 Si12 U4 -","2","0.5","","Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella","Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex","Chemical Science","2019","","","","","10.1039/C8SC05721D","","","0.71073","MoKα","","0.117","0.0592","","","0.1241","0.1665","","","","","","1.135","","","","has coordinates,has disorder","213693","2020-10-21","18:00:00",""
"1550621","12.427","0.002","12.068","0.003","11.6342","0.0017","90","","92.622","0.009","90","","1742.9","0.6","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B10 S2 -","- C11 H20 B10 S2 -","- C44 H80 B40 S8 -","4","1","","Messina, Marco S.; Graefe, Christian T.; Chong, Paul; Ebrahim, Omar M.; Pathuri, Ramya S.; Bernier, Nicholas A.; Mills, Harrison A.; Rheingold, Arnold L.; Frontiera, Renee R.; Maynard, Heather D.; Spokoyny, Alexander M.","Carborane RAFT agents as tunable and functional molecular probes for polymer materials","Polymer Chemistry","2019","10","13","1660","","10.1039/C9PY00199A","","x-ray","0.71073","MoKα","","0.1578","0.0868","","","0.211","0.2405","","","","","","1.049","","","","has coordinates,has disorder","225344","2020-10-21","18:00:00",""
"1550622","9.973","0.0002","10.483","0.0002","19.394","0.0005","88.696","0.001","79.354","0.001","62.57","0.001","1764.13","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H21 F20 O3 P -","- C36 H21 F20 O3 P -","- C72 H42 F40 O6 P2 -","2","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71069","MoKα","","0.1066","0.0935","","","0.2444","0.2661","","","","","","1.045","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550623","39.273","0.0006","9.553","0.0001","26.355","0.0007","90","","127.505","0.005","90","","7843.9","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H23 Cl2 F20 O3 P -","- C37 H23 Cl2 F20 O3 P -","- C296 H184 Cl16 F160 O24 P8 -","8","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71069","MoKα","","0.1034","0.0678","","","0.2003","0.2239","","","","","","1.105","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550624","11.03","0.002","12.802","0.003","23.276","0.005","105.47","0.002","92.07","0.003","96.064","0.003","3142.8","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 F20 K O11 P -","- C56 H60 F20 K O11 P -","- C112 H120 F40 K2 O22 P2 -","2","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71073","MoKα","","0.0895","0.0763","","","0.2252","0.2361","","","","","","1.065","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550625","18.972","0.004","13.493","0.003","19.631","0.004","90","","111.443","0.003","90","","4677.5","1.7","173","","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 F20 K O5 P -","- C44 H36 F20 K O5 P -","- C176 H144 F80 K4 O20 P4 -","4","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71073","MoKα","","0.1152","0.0927","","","0.2534","0.2786","","","","","","1.029","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550626","15.552","0.003","13.58","0.003","28.022","0.006","90","","95.733","0.003","90","","5889","2","173","","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 F12 K O12 P -","- C56 H68 F12 K O12 P -","- C224 H272 F48 K4 O48 P4 -","4","1","","Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke","Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring","Chemical Science","2019","","","","","10.1039/C8SC05158E","","","0.71073","MoKα","","0.181","0.0894","","","0.1976","0.2411","","","","","","1.033","","","","has coordinates","213711","2020-10-21","18:00:00",""
"1550627","10.8484","0.0004","11.0591","0.0005","15.2489","0.0006","76.98","0.004","84.293","0.003","86.909","0.003","1772.66","0.13","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H46 O4 -","- C44 H46 O4 -","- C88 H92 O8 -","2","1","","Ye, Changqing; Li, Yajun; Zhu, Xiaotao; Hu, Shengmin; Yuan, Daqiang; Bao, Hongli","Copper-Catalyzed 1,4-Alkylarylation of 1,3-Enynes with Masked Alkyl Electrophiles","Chemical Science","2019","","","","","10.1039/C8SC05689G","","","1.3405","GaKα","","0.0516","0.0449","","","0.1234","0.1283","","","","","","1.085","","","","has coordinates","213712","2020-10-21","18:00:00",""
"1550628","9.7894","0.0007","10.983","0.0006","17.2596","0.0008","93.49","0.004","95.702","0.005","107.729","0.006","1750.67","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","2","HB4285","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2019","4","2","x190217","","10.1107/S2414314619002177","","","0.71073","MoKα","","0.1244","0.0647","","","0.1441","0.1862","","","","","","1.018","","","","has coordinates,has Fobs","213724","2020-10-21","18:00:00",""
"1550629","17.5522","0.0006","21.2914","0.0007","35.9929","0.0011","90","","90","","90","","13450.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148.57 H175.16 B6 Cl5.16 Fe N10 -","- C148.574 H175.16 B6 Cl5.16 Fe N10 -","- C594.296 H700.64 B24 Cl20.64 Fe4 N40 -","4","1","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","1.54178","CuKα","","0.1439","0.1006","","","0.2528","0.289","","","","","","1.024","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550630","16.3801","0.0006","15.2273","0.0006","22.2072","0.0009","90","","92.0316","0.0014","90","","5535.5","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H99 Fe N13 O5 -","- C44 H99 Fe N13 O5 -","- C176 H396 Fe4 N52 O20 -","4","1","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","0.71073","MoKα","","0.0767","0.0621","","","0.1517","0.1605","","","","","","1.041","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550631","19.29","0.004","19.912","0.004","20.432","0.004","65.073","0.006","68.449","0.019","80.849","0.006","6619","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C263.25 H130.49 B6 Cl10.49 F90 Fe N10 P8 -","- C263.244 H130.488 B6 Cl10.488 F90 Fe N10 P8 -","- C263.244 H130.488 B6 Cl10.488 F90 Fe N10 P8 -","1","0.5","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","1.54178","CuKα","","0.0915","0.0743","","","0.2117","0.2272","","","","","","1.058","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550632","5.9659","0.0003","16.3145","0.0007","14.5127","0.0006","90","","99.253","0.003","90","","1394.15","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O S -","- C15 H18 N2 O S -","- C60 H72 N8 O4 S4 -","4","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.0792","0.0455","","","0.0951","0.1086","","","","","","1.04","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550633","16.151","0.015","7.314","0.007","19.036","0.019","90","","90","","90","","2249","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C96 H96 O16 S8 -","8","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.1591","0.0847","","","0.2319","0.3243","","","","","","1.048","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550634","7.5382","0.0002","12.2061","0.0003","10.8739","0.0003","90","","95.949","0.002","90","","995.14","0.05","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O S -","- C9 H14 N2 O S -","- C36 H56 N8 O4 S4 -","4","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.0736","0.0529","","","0.1292","0.1401","","","","","","1.063","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550635","11.978","0.006","7.388","0.004","16.198","0.008","90","","109.288","0.009","90","","1353","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.1123","0.0834","","","0.2367","0.2561","","","","","","1.086","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550636","9.4189","0.0008","10.3506","0.0009","22.444","0.0018","91.428","0.007","100.894","0.007","99.001","0.007","2118.9","0.3","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 As2 F12 Fe N10 -","- C30 H46 As2 F12 Fe N10 -","- C60 H92 As4 F24 Fe2 N20 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71069","MoKα","","0.1414","0.0646","","","0.147","0.1906","","","","","","1.025","","","","has coordinates","213799","2020-10-21","18:00:00",""
"1550637","9.411","0.003","10.309","0.003","22.379","0.005","91.52","0.011","100.995","0.012","98.955","0.016","2101.8","1","230","2","229.99","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 As1.44 F12 Fe N10 P0.56 -","- C30 H48 As1.445 F12 Fe N10 P0.555 -","- C60 H96 As2.89 F24 Fe2 N20 P1.11 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71073","MoKα","","0.0851","0.0557","","","0.1388","0.156","","","","","","1.039","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550638","9.2858","0.0005","10.409","0.0006","22.2722","0.0015","83.796","0.005","78.275","0.005","81.416","0.005","2077.5","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C60 H96 As2.84 F24 Fe2 N20 P1.16 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","x-ray","0.71073","MoKα","","0.083","0.0516","","","0.0969","0.114","","","","","","1.04","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550639","9.614","0.0007","10.2571","0.0006","21.9999","0.0013","91.522","0.005","96.193","0.006","98.456","0.006","2131.4","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 As2 F12 Fe N10 -","- C30 H48 As2 F12 Fe N10 -","- C60 H96 As4 F24 Fe2 N20 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71069","MoKα","","0.2345","0.0903","","","0.2341","0.3306","","","","","","0.946","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550640","9.3885","0.0005","10.2632","0.0004","22.273","0.0008","91.779","0.003","101.106","0.004","98.904","0.004","2076.46","0.16","230","1","230","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71073","MoKα","","0.1461","0.0806","","","0.2111","0.2772","","","","","","0.927","","","","has coordinates","213799","2020-10-21","18:00:00",""
"1550641","9.1245","0.0003","10.515","0.0002","21.6376","0.0004","83.769","0.002","78.852","0.002","81.928","0.002","2009.56","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 N10 Ni P2 -","- C30 H48 F12 N10 Ni P2 -","- C60 H96 F24 N20 Ni2 P4 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","","0.71073","MoKα","","0.0614","0.0416","","","0.0779","0.0887","","","","","","1.038","","","","has coordinates","213799","2020-10-21","18:00:00",""
"1550642","9.588","0.003","10.0652","0.0019","21.074","0.004","93.89","0.017","93.68","0.02","100.469","0.019","1989.2","0.8","157","0.1","157","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C30 H48 As1.42 F12 Fe N10 P0.58 -","- C60 H96 As2.84 F24 Fe2 N20 P1.16 -","2","1","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Meneses-Sánchez, Manuel; Muñoz, M. Carmen; Bartual-Murgui, Carlos; Real Cabezos, José Antonio A","Discrimination between two memory channels by molecular alloying in a doubly bistable spin crossover material","Chemical Science","2019","","","","","10.1039/C8SC05256E","","x-ray","0.71073","MoKα","","0.2789","0.1247","","","0.2859","0.3885","","","","","","1.008","","","","has coordinates,has disorder","213799","2020-10-21","18:00:00",""
"1550643","19.92637","0.00017","6.63771","0.00005","13.28322","0.00011","90","","96.4721","0.0008","90","","1745.71","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O S -","- C23 H17 N O S -","- C92 H68 N4 O4 S4 -","4","1","","Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong","Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy","Chemical Science","2019","","","","","10.1039/C8SC05805A","","x-ray","1.54184","CuKα","","0.0363","0.0358","","","0.0988","0.0995","","","","","","1.004","","","","has coordinates","213800","2020-10-21","18:00:00",""
"1550644","9.89163","0.00018","19.5816","0.0003","10.94012","0.00019","90","","107.593","0.0019","90","","2019.92","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C100 H84 N4 O12 S4 -","4","1","","Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong","Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy","Chemical Science","2019","","","","","10.1039/C8SC05805A","","x-ray","1.54184","CuKα","","0.0363","0.0325","","","0.0886","0.0919","","","","","","1.007","","","","has coordinates,has disorder","213800","2020-10-21","18:00:00",""
"1550645","12.2574","0.001","7.6912","0.0008","22.821","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C22 H21 F N8 O -","- C22 H21 F N8 O -","- C88 H84 F4 N32 O4 -","4","1","ZQ4035","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2019","4","2","x190261","","10.1107/S241431461900261X","","","0.71073","MoKα","","0.1054","0.0615","","","0.1527","0.1782","","","","","","1.078","","","","has coordinates,has Fobs","213812","2020-10-21","18:00:00",""
"1550646","11.6975","0.0006","11.0671","0.0005","16.5395","0.001","90","","100.303","0.006","90","","2106.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","","- C25 H17 Cl F N3 S -","- C25 H17 Cl F N3 S -","- C100 H68 Cl4 F4 N12 S4 -","4","1","LH4044","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","IUCrData","2019","4","2","x190218","","10.1107/S2414314619002189","","","0.71073","MoKα","","0.0839","0.0484","","","0.1076","0.1288","","","","","","1.033","","","","has coordinates,has Fobs","213813","2020-10-21","18:00:00",""
"1550647","6.493","0.0007","13.8065","0.001","27.539","0.002","90","","90","","90","","2468.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","","- C28 H23 F N6 S -","- C28 H23 F N6 S -","- C112 H92 F4 N24 S4 -","4","1","HB4287","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","IUCrData","2019","4","2","x190240","","10.1107/S2414314619002402","","","0.71073","MoKα","","0.0975","0.054","","","0.1072","0.1296","","","","","","1.018","","","","has coordinates,has Fobs","213814","2020-10-21","18:00:00",""
"1550648","10.432","0.002","11.297","0.002","12.688","0.002","90","","90","","90","","1495.3","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-1-benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","EB4001","Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro","(<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2019","4","2","x190220","","10.1107/S2414314619002207","","","0.71073","MoKα","","0.0731","0.0713","","","0.1716","0.1732","","","","","","1.076","","","","has coordinates,has Fobs","213815","2020-10-21","18:00:00",""
"1550649","7.7981","0.001","7.2249","0.0008","8.9956","0.0011","90","","110.38","0.014","90","","475.09","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride]","","- C6 H15 Cl N Na O3 -","- C6 H15 Cl N Na O3 -","- C12 H30 Cl2 N2 Na2 O6 -","2","1","WM4096","Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus","The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl","IUCrData","2019","4","2","x190238","","10.1107/S2414314619002384","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0412","0.0433","","","","","","0.703","","","","has coordinates,has Fobs","213816","2020-10-21","18:00:00",""
"1550650","23.5427","0.0014","23.5427","0.0014","6.9458","0.0008","90","","90","","120","","3334","0.5","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ge Na2 S4 Sr -","- Ge Na2 S4 Sr -","- Ge18 Na36 S72 Sr18 -","18","1","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0335","0.0318","","","0.0895","0.0901","","","","","","1.088","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550651","6.542","0.0015","6.542","0.0015","7.751","0.003","90","","90","","90","","331.73","0.17","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ge Li2 S4 Sr -","- Ge Li2 S4 Sr -","- Ge2 Li4 S8 Sr2 -","2","0.125","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0225","0.0225","","","0.0563","0.0563","","","","","","1.295","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550652","23.838","0.004","23.838","0.004","7.115","0.002","90","","90","","120","","3501.4","1.3","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Na2 S4 Sn Sr -","- Na2 S4 Sn Sr -","- Na36 S72 Sn18 Sr18 -","18","1","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0363","0.0351","","","0.0948","0.0955","","","","","","1.101","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550653","6.659","0.005","6.659","0.005","7.918","0.012","90","","90","","90","","351.1","0.6","296","2","296","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Li2 S4 Sn Sr -","- Li2 S4 Sn Sr -","- Li4 S8 Sn2 Sr2 -","2","0.125","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.01","0.0099","","","0.0224","0.0224","","","","","","0.802","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550654","9.0363","0.0006","20.0218","0.0013","21.2177","0.0015","90","","90","","90","","3838.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H56 Cl9 Mn2 N5 O6 -","- C22 H56 Cl9 Mn2 N5 O6 -","- C88 H224 Cl36 Mn8 N20 O24 -","4","1","","Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan","Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals","Chemical Science","2019","","","","","10.1039/C8SC04711A","","","0.71073","MoKα","","0.0517","0.0401","","","0.0768","0.0793","","","","","","0.971","","","","has coordinates","213841","2020-10-21","18:00:00",""
"1550655","6.544","0.0002","16.1548","0.0004","14.6769","0.0004","90","","95.619","0.003","90","","1544.14","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O2 -","- C8 H20 Cl4 Mn N2 O2 -","- C32 H80 Cl16 Mn4 N8 O8 -","4","1","","Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan","Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals","Chemical Science","2019","","","","","10.1039/C8SC04711A","","","0.71073","MoKα","","0.0254","0.0225","","","0.0572","0.0584","","","","","","1.068","","","","has coordinates","213841","2020-10-21","18:00:00",""
"1550656","8.2031","0.0002","16.729","0.0004","19.7339","0.0005","90","","90","","90","","2708.08","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 Cl2 -","- C37 H26 Cl2 -","- C148 H104 Cl8 -","4","1","","Lovell, Terri Christine; Colwell, Curtis Eugene; Zakharov, Lev; Jasti, Ramesh","Symmetry Breaking and the Turn-On Fluorescence of Small, Highly Strained Carbon Nanohoops","Chemical Science","2019","","","","","10.1039/C9SC00169G","","","1.54178","CuKα","","0.0342","0.0318","","","0.0792","0.0808","","","","","","1.051","","","","has coordinates","213842","2020-10-21","18:00:00",""
"1550657","10.6917","0.0002","22.9933","0.0005","10.4658","0.0002","90","","112.22","0.001","90","","2381.82","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O -","- C29 H31 N O -","- C116 H124 N4 O4 -","4","1","","Bai, Da-Chang; xia, jintao; song, fangfang; li, xueyan; Liu, Bingxian; liu, lihong; zheng, guangfan; Yang, Xifa; Sun, Jiaqiong; Li, Xingwei","Rhodium(III)-Catalyzed Diverse [4+1] Annulation of Arenes with 1,3-Enynes via sp3/sp2 C-H Activation and 1,4-Rhodium Migration","Chemical Science","2019","","","","","10.1039/C9SC00545E","","","1.54178","CuKα","","0.0889","0.075","","","0.1954","0.2129","","","","","","1.063","","","","has coordinates","213862","2020-10-21","18:00:00",""
"1550658","8.9088","0.0001","16.7762","0.0003","13.3993","0.0002","90","","101.004","0.001","90","","1965.78","0.05","296.6","0.4","296.6","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N P -","- C20 H20 F6 N P -","- C80 H80 F24 N4 P4 -","4","1","","Bai, Da-Chang; xia, jintao; song, fangfang; li, xueyan; Liu, Bingxian; liu, lihong; zheng, guangfan; Yang, Xifa; Sun, Jiaqiong; Li, Xingwei","Rhodium(III)-Catalyzed Diverse [4+1] Annulation of Arenes with 1,3-Enynes via sp3/sp2 C-H Activation and 1,4-Rhodium Migration","Chemical Science","2019","","","","","10.1039/C9SC00545E","","x-ray","1.54184","CuKα","","0.0801","0.072","","","0.2065","0.2163","","","","","","1.06","","","","has coordinates","213862","2020-10-21","18:00:00",""
"1550659","16.2073","0.0006","16.4367","0.0005","24.593","0.0008","87.881","0.002","87.409","0.002","77.762","0.002","6393.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C137 H128 Cl3 N9 O2 Zn -","- C137 H128 Cl3 N9 O2 Zn -","- C274 H256 Cl6 N18 O4 Zn2 -","2","1","","Wolf, Maximilian; Ogawa, Ayumu; Bechtold, Mareike; Vonesch, Maxime; Wytko, Jennifer; Oohora, Koji; Campidelli, Stephane; Hayashi, Takashi; Guldi, Dirk M.; Weiss, Jean","Light Triggers Molecular Shuttling in Rotaxanes: Control over Proximity and Charge Recombination","Chemical Science","2019","","","","","10.1039/C8SC05328F","","","1.54178","CuKα","","0.1155","0.0784","","","0.2184","0.2561","","","","","","1.039","","","","has coordinates,has disorder","213887","2020-10-21","18:00:00",""
"1550660","10.912","0.0017","10.9997","0.0017","11.6021","0.0018","91.68","0.008","97.459","0.008","91.733","0.008","1379.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br1.25 Cl0.75 N2 O2 -","- C32 H26 Br1.236 Cl0.764 N2 O2 -","- C64 H52 Br2.472 Cl1.528 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.1539","0.0458","","","0.0696","0.0921","","","","","","0.922","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550661","18.9449","0.0008","9.4629","0.0004","14.4914","0.0006","90","","90","","90","","2597.93","0.19","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H26 Br0.8 Cl1.2 N2 O2 -","- C32 H26 Br0.806 Cl1.194 N2 O2 -","- C128 H104 Br3.224 Cl4.776 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.038","0.0303","","","0.0547","0.0566","","","","","","1.021","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550662","10.9822","0.0013","10.9866","0.0013","11.604","0.0013","98.151","0.003","90.796","0.003","91.779","0.004","1385.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br0.65 Cl1.35 N2 O2 -","- C32 H26 Br0.67 Cl1.33 N2 O2 -","- C64 H52 Br1.34 Cl2.66 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.0726","0.0381","","","0.081","0.0916","","","","","","1.035","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550663","10.9647","0.0008","11.016","0.0008","11.6107","0.001","91.273","0.004","97.696","0.004","91.769","0.004","1388.64","0.19","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Br Cl N2 O2 -","- C32 H26 Br1.004 Cl0.996 N2 O2 -","- C64 H52 Br2.008 Cl1.992 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.0698","0.0353","","","0.0738","0.0848","","","","","","1.027","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550664","9.36375","0.00015","15.7571","0.0003","15.7989","0.0003","90","","100.932","0.0017","90","","2288.76","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C80 H96 N16 O24 S8 -","8","2","","Balachandar, S.; Sethuram, M.; Muthuraja, P.; Dhandapani, M.","Bioactivity of a radical scavenger bis(pyrazolium <i>p</i>-toluenesulphonate) on ctDNA and certain microbes: a combined experimental and theoretical analysis.","Toxicology research","2019","8","3","421","431","10.1039/c8tx00258d","","","1.54184","CuKα","","0.0621","0.0571","","","0.1526","0.1588","","","","","","1.064","","","","has coordinates","225369","2020-10-21","18:00:00",""
"1550665","10.0867","0.0001","15.69","0.0002","15.2941","0.0002","90","","105.464","0.001","90","","2332.82","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C83 H99 Mn4 N13 O25 -","- C83 H99 Mn4 N13 O25 -","- C83 H99 Mn4 N13 O25 -","1","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0473","0.0464","","","0.1312","0.1321","","","","","","1.057","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550666","18.6355","0.0007","18.6355","0.0007","34.4019","0.0012","90","","90","","120","","10346.5","0.7","173.01","0.1","173.01","0.1","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C14 H9 Cu N O4 -","- C14 H9 Cu N O4 -","- C252 H162 Cu18 N18 O72 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54184","CuKα","","0.0408","0.0381","","","0.1216","0.1244","","","","","","1.086","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550667","35.346","0.002","18.477","0.004","18.0998","0.0012","90","","92.956","0.007","90","","11805","3","173","0.1","173","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H22 N2 O16 Zr3 -","- C40 H22 N2 O16 Zr3 -","- C160 H88 N8 O64 Zr12 -","4","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1846","0.1305","","","0.3114","0.3681","","","","","","0.927","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550668","40.4997","0.0004","40.4997","0.0004","16.9534","0.0004","90","","90","","90","","27807.4","0.8","173","2","173","2","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C24 H13 B3 Hf3 O20 -","- C24 H13 B3 Hf3 O20 -","- C384 H208 B48 Hf48 O320 -","16","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0673","0.0593","","","0.1742","0.1842","","","","","","1.074","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550669","19.225","0.002","19.225","0.002","19.225","0.002","90","","90","","90","","7105.6","1.3","173.01","0.1","173.01","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C57 H12 N6 O38 Zr6 -","- C57 H12 N6 O38 Zr6 -","- C114 H24 N12 O76 Zr12 -","2","0.0208333","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1529","0.1155","","","0.3515","0.4127","","","","","","1.116","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550670","7.6897","0.0003","8.7992","0.0003","12.7198","0.0004","87.203","0.003","74.302","0.003","76.159","0.003","804.39","0.05","292.5","0.4","292.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O5 -","- C14 H11 Cd N O5 -","- C28 H22 Cd2 N2 O10 -","2","1","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0356","0.0327","","","0.0836","0.086","","","","","","1.046","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550671","40.5746","0.0008","40.5746","0.0008","17.0198","0.0004","90","","90","","90","","28019.7","1","173","0.1","173","0.1","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C24 H13 B3 O20 Zr3 -","- C24 H13 B3 O20 Zr3 -","- C384 H208 B48 O320 Zr48 -","16","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1378","0.1028","","","0.2872","0.3466","","","","","","1.158","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550672","18.4038","0.0008","18.4038","0.0008","34.5026","0.0019","90","","90","","120","","10120.4","0.8","150","0.1","150","0.1","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C14 H9 N O4 Zn -","- C14 H9 N O4 Zn -","- C252 H162 N18 O72 Zn18 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54184","CuKα","","0.0645","0.0602","","","0.1639","0.1673","","","","","","1.088","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550673","32.872","0.002","19.2171","0.0007","32.4","0.003","90","","105.239","0.009","90","","19748","2","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H96 Cd7 N8 O48 -","- C160 H92 Cd7 N8 O48 -","- C640 H368 Cd28 N32 O192 -","4","0.5","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.1747","0.1068","","","0.2963","0.3422","","","","","","0.909","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550674","32.0315","0.0003","28.2049","0.0003","19.86","0.0002","90","","90","","90","","17942.4","0.3","243","2","243","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H22 In N2 O8 -","- C40 H22 In N2 O8 -","- C320 H176 In8 N16 O64 -","8","1","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0804","0.0706","","","0.2197","0.2308","","","","","","1.031","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550675","54.3601","0.001","54.3601","0.001","42.0659","0.0013","90","","90","","120","","107652","4","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C80 H44 N4 O24 Zn5 -","- C80 H44 N4 O24 Zn5 -","- C1440 H792 N72 O432 Zn90 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.146","0.0938","","","0.2655","0.3082","","","","","","1.001","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550676","8.2322","0.0009","16.009","0.0015","30.617","0.003","90","","90","","90","","4035","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H26 F3 N O3 S -","- C18 H26 F3 N O3 S -","- C144 H208 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.0742","0.057","","","0.1583","0.1716","","","","","","1.095","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550677","33.4373","0.0011","8.2621","0.0002","15.8008","0.0006","90","","93.54","0.003","90","","4356.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 F3 N O3 S -","- C20 H30 F3 N O3 S -","- C160 H240 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.068","0.0588","","","0.1463","0.1517","","","","","","1.103","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550678","15.176","0.0014","15.7667","0.0014","12.417","0.0009","90","","96.938","0.008","90","","2949.3","0.4","120.01","0.02","120.01","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 N2 -","- C34 H52 N2 -","- C136 H208 N8 -","4","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.1182","0.0907","","","0.2111","0.2237","","","","","","1.039","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550679","34.1987","0.0012","8.2153","0.0003","15.7716","0.0006","90","","101.86","0.004","90","","4336.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 F3 N O3 S -","- C19 H28 F3 N O3 S -","- C152 H224 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.0467","0.0407","","","0.105","0.1087","","","","","","1.057","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550680","18.9188","0.0012","10.3807","0.0006","35.7997","0.0016","90","","97.509","0.004","90","","6970.4","0.7","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C138 H202 F19 N6 O18 S6 -","- C138 H202 F19 N6 O18 S6 -","- C276 H404 F38 N12 O36 S12 -","2","0.25","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.1916","0.159","","","0.3767","0.396","","","","","","1.173","","","","has coordinates,has disorder","213904","2020-10-21","18:00:00",""
"1550681","15.1161","0.0005","9.3373","0.0003","18.4406","0.0007","90","","110.474","0.0012","90","","2438.36","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Bi F3 N3 O4 S -","- C24 H19 Bi F3 N3 O4 S -","- C96 H76 Bi4 F12 N12 O16 S4 -","4","1","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0482","0.0303","","","0.0609","0.0664","","","","","","0.99","","","","has coordinates","213905","2020-10-21","18:00:00",""
"1550682","11.2452","0.0006","16.0336","0.0007","19.9108","0.0011","90","","96.575","0.002","90","","3566.3","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Bi F3 N5 O3 S -","- C37 H33 Bi F3 N5 O3 S -","- C148 H132 Bi4 F12 N20 O12 S4 -","4","1","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0361","0.0316","","","0.0673","0.0687","","","","","","1.221","","","","has coordinates,has disorder","213905","2020-10-21","18:00:00",""
"1550683","17.7873","0.0009","19.5468","0.001","17.094","0.0008","90","","108.196","0.0013","90","","5646.1","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H24.5 Bi F3 N4.5 O3 S -","- C27.5 H24.5 Bi F3 N4.5 O3 S -","- C220 H196 Bi8 F24 N36 O24 S8 -","8","2","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0268","0.0202","","","0.0424","0.0444","","","","","","0.993","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1550684","10.527","0.003","27.102","0.011","11.87","0.004","90","","91.991","0.015","90","","3384","2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.51 H35.44 Bi F3 N4.51 O3.49 S -","- C32.512 H35.44 Bi F3 N4.512 O3.488 S -","- C130.048 H141.76 Bi4 F12 N18.048 O13.952 S4 -","4","1","","Ramler, Jacqueline; Poater, Jordi; Hrisch, Florian; Ritschel, Benedikt; Fischer, Ingo; Bickelhaupt, F. Matthias; Lichtenberg, Crispin","Carbon Monoxide Insertion at a Heavy p-Block Element: Unprecedented Formation of a Cationic Bismuth Carbamoyl","Chemical Science","2019","","","","","10.1039/C9SC00278B","","","0.71073","MoKα","","0.0303","0.0214","","","0.0487","0.0518","","","","","","0.942","","","","has coordinates,has disorder","213905","2020-10-21","18:00:00",""
"1550685","14.1458","0.0006","13.4627","0.0004","22.3724","0.0006","90","","107.134","0.004","90","","4071.5","0.3","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","M4-008","","- C108 H86 -","- C108 H86 -","- C216 H172 -","2","0.5","","Ma, Ji; Zhang, Ke; Schellhammer, Karl Sebastian; Fu, Yubin; Komber, Hartmut; Xu, Chi; Popov, Alexey A.; Hennersdorf, Felix; Weigand, Jan J.; Zhou, Shengqiang; Pisula, Wojciech; Ortmann, Frank; Berger, Reinhard Franz Josef; Liu, Junzhi; Feng, Xinliang","Wavy-shaped Polycyclic Hydrocarbons with Controlled Aromaticity","Chemical Science","2019","","","","","10.1039/C8SC05416A","","x-ray","1.54184","CuKα","","0.0839","0.0618","","","0.1698","0.1881","","","","","","1.039","","","","has coordinates","213906","2020-10-21","18:00:00",""
"1550686","31.3411","0.0008","28.1487","0.0006","24.341","0.0007","90","","107.002","0.003","90","","20535.4","1","100","0.1","100","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","9","M4A-008","","- C108 H90 -","- C108 H90 -","- C864 H720 -","8","1","","Ma, Ji; Zhang, Ke; Schellhammer, Karl Sebastian; Fu, Yubin; Komber, Hartmut; Xu, Chi; Popov, Alexey A.; Hennersdorf, Felix; Weigand, Jan J.; Zhou, Shengqiang; Pisula, Wojciech; Ortmann, Frank; Berger, Reinhard Franz Josef; Liu, Junzhi; Feng, Xinliang","Wavy-shaped Polycyclic Hydrocarbons with Controlled Aromaticity","Chemical Science","2019","","","","","10.1039/C8SC05416A","","x-ray","1.54184","CuKα","","0.1683","0.1246","","","0.2951","0.3349","","","","","","0.855","","","","has coordinates,has disorder","213906","2020-10-21","18:00:00",""
"1550687","6.508","0.004","10.524","0.006","16.047","0.01","90","","90.507","0.01","90","","1099","1.1","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Iodophenyl)pentanedinitrile","","- C11 H9 I N2 -","- C11 H9 I N2 -","- C44 H36 I4 N8 -","4","1","PK4025","Nanpo, Yuuki; Okuno, Tsunehisa","3-(4-Iodophenyl)pentanedinitrile","IUCrData","2019","4","2","x190282","","10.1107/S2414314619002827","","","0.71075","MoKα","","0.0855","0.0684","","","0.0896","0.0951","","","","","","1.207","","","","has coordinates","213919","2020-10-21","18:00:00",""
"1550688","9.871","0.004","10.973","0.005","18.067","0.007","90","","91.908","0.014","90","","1955.8","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","GG4002","Kihle, Jan Braly; Görbitz, Carl Henrik","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","IUCrData","2019","4","2","x190289","","10.1107/S241431461900289X","","","0.71073","MoKα","","0.0529","0.0407","","","0.1046","0.1111","","","","","","1.029","","","","has coordinates,has Fobs","213920","2020-10-21","18:00:00",""
"1550689","23.5746","0.0011","18.8529","0.0006","22.1333","0.0006","90","","90","","90","","9837.1","0.6","296","2","296","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C49 H62 B11 N -","- C49 H62 B11 N -","- C392 H496 B88 N8 -","8","0.5","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","1.34139","GaKα","","0.1178","0.0839","","","0.2304","0.2591","","","","","","1.037","","","","has coordinates,has disorder","213941","2020-10-21","18:00:00",""
"1550690","8.7468","0.0009","10.0535","0.0007","26.411","0.003","90","","95.913","0.008","90","","2310.1","0.4","293","2","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H25 B11 Br N3 O2 Pd -","- C9 H25 B11 Br N3 O2 Pd -","- C36 H100 B44 Br4 N12 O8 Pd4 -","4","1","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","0.71073","MoKα","","0.129","0.0974","","","0.2335","0.2545","","","","","","1.054","","","","has coordinates","213941","2020-10-21","18:00:00",""
"1550691","11.9981","0.0003","20.7041","0.0004","21.3976","0.0004","90","","92.91","0.001","90","","5308.52","0.19","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H68 B11 N O3 -","- C53 H68 B11 N O3 -","- C212 H272 B44 N4 O12 -","4","1","","Shen, Yunjun; Zhang, Kang; Liang, Xuewei; Dontha, Rakesh; Duttwyler, Simon","Highly selective palladium-catalyzed one-pot, five-fold B‒H/C‒H cross coupling of monocarboranes with alkenes","Chemical Science","2019","","","","","10.1039/C9SC00078J","","","1.34139","GaKα","","0.1609","0.0991","","","0.2591","0.3133","","","","","","1.03","","","","has coordinates,has disorder","213941","2020-10-21","18:00:00",""
"1550692","6.2237","0.0015","10.551","0.003","12.693","0.003","98.868","0.004","99.615","0.004","106.235","0.004","771.1","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C30 H30 N2 O10 S2 -","2","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0723","0.0526","","","0.1304","0.1423","","","","","","1.032","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550693","28.7","0.004","28.7","0.004","11.8086","0.0019","90","","90","","120","","8424","2","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C17 H14 N2 O2 S2 -","- C17 H14 N2 O2 S2 -","- C306 H252 N36 O36 S36 -","18","","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.078","0.0468","","","0.1087","0.124","","","","","","1.021","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550694","11.4238","0.0013","20.241","0.002","13.3064","0.0014","90","","115.3","0.002","90","","2781.7","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 I N4 O S2 -","- C28 H27 I N4 O S2 -","- C112 H108 I4 N16 O4 S8 -","4","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0932","0.0505","","","0.1276","0.1571","","","","","","1.022","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550695","6.515","0.008","11.778","0.016","22.99","0.03","90","","99.01","0.04","90","","1742","4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O3 S2 -","- C19 H14 N2 O3 S2 -","- C76 H56 N8 O12 S8 -","4","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.1968","0.0629","","","0.1221","0.1693","","","","","","0.823","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550696","13.4772","0.0013","20.032","0.002","20.904","0.002","90","","90","","90","","5643.6","1","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 I N3 O S2 -","- C25 H24 I N3 O S2 -","- C200 H192 I8 N24 O8 S16 -","8","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0843","0.0535","","","0.1346","0.1523","","","","","","1.04","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550697","7.2725","0.0011","10.5716","0.0017","10.5761","0.0016","88.06","0.002","74.048","0.002","70.689","0.002","736.4","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N O -","- C15 H16 I N O -","- C30 H32 I2 N2 O2 -","2","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0382","0.0319","","","0.0764","0.0798","","","","","","1.034","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550698","8.087","0.002","9.953","0.003","12.356","0.005","111.892","0.006","94.737","0.006","110.387","0.004","838.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O4 S -","- C19 H14 N2 O4 S -","- C38 H28 N4 O8 S2 -","2","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0797","0.0493","","","0.1173","0.1359","","","","","","1.011","","","","has coordinates,has disorder","213943","2020-10-21","18:00:00",""
"1550699","11.9911","0.0019","16.171","0.003","11.1317","0.0018","90","","117.048","0.003","90","","1922.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C72 H64 N8 O8 S8 -","4","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0815","0.0498","","","0.1165","0.1313","","","","","","1.021","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550700","7.806","0.002","12.459","0.004","17.312","0.005","85.886","0.006","89.534","0.006","76.326","0.005","1631.7","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O4 S -","- C19 H14 N2 O4 S -","- C76 H56 N8 O16 S4 -","4","2","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.1295","0.0642","","","0.1271","0.1592","","","","","","0.961","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550701","9.6491","0.0007","12.1125","0.0009","9.7759","0.0006","90","","117.882","0.002","90","","1009.92","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C44 H38 Br2 N4 O6 -","2","1","","Putatunda, Salil; Alegre-Requena, Juan V; Meazza, Marta; Franc, Michael; Rohalova, Dominika; Vemuri, Pooja Y.; Císařová, Ivana; Herrera, Raquel P.; Rios, Ramon; Vesely, Jan","Proline Bulky Substituents Consecutively Act as Steric Hindrances and Directing Groups in a Michael/Conia-Ene Cascade Reaction under Synergistic Catalysis","Chemical Science","2019","","","","","10.1039/C8SC05258A","","","0.71073","MoKα","","0.0354","0.0289","","","0.0629","0.065","","","","","","1.072","","","","has coordinates","213944","2020-10-21","18:00:00",""
"1550702","10.3176","0.0003","10.5583","0.0003","18.2395","0.0005","90","","90","","90","","1986.94","0.1","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C88 H76 Br4 N8 O12 -","4","1","","Putatunda, Salil; Alegre-Requena, Juan V; Meazza, Marta; Franc, Michael; Rohalova, Dominika; Vemuri, Pooja Y.; Císařová, Ivana; Herrera, Raquel P.; Rios, Ramon; Vesely, Jan","Proline Bulky Substituents Consecutively Act as Steric Hindrances and Directing Groups in a Michael/Conia-Ene Cascade Reaction under Synergistic Catalysis","Chemical Science","2019","","","","","10.1039/C8SC05258A","","","0.71073","MoKα","","0.0254","0.0225","","","0.0549","0.0561","","","","","","1.054","","","","has coordinates","213944","2020-10-21","18:00:00",""
"1550703","15.5472","0.0013","12.2242","0.001","17.3652","0.0015","90","","94.315","0.004","90","","3290.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H28 O -","- C49 H28 O -","- C196 H112 O4 -","4","1","","Li, Yin-Xiang; Zhang, He; Yu, Mengna; Wang, Sha-Sha; Liu, Yi-Ran; Lin, Dongqing; Xie, Linghai; Lin, Zong-Qiong; Huang, Wei","Supramolecular Steric Hindrance Effect on Morphologies and Photophysical Behaviors of Spirocyclic Aromatic Hydrocarbon Nanocrystals","Nanoscale","2019","","","","","10.1039/C9NR01064E","","","0.71073","MoKα","","0.2057","0.1173","","","0.2772","0.317","","","","","","1.158","","","","has coordinates","213967","2020-10-21","18:00:00",""
"1550704","8.821","0.01","9.062","0.01","20.85","0.02","86.212","0.016","79.334","0.015","64.024","0.015","1472","3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H24 O -","- C41 H24 O -","- C82 H48 O2 -","2","1","","Li, Yin-Xiang; Zhang, He; Yu, Mengna; Wang, Sha-Sha; Liu, Yi-Ran; Lin, Dongqing; Xie, Linghai; Lin, Zong-Qiong; Huang, Wei","Supramolecular Steric Hindrance Effect on Morphologies and Photophysical Behaviors of Spirocyclic Aromatic Hydrocarbon Nanocrystals","Nanoscale","2019","","","","","10.1039/C9NR01064E","","","0.71073","MoKα","","0.1196","0.0623","","","0.1593","0.1794","","","","","","1.067","","","","has coordinates","213968","2020-10-21","18:00:00",""
"1550705","14.999","0.005","11.913","0.004","16.835","0.005","90","","110.752","0.005","90","","2813","1.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C41 H24 -","- C41 H24 -","- C164 H96 -","4","1","","Li, Yin-Xiang; Zhang, He; Yu, Mengna; Wang, Sha-Sha; Liu, Yi-Ran; Lin, Dongqing; Xie, Linghai; Lin, Zong-Qiong; Huang, Wei","Supramolecular Steric Hindrance Effect on Morphologies and Photophysical Behaviors of Spirocyclic Aromatic Hydrocarbon Nanocrystals","Nanoscale","2019","","","","","10.1039/C9NR01064E","","","0.71073","MoKα","","0.1821","0.0545","","","0.083","0.108","","","","","","1.022","","","","has coordinates","213969","2020-10-21","18:00:00",""
"1550706","30.32","0.003","22.277","0.002","44.399","0.004","90","","104.461","0.0014","90","","29039","5","100","2","100","2","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C452.15 H656.6 Cl6.5 K2 N86 O94 Si16 -","- C452.15 H656.6 Cl6.5 K2 N86 O94 Si16 -","- C904.3 H1313.2 Cl13 K4 N172 O188 Si32 -","2","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.44281","synchrotron","","0.1101","0.0953","","","0.2614","0.283","","","","","","1.039","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550707","29.4434","0.0014","30.9027","0.0014","33.2881","0.0015","90","","90.387","0.002","90","","30288","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C236.35 H284 N46.61 O54 Si8 Sr -","- C236.35 H284 N46.61 O54 Si8 Sr -","- C945.4 H1136 N186.44 O216 Si32 Sr4 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1608","0.1308","","","0.331","0.3598","","","","","","1.437","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550708","56.969","0.016","56.969","0.016","56.969","0.016","90","","90","","90","","184891","9","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C166.3 H168 K N40 O49.15 S5.1 -","- C166.31 H168 K N40 O49.155 S5.105 -","- C3991.44 H4032 K24 N960 O1179.72 S122.52 -","24","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.41328","synchrotron","","0.1698","0.1286","","","0.3204","0.3403","","","","","","1.97","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550709","43.3567","0.0017","43.6708","0.0016","14.0917","0.0006","90","","90","","90","","26681.5","1.8","100","2","100","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C216.5 H304.75 F6 K N48.25 O40 P Si8 -","- C216.5 H280 F6 K N48.25 O40 P Si8 -","- C866 H1120 F24 K4 N193 O160 P4 Si32 -","4","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1203","0.0972","","","0.2632","0.2889","","","","","","1.033","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550710","28.1","0.05","36.715","0.002","29.3334","0.0018","90","","98.061","0.003","90","","29964","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C222.52 H296 Ba N43.76 O51.5 Si8 -","- C222.534 H296 Ba N43.767 O51.5 Si8 -","- C890.136 H1184 Ba4 N175.068 O206 Si32 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1504","0.1184","","","0.306","0.3391","","","","","","1.299","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550711","43.381","0.009","43.722","0.009","14.181","0.003","90","","90","","90","","26897","10","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C206.75 H280 N42 O42.75 Rb Si8 -","- C206.75 H280 N42 O42.75 Rb Si8 -","- C827 H1120 N168 O171 Rb4 Si32 -","4","1","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","0.41328","synchrotron","","0.1701","0.1474","","","0.3511","0.3615","","","","","","2.384","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550712","29.5563","0.0008","30.8599","0.001","33.3264","0.001","90","","90.621","0.002","90","","30395.4","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C228.75 H322.25 Ba Cl5 N46 O54 Si8 -","- C228.75 H322.25 Ba Cl5 N46 O54 Si8 -","- C915 H1289 Ba4 Cl20 N184 O216 Si32 -","4","2","","Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao","Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent","Chemical Science","2019","","","","","10.1039/C9SC00190E","","","1.54178","CuKα","","0.1506","0.1087","","","0.289","0.334","","","","","","1.022","","","","has coordinates,has disorder","214026","2020-10-21","18:00:00",""
"1550713","11.5535","0.0003","11.5464","0.0003","17.0207","0.0004","90","","107.922","0.003","90","","2160.41","0.1","198","","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-75C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0313","0.0249","","","0.0661","0.0693","","","","","","0.903","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550714","11.4311","0.0003","11.5318","0.0003","16.9629","0.0004","90","","107.683","0.003","90","","2130.42","0.1","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-150C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0223","0.0189","","","0.0441","0.0451","","","","","","0.919","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550715","11.4695","0.0003","11.5435","0.0002","16.9813","0.0004","90","","107.754","0.003","90","","2141.22","0.09","148","","148","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-125C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0257","0.0213","","","0.0492","0.0505","","","","","","0.999","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550716","12.358","0.0003","11.0601","0.0002","17.0928","0.0004","90","","108.556","0.003","90","","2214.8","0.09","248","","248","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-25C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0349","0.0253","","","0.0664","0.0706","","","","","","0.984","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550717","12.3955","0.0004","11.09","0.0003","17.1445","0.0005","90","","108.694","0.003","90","","2232.45","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_25C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0386","0.0269","","","0.056","0.0597","","","","","","1.026","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550718","11.6176","0.0003","11.5301","0.0003","17.0283","0.0005","90","","108.005","0.003","90","","2169.28","0.11","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-50C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0345","0.0263","","","0.068","0.072","","","","","","0.878","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550719","11.5041","0.0003","11.5471","0.0003","16.9982","0.0004","90","","107.843","0.003","90","","2149.41","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_-100C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.028","0.0227","","","0.0573","0.0591","","","","","","0.937","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550720","12.3778","0.0004","11.0704","0.0003","17.1193","0.0005","90","","108.64","0.003","90","","2222.76","0.12","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1_0C","","- C27 H19 Au Cl N -","- C27 H19 Au Cl N -","- C108 H76 Au4 Cl4 N4 -","4","1","","Seki, Tomohiro; Mashimo, Takaki; Ito, Hajime","Anisotropic strain release in a thermosalient crystal: Correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion","Chemical Science","2019","","","","","10.1039/C8SC05563G","","x-ray","0.71073","MoKα","","0.0358","0.0245","","","0.0509","0.0537","","","","","","1.028","","","","has coordinates","214027","2020-10-21","18:00:00",""
"1550721","24.8126","0.0004","18.0121","0.0003","38.6964","0.0005","90","","97.9069","0.0014","90","","17130","0.5","173","0.14","173","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H106 O Si2 -","- C99 H106 O Si2 -","- C792 H848 O8 Si16 -","8","1","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.0786","0.0703","","","0.1945","0.2028","","","","","","1.031","","","","has coordinates,has disorder","214028","2020-10-21","18:00:00",""
"1550722","20.4873","0.0005","20.6875","0.0004","18.5691","0.0005","90","","91.809","0.002","90","","7866.2","0.3","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H94 O Si2 -","- C93 H94 O Si2 -","- C372 H376 O4 Si8 -","4","0.5","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.0997","0.0798","","","0.2278","0.2555","","","","","","1.094","","","","has coordinates,has disorder","214028","2020-10-21","18:00:00",""
"1550723","18.0943","0.0005","8.83112","0.00019","17.4814","0.0005","90","","114.242","0.004","90","","2547.08","0.14","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 O2 Si -","- C31 H28 O2 Si -","- C124 H112 O8 Si4 -","4","1","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.057","0.0433","","","0.112","0.1254","","","","","","1.051","","","","has coordinates","214028","2020-10-21","18:00:00",""
"1550724","12.2752","0.0002","12.07696","0.00018","17.4177","0.0003","90","","105.241","0.0018","90","","2491.31","0.07","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Basel, Bettina Sabine; Hetzer, Constantin; Zirzlmeier, Johannes; Thiel, Dominik; Guldi, Rebecca; Hampel, Frank; Kahnt, Axel; Clark, Timothy; Guldi, Dirk Michael; Tykwinski, Rik R.","Davydov splitting and singlet fission in excitonically coupled pentacene dimers","Chemical Science","2019","","","","","10.1039/C9SC00384C","","x-ray","1.54184","CuKα","","0.0654","0.0507","","","0.1374","0.1488","","","","","","1.062","","","","has coordinates","214028","2020-10-21","18:00:00",""
"1550725","4.0291","0.0003","8.8371","0.0006","12.3963","0.001","100.672","0.006","91.86","0.006","102.273","0.006","422.64","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","OIP-AD","","- C6 H5 Cl2.5 N Pb -","- C6 H5 Cl2.5 N Pb -","- C12 H10 Cl5 N2 Pb2 -","2","1","","Yang, Xiao-Gang; Ma, Lufang; Yan, Dongpeng","Facile Synthesis of 1D Organic‒Inorganic Perovskite Micro-Belts with High Water Stability for Sensor and Photonic Applications","Chemical Science","2019","","","","","10.1039/C9SC00162J","","x-ray","0.71073","MoKα","","0.0549","0.0477","","","0.0971","0.1053","","","","","","0.9427","","","","has coordinates","214054","2020-10-21","18:00:00",""
"1550726","73.5168","0.0016","73.5168","0.0016","73.5168","0.0016","90","","90","","90","","397338","15","298","","298","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","MIL-100(Ti)","- C387.84 H347.52 O312.92 Ti51 -","- C386.16 H342.48 O312.08 Ti51 -","- C6178.56 H5479.68 O4993.28 Ti816 -","16","0.0833333","","Castells-Gil, Javier; Padial, Natalia M.; Almora-Barrios, Neyvis; da Silva, Ivan; Mateo, Diego; Albero, Josep; Garcia, Hermenegildo; Martí-Gastaldo, Carlos","De novo synthesis of mesoporous photoactive titanium(IV)-organic frameworks with MIL-100 topology","Chemical Science","2019","","","","","10.1039/C8SC05218B","powder diffraction","","1.5406","CuKα","","1.88511","","","","","","","","2.72301","","","","","","","has coordinates","214055","2020-10-21","18:00:00",""
"1550727","10.9667","0.0005","12.303","0.0005","20.3131","0.0012","90","","90","","90","","2740.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","1","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","0.71073","MoKα","","0.0663","0.0391","","","0.0884","0.102","","","","","","1.01","","","","has coordinates","225364","2020-10-21","18:00:00",""
"1550728","15.1171","0.0003","10.6355","0.0003","39.0096","0.0009","90","","94.405","0.002","90","","6253.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C288 H192 N16 O16 S8 -","8","2","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","1.54178","CuKα","","0.1469","0.1248","","","0.3187","0.3354","","","","","","1.273","","","","has coordinates","225364","2020-10-21","18:00:00",""
"1550729","7.3501","0.0009","13.554","0.002","13.9104","0.0019","79.271","0.004","89.105","0.004","89.582","0.004","1361.4","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H8 O45 Sm4 -","- C40 H8 O45 Sm4 -","- C40 H8 O45 Sm4 -","1","0.5","","Lee, Li-Wei; Pao, Szu-Ying; Pathak, Abhishek; Kang, Dun-Yen; Lu, Kuang-Lieh","Membrane adsorber containing a new Sm(iii)‒organic framework for dye removal","Environmental Science: Nano","2019","6","4","1067","","10.1039/C9EN00018F","","","0.71073","MoKα","","0.1224","0.1071","","","0.2866","0.2969","","","","","","1.164","","","","has coordinates,has disorder","225368","2020-10-21","18:00:00",""
"1550730","16.3305","0.0008","19.4097","0.001","28.6354","0.0015","94.786","0.001","98.753","0.001","112.59","0.001","8181.8","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H202 K5 N12 O32 Rh3 Sn24 -","- C103 H202 K5 N12 O32 Rh3 Sn24 -","- C206 H404 K10 N24 O64 Rh6 Sn48 -","2","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.1018","0.0515","","","0.1114","0.1352","","","","","","1.013","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550731","15.142","0.003","15.879","0.004","19.18","0.005","81.348","0.005","87.147","0.004","74.041","0.005","4383.3","1.8","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H115 K3 N8 O18 Rh Sn10 -","- C56 H116 K3 N8 O18 Rh Sn10 -","- C112 H232 K6 N16 O36 Rh2 Sn20 -","2","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.1032","0.0707","","","0.1831","0.2052","","","","","","1.044","","","","has coordinates,has disorder","214073","2020-10-21","18:00:00",""
"1550732","24.749","0.003","24.749","","29.868","0.003","90","","90","","120","","15844","2","120.15","","120.15","","","","","","","","","7","R -3","-R 3","148","","","","- C25 H44 K N2 O6 Rh0.33 Sn4 -","- C25 H44 K N2 O6 Rh0.333333 Sn4 -","- C450 H792 K18 N36 O108 Rh6 Sn72 -","18","","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0638","0.0427","","","0.0875","0.0973","","","","","","1.045","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550733","27.302","0.005","17.503","0.003","21.667","0.004","90","","97.132","0.004","90","","10274","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K1.5 N4 O10 Rh0.5 Sn6 -","- C30 H61 K1.5 N4 O10 Rh0.5 Sn6 -","- C240 H488 K12 N32 O80 Rh4 Sn48 -","8","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0711","0.0477","","","0.115","0.1254","","","","","","1.057","","","","has coordinates","214073","2020-10-21","18:00:00",""
"1550734","21.5558","0.0014","16.1668","0.001","33.205","0.002","90","","97.828","0.001","90","","11463.7","1.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H140 K6 N14 O18 Rh2 Sn17 -","- C62.5 H138 K6 N13.5 O18 Rh2 Sn17 -","- C250 H552 K24 N54 O72 Rh8 Sn68 -","4","1","","Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming","Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒","Chemical Science","2019","","","","","10.1039/C8SC03948H","","","0.71073","MoKα","","0.0387","0.0292","","","0.0604","0.0643","","","","","","1.014","","","","has coordinates,has disorder","214073","2020-10-21","18:00:00",""
"1550735","10.448","0.002","10.636","0.002","19.123","0.004","101.538","0.01","95.067","0.011","104.449","0.01","1994.7","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H66 F24 N8 P4 S2 -","- C90 H66 F24 N8 P4 S2 -","- C90 H66 F24 N8 P4 S2 -","1","0.5","","Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R.","Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor","Chemical Science","2019","","","","","10.1039/C8SC05514A","","","1.54178","CuKα","","0.0961","0.076","","","0.1824","0.1943","","","","","","1.105","","","","has coordinates,has disorder","214074","2020-10-21","18:00:00",""
"1550736","10.3592","0.0004","10.5764","0.0004","19.6578","0.0008","102.138","0.002","95.368","0.002","103.9","0.002","2020.27","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H62 F24 N10 P4 S4 -","- C88 H62 F24 N10 P4 S4 -","- C88 H62 F24 N10 P4 S4 -","1","0.5","","Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R.","Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor","Chemical Science","2019","","","","","10.1039/C8SC05514A","","","1.54178","CuKα","","0.0449","0.037","","","0.0962","0.1019","","","","","","1.039","","","","has coordinates,has disorder","214074","2020-10-21","18:00:00",""
"1550737","7.5561","0.0003","7.5561","0.0003","34.3002","0.0016","90","","90","","120","","1695.99","0.12","273","2","273","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Bi3 Cl16 Rb7 -","- Bi3 Cl15.999 Rb6.9998 -","- Bi6 Cl31.998 Rb13.9996 -","2","0.166667","","Xie, Jie-Ling; Huang, Zhao-Qian; Wang, Bin; Chen, Wei-Jun; Lu, Wen-Xiu; Liu, Xin; Song, Jun-Ling","New lead-free perovskite Rb<sub>7</sub>Bi<sub>3</sub>Cl<sub>16</sub> nanocrystals with blue luminescence and excellent moisture-stability.","Nanoscale","2019","11","14","6719","6726","10.1039/c9nr00600a","","","0.71073","MoKα","","0.0469","0.0432","","","0.1053","0.1081","","","","","","1.065","","","","has coordinates,has disorder","224664","2020-10-21","18:00:00",""
"1550738","12.53","0.0007","13.3747","0.0007","13.8179","0.0008","62.734","0.002","68.276","0.002","76.955","0.002","1907.76","0.19","300","2","300.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H26 N13 O5 -","- C41 H26 N13 O5 -","- C82 H52 N26 O10 -","2","1","","Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Patra, Ranjan; Kirandeep, ?; Kasula, Mamatha","Synthesis and photophysical properties of pyridyl conjugated triazole appended naphthalenediimide derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1333","1341","10.1039/c9pp00003h","","","0.71073","MoKα","","0.1642","0.0845","","","0.2369","0.2692","","","","","","1.031","","","","has coordinates","225322","2020-10-21","18:00:00",""
"1550739","14.9719","0.0004","7.6746","0.0003","24.3948","0.0006","90","","91.371","0.003","90","","2802.24","0.15","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PBX","","- C23 H21 Cl3 Co2 N2 O6 -","- C23 H21 Cl3 Co2 N2 O6 -","- C92 H84 Cl12 Co8 N8 O24 -","4","1","","Pan, Bingxin; Peng, Xu; Wang, Yifan; An, Qi; Zhang, Xu; Zhang, Yuexing; Teets, Thomas S.; Zeng, Ming-Hua","Tracking Pyrolysis Process of a 3-MeOsalophen-ligand based Co2 Complex for Promoted Oxygen Evolution Reaction","Chemical Science","2019","","","","","10.1039/C9SC00505F","","x-ray","1.54184","CuKα","","0.0972","0.0854","","","0.239","0.2561","","","","","","1.041","","","","has coordinates","214096","2020-10-21","18:00:00",""
"1550740","12.027","0.005","15.901","0.007","13.857","0.006","90","","91.391","0.009","90","","2649","2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 O5 P -","- C30 H37 O5 P -","- C120 H148 O20 P4 -","4","2","","Yang, Guohui; Li, Yao; Li, Xin; Cheng, Jin-Pei","Access to P-Chiral Phosphine Oxides by Enantioselective Allylic Alkylation of Bisphenols","Chemical Science","2019","","","","","10.1039/C8SC05439H","","","0.71073","MoKα","","0.1449","0.1225","","","0.3363","0.3641","","","","","","1.036","","","","has coordinates","214097","2020-10-21","18:00:00",""
"1550741","14.2918","0.0016","16.4145","0.0018","21.516","0.003","109.652","0.005","104.243","0.004","99.97","0.004","4422.7","1","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H139 Li O3 Si6 -","- C87 H139 Li O3 Si6 -","- C174 H278 Li2 O6 Si12 -","2","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0952","0.0628","","","0.1581","0.1885","","","","","","1.064","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550742","38.1514","0.0015","12.7134","0.0005","33.8416","0.0011","90","","94.456","0.003","90","","16364.7","1.1","132","2","132","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C80.5 H130 Si7 -","- C80.5 H130 Si7 -","- C644 H1040 Si56 -","8","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0584","0.0431","","","0.1036","0.1118","","","","","","1.031","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550743","21.007","0.0007","20.4182","0.0007","19.9183","0.0007","90","","95.4324","0.0013","90","","8505.1","0.5","152","2","152","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H138 Si7 -","- C84 H138 Si7 -","- C336 H552 Si28 -","4","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0737","0.0473","","","0.1158","0.1319","","","","","","1.032","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550744","13.3961","0.0003","18.2592","0.0005","19.4141","0.0004","67.901","0.001","70.154","0.001","76.309","0.001","4106.07","0.17","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H131 O Si6 -","- C83 H131 O Si6 -","- C166 H262 O2 Si12 -","2","1","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0908","0.0544","","","0.1381","0.1578","","","","","","1.032","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550745","17.8496","0.0008","24.937","0.001","20.3519","0.0009","90","","99.856","0.002","90","","8925.2","0.7","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170 H264 B2 Li2 O2 Si12 -","- C170 H264 B2 Li2 O2 Si12 -","- C340 H528 B4 Li4 O4 Si24 -","2","0.5","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.0991","0.0643","","","0.1752","0.1926","","","","","","1.403","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550746","18.8229","0.0006","28.6659","0.001","30.799","0.0012","90","","107.786","0.002","90","","15824.1","1","132","2","132","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H120 O Si6 -","- C82 H120 O Si6 -","- C656 H960 O8 Si48 -","8","2","","Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David","Site-Selective Functionalization of Si6R6 Siliconoids","Chemical Science","2019","","","","","10.1039/C8SC05591B","","","0.71073","MoKα","","0.1038","0.0648","","","0.1395","0.1598","","","","","","1.081","","","","has coordinates,has disorder","214124","2020-10-21","18:00:00",""
"1550747","9.0676","0.0004","15.524","0.0008","2.917","0.0001","90","","90","","90","","410.61","0.03","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","Na0.780Ti2.22Al4.78O12","","","- Al4.78 Na0.78 O12 Ti2.22 -","- Al4.78 Na0.78 O12 Ti2.22 -","- Al9.56 Na1.56 O24 Ti4.44 -","2","0.25","","Fukuda, K.; Hasegawa, S.; Hasegawa, E.; Urushihara, D.; Asaka, T.","Grain-oriented polycrystalline sodium titanoaluminate formed by reactive diffusion between solid Al2TiO5 and liquid [25mol% Na2O and 75mol% TiO2]","Journal of the Ceramic Society of Japan","2019","127","","150","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","214128","2020-10-21","18:00:00",""
"1550748","9.7078","0.0002","9.7078","0.0002","7.2393","0.0001","90","","90","","120","","590.839","0.019","","","","","","","","","","","","5","P 63/m","-P 6c","176","La9.113K0.8464Si5.895O25.7674F0.2326","","","- F0.2326 K0.8464 La9.113 O25.7674 Si5.895 -","- F0.2326 K0.8464 La9.1128 O25.7674 Si5.8956 -","- F0.2326 K0.8464 La9.1128 O25.7674 Si5.8956 -","1","0.0833333","","Fukuda, K.; Tsunoda, Y.; Urushihara, D.; Asaka, T.; Yoshida, H.","Flux growth of doped lanthanum silicate oxyapatite crystals with hexagonal tabular morphology","Journal of the Ceramic Society of Japan","2019","127","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","214129","2020-10-21","18:00:00",""
"1550749","12.569","0.002","22.176","0.003","3.6728","0.0006","90","","90","","90","","1023.7","0.3","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H9 N7 O -","- C9 H9 N7 O -","- C36 H36 N28 O4 -","4","1","","Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang","A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00191C","","","0.71073","MoKα","","0.0478","0.0366","","","0.08","0.0865","","","","","","1.061","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550750","20.1497","0.0019","7.1876","0.0007","34.937","0.004","90","","94.669","0.003","90","","5043.1","0.9","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N14 Ni3 O22 -","- C36 H40 N14 Ni3 O22 -","- C144 H160 N56 Ni12 O88 -","4","0.5","","Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang","A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00191C","","","0.71073","MoKα","","0.0852","0.0483","","","0.1178","0.1319","","","","","","1.032","","","","has coordinates,has disorder","214131","2020-10-21","18:00:00",""
"1550751","24.7912","0.0003","24.7912","0.0003","31.0121","0.0006","90","","90","","90","","19060.1","0.5","149.97","0.1","149.97","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C49 H63 Cl N2 Pd -","- C49 H63 Cl N2 Pd -","- C784 H1008 Cl16 N32 Pd16 -","16","1","","Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing","Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts","Polymer Chemistry","2019","10","16","2029","","10.1039/C9PY00126C","","x-ray","1.54178","CuKα","","0.047","0.041","","","0.1008","0.1063","","","","","","1.067","","","","has coordinates,has disorder","288248","2023-12-12","12:55:26",""
"1550752","27.646","0.002","21.9906","0.0011","25.7467","0.0016","90","","90.474","0.007","90","","15652.2","1.7","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H65 B F24 N2 O3 Pd -","- C80.75 H62.6 B F23.875 N2 O2.75 Pd -","- C646 H500.8 B8 F191 N16 O22 Pd8 -","8","2","","Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing","Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts","Polymer Chemistry","2019","10","16","2029","","10.1039/C9PY00126C","","x-ray","0.71073","MoKα","","0.1423","0.0839","","","0.2007","0.2461","","","","","","1.01","","","","has coordinates,has disorder","225341","2020-10-21","18:00:00",""
"1550753","8.1712","0.0006","9.5435","0.0008","11.9771","0.001","104.231","0.004","99.49","0.004","100.705","0.004","867.57","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","","- C10 H24 Cl3 Co F N5 O -","- C9.999 H23.998 Cl3 Co F N5 O -","- C19.998 H47.996 Cl6 Co2 F2 N10 O2 -","2","1","WM4097","SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K.","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","IUCrData","2019","4","3","x190327","","10.1107/S2414314619003274","","","0.71073","MoKα","","0.0215","0.0193","","","0.0552","0.0578","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","214148","2020-10-21","18:00:00",""
"1550754","14.0857","0.0001","11.9965","0.0001","24.9643","0.0002","90","","97.675","0.001","90","","4180.65","0.06","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl2 Ir N4 O5 -","- C42 H49 Cl2 Ir N4 O5 -","- C168 H196 Cl8 Ir4 N16 O20 -","4","1","","Tickner, Ben; John, Richard O.; Roy, Soumya Singha; Hart, Sam; Whitwood, Adrian Charles; Duckett, Simon B.","Using coligands to gain mechanistic insight into iridium complexes hyperpolarized with para-hydrogen","Chemical Science","2019","","","","","10.1039/C9SC00444K","","x-ray","0.71073","MoKα","","0.0289","0.0219","","","0.0437","0.0465","","","","","","1.043","","","","has coordinates","214196","2020-10-21","18:00:00",""
"1550755","11.5","0.005","12.544","0.006","16.944","0.007","90","","109.6","0.02","90","","2302.6","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H35 B2 N3 Se2 Si2 -","- C15 H35 B2 N3 Se2 Si2 -","- C60 H140 B8 N12 Se8 Si8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0668","0.0394","","","0.0848","0.0956","","","","","","1.02","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550756","8.6416","0.0007","13.4779","0.0011","14.6575","0.0012","75.409","0.003","77.096","0.003","85.54","0.003","1610","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 B2 N2 Se2.96 -","- C33 H42 B2 N2 Se2.9644 -","- C66 H84 B4 N4 Se5.9288 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0549","0.0378","","","0.0848","0.0905","","","","","","1.089","","","","has coordinates,has disorder","214197","2020-10-21","18:00:00",""
"1550757","12.9542","0.0007","12.1291","0.0007","20.4231","0.001","90","","90.59","0.002","90","","3208.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B2 N2 Se2 -","- C33 H42 B2 N2 Se2 -","- C132 H168 B8 N8 Se8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0792","0.0384","","","0.0731","0.0858","","","","","","1.018","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550758","9.1005","0.001","11.8019","0.0013","12.4035","0.0013","80.466","0.003","84.795","0.003","86.977","0.004","1307.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H82 B4 N6 S4 Si4 -","- C35 H82 B4 N6 S4 Si4 -","- C35 H82 B4 N6 S4 Si4 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0701","0.0621","","","0.1655","0.1725","","","","","","1.016","","","","has coordinates,has disorder","214197","2020-10-21","18:00:00",""
"1550759","8.8783","0.0008","13.1076","0.0011","14.7911","0.0013","73.716","0.002","75.16","0.003","83.313","0.002","1595.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 B2 N2 Te2 -","- C33 H42 B2 N2 Te2 -","- C66 H84 B4 N4 Te4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0239","0.0203","","","0.0532","0.0559","","","","","","1.03","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550760","9.2253","0.0004","13.3449","0.0005","14.4581","0.0006","107.015","0.001","93.867","0.001","90.035","0.001","1697.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B2 N4 Se2 -","- C30 H48 B2 N4 Se2 -","- C60 H96 B4 N8 Se4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.0202","0.0186","","","0.0447","0.0455","","","","","","1.036","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550761","8.4766","0.0011","13.3667","0.0019","14.6143","0.0019","75.204","0.004","77.352","0.004","85.49","0.004","1561.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 B2 N2 S3 -","- C33 H42 B2 N2 S3 -","- C66 H84 B4 N4 S6 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger","Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes","Chemical Science","2019","","","","","10.1039/C9SC00657E","","","0.71073","MoKα","","0.275","0.2201","","","0.4397","0.4813","","","","","","1.047","","","","has coordinates","214197","2020-10-21","18:00:00",""
"1550762","13.3638","0.0003","34.6037","0.0006","18.3685","0.0004","90","","102.6","0.002","90","","8289.7","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Cl2 Fe N3 O -","- C45 H61 Cl2 Fe N3 O -","- C360 H488 Cl16 Fe8 N24 O8 -","8","2","","Wang, Zheng; Zhang, Randi; Zhang, Wenjuan; Solan, Gregory; Liu, Qingbin; tongling, liang; Sun, Wen Hua","Enhancing thermostability of iron ethylene polymerization catalysts through N,N,N-chelation of doubly fused α,α′-bis(arylimino)-2,3:5,6-bis(hexamethylene)pyridines","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00293F","","","0.71073","MoKα","","0.1373","0.1006","","","0.2461","0.2641","","","","","","1.094","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550763","12.228","0.002","21.82","0.004","16.338","0.003","90","","104.2","0.03","90","","4226","1.4","175.15","","175.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Cl4 Fe2 N3 O -","- C41 H55 Cl4 Fe2 N3 O -","- C164 H220 Cl16 Fe8 N12 O4 -","4","1","","Wang, Zheng; Zhang, Randi; Zhang, Wenjuan; Solan, Gregory; Liu, Qingbin; tongling, liang; Sun, Wen Hua","Enhancing thermostability of iron ethylene polymerization catalysts through N,N,N-chelation of doubly fused α,α′-bis(arylimino)-2,3:5,6-bis(hexamethylene)pyridines","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00293F","","","0.71073","MoKα","","0.0943","0.084","","","0.1395","0.1445","","","","","","1.0385","","","","has coordinates,has disorder","214225","2020-10-21","18:00:00",""
"1550764","12.0614","0.0004","12.0614","0.0004","37.3048","0.0013","90","","90","","90","","5427","0.3","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","JA-58-cristal1","","","- C25.5 H25 B Br3 Cl F2 N2 -","- C25.5 H25 B Br3 Cl F2 N2 -","- C204 H200 B8 Br24 Cl8 F16 N16 -","8","1","","Guerrero-Corella, Andrea; Asenjo-Pascual, Juan; Pawar, Tushar Janardan; Díaz-Tendero, Sergio; Martín-Sómer, Ana; Gómez, Clarisa Villegas; Belmonte-Vázquez, José L.; Ramírez-Ornelas, Diana E.; Peña-Cabrera, Eduardo; Fraile, Alberto; Cruz, David Cruz; Alemán, José","BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions","Chemical Science","2019","","","","","10.1039/C9SC00959K","","","0.71073","MoKα","","0.0816","0.0606","","","0.155","0.172","","","","","","1.067","","","","has coordinates","214232","2020-10-21","18:00:00",""
"1550765","22.497","0.005","31.279","0.006","36.562","0.007","67.29","0.03","79.62","0.03","88","0.03","23328","10","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C185.98 H227.44 Cl2.92 N32 O33 -","- C185.98 H227.44 Cl2.94 N32 O33 -","- C743.92 H909.76 Cl11.76 N128 O132 -","4","2","","Jędrzejewska, Hanna; Szumna, Agnieszka","Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries","Chemical Science","2019","","","","","10.1039/C8SC05455J","","","0.6888","synchrotron","","0.0977","0.0731","","","0.2199","0.2339","","","","","","1.128","","","","has coordinates,has disorder","214233","2020-10-21","18:00:00",""
"1550766","36.06","","35.48","","22.49","","90","","101.5","","90","","28196.3","","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C101 H126.5 Cl1.5 N20 O20.5 -","- C101 H126.5 Cl1.5 N20 O20.5 -","- C808 H1012 Cl12 N160 O164 -","8","2","","Jędrzejewska, Hanna; Szumna, Agnieszka","Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries","Chemical Science","2019","","","","","10.1039/C8SC05455J","","","0.8","synchrotron","","0.1194","0.0986","","","0.2692","0.3023","","","","","","1.139","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1550767","9.2687","0.0009","17.9615","0.0019","8.2589","0.0009","90","","94.185","0.003","90","","1371.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H40 Br4 Cl4 N4 -","- C62 H40 Br4 Cl4 N4 -","- C62 H40 Br4 Cl4 N4 -","1","0.25","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.0834","0.0643","","","0.1837","0.1989","","","","","","1.048","","","","has coordinates,has disorder","214234","2020-10-21","18:00:00",""
"1550768","4.5701","0.0002","30.1408","0.0016","16.5121","0.0008","90","","92.41","0.001","90","","2272.47","0.19","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C120 H72 Br8 N8 -","4","0.5","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.0823","0.043","","","0.0822","0.0971","","","","","","1.023","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550769","11.1353","0.0005","13.5027","0.0007","8.277","0.0004","90","","109.689","0.001","90","","1171.74","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1052","0.0504","","","0.1096","0.1306","","","","","","1.022","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550770","7.0412","0.0007","22.373","0.002","29.798","0.003","90","","90","","90","","4694.2","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C240 H144 Br16 N16 -","8","1","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1431","0.0761","","","0.1015","0.12","","","","","","1.046","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550771","9.2718","0.0016","17.063","0.003","8.0988","0.0014","90","","96.262","0.005","90","","1273.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1714","0.0633","","","0.1034","0.1338","","","","","","1.012","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550772","6.6631","0.0006","15.2297","0.0017","22.431","0.003","90","","96.39","0.009","90","","2262.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","","- C26 H17 Cl F N3 O S -","- C26 H17 Cl F N3 O S -","- C104 H68 Cl4 F4 N12 O4 S4 -","4","1","HB4289","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","IUCrData","2019","4","3","x190359","","10.1107/S2414314619003596","","","0.71073","MoKα","","0.1247","0.0603","","","0.1345","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","214251","2020-10-21","18:00:00",""
"1550773","24.309","0.0011","6.3645","0.0002","31.2582","0.0014","90","","110.597","0.005","90","","4527","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N O5 -","- C14 H22 B N O5 -","- C168 H264 B12 N12 O60 -","12","3","","Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek","A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons","Chemical Science","2019","","","","","10.1039/C9SC00378A","","x-ray","1.54184","CuKα","","0.0909","0.051","","","0.1042","0.1203","","","","","","1.029","","","","has coordinates","214277","2020-10-21","18:00:00",""
"1550774","10.3672","0.0003","10.8231","0.0003","10.9398","0.0004","78.441","0.003","85.514","0.003","63.232","0.003","1073.63","0.07","99.9","0.6","99.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 B N O5 -","- C9 H12 B N O5 -","- C36 H48 B4 N4 O20 -","4","2","","Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek","A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons","Chemical Science","2019","","","","","10.1039/C9SC00378A","","x-ray","1.54184","CuKα","","0.0455","0.0423","","","0.1145","0.119","","","","","","1.027","","","","has coordinates,has disorder","214277","2020-10-21","18:00:00",""
"1550775","9.3307","0.0003","21.4147","0.0008","9.6557","0.0004","90","","109.438","0.004","90","","1819.38","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 B N O6 -","- C7 H10 B N O6 -","- C56 H80 B8 N8 O48 -","8","2","","Lin, Shengjia; Wang, Lucia; Aminoleslami, Negin; Lao, Yanting; Yagel, Chelsea; Sharma, Abhishek","A Modular and Concise Approach to MIDA Acylboronates via Chemoselective Oxidation of Unsymmetrical Geminal Diborylalkanes: Unlocking Access to a Novel Class of Acylborons","Chemical Science","2019","","","","","10.1039/C9SC00378A","","x-ray","1.54184","CuKα","","0.0502","0.0437","","","0.1108","0.1168","","","","","","1.035","","","","has coordinates","214277","2020-10-21","18:00:00",""
"1550776","7.2897","0.0003","23.0144","0.001","25.5674","0.001","90","","90","","90","","4289.4","0.3","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","4437-104","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","1","","Ding, Chunyong; Chen, Hongjin; Liang, Bing; Jiao, Mingkun; Liang, Guang; Zhang, Ao","Biomimetic Synthesis of Natural Product Salviadione and Its Hybrids: Discovery of Tissue-Specific Anti-Inflammatory Agents for Acute Lung Injury","Chemical Science","2019","","","","","10.1039/C9SC00086K","","","1.54178","CuKα","","0.0371","0.0366","","","0.0889","0.0892","","","","","","1.107","","","","has coordinates","214278","2020-10-21","18:00:00",""
"1550777","32.3746","0.0006","8.0807","0.0002","22.6746","0.0006","90","","90","","90","","5931.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","p-py","","- C34 H20.25 N6 O0.12 S4 -","- C34 H20.25 N6 O0.125 S4 -","- C272 H162 N48 O S32 -","8","1","","Li, Mengqi; Chen, Li-Jun; Zhang, Zhipeng; Luo, Qianfu; Yang, Hai-Bo; Tian, He; Zhu, Weihong","Conformer-dependent self-assembly metallacycles with photo-reversible response","Chemical Science","2019","","","","","10.1039/C9SC00757A","","","1.54178","CuKα","","0.0716","0.0537","","","0.1425","0.155","","","","","","1.025","","","","has coordinates","214322","2020-10-21","18:00:00",""
"1550778","10.0319","0.0006","8.6937","0.0006","20.5271","0.001","90","","95.512","0.004","90","","1781.98","0.18","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-(4-fluorophenyl)-2-(phenyldiazenyl)thiazol-5-yl)pyridin-2-amine","","- C20 H14 F N5 S -","- C20 H14 F N5 S -","- C80 H56 F4 N20 S4 -","4","1","","Schehr, Miriam; Ianes, Chiara; Weisner, Jörn; Heintze, Linda; Müller, Matthias P; Pichlo, Christian; Charl, Julia; Brunstein, Elena; Ewert, Julia; Lehr, Marc; Baumann, Ulrich; Rauh, Daniel; Knippschild, Uwe; Peifer, Christian; Herges, Rainer","2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1398","1407","10.1039/c9pp00010k","","","1.54178","CuKα","","0.0615","0.0361","","","0.0811","0.0901","","","","","","0.963","","","","has coordinates","225323","2020-10-21","18:00:00",""
"1550779","9.526","0.0006","10.7198","0.0007","31.5458","0.0018","98.765","0.005","90.68","0.005","106.033","0.006","3055","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C43 H31 N -","- C43 H31 N -","- C172 H124 N4 -","4","2","","Huang, Zengfang; Wang, Runze; Chen, Yali; Liu, Xiaobo; Wang, Ke; Mao, Liucheng; Wang, Ke; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen","A polymerizable aggregation-induced emission dye for fluorescent nanoparticles: synthesis, molecular structure and application in cell imaging","Polymer Chemistry","2019","10","17","2162","","10.1039/C9PY00175A","","x-ray","1.54184","CuKα","","0.0885","0.0843","","","0.295","0.2202","","","","","","1.069","","","","has coordinates","225339","2020-10-21","18:00:00",""
"1550781","11.6422","0.0002","12.1336","0.0002","17.7687","0.0003","76.661","0.001","89.632","0.001","84.551","0.001","2430.98","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H81 As2 Co K5 Mo12 N6 O74 -","- C42 H36 As2 Co K5 Mo12 N6 O74 -","- C42 H36 As2 Co K5 Mo12 N6 O74 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0493","0.0368","","","0.0919","0.1008","","","","","","1.045","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550782","11.6585","0.0005","12.1103","0.0005","17.742","0.0007","76.859","0.002","89.702","0.003","84.663","0.003","2428.46","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H83 As2 K5 Mo12 N6 Ni O75 -","- C42 H36 As2 K5 Mo12 N6 Ni O75 -","- C42 H36 As2 K5 Mo12 N6 Ni O75 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0584","0.0414","","","0.1065","0.1152","","","","","","1.028","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550783","11.7267","0.0012","12.4654","0.0013","18.6945","0.0019","74.384","0.004","85.99","0.004","84.238","0.004","2615.9","0.5","220","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H86 Co Cs4 Mo12 N6 Na2 O78 Te2 -","- C42 H36 Co Cs4 Mo12 N6 Na2 O78 Te2 -","- C42 H36 Co Cs4 Mo12 N6 Na2 O78 Te2 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0418","0.0375","","","0.0956","0.0982","","","","","","1.021","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550784","11.6855","0.0004","12.386","0.0006","18.6191","0.0008","74.699","0.003","85.651","0.003","83.954","0.003","2581.64","0.19","220","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H75 Cs4 K Mo12 N6 O72 Te2 Zn -","- C42 H36 Cs4 K Mo12 N6 O72 Te2 Zn -","- C42 H36 Cs4 K Mo12 N6 O72 Te2 Zn -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0619","0.0508","","","0.134","0.142","","","","","","1.053","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550785","13.8787","0.0003","23.7424","0.0005","15.8044","0.0003","90","","120.032","0.001","90","","4508.6","0.17","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H78 As2 Co2 Mo12 N4 O75 Rb2 -","- C16 H34 As2 Co2 Mo12 N4 O75 Rb2 -","- C32 H68 As4 Co4 Mo24 N8 O150 Rb4 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0644","0.0556","","","0.1483","0.1528","","","","","","1.137","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550786","13.8717","0.0009","23.7484","0.0013","15.8204","0.0009","90","","119.884","0.004","90","","4518.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H82 As2 Mo12 N4 O77 Rb2 Zn2 -","- C16 H34 As2 Mo12 N4 O77 Rb2 Zn2 -","- C32 H68 As4 Mo24 N8 O154 Rb4 Zn4 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0871","0.0753","","","0.1729","0.1779","","","","","","1.189","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550787","11.651","0.003","12.303","0.004","18.63","0.005","74.094","0.012","85.386","0.013","84.132","0.012","2550.9","1.3","220","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H83 Cs4 K Mn Mo12 N6 O76 Te2 -","- C42 H36 Cs4 K Mn Mo12 N6 O76 Te2 -","- C42 H36 Cs4 K Mn Mo12 N6 O76 Te2 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0556","0.0504","","","0.1403","0.1452","","","","","","1.048","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550788","11.6211","0.0005","12.093","0.0005","17.7264","0.0007","76.501","0.001","89.846","0.001","84.725","0.001","2411.63","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H85 As2 K5 Mn Mo12 N6 O76 -","- C42 H36 As2 K5 Mn Mo12 N6 O76 -","- C42 H36 As2 K5 Mn Mo12 N6 O76 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0337","0.029","","","0.074","0.0769","","","","","","0.958","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550789","13.702","0.002","23.542","0.003","15.546","0.002","90","","119.466","0.011","90","","4366","1.1","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16 H71 As2 K2 Mn2 Mo12 N4 Na O72 -","- C16 H34 As2 K2 Mn2 Mo12 N4 Na O72 -","- C32 H68 As4 K4 Mn4 Mo24 N8 Na2 O144 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0579","0.047","","","0.1329","0.1412","","","","","","1.047","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550790","11.6516","0.0011","12.123","0.0012","17.7391","0.0017","76.692","0.002","89.874","0.002","84.635","0.002","2427.2","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H81 As2 K5 Mo12 N6 O74 Zn -","- C42 H36 As2 K5 Mo12 N6 O74 Zn -","- C42 H36 As2 K5 Mo12 N6 O74 Zn -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0699","0.047","","","0.1145","0.1306","","","","","","1.055","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550791","11.686","0.009","12.336","0.01","18.569","0.015","75.76","0.014","86.017","0.013","84.106","0.012","2578","4","220","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H70 Cs4 K2 Mo12 N6 Ni O70 Te2 -","- C42 H36 Cs4 K2 Mo12 N6 Ni O70 Te2 -","- C42 H36 Cs4 K2 Mo12 N6 Ni O70 Te2 -","1","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0687","0.0594","","","0.1661","0.1758","","","","","","1.03","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550792","13.842","0.0004","23.8125","0.0008","14.9785","0.0006","90","","113.996","0.002","90","","4510.4","0.3","293","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C16 H99 As2 Mo12 N4 Na Ni2 O86 Rb2 -","- C16 H34 As2 Mo12 N4 Na Ni2 O86 Rb2 -","- C32 H68 As4 Mo24 N8 Na2 Ni4 O172 Rb4 -","2","0.5","","Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie","Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00094A","","","0.71073","MoKα","","0.0678","0.0481","","","0.0979","0.1056","","","","","","1.066","","","","has coordinates","214347","2020-10-21","18:00:00",""
"1550793","25.436","0.005","15.433","0.003","20.238","0.004","90","","92.993","0.006","90","","7934","3","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C138 H56 N4 Ni S0 Y2 -","- C138 H56 N4 Ni Y2 -","- C552 H224 N16 Ni4 Y8 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.71073","MoKα","","0.143","0.1066","","","0.2841","0.3237","","","","","","1.054","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550794","23.544","0.003","14.4883","0.0018","18.621","0.003","90","","93.714","0.003","90","","6338.5","1.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C140 H56 N4 Ni Y2 -","- C140 H56 N4 Ni Y1.9998 -","- C560 H224 N16 Ni4 Y7.9992 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.6525","synchrotron","","0.1371","0.0966","","","0.254","0.2877","","","","","","1.089","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550795","25.3744","0.0009","15.1207","0.0006","19.8806","0.0008","90","","94.306","0.001","90","","7606.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C128.52 H54.22 N4 Ni S0.59 Y2 -","- C128.53 H54.236 N4 Ni S0.588 Y1.9998 -","- C514.12 H216.944 N16 Ni4 S2.352 Y7.9992 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.82653","synchrotron","","0.1235","0.1156","","","0.2949","0.2991","","","","","","1.135","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550796","23.457","0.0019","14.321","0.0012","18.5441","0.0018","90","","93.976","0.002","90","","6214.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C136 H56 N4 Ni Y2 -","- C136 H56 N4 Ni Y2 -","- C544 H224 N16 Ni4 Y8 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.6525","synchrotron","","0.1242","0.1054","","","0.3037","0.3224","","","","","","1.159","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550797","24.3282","0.0007","17.8364","0.0006","19.1972","0.0006","90","","91.902","0.001","90","","8325.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C130 H44 N4 Ni S0 Y2 -","- C130 H44 N4 Ni Y2.0002 -","- C520 H176 N16 Ni4 Y8.0008 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.6525","synchrotron","","0.1436","0.1308","","","0.3404","0.3515","","","","","","1.015","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550798","25.2629","0.0012","15.557","0.0007","19.4478","0.0009","90","","94.557","0.001","90","","7619.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C118 H44 Cl0 N4 Ni S0 Y2 -","- C118 H44 N4 Ni Y2 -","- C472 H176 N16 Ni4 Y8 -","4","0.5","","Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing","Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution","Chemical Science","2019","","","","","10.1039/C9SC00941H","","","0.71073","MoKα","","0.0841","0.0676","","","0.1794","0.1902","","","","","","1.036","","","","has coordinates,has disorder","214354","2020-10-21","18:00:00",""
"1550799","10.3571","0.0004","12.8862","0.0006","35.6573","0.0014","90","","96.839","0.002","90","","4725.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Br4 N2 O8 Zr2 -","- C38 H56 Br4 N2 O8 Zr2 -","- C152 H224 Br16 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.1106","0.083","","","0.1658","0.1752","","","","","","1.169","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550800","11.3471","0.0002","11.3471","0.0002","16.1552","0.0005","90","","90","","90","","2080.09","0.08","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H32 Cl8 Hf N4 O4 -","- C40 H32 Cl8 Hf N4 O4 -","- C80 H64 Cl16 Hf2 N8 O8 -","2","0.25","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0301","0.0218","","","0.0713","0.0835","","","","","","0.65","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550801","20.4732","0.0006","12.5483","0.0004","13.5794","0.0004","90","","105.461","0.001","90","","3362.36","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl8 N4 O4 Zr -","- C32 H20 Cl8 N4 O4 Zr -","- C128 H80 Cl32 N16 O16 Zr4 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0356","0.0255","","","0.0558","0.0608","","","","","","1.049","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550802","10.4865","0.0003","30.3069","0.0008","19.5427","0.0005","90","","101.042","0.001","90","","6095.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H96 N2 O8 Zr2 -","- C57 H96 N2 O8 Zr2 -","- C228 H384 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0457","0.0344","","","0.1127","0.1255","","","","","","0.954","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550803","11.9424","0.0004","25.805","0.001","11.3456","0.0003","90","","111.279","0.001","90","","3258.04","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br4 Hf N2 O4 -","- C28 H32 Br4 Hf N2 O4 -","- C112 H128 Br16 Hf4 N8 O16 -","4","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.072","0.0379","","","0.0663","0.0747","","","","","","1.013","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550804","26.427","0.003","46.619","0.005","12.8792","0.0011","90","","90","","90","","15867","3","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H28 Cl8 N4 O4 Zr -","- C40 H28 Cl8 N4 O4 Zr -","- C640 H448 Cl128 N64 O64 Zr16 -","16","1","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0691","0.0455","","","0.101","0.1134","","","","","","1.024","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1550805","7.6952","0.0005","12.1964","0.0008","19.5655","0.0012","90","","97.259","0.003","90","","1821.6","0.2","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sb2-20","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Bete, Sarah C.; Würtele, Christian; Otte, Matthias","A bio-inspired imidazole-functionalised copper cage complex","Chemical Communications","2019","55","30","4427","4430","10.1039/C9CC00437H","","","0.71073","MoKα","","0.0687","0.0494","","","0.1078","0.1173","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550806","15.9483","0.0012","18.9098","0.0017","20.1274","0.0015","93.485","0.002","110.627","0.003","109.075","0.002","5261.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","sbe1-01-05","","","- C110 H128 Cu F6 N12 O2 Sb -","- C110 H128 Cu F6 N12 O2 Sb -","- C220 H256 Cu2 F12 N24 O4 Sb2 -","2","1","","Bete, Sarah C.; Würtele, Christian; Otte, Matthias","A bio-inspired imidazole-functionalised copper cage complex","Chemical Communications","2019","55","30","4427","4430","10.1039/C9CC00437H","","","0.71073","MoKα","","0.112","0.086","","","0.2108","0.2336","","","","","","1.064","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550807","8.2739","0.0012","20.681","0.004","8.5913","0.0011","90","","104.937","0.012","90","","1420.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","N-(4-cyanophenyl)-carbazole","N-(4-cyanophenyl)-carbazole","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.077","0.043","","","0.095","0.115","","","","","","1.046","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550808","16.718","0.004","4.726","0.001","19.164","0.004","90","","95.969","0.007","90","","1505.9","0.6","287","2","287.12","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DCNPhCz","5-(9H-carbazol-9-yl)isophthalonitrile","","- C20 H11 N3 -","- C20 H11 N3 -","- C80 H44 N12 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.1982","0.0835","","","0.1315","0.171","","","","","","1.03","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550809","10.231","0.003","16.032","0.004","8.461","0.002","90","","93.9","0.006","90","","1384.6","0.6","100","2","100.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mPhCzN","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","x-ray","0.71073","MoKα","","0.0996","0.0602","","","0.1347","0.1576","","","","","","1.042","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550810","41.374","0.007","3.9588","0.0007","17.309","0.003","90","","111.876","0.004","90","","2630.9","0.8","100","2","99.99","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MCNPhCz","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","x-ray","0.71073","MoKα","","0.0715","0.0527","","","0.1353","0.1474","","","","","","1.055","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550811","14.753","0.003","24.611","0.004","8.0508","0.0013","90","","90","","90","","2923.1","0.9","294","2","294.54","","","","","","","","","3","I b a 2","I 2 -2c","45","scnphcz","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.099","0.0612","","","0.1327","0.1511","","","","","","1.065","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550812","7.5601","0.0002","12.4079","0.0004","13.3682","0.0005","103.016","0.001","97.653","0.001","104.81","0.001","1156.72","0.07","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Br Mn N O3 Se2 -","- C21 H23 Br Mn N O3 Se2 -","- C42 H46 Br2 Mn2 N2 O6 Se4 -","2","1","","Amorim, André L; Peterle, Marcos M.; Guerreiro, Ana; Coimbra, Daniel F.; Heying, Renata S.; Caramori, Giovani F.; Braga, Antonio L.; Bortoluzzi, Adailton J.; Neves, Ademir; Bernardes, Gonçalo J L; Peralta, Rosely A.","Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5574","5584","10.1039/c9dt00616h","","","0.71073","MoKα","","0.0547","0.0421","","","0.0892","0.0968","","","","","","1.092","","","","has coordinates","224096","2020-10-21","18:00:00",""
"1550813","8.0565","0.0002","20.5626","0.0005","12.9929","0.0003","90","","94.492","0.001","90","","2145.83","0.09","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br Mn N O3 Se2 -","- C19 H19 Br Mn N O3 Se2 -","- C76 H76 Br4 Mn4 N4 O12 Se8 -","4","1","","Amorim, André L; Peterle, Marcos M.; Guerreiro, Ana; Coimbra, Daniel F.; Heying, Renata S.; Caramori, Giovani F.; Braga, Antonio L.; Bortoluzzi, Adailton J.; Neves, Ademir; Bernardes, Gonçalo J L; Peralta, Rosely A.","Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5574","5584","10.1039/c9dt00616h","","","0.71073","MoKα","","0.0548","0.0375","","","0.0812","0.0881","","","","","","1.038","","","","has coordinates","224096","2020-10-21","18:00:00",""
"1550814","7.9129","0.0003","20.3755","0.0008","13.0456","0.0005","90","","94.87","0.001","90","","2095.74","0.14","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br Mn N O3 S2 -","- C19 H19 Br Mn N O3 S2 -","- C76 H76 Br4 Mn4 N4 O12 S8 -","4","1","","Amorim, André L; Peterle, Marcos M.; Guerreiro, Ana; Coimbra, Daniel F.; Heying, Renata S.; Caramori, Giovani F.; Braga, Antonio L.; Bortoluzzi, Adailton J.; Neves, Ademir; Bernardes, Gonçalo J L; Peralta, Rosely A.","Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5574","5584","10.1039/c9dt00616h","","","0.71073","MoKα","","0.0733","0.0418","","","0.0788","0.0884","","","","","","1.044","","","","has coordinates","224096","2020-10-21","18:00:00",""
"1550815","5.7205","0.0001","19.9636","0.0003","21.5679","0.0003","90","","90","","90","","2463.09","0.07","120.3","0.8","120.3","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N2 O2 S -","- C30 H30 N2 O2 S -","- C120 H120 N8 O8 S4 -","4","1","","Yao, Wei-Wei; Li, Ran; Li, Jiang-Fei; Sun, Juan; Ye, Mengchun","NHC ligand-enabled Ni-catalyzed reductive coupling of alkynes and imines using isopropanol as a reductant","Green Chemistry","2019","21","9","2240","","10.1039/C9GC00653B","","x-ray","1.54184","CuKα","","0.0492","0.0466","","","0.1137","0.115","","","","","","1.032","","","","has coordinates,has disorder","224626","2020-10-21","18:00:00",""
"1550816","16.1495","0.0007","12.7748","0.0005","16.1233","0.0007","90","","111.003","0.002","90","","3105.3","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N3 O S2 -","- C16 H15 N3 O S2 -","- C128 H120 N24 O8 S16 -","8","1","","Chattopadhyay, Pabitra; Ahmmed, Ejaj; Lohar, Somenath; Ghatak, Sumanta Kumar; HIRA, SUMIT Kumar; Manna, Partha Pratim","Development of a reaction based turn-on fluorosensor and biomarker selective for hypochlorite ion in aqueous medium","Analytical Methods","2019","","","","","10.1039/C9AY00325H","","","0.71073","MoKα","","0.0739","0.0579","","","0.1717","0.1969","","","","","","1.407","","","","has coordinates","214415","2020-10-21","18:00:00",""
"1550817","20.2607","0.0002","20.6711","0.0002","26.2425","0.0003","109.714","0.001","100.1","0.001","109.009","0.001","9266.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C194 H412 Ag84 O90 S42 W14 -","- C194 H412 Ag84 O90 S42 W14 -","- C194 H412 Ag84 O90 S42 W14 -","1","0.5","","Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster","Chemical Science","2019","10","18","4862","4867","10.1039/C8SC05666H","","x-ray","0.71073","MoKα","","0.0637","0.0578","","","0.1548","0.1596","","","","","","1.041","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550818","21.5617","0.0011","22.2473","0.001","24.5285","0.0013","74.1307","0.0013","70.9758","0.0013","68.5642","0.0017","10193.5","0.9","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C246 H370 Ag84 O88 S42 W14 -","- C246 H370 Ag84 O88 S42 W14 -","- C246 H370 Ag84 O88 S42 W14 -","1","0.5","","Wang, Zhi; Sun, Hao-Tian; Kurmoo, Mohamedally; Liu, Qing-Yun; Zhuang, Gui-Lin; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di","Carboxylic acid stimulated silver shell isomerism in a triple core–shell Ag <sub>84</sub> nanocluster","Chemical Science","2019","10","18","4862","4867","10.1039/C8SC05666H","","","0.68877","","","0.0975","0.0752","","","0.169","0.1919","","","","","","1.027","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550819","7.5364","0.0003","20.5621","0.0011","11.4782","0.0005","90","","94.877","0.004","90","","1772.27","0.14","295.3","0.4","295.3","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Li, Qing-Zhu; Zhang, Xiang; Xie, Ke; Dai, Qing-Song; Zeng, Rong; Liu, Yan-Qing; Jia, Zhi-Qiang; Feng, Xin; Li, Jun-Long","Diastereodivergent synthesis of cyclopropanes via on-water [2 + 1] annulations of diazo compounds with electron-deficient alkenes","Green Chemistry","2019","21","9","2375","","10.1039/C9GC00278B","","x-ray","1.54184","CuKα","","0.0739","0.0568","","","0.1572","0.1776","","","","","","1.025","","","","has coordinates,has disorder","224625","2020-10-21","18:00:00",""
"1550820","13.6825","0.001","10.7919","0.0005","14.7575","0.0012","90","","108.476","0.008","90","","2066.8","0.3","293.06","0.1","293.06","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Li, Qing-Zhu; Zhang, Xiang; Xie, Ke; Dai, Qing-Song; Zeng, Rong; Liu, Yan-Qing; Jia, Zhi-Qiang; Feng, Xin; Li, Jun-Long","Diastereodivergent synthesis of cyclopropanes via on-water [2 + 1] annulations of diazo compounds with electron-deficient alkenes","Green Chemistry","2019","21","9","2375","","10.1039/C9GC00278B","","x-ray","1.54184","CuKα","","0.0817","0.0709","","","0.1951","0.215","","","","","","1.034","","","","has coordinates","224625","2020-10-21","18:00:00",""
"1550821","10.4191","0.0005","11.0485","0.0005","13.1357","0.0005","87.451","0.002","81.029","0.001","75.138","0.002","1443.64","0.11","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H74 O4 -","- C72 H74 O4 -","- C72 H74 O4 -","1","0.5","","Kapf, Andreas; Eslahi, Hassan; Blanke, Meik; Saccone, Marco; Giese, Michael; Albrecht, Marcel","Alkyloxy modified pyrene fluorophores with tunable photophysical and crystalline properties","New Journal of Chemistry","2019","43","16","6361","","10.1039/C9NJ00652D","","","0.71073","MoKα","","0.0993","0.0493","","","0.1139","0.1407","","","","","","1.004","","","","has coordinates","224843","2020-10-21","18:00:00",""
"1550822","9.701","0.003","12.944","0.004","17.212","0.005","76.316","0.009","80.633","0.008","74.795","0.009","2014.7","1.1","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H122 O4 -","- C96 H122 O4 -","- C96 H122 O4 -","1","0.5","","Kapf, Andreas; Eslahi, Hassan; Blanke, Meik; Saccone, Marco; Giese, Michael; Albrecht, Marcel","Alkyloxy modified pyrene fluorophores with tunable photophysical and crystalline properties","New Journal of Chemistry","2019","43","16","6361","","10.1039/C9NJ00652D","","","0.71073","MoKα","","0.2736","0.07","","","0.1197","0.1838","","","","","","0.86","","","","has coordinates,has disorder","224843","2020-10-21","18:00:00",""
"1550823","7.92","0.006","9.03","0.004","10.77","0.002","90","","90","","90","","770.2","0.7","100","","100","","","","","","","","","7","P m m a","-P 2a 2a","51","","Hydroxylammonium lead iodide","","- C6 H20 I3 N O3 Pb S -","- C6 H20 I3 N O3 Pb S -","- C12 H40 I6 N2 O6 Pb2 S2 -","2","0.25","","D'Annibale, Andrea; Panetta, Riccardo; Tarquini, Ombretta; Colapietro, Marcello; Quaranta, Simone; Cassetta, Alberto; Barba, Luisa; Chita, Giuseppe; Latini, Alessandro","Synthesis, physico-chemical characterization and structure of the elusive hydroxylammonium lead iodide perovskite NH<sub>3</sub>OHPbI<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5397","5407","10.1039/c9dt00690g","","","0.7","Synchrotron","","0.0413","0.0394","","","0.1239","0.1259","","","","","","1.151","","","","has coordinates,has disorder","224191","2020-10-21","18:00:00",""
"1550824","8.559","0.004","24.701","0.009","17.801","0.008","90","","90","","90","","3763","3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 N3 O4 -","- C22 H17.5 N3 O4 -","- C176 H140 N24 O32 -","8","4","","Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.","A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1512","1525","10.1039/c9pp00114j","","","0.71073","MoKα","","0.1612","0.0788","","0.2611","0.1789","0.2595","","","","","","0.94","","","","has coordinates","225321","2020-10-21","18:00:00",""
"1550825","26.093","0.012","11.611","0.005","14.522","0.005","90","","106.229","0.014","90","","4224","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3.54 H3.69 Cu0.15 N0.46 O0.92 -","- C3.53846 H3.69231 Cu0.153846 N0.461538 O0.923077 -","- C184 H192 Cu8 N24 O48 -","52","6.5","","Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.","A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","6","1512","1525","10.1039/c9pp00114j","","","0.71073","MoKα","","0.1357","0.0773","","0.236","0.1771","0.236","","","","","","0.8427","","","","has coordinates","225321","2020-10-21","18:00:00",""
"1550826","12.7636","0.0003","13.1274","0.0003","14.2142","0.0003","81.027","0.002","74.327","0.002","61.269","0.001","2009.81","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Cy-3Amide-7","","- C40 H34 Cl3 N3 O9 -","- C40 H34 Cl3 N3 O9 -","- C80 H68 Cl6 N6 O18 -","2","1","","Kielesiński, Łukasz; Morawski, Olaf W.; Sobolewski, Andrzej L.; Gryko, Daniel T.","The synthesis and photophysical properties of tris-coumarins.","Physical chemistry chemical physics : PCCP","2019","21","16","8314","8325","10.1039/c9cp00978g","","","1.54178","CuKα","","0.2579","0.0938","","","0.2177","0.2875","","","","","","1.009","","","","has coordinates,has disorder","225328","2020-10-21","18:00:00",""
"1550827","9.867","0.0009","9.867","0.0009","36.735","0.003","90","","90","","120","","3097.3","0.5","100","2","100","2","","","","","","","synthetic","6","R 3 c","R 3 -2""c","161","Stepanovite","Sodium magnesium Iron(iii) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0229","0.0225","","","0.0547","0.0549","","","","","","1.105","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550828","16.9954","0.0012","16.9954","0.0012","12.3838","0.001","90","","90","","120","","3097.8","0.4","293","2","297","","","","101325","","","","synthetic","6","P 3 c 1","P 3 -2""c","158","Stepanovite, hexagonal polzmorph","sodium magnesium iron(III) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","1","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0393","0.0295","","","0.0744","0.0787","","","","","","1.033","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550829","17.0033","0.0011","17.0033","0.0011","12.416","0.0008","90","","90","","120","","3108.7","0.3","100","","100","","","","101325","","","","synthetic","6","P 3 c 1","P 3 -2""c","158","Stepanovite, hexagonal polymorph","sodium magnesium iron(III) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","1","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0409","0.0351","","","0.0851","0.0879","","","","","","1.099","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550830","9.77454","0.00019","9.77454","0.00019","29.794","0.0011","90","","90","","120","","2465.2","0.11","100","2","100","2","","","101325","","","","synthetic","6","R 3","R 3","146","","Sodium magnesium iron(III) oxalate hexahydrate","","- C6 H12 Fe Mg Na O18 -","- C6 H12 Fe Mg Na O18 -","- C36 H72 Fe6 Mg6 Na6 O108 -","6","","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0724","0.0607","","","0.1522","0.1672","","","","","","1.086","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550831","9.756","0.0008","9.756","0.0008","10.117","0.003","90","","90","","120","","833.9","0.3","293","2","293","2","","","101325","","","","synthetic","6","P 3","P 3","143","","Sodium magnesium iron(III) oxalate hexahydrate","","- C6 H12 Fe Mg Na O18 -","- C6 H12 Fe Mg Na O18 -","- C12 H24 Fe2 Mg2 Na2 O36 -","2","0.666667","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0669","0.0576","","","0.1382","0.1475","","","","","","1.084","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550832","5.033","0.005","11.682","0.01","15.433","0.015","96.228","0.019","91.207","0.014","94.27","0.02","899.1","1.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","SJ4201","Ozaki, Koji; Okuno, Tsunehisa","A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2019","4","4","","","10.1107/S2414314619003717","","","0.71075","MoKα","","0.086","0.0582","","","0.1195","0.1356","","","","","","1.051","","","","has coordinates,has Fobs","214472","2020-10-21","18:00:00",""
"1550833","8.0664","0.0004","10.0476","0.0005","12.5229","0.0005","79.554","0.004","81.137","0.004","70.517","0.005","936.17","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","2","SU4171","Hebishy, Ali M.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","IUCrData","2019","4","4","x190378","","10.1107/S241431461900378X","","","1.54184","CuKα","","0.0406","0.0344","","","0.0849","0.0902","","","","","","1.049","","","","has coordinates,has Fobs","214473","2020-10-21","18:00:00",""
"1550834","6.0835","0.0005","9.3137","0.0007","22.9507","0.0017","90","","95.237","0.004","90","","1294.96","0.17","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C56 H68 N4 O8 S4 -","4","1","","Breit, Bernhard; Zhou, Yirong; Nikbakht, Ali -; Bauer, Felix","Rhodium catalyzed cycloisomerization and tandem Diels-Alder reaction for facile access to diverse bicyclic and tricyclic heterocycles","Chemical Science","2019","","","","","10.1039/C9SC00980A","","","0.71073","MoKα","","0.0329","0.0308","","","0.08","0.0814","","","","","","1.081","","","","has coordinates","214479","2020-10-21","18:00:00",""
"1550835","30.444","0.009","6.0806","0.0014","11.172","0.003","90","","95.156","0.014","90","","2059.8","1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl N2 O4 S -","- C23 H21 Cl N2 O4 S -","- C92 H84 Cl4 N8 O16 S4 -","4","1","","Breit, Bernhard; Zhou, Yirong; Nikbakht, Ali -; Bauer, Felix","Rhodium catalyzed cycloisomerization and tandem Diels-Alder reaction for facile access to diverse bicyclic and tricyclic heterocycles","Chemical Science","2019","","","","","10.1039/C9SC00980A","","x-ray","0.71073","MoKα","","0.0477","0.0362","","","0.0864","0.092","","","","","","1.044","","","","has coordinates","214479","2020-10-21","18:00:00",""
"1550836","6.8651","0.0005","19.3795","0.0013","18.327","0.0013","90","","99.218","0.002","90","","2406.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C108 H88 N8 O8 S4 -","4","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Ghorai, Uttam Kumar; Ghosh, Pradyut","Multitasking behaviour of a small organic compound: solid state bright white-light emission, mechanochromism and ratiometric sensing of Al( <scp>iii</scp> ) and pyrophosphate","Chemical Communications","2019","55","35","5127","5130","10.1039/C8CC10258A","","","0.71073","MoKα","","0.0853","0.0669","","","0.1782","0.1858","","","","","","1.219","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550837","10.1957","0.0004","12.2494","0.0005","23.2226","0.001","92.193","0.003","93.573","0.003","106.021","0.003","2777.6","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N4 O2 -","- C32 H40 N4 O2 -","- C128 H160 N16 O8 -","4","4","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.0849","0.0735","","","0.1941","0.2046","","","","","","1.057","","","","has coordinates","214492","2020-10-21","18:00:00",""
"1550838","11.0084","0.0007","12.0389","0.0007","12.2322","0.0008","79.257","0.005","66.321","0.006","78.199","0.005","1443.4","0.17","130","6","130","6","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N4 O2 -","- C34 H44 N4 O2 -","- C68 H88 N8 O4 -","2","1","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","x-ray","0.71073","MoKα","","0.1224","0.0665","","","0.1684","0.1948","","","","","","0.969","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550839","21.0138","0.0012","10.9924","0.0007","26.662","0.0016","90","","97.694","0.005","90","","6103.3","0.6","128","2","128.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H42 N4 O3 -","- C34 H42 N4 O3 -","- C272 H336 N32 O24 -","8","2","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.0857","0.0799","","","0.1927","0.1963","","","","","","1.132","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550840","11.7633","0.0008","12.4781","0.0009","13.0623","0.0009","106.839","0.006","100.035","0.006","93.786","0.006","1793.2","0.2","126","2","126.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 N4 O4 S -","- C39 H46 N4 O4 S -","- C78 H92 N8 O8 S2 -","2","1","","Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao","A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy","Chemical Science","2019","","","","","10.1039/C9SC01284B","","","0.71073","MoKα","","0.1034","0.08","","","0.2216","0.2367","","","","","","1.114","","","","has coordinates,has disorder","214492","2020-10-21","18:00:00",""
"1550841","12.3804","0.0003","7.50396","0.00016","8.4883","0.0002","90","","94.6701","0.0019","90","","785.96","0.03","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 Co N6 O6 Zn2 -","- C8 Co N6 O6 Zn2 -","- C16 Co2 N12 O12 Zn4 -","2","0.5","","Marquez, Carlos; Simonov, Arkadiy; Wharmby, Michael T.; Van Goethem, Cédric; Vankelecom, Ivo F.J.; Bueken, Bart; Krajnc, Andraž; Mali, Gregor; De Vos, Dirk; De Baerdemaeker, Trees","Layered Zn2[Co(CN)6](CH3COO) double metal cyanide: a two-dimensional DMC phase with excellent catalytic performance","Chemical Science","2019","","","","","10.1039/C9SC00527G","powder diffraction","x-ray","0.20738","synchrotron","","","","","","","","","0.0131","0.80719","","","","","","","has coordinates","214493","2020-10-21","18:00:00",""
"1550842","8.3938","0.0004","17.8033","0.0009","25.5129","0.0011","90","","90","","90","","3812.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 Cl Cu F N5 O6 -","- C40 H49 Cl Cu F N5 O6 -","- C160 H196 Cl4 Cu4 F4 N20 O24 -","4","1","","Ude, Ziga; Kavanagh, Kevin; Twamley, Brendan; Pour, Milan; Gathergood, Nicholas; Kellett, Andrew; Marmion, Celine J.","A new class of prophylactic metallo-antibiotic possessing potent anti-cancer and anti-microbial properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8578","8593","10.1039/c9dt00250b","","x-ray","0.71073","MoKα","","0.0593","0.0442","","","0.0862","0.092","","","","","","1.049","","","","has coordinates,has disorder","223794","2020-10-21","18:00:00",""
"1550843","30.3184","0.0013","11.0972","0.0005","8.0354","0.0003","90","","93.127","0.005","90","","2699.5","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","1","HB4290","Anitha, L.; Saritha, S. R.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","IUCrData","2019","4","4","x190436","","10.1107/S241431461900436X","","","0.71073","MoKα","","0.0813","0.052","","","0.1202","0.1351","","","","","","1.064","","","","has coordinates,has Fobs","214504","2020-10-21","18:00:00",""
"1550844","12.8109","0.0013","19.708","0.002","11.4152","0.0012","90","","108.649","0.001","90","","2730.8","0.5","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","","- C24 H18 N4 -","- C24 H18 N4 -","- C144 H108 N24 -","6","3","HB4273","Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","IUCrData","2019","4","4","x190295","","10.1107/S2414314619002955","","","0.71073","MoKα","","0.0545","0.0431","","","0.0982","0.1046","","","","","","1.054","","","","has coordinates,has Fobs","214505","2020-10-21","18:00:00",""
"1550845","16.8114","0.0006","16.8114","0.0006","17.8288","0.0006","90","","90","","90","","5038.8","0.3","153","1","153","1","","","","","","","","4","I 41/a","-I 4ad","88","","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","","- C20 H34 N6 S2 -","- C20 H34 N6 S2 -","- C160 H272 N48 S16 -","8","","TK4057","Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","IUCrData","2019","4","4","x190441","","10.1107/S2414314619004413","","x-ray","0.56083","AgKα","","0.0622","0.0476","","","0.1299","0.1379","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","214506","2020-10-21","18:00:00",""
"1550846","5.9435","0.0003","22.7785","0.0007","15.091","0.0009","90","","124.087","0.008","90","","1692.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","","- C21 H17 N S -","- C21 H17 N S -","- C84 H68 N4 S4 -","4","1","BH4045","Crundwell, Guy; Crundwell, Hugh Ian","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","IUCrData","2019","4","4","x190363","","10.1107/S2414314619003638","","x-ray","0.71073","MoKα","","0.0809","0.0461","","","0.1134","0.1311","","","","","","1.028","","","","has coordinates,has Fobs","214507","2020-10-21","18:00:00",""
"1550847","10.8798","0.0004","11.8215","0.0004","35.5224","0.0013","90","","90.737","0.004","90","","4568.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C232 H192 N16 O16 -","8","2","","Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng","Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.","Nanoscale","2019","11","17","8597","8603","10.1039/c9nr02692d","","","1.54178","CuKα","","0.0842","0.0506","","","0.1293","0.1542","","","","","","1.015","","","","has coordinates","224662","2020-10-21","18:00:00",""
"1550848","16.9323","0.0005","6.6891","0.0001","19.8297","0.0006","90","","111.138","0.004","90","","2094.83","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N2 -","- C27 H20 N2 -","- C108 H80 N8 -","4","1","","Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng","Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.","Nanoscale","2019","11","17","8597","8603","10.1039/c9nr02692d","","","1.54178","CuKα","","0.0524","0.0445","","","0.12","0.1281","","","","","","1.018","","","","has coordinates","224662","2020-10-21","18:00:00",""
"1550849","11.2848","0.0005","12.4618","0.0005","17.9846","0.0008","76.742","0.004","78.065","0.004","83.32","0.004","2402.22","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Br N2 O2 -","- C29 H23 Br N2 O2 -","- C116 H92 Br4 N8 O8 -","4","2","","Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng","Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.","Nanoscale","2019","11","17","8597","8603","10.1039/c9nr02692d","","","1.54178","CuKα","","0.0707","0.0462","","","0.115","0.1322","","","","","","1.014","","","","has coordinates","224662","2020-10-21","18:00:00",""
"1550850","10.8935","0.0009","9.2955","0.0007","20.3854","0.0017","90","","98.385","0.003","90","","2042.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B Cl2 N -","- C20 H31 B Cl2 N -","- C80 H124 B4 Cl8 N4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0586","0.0433","","","0.1022","0.1098","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550851","9.1887","0.0011","11.6671","0.0016","18.914","0.003","78.726","0.005","77.377","0.004","88.791","0.004","1940","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43.5 H67 B N2 -","- C43.5 H67 B N2 -","- C87 H134 B2 N4 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0802","0.0541","","","0.1266","0.1427","","","","","","1.009","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550852","15.725","0.002","10.7595","0.0014","17.237","0.003","90","","117.084","0.006","90","","2596.6","0.7","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B Cl N P -","- C26 H46 B Cl N P -","- C104 H184 B4 Cl4 N4 P4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0712","0.0482","","","0.1096","0.1253","","","","","","1.018","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550853","12.5496","0.0012","16.2449","0.0016","18.6655","0.0018","90","","103.896","0.003","90","","3693.9","0.6","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H55 B Cl N3 -","- C41 H55 B Cl N3 -","- C164 H220 B4 Cl4 N12 -","4","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1154","0.0607","","","0.0933","0.108","","","","","","0.976","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550854","12.9399","0.0013","14.8972","0.0014","21.64","0.002","90","","98.624","0.003","90","","4124.3","0.7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H70 B Cl N2 -","- C47 H70 B Cl N2 -","- C188 H280 B4 Cl4 N8 -","4","0.5","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0746","0.044","","","0.0917","0.1051","","","","","","1.035","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550855","9.5037","0.0005","10.6623","0.0005","14.192","0.0006","109.04","0.002","92.35","0.003","116.165","0.002","1190.8","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H40 B Cl N P -","- C23 H40 B Cl N P -","- C46 H80 B2 Cl2 N2 P2 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.059","0.0417","","","0.1033","0.1114","","","","","","1.062","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550856","9.1055","0.0016","10.5101","0.0019","13.919","0.003","87.33","0.004","88.935","0.004","77.336","0.005","1298.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 B Cl N3 -","- C27 H43 B Cl N3 -","- C54 H86 B2 Cl2 N6 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0814","0.052","","","0.117","0.1337","","","","","","1.024","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550857","11.7584","0.0009","20.9712","0.0015","19.9511","0.0014","90","","90.364","0.004","90","","4919.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 B Li N3 O3 -","- C53 H79 B Li N3 O3 -","- C212 H316 B4 Li4 N12 O12 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1482","0.0701","","","0.1441","0.1695","","","","","","1.024","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550858","22.7921","0.0016","17.8985","0.0011","14.2655","0.0011","90","","105.321","0.002","90","","5612.7","0.7","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 B Cl2 K N S0.5 -","- C21 H34 B Cl2 K N S0.5 -","- C168 H272 B8 Cl16 K8 N8 S4 -","8","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0679","0.0473","","","0.1177","0.1285","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550859","10.8472","0.001","11.1775","0.001","18.8985","0.0016","79.591","0.004","76.738","0.004","71.31","0.004","2098.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H57 B Cl N3 -","- C41 H57 B Cl N3 -","- C82 H114 B2 Cl2 N6 -","2","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0936","0.0561","","","0.1377","0.1566","","","","","","1.034","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550860","16.2908","0.0006","8.818","0.0002","16.4186","0.0006","90","","118.727","0.001","90","","2068.28","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 B Cl3 N -","- C20 H31 B Cl3 N -","- C80 H124 B4 Cl12 N4 -","4","1","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.0354","0.0282","","","0.0642","0.0676","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550861","27.0965","0.0009","11.3646","0.0004","37.7243","0.0013","90","","90.738","0.002","90","","11615.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 B Li N3 O6 -","- C53 H87 B Li N3 O6 -","- C424 H696 B8 Li8 N24 O48 -","8","2","","Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger","Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes","Chemical Science","2019","10","19","5095","5103","10.1039/C9SC01039D","","","0.71073","MoKα","","0.1018","0.0692","","","0.169","0.1913","","","","","","1.022","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550862","28.4326","0.0006","7.33162","0.00012","7.92571","0.00013","90","","90","","90","","1652.17","0.05","293","","293","2","","","","","","","Mechanochemical synthesis","5","P b c n","-P 2n 2ab","60","Ca-Anthranilate trihydrate","","Ca-Anthranilate trihydrate","- C14 H18 Ca N2 O7 -","- C14 H18 Ca N2 O7 -","- C56 H72 Ca4 N8 O28 -","4","0.5","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard","Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6513","6521","10.1039/c9dt00991d","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.213","2.31","","","","","","","has coordinates","224178","2020-10-21","18:00:00",""
"1550863","32.0848","0.0009","7.83242","0.00014","6.87904","0.00015","90","","100.157","0.002","90","","1701.62","0.07","293","","293","2","","","","","","","Mechanochemical synthesis","5","C 1 2 1","C 2y","5","Sr-Anthranilate trihydrate","","Sr-Anthranilate trihydrate","- C14 H18 N2 O7 Sr -","- C14 H18 N2 O7 Sr -","- C56 H72 N8 O28 Sr4 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard","Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6513","6521","10.1039/c9dt00991d","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.162","4.3","","","","","","","has coordinates","224178","2020-10-21","18:00:00",""
"1550864","31.0208","0.0011","12.1669","0.0004","7.822","0.0002","90","","90","","90","","2952.23","0.16","293","","293","2","","","","","","","Mechanochemical synthesis","5","P b c n","-P 2n 2ab","60","","","Ba-Anthranilate monohydrate","- C14 H14 Ba N2 O5 -","- C14 H14 Ba N2 O5 -","- C112 H112 Ba8 N16 O40 -","8","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard","Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6513","6521","10.1039/c9dt00991d","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","","1.863","2.95","","","","","","","has coordinates","224178","2020-10-21","18:00:00",""
"1550866","8.5054","0.0006","20.5271","0.0017","8.664","0.0007","90","","108.304","0.0017","90","","1436.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br N -","- C18 H12 Br N -","- C72 H48 Br4 N4 -","4","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.078","0.0548","","","0.1177","0.1271","","","","","","1.032","","","","has coordinates","214571","2020-10-21","18:00:00",""
"1550867","14.1421","0.0015","5.0957","0.0005","19.509","0.002","90","","100.673","0.002","90","","1381.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br N -","- C18 H12 Br N -","- C72 H48 Br4 N4 -","4","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.0444","0.0414","","","0.1254","0.1346","","","","","","1.025","","","","has coordinates","214571","2020-10-21","18:00:00",""
"1550868","14.9529","0.0014","8.173","0.0008","24.26","0.002","90","","90","","90","","2964.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br2 N -","- C18 H11 Br2 N -","- C144 H88 Br16 N8 -","8","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.0434","0.0386","","","0.0834","0.0853","","","","","","1.214","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550869","16.5906","0.0008","10.646","0.0005","16.1974","0.0009","90","","102.863","0.004","90","","2789","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 Ni O3 P2 -","- C26 H40 N2 Ni O3 P2 -","- C104 H160 N8 Ni4 O12 P8 -","4","1","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0937","0.0502","","","0.1199","0.1512","","","","","","1.037","","","","has coordinates","214572","2020-10-21","18:00:00",""
"1550870","19.069","0.005","11.77","0.003","15.216","0.004","90","","111.157","0.008","90","","3184.9","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N2 Ni O3 P2 -","- C30 H48 N2 Ni O3 P2 -","- C120 H192 N8 Ni4 O12 P8 -","4","1","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0546","0.0462","","","0.1104","0.1188","","","","","","1.161","","","","has coordinates,has disorder","214572","2020-10-21","18:00:00",""
"1550871","13.2521","0.0009","13.1173","0.0008","31.732","0.002","90","","93.841","0.003","90","","5503.6","0.6","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H40 N2 Ni O P2 -","- C26 H40 N2 Ni O P2 -","- C208 H320 N16 Ni8 O8 P16 -","8","2","","Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho","One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas","Chemical Science","2019","","","","","10.1039/C9SC00717B","","","0.71073","MoKα","","0.0511","0.0484","","","0.116","0.1178","","","","","","1.023","","","","has coordinates","214572","2020-10-21","18:00:00",""
"1550872","9.37","0.0019","31.24","0.006","15.94","0.003","90","","91.6","0.03","90","","4664.1","1.6","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N2 P -","- C28 H29 N2 P -","- C224 H232 N16 P8 -","8","4","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0591","0.04","","","0.0702","0.075","","","","","","0.76","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550873","12.359","0.003","13.352","0.003","30.833","0.006","90","","90","","90","","5088","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N4 P2 Rb2 -","- C56 H56 N4 P2 Rb2 -","- C224 H224 N16 P8 Rb8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0439","0.0306","","","0.0573","0.0604","","","","","","1.021","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550874","11.854","0.002","18.092","0.004","12.986","0.003","90","","116.13","0.03","90","","2500.4","1.1","210","","210","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H56 N4 Na2 P2 -","- C56 H56 N4 Na2 P2 -","- C112 H112 N8 Na4 P4 -","2","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.1177","0.0576","","","0.0587","0.0696","","","","","","0.83","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550875","12.481","0.003","13.11","0.003","30.547","0.006","90","","90","","90","","4998.3","1.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 K2 N4 P2 -","- C56 H56 K2 N4 P2 -","- C224 H224 K8 N16 P8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0332","0.0305","","","0.0789","0.0802","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550876","12.7","0.003","12.756","0.003","43.4","0.009","81.58","0.03","88.39","0.03","60.36","0.03","6037","3","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C56 H56 Li2 N4 P2 -","- C56 H56 Li2 N4 P2 -","- C280 H280 Li10 N20 P10 -","5","5","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0594","0.037","","","0.0759","0.0817","","","","","","0.962","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550877","13.693","0.003","17.008","0.003","32.906","0.007","90","","90","","90","","7663","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 Cs3 N6 P3 -","- C84 H84 Cs3 N6 P3 -","- C336 H336 Cs12 N24 P12 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.045","0.0413","","","0.1105","0.113","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550878","18.204","0.004","24.592","0.005","36.283","0.007","90","","89.882","0.004","90","","16243","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C161 H153 N3 O6 -","- C161 H153 N3 O6 -","- C644 H612 N12 O24 -","4","1","","Lv, Lingling; Roberts, Josiah; Xiao, Chengyi; Jia, Zhenmei; Jiang, Wei; Zhang , Guowei; Risko, Chad; Zhang, Lei","Triperyleno[3,3,3]propellane triimides: Achieving a New Generation of Quasi-D3h Symmetric Nanostructures in Organic Electronics","Chemical Science","2019","","","","","10.1039/C9SC00849G","","","0.71073","MoKα","","0.151","0.1194","","","0.3122","0.3459","","","","","","1.382","","","","has coordinates,has disorder","214618","2020-10-21","18:00:00",""
"1550879","10.3403","0.0003","10.3926","0.0003","14.1442","0.0003","78.9928","0.0014","83.6739","0.0015","60.2736","0.0011","1295.45","0.06","300","1","300","1","","","","","","","","4","P -1","-P 1","2","","2-[(<i>tert</i>-Butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","","- C30 H30 O2 Si -","- C30 H30 O2 Si -","- C60 H60 O4 Si2 -","2","1","LH4045","Di Grandi, Martin J.; Taylor, Brett; Corfield, Peter W. R.","The crystal structure of 2-[(<i>tert</i>-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","IUCrData","2019","4","4","x190478","","10.1107/S2414314619004784","","","0.7107","MoKα","","0.0513","0.0434","","","0.1174","0.123","","","","","","1.044","","","","has coordinates,has Fobs","214630","2020-10-21","18:00:00",""
"1550880","8.4771","0.0002","16.0726","0.0004","15.7922","0.0003","90","","103.958","0.001","90","","2088.14","0.08","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","2","SJ4202","Wang, Ruiyao; Aquino, Manuel A.S.","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","IUCrData","2019","4","4","x190494","","10.1107/S2414314619004942","","","0.71073","MoKα","","0.0473","0.0378","","","0.0918","0.0987","","","","","","1.037","","","","has coordinates,has Fobs","214631","2020-10-21","18:00:00",""
"1550881","5.7841","0.0004","12.278","0.0007","11.6933","0.0008","90","","102.57","0.007","90","","810.52","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C20 H11 Br O4 S -","- C20 H11 Br O4 S -","- C40 H22 Br2 O8 S2 -","2","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.0491","0.0347","","","0.0807","0.0887","","","","","","1.037","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550882","8.0446","0.0008","9.3059","0.0009","11.5017","0.0015","106.28","0.01","102.659","0.01","90.396","0.008","804.28","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C20 H11 Br O2 S -","- C20 H11 Br O2 S -","- C40 H22 Br2 O4 S2 -","2","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.1078","0.051","","","0.1194","0.1548","","","","","","1.024","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550883","18.217","0.003","7.6976","0.0008","20.1851","0.0017","90","","98.631","0.011","90","","2798.4","0.6","293","2","293","2","","","","","","","","7","I 1 a 1","I -2ya","9","","Carbon nanotube-ruthenium hybrids towards mild oxidation of sulfides to sulfones: Efficient synthesis of sulfonyl compounds with potential biological aplications.","","- C32 H29 B F2 N2 O S2 -","- C32 H29 B F2 N2 O S2 -","- C128 H116 B4 F8 N8 O4 S8 -","4","1","","Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N.","Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00384C","","x-ray","0.71073","MoKα","","0.1333","0.0736","","","0.1863","0.2429","","","","","","1.013","","","","has coordinates","214635","2020-10-21","18:00:00",""
"1550884","10.8743","0.0002","13.879","0.0003","14.8618","0.0004","92.039","0.002","93.333","0.002","107.553","0.002","2131.63","0.09","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","1","0.5","","Moreno-Pineda, Eufemio; Taran, Gheorghe; Wernsdorfer, Wolfgang; Ruben, Mario","Quantum Tunnelling of the Magnetisation in Single-Molecule Magnet Isotopologue Dimers","Chemical Science","2019","","","","","10.1039/C9SC01062A","","x-ray","0.71073","MoKα","","0.0273","0.0256","","","0.063","0.0645","","","","","","1.087","","","","has coordinates,has disorder","214637","2020-10-21","18:00:00",""
"1550885","10.8671","0.0002","13.8736","0.0003","14.8582","0.0003","91.995","0.002","93.347","0.002","107.53","0.002","2129.2","0.08","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","- C78 H130 Dy2 N4 O14 -","1","0.5","","Moreno-Pineda, Eufemio; Taran, Gheorghe; Wernsdorfer, Wolfgang; Ruben, Mario","Quantum Tunnelling of the Magnetisation in Single-Molecule Magnet Isotopologue Dimers","Chemical Science","2019","","","","","10.1039/C9SC01062A","","x-ray","0.71073","MoKα","","0.0282","0.0241","","","0.061","0.0619","","","","","","1.05","","","","has coordinates,has disorder","214637","2020-10-21","18:00:00",""
"1550886","15.3865","0.0016","6.5658","0.0007","26.361","0.003","90","","90.703","0.003","90","","2662.9","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B F3 N3 O5.5 S Si -","- C18 H32 B F3 N3 O5.5 S Si -","- C72 H128 B4 F12 N12 O22 S4 Si4 -","4","1","","Boknevitz, Katherine; Italia, James S.; Li, Bo; Chatterjee, Abhishek; Liu, Shih-Yuan","Synthesis and Characterization of an Unnatural Boron and Nitrogen-containing Tryptophan Analogue and its Incorporation into Proteins","Chemical Science","2019","","","","","10.1039/C8SC05167D","","","0.71073","MoKα","","0.0829","0.0524","","","0.1414","0.1538","","","","","","1.092","","","","has coordinates,has disorder","214638","2020-10-21","18:00:00",""
"1550887","18.512","0.005","18.686","0.005","32.097","0.008","90","","91.307","0.003","90","","11100","5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 B F12 Ir N6 P -","- C49 H39 B F12 Ir N6 P -","- C392 H312 B8 F96 Ir8 N48 P8 -","8","2","","Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.","Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors","Chemical Science","2019","","","","","10.1039/C9SC00696F","","","0.71073","MoKα","","0.1109","0.0755","","","0.1999","0.2417","","","","","","1.107","","","","has coordinates,has disorder","214639","2020-10-21","18:00:00",""
"1550888","45.386","0.006","11.4399","0.0014","20.573","0.003","90","","102.781","0.001","90","","10417","2","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 B Cl2 F12 Ir N6 P -","- C51.001 H43.002 B Cl2.002 F12 Ir N6 P -","- C408.008 H344.016 B8 Cl16.016 F96 Ir8 N48 P8 -","8","1","","Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.","Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors","Chemical Science","2019","","","","","10.1039/C9SC00696F","","","0.71073","MoKα","","0.0675","0.0622","","","0.1508","0.1538","","","","","","1.226","","","","has coordinates,has disorder","214639","2020-10-21","18:00:00",""
"1550889","10.868","0.003","14.021","0.003","20.638","0.005","105.005","0.003","92.613","0.003","95.539","0.003","3015.3","1.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C56.5 H46 B Cl3 F12 Ir N6 P -","- C56.5 H46 B Cl3 F12 Ir N6 P -","- C113 H92 B2 Cl6 F24 Ir2 N12 P2 -","2","1","","Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.","Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors","Chemical Science","2019","","","","","10.1039/C9SC00696F","","","0.71073","MoKα","","0.111","0.0839","","","0.2458","0.311","","","","","","1.385","","","","has coordinates,has disorder","214639","2020-10-21","18:00:00",""
"1550890","9.2542","0.0004","10.276","0.0005","12.6302","0.0005","66.49","0.004","85.829","0.004","85.602","0.004","1096.97","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 Cu N5 O8 -","- C18 H25 Cu N5 O8 -","- C36 H50 Cu2 N10 O16 -","2","1","","Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.; Petrova, Margarita I.; Trofimov, Pavel; Mezenov, Yuri A.; Ubyivovk, Evgeniy V.; Lönnecke, Peter; Nominé, Alexandre; Ghanbaja, Jaafar; Belmonte, Thierry; Milichko, Valentin A.","Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal-organic frameworks.","Nanoscale","2019","11","21","10155","10159","10.1039/c9nr02167a","","","0.71073","MoKα","","0.1","0.0629","","","0.1534","0.1757","","","","","","1.033","","","","has coordinates,has disorder","224667","2020-10-21","18:00:00",""
"1550891","15.5944","0.0003","15.2643","0.0003","15.7761","0.0004","90","","90.224","0.002","90","","3755.28","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N10 O10 -","- C32 H44 Cu N10 O10 -","- C128 H176 Cu4 N40 O40 -","4","1","","Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.; Petrova, Margarita I.; Trofimov, Pavel; Mezenov, Yuri A.; Ubyivovk, Evgeniy V.; Lönnecke, Peter; Nominé, Alexandre; Ghanbaja, Jaafar; Belmonte, Thierry; Milichko, Valentin A.","Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal-organic frameworks.","Nanoscale","2019","11","21","10155","10159","10.1039/c9nr02167a","","x-ray","0.71073","MoKα","","0.1042","0.0632","","","0.1511","0.1655","","","","","","1.155","","","","has coordinates","224667","2020-10-21","18:00:00",""
"1550892","29.408","0.002","9.1919","0.0006","15.9885","0.0011","90","","121.592","0.0012","90","","3681.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Br2 N2 Ni -","- C42 H36 Br2 N2 Ni -","- C168 H144 Br8 N8 Ni4 -","4","0.5","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.0499","0.0354","","","0.0915","0.0984","","","","","","0.979","","","","has coordinates","225343","2020-10-21","18:00:00",""
"1550893","14.876","0.0012","16.4609","0.0014","20.3155","0.0017","98.53","0.002","99.278","0.002","116.092","0.001","4272.3","0.6","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H37.5 Cl1.5 N2 Pd -","- C50.5 H37.5 Cl1.5 N2 Pd -","- C202 H150 Cl6 N8 Pd4 -","4","2","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.0829","0.0611","","","0.1638","0.1798","","","","","","1.115","","","","has coordinates","225343","2020-10-21","18:00:00",""
"1550894","10.8539","0.0006","25.0242","0.0015","15.6817","0.0009","90","","100.3","0.001","90","","4190.7","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H37 Br2 N2 Ni -","- C50 H37 Br2 N2 Ni -","- C200 H148 Br8 N8 Ni4 -","4","1","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.0748","0.0431","","","0.0936","0.1043","","","","","","0.911","","","","has coordinates","225343","2020-10-21","18:00:00",""
"1550895","22.26","","22.2598","0.0005","25.7392","0.0005","90","","90","","90","","12753.9","0.4","185","2","185","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H63 Cl N2 O12 Pd -","- C55 H63 Cl N2 O12 Pd -","- C440 H504 Cl8 N16 O96 Pd8 -","8","1","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.1528","0.0641","","","0.1572","0.1894","","","","","","0.976","","","","has coordinates,has disorder","225343","2020-10-21","18:00:00",""
"1550896","6.4849","0.0003","14.7539","0.0007","8.3224","0.0004","90","","97.295","0.0013","90","","789.82","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,3-diammonium molybdate","","- C3 H12 Mo N2 O4 -","- C3 H12 Mo N2 O4 -","- C12 H48 Mo4 N8 O16 -","4","1","WM4103","Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Propane-1,3-diammonium molybdate","IUCrData","2019","4","4","","","10.1107/S2414314619005005","","x-ray","0.71073","MoKα","","0.0164","0.016","","","0.0403","0.0405","","","","","","1.111","","","","has coordinates,has Fobs","214654","2020-10-21","18:00:00",""
"1550897","28.044","0.003","10.4184","0.0009","24.335","0.003","90","","94.793","0.009","90","","7085.2","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Cr2 Dy2 N6 O18 -","- C72 H78 Cr2 Dy2 N6 O18 -","- C288 H312 Cr8 Dy8 N24 O72 -","4","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","","0.71073","MoKα","","0.0911","0.0431","","","0.0804","0.0899","","","","","","0.863","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550898","11.1952","0.0002","13.2472","0.0003","14.6071","0.0003","111.771","0.002","93.386","0.002","110.092","0.002","1845.67","0.08","180","2","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H83 Dy2 Mn2 N5 O20 -","- C72 H83 Dy2 Mn2 N5 O20 -","- C72 H83 Dy2 Mn2 N5 O20 -","1","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","x-ray","1.54184","CuKα","","0.0282","0.0254","","","0.063","0.0648","","","","","","1.037","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550899","27.5982","0.0003","10.68","0.0002","24.4179","0.0003","90","","94.202","0.001","90","","7177.8","0.18","150","2","149.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Dy0.18 N6 O18 Y1.82 -","- C72 H78 Al2 Dy0.18 N6 O18 Y1.82 -","- C288 H312 Al8 Dy0.72 N24 O72 Y7.28 -","4","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","x-ray","1.54184","CuKα","","0.0322","0.0287","","","0.071","0.0735","","","","","","1.042","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550900","28.1143","0.0003","10.5198","0.0002","24.3898","0.0003","90","","94.794","0.001","90","","7188.21","0.18","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Cr2 N6 O18 Y2 -","- C72 H78 Cr2 N6 O18 Y2 -","- C288 H312 Cr8 N24 O72 Y8 -","4","0.5","","Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.","Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?","Chemical Science","2019","","","","","10.1039/C8SC05362F","","x-ray","1.54184","CuKα","","0.0322","0.0269","","","0.0692","0.0732","","","","","","1.06","","","","has coordinates,has disorder","214658","2020-10-21","18:00:00",""
"1550901","14.0303","0.0019","23.979","0.004","7.3735","0.0011","90","","94.442","0.004","90","","2473.2","0.6","123","","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","0.5","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes","Chemical Science","2019","","","","","10.1039/C9SC00334G","","","0.71075","MoKα","","0.0413","0.0337","","","0.0872","0.0913","","","","","","1.027","","","","has coordinates","214672","2020-10-21","18:00:00",""
"1550902","8.9305","0.0002","16.0425","0.0003","18.2272","0.0003","90","","101.302","0.0019","90","","2560.73","0.09","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 -","- C38 H26 -","- C152 H104 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes","Chemical Science","2019","","","","","10.1039/C9SC00334G","","","0.71073","MoKα","","0.0371","0.0318","","","0.0814","0.0847","","","","","","1.041","","","","has coordinates","214672","2020-10-21","18:00:00",""
"1550903","14.5697","0.0002","14.7169","0.0002","23.758","0.0004","92.522","0.001","105.129","0.002","116.309","0.002","4332.56","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C101.5 H73.5 Cl7 O0.5 P4 Pd2 -","- C101.5 H73.5 Cl7 O0.5 P4 Pd2 -","- C203 H147 Cl14 O P8 Pd4 -","2","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Sterically Hindered 4,5-Diarylphenanthrenes via Acid-catalyzed Bisannulation of Benzenediacetaldehydes with Alkynes","Chemical Science","2019","","","","","10.1039/C9SC00334G","","","0.71073","MoKα","","0.0513","0.0389","","","0.0989","0.1053","","","","","","1.029","","","","has coordinates,has disorder","214672","2020-10-21","18:00:00",""
"1550904","13.841","0.0008","13.841","0.0008","8.7594","0.0006","90","","90","","90","","1678.07","0.18","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C16 H16 Cu I N6 -","- C16 H16 Cu I N6 -","- C64 H64 Cu4 I4 N24 -","4","0.5","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0484","0.0458","","","0.1091","0.1101","","","","","","1.256","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550905","10.2612","0.0005","10.7326","0.0006","11.8422","0.0007","106.811","0.003","90.123","0.003","101.77","0.003","1219.59","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0406","0.031","","","0.0602","0.0635","","","","","","1.028","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550906","9.4723","0.0009","10.8047","0.001","10.9194","0.0011","69.009","0.003","64.607","0.003","80.659","0.003","942.53","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cu I N5 -","- C19 H21 Cu I N5 -","- C38 H42 Cu2 I2 N10 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7288","synchrotron","","0.0367","0.0301","","","0.0674","0.0722","","","","","","1.083","","","","has coordinates,has disorder","214673","2020-10-21","18:00:00",""
"1550907","8.3419","0.0005","10.1955","0.0006","13.689","0.0008","76.369","0.002","74.522","0.002","66.57","0.002","1018.4","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Cu2 I2 N6 -","- C17 H18 Cu2 I2 N6 -","- C34 H36 Cu4 I4 N12 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7749","synchrotron","","0.0502","0.0336","","","0.0755","0.0809","","","","","","1.016","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550908","9.3371","0.0005","10.3738","0.0006","10.4214","0.0006","82.819","0.002","81.825","0.002","63.474","0.002","891.83","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Cu I N6 -","- C17 H18 Cu I N6 -","- C34 H36 Cu2 I2 N12 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7293","synchrotron","","0.0359","0.0323","","","0.0741","0.0772","","","","","","1.126","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550909","8.5197","0.0003","9.4963","0.0003","10.5529","0.0004","85.8689","0.0012","77.799","0.0012","71.5887","0.0012","791.78","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cu I N5 -","- C16 H15 Cu I N5 -","- C32 H30 Cu2 I2 N10 -","2","1","","Fang, Yang; Sojdak, Christopher A.; Dey, Gangotri; Teat, Simon; Li, Mingxing; Cotlet, Mircea; Zhu, Kun; Liu, Wei; Wang, Lu; O'Carroll, Deirdre; Li, Jing","Highly Efficient and Very Robust Blue-Excitable Yellow Phosphors Built on Multiple-Stranded One-Dimensional Inorganic-Organic Hybrid Chains","Chemical Science","2019","","","","","10.1039/C9SC00970A","","","0.7288","synchrotron","","0.0257","0.0228","","","0.0483","0.0496","","","","","","1.1","","","","has coordinates","214673","2020-10-21","18:00:00",""
"1550910","14.5603","0.0009","14.7597","0.0009","8.596","0.0005","90","","90.143","0.002","90","","1847.32","0.19","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(bpy)Ni(CH2CF3)2","","- C18 H12 F6 N2 Ni O -","- C18 H12 F6 N2 Ni O -","- C72 H48 F24 N8 Ni4 O4 -","4","0.5","","Yang, Yi; Zhou, Qinghai; Cai, Junjie; Xue, Teng; Liu, Yingle; Jiang, Yan; Su, Yumei; Chung, Lung Wa; Vicic, David A.","Exploiting the Trifluoroethyl Group as a Precatalyst Ligand in Nickel-catalyzed Suzuki-type Alkylations","Chemical Science","2019","","","","","10.1039/C9SC00554D","","","0.71073","MoKα","","0.069","0.0579","","","0.1289","0.1358","","","","","","1.136","","","","has coordinates","214674","2020-10-21","18:00:00",""
"1550911","9.0342","0.0009","14.3895","0.0015","14.5074","0.0015","90","","101.707","0.003","90","","1846.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Huang, Chaofan; Qian, Hui; Zhang, Wanli; Ma, Shengming","Hydroxy Group-Enabled Highly Regio- and Stereo-selective Hydrocarboxylation of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05743E","","","0.71073","MoKα","","0.0765","0.0539","","","0.1472","0.1585","","","","","","1.086","","","","has coordinates","214675","2020-10-21","18:00:00",""
"1550912","7.9579","0.0001","12.9023","0.0002","14.8437","0.0002","90","","90","","90","","1524.08","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Huang, Chaofan; Qian, Hui; Zhang, Wanli; Ma, Shengming","Hydroxy Group-Enabled Highly Regio- and Stereo-selective Hydrocarboxylation of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05743E","","x-ray","1.54184","CuKα","","0.0288","0.0278","","","0.0691","0.0696","","","","","","1.041","","","","has coordinates","214675","2020-10-21","18:00:00",""
"1550913","22.596","0.003","3.8694","0.0005","22.166","0.003","90","","90","","90","","1938","0.4","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","1","","Shiga, Keigo; Gridnev, Ilya D.; Terada, Masahiro; Nakamura, Itaru","Au-Catalyzed Skeletal Rearrangement of O-Propargylic Oximes via N-O Bond Cleavage with the Aid of a Brønsted Base Cocatalyst","Chemical Science","2019","","","","","10.1039/C9SC00501C","","","0.71075","MoKα","","0.0411","0.0366","","","0.083","0.0852","","","","","","1.072","","","","has coordinates","214693","2020-10-21","18:00:00",""
"1550914","11.5029","0.0003","31.8022","0.0009","10.8445","0.0003","90","","113.84","0.002","90","","3628.63","0.18","250","1","250","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","","- C37 H35 Gd O15 -","- C37 H35 Gd O15 -","- C148 H140 Gd4 O60 -","4","1","IM4004","Gasque, Laura; Guzmán-Méndez, Óscar; Bernès, Sylvain","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","IUCrData","2019","4","4","x190493","","10.1107/S2414314619004930","","x-ray","0.56083","AgKα","","0.0534","0.0337","","","0.0723","0.0784","","","","","","1.013","","","","has coordinates,has Fobs","214706","2020-10-21","18:00:00",""
"1550915","17.727","0.004","35.611","0.007","31.733","0.006","90","","90","","90","","20032","7","100","","100","","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C36.25 H63.5 B F4 N9.5 O4 S20 Sn10 -","- C36.25 H62.25 B F4 N9.5 O4 S20 Sn10 -","- C290 H498 B8 F32 N76 O32 S160 Sn80 -","8","1","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.1453","0.05","","","0.1279","0.1463","","","","","","0.645","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550916","16.4857","0.0003","16.4857","0.0003","54.2335","0.0015","90","","90","","120","","12764.8","0.5","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C40 H96 Mn4 N6 O6 Se17 Sn4 -","- C39.9999 H95.9997 Mn4 N6 O6 Se16.9999 Sn4 -","- C239.999 H575.998 Mn24 N36 O36 Se101.999 Sn24 -","6","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0815","0.0552","","","0.1474","0.1578","","","","","","1.035","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550917","27.248","0.003","27.248","0.003","27.248","0.003","90","","90","","90","","20230","4","100","","100","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- O4 S20 Sn10 -","- O4 S20 Sn10 -","- O32 S160 Sn80 -","8","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0887","0.0543","","","0.1127","0.1205","","","","","","1.036","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550918","73.616","0.0017","73.616","0.0017","73.616","0.0017","90","","90","","90","","398948","16","100","2","100","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- O4 S20 Sn10 -","- O4 S20 Sn10 -","- O544 S2720 Sn1360 -","136","","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.0942","0.0353","","","0.0582","0.0609","","","","","","0.643","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550919","18.9995","0.0007","18.9995","0.0007","31.8469","0.0013","90","","90","","120","","9955.9","0.7","100","","100","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H9 O4 S20 Sn10 -","- C3 H9 O4 S20 Sn10 -","- C12 H36 O16 S80 Sn40 -","4","0.166667","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.1119","0.0632","","","0.1921","0.2127","","","","","","0.833","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550920","13.1046","0.0005","21.8727","0.001","27.9377","0.0012","79.966","0.004","79.823","0.003","84.995","0.003","7748.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32.79 H59.71 N8 O4 S20 Sn10 -","- C32.7916 H59.7081 N8 O4 S20 Sn10 -","- C131.166 H238.833 N32 O16 S80 Sn40 -","4","2","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54178","CuKα","","0.1336","0.1157","","","0.3359","0.362","","","","","","1.403","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550921","29.1874","0.0004","29.1874","0.0004","57.5222","0.0014","90","","90","","90","","49003.4","1.5","100","","100","","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C5 H9.33 N1.33 O4 S20 Sn10 -","- C5 H9.33333 N1.33333 O4 S20 Sn10 -","- C120 H224 N32 O96 S480 Sn240 -","24","1.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","1.54186","CuKα","","0.0757","0.065","","","0.1687","0.1776","","","","","","1","","","","has coordinates","214716","2020-10-21","18:00:00",""
"1550922","10.0647","0.0014","11.591","0.002","21.309","0.003","75.961","0.005","83.155","0.004","83.555","0.005","2385.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H120 Hg6 N12 Te12 -","- C62 H119.976 Hg6 N12 Te12 -","- C62 H119.976 Hg6 N12 Te12 -","1","0.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0793","0.0599","","","0.1398","0.1451","","","","","","1.11","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550923","10.0664","0.0008","11.5576","0.0009","24.55","0.002","89.172","0.003","85.585","0.003","83.936","0.002","2831.8","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H144 Hg6 N12 Te12 -","- C74 H144 Hg6 N12 Te12 -","- C74 H144 Hg6 N12 Te12 -","1","0.5","","Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal","Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles","Chemical Science","2019","","","","","10.1039/C9SC01358J","","","0.71073","MoKα","","0.0804","0.0499","","","0.1187","0.1292","","","","","","1.067","","","","has coordinates,has disorder","214716","2020-10-21","18:00:00",""
"1550924","13.6264","0.0005","30.4112","0.0012","14.0126","0.0005","90","","100.631","0.002","90","","5707.1","0.4","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","cage-tfa","","- C45 H30 F9 N6 O6 -","- C45 H30 F9 N6 O6 -","- C180 H120 F36 N24 O24 -","4","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.1155","0.1063","","","0.3529","0.368","","","","","","1.644","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550925","13.902","0.0014","19.595","0.002","25.262","0.002","83.509","0.008","84.344","0.008","85.297","0.008","6786.7","1.1","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","cage-pf6","","- C86 H72 F36 N16 P6 -","- C86 H72 F36 N16 P6 -","- C172 H144 F72 N32 P12 -","2","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.2601","0.2253","","","0.5065","0.5309","","","","","","2.011","","","","has coordinates","214725","2020-10-21","18:00:00",""
"1550926","27.3248","0.0015","42.161","0.003","24.16","0.0016","90","","90","","90","","27833","3","100","2","100.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","AzaEx2Cage-Pycho","","- C114 H83 Br0.5 F33 N13 O2 P5.5 -","- C114 H83 Br0.5 F33 N13 O2 P5.5 -","- C912 H664 Br4 F264 N104 O16 P44 -","8","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.54178","CuKα","","0.2586","0.1608","","","0.3936","0.4438","","","","","","1.245","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550927","13.9039","0.0005","22.9522","0.0009","23.8176","0.0009","82.666","0.002","84.915","0.002","85.037","0.002","7487.2","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H115 F36 N13 O9 P6 -","- C144 H115 F36 N13 O9 P6 -","- C288 H230 F72 N26 O18 P12 -","2","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.34139","GaKα","","0.1841","0.1575","","","0.4366","0.4621","","","","","","1.911","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550928","13.6331","0.0005","20.6544","0.0008","24.9241","0.001","72.715","0.003","85.475","0.003","81.308","0.002","6620","0.5","170","2","169.98","","","","","","","","","6","P -1","-P 1","2","","","","- C99 H92 F36 N16 O5 P6 -","- C99 H92 F36 N16 O5 P6 -","- C198 H184 F72 N32 O10 P12 -","2","1","","Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao","Guest recognition enhanced by lateral interactions","Chemical Science","2019","","","","","10.1039/C9SC00591A","","","1.34139","GaKα","","0.1782","0.1278","","","0.3777","0.41","","","","","","1.456","","","","has coordinates,has disorder","214725","2020-10-21","18:00:00",""
"1550929","14.2569","0.0006","10.862","0.0004","18.207","0.0007","90","","98.826","0.0008","90","","2786.12","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Si2 Ti -","- C29 H42 Si2 Ti -","- C116 H168 Si8 Ti4 -","4","1","","Reiß, Fabian; Reiß, Melanie; Bresien, Jonas; Spannenberg, Anke; Jiao, Haijun; Baumann, Wolfgang; Arndt, Perdita; Beweries, Torsten","1-Titanacyclobuta-2,3-diene ‒ an Elusive Four-membered Cyclic Allene","Chemical Science","2019","","","","","10.1039/C9SC01002E","","","0.71073","MoKα","","0.0443","0.034","","","0.0857","0.0934","","","","","","1.013","","","","has coordinates,has disorder","214726","2020-10-21","18:00:00",""
"1550930","11.485","0.002","9.6273","0.0019","19.737","0.004","90","","101.59","0.03","90","","2137.8","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Si2 -","- C22 H28 Si2 -","- C88 H112 Si8 -","4","1","","Reiß, Fabian; Reiß, Melanie; Bresien, Jonas; Spannenberg, Anke; Jiao, Haijun; Baumann, Wolfgang; Arndt, Perdita; Beweries, Torsten","1-Titanacyclobuta-2,3-diene ‒ an Elusive Four-membered Cyclic Allene","Chemical Science","2019","","","","","10.1039/C9SC01002E","","","0.71073","MoKα","","0.0617","0.0338","","","0.0805","0.0852","","","","","","0.814","","","","has coordinates","214726","2020-10-21","18:00:00",""
"1550931","9.1113","0.0004","14.2082","0.0007","19.2241","0.0008","90","","95.41","0.002","90","","2477.57","0.19","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F4 N2 S2 -","- C27 H21 B F4 N2 S2 -","- C108 H84 B4 F16 N8 S8 -","4","1","","Baggi, Giorgio; Casimiro, Lorenzo; Baroncini, Massimo; Silvi, Serena; Credi, Alberto; Loeb, Stephen J.","Threading-gated photochromism in [2]pseudorotaxanes","Chemical Science","2019","","","","","10.1039/C9SC00913B","","","0.71073","MoKα","","0.0676","0.0467","","","0.1024","0.113","","","","","","1.064","","","","has coordinates,has disorder","214727","2020-10-21","18:00:00",""
"1550932","8.0211","0.0004","11.5905","0.0006","20.2484","0.0011","93.738","0.002","92.017","0.002","103.011","0.002","1827.82","0.17","130","2","130.01","","","","","","","","","7","P -1","-P 1","2","","","","- C18.5 H21.5 B0.5 F2 N O2 S -","- C18.5 H21.5 B0.5 F2 N O2 S -","- C74 H86 B2 F8 N4 O8 S4 -","4","2","","Baggi, Giorgio; Casimiro, Lorenzo; Baroncini, Massimo; Silvi, Serena; Credi, Alberto; Loeb, Stephen J.","Threading-gated photochromism in [2]pseudorotaxanes","Chemical Science","2019","","","","","10.1039/C9SC00913B","","","0.71073","MoKα","","0.0627","0.0488","","","0.1176","0.1281","","","","","","1.042","","","","has coordinates,has disorder","214727","2020-10-21","18:00:00",""
"1550933","13.2818","0.0006","19.8213","0.0008","20.1065","0.0009","90","","93.248","0.002","90","","5284.8","0.4","173","2","173.21","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 B F4 N2 O9 S2 -","- C55 H63 B F4 N2 O9 S2 -","- C220 H252 B4 F16 N8 O36 S8 -","4","1","","Baggi, Giorgio; Casimiro, Lorenzo; Baroncini, Massimo; Silvi, Serena; Credi, Alberto; Loeb, Stephen J.","Threading-gated photochromism in [2]pseudorotaxanes","Chemical Science","2019","","","","","10.1039/C9SC00913B","","","0.71073","MoKα","","0.11","0.0836","","","0.2057","0.2252","","","","","","1.16","","","","has coordinates,has disorder","214727","2020-10-21","18:00:00",""
"1550934","17.8492","0.0009","10.6328","0.0006","43.5137","0.0019","90","","96.227","0.002","90","","8209.6","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cl2 Ir2 N4 O4 Si4 -","- C32 H48 Cl2 Ir2 N4 O4 Si4 -","- C256 H384 Cl16 Ir16 N32 O32 Si32 -","8","1","","Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J","Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02353K","","","0.71073","MoKα","","0.0574","0.0325","","","0.0676","0.0773","","","","","","0.898","","","","has coordinates","214748","2020-10-21","18:00:00",""
"1550935","11.4358","0.0006","13.0237","0.0007","17.6415","0.0009","90.226","0.001","106.899","0.001","101.886","0.001","2454.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 F6 Ir2 N4 O8.5 Si4 -","- C38 H53 F6 Ir2 N4 O8.5 Si4 -","- C76 H106 F12 Ir4 N8 O17 Si8 -","2","1","","Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J","Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02353K","","","0.71073","MoKα","","0.0365","0.0276","","","0.0583","0.0625","","","","","","1.036","","","","has coordinates,has disorder","214748","2020-10-21","18:00:00",""
"1550936","26.0817","0.0016","20.662","0.0012","19.7728","0.0011","90","","125.502","0.002","90","","8674.6","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Br4 La N7 O5 -","- C42 H32 Br4 La N7 O5 -","- C336 H256 Br32 La8 N56 O40 -","8","1","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71076","MoKα","","0.0703","0.0405","","","0.0784","0.0889","","","","","","1.023","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550937","29.5503","0.0011","29.9584","0.0012","16.0497","0.0006","90","","90","","90","","14208.5","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Ho N5 O5 -","- C32 H24 Br4 Ho N5 O5 -","- C512 H384 Br64 Ho16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1372","0.0546","","","0.0767","0.0951","","","","","","1.037","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550938","29.587","0.003","29.91","0.003","15.986","0.0018","90","","90","","90","","14147","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Lu N5 O5 -","- C32 H24 Br4 Lu N5 O5 -","- C512 H384 Br64 Lu16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1374","0.0731","","","0.1615","0.1922","","","","","","1.082","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550939","13.5152","0.0007","17.1668","0.0008","16.0298","0.0008","90","","105.757","0.002","90","","3579.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br4 Ho N5 O7 -","- C32 H24 Br4 Ho N5 O7 -","- C128 H96 Br16 Ho4 N20 O28 -","4","1","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71076","MoKα","","0.1234","0.0809","","","0.2148","0.2324","","","","","","1.15","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550940","9.7421","0.0004","16.9016","0.0006","25.0742","0.0009","72.958","0.001","85.719","0.001","74.795","0.001","3809.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Br4 N5 O6 Sm -","- C31 H24 Br4 N5 O6 Sm -","- C124 H96 Br16 N20 O24 Sm4 -","4","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1039","0.0479","","","0.0897","0.1048","","","","","","1.022","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550941","14.6208","0.0002","10.5924","0.0001","15.2131","0.0002","90","","108.231","0.002","90","","2237.78","0.05","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Mn2 N6 O8 -","- C18 H16 Mn2 N6 O8 -","- C72 H64 Mn8 N24 O32 -","4","0.5","","Pinto, Mara F.; Olivares, Marta; Vivancos, Angela; Guisado Barrios, Gregorio; Albrecht, Martin; Royo, Beatriz","(Di)Triazolylidene Manganese Complexes in Catalytic Oxidation of Alcohols to Ketones and Aldehydes","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00685K","","x-ray","0.71073","MoKα","","0.029","0.0249","","","0.0619","0.0648","","","","","","1.077","","","","has coordinates","214766","2020-10-21","18:00:00",""
"1550942","13.206","0.0004","14.1214","0.0004","14.4666","0.0005","74.949","0.003","83.485","0.003","69.462","0.003","2438.95","0.14","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C66 H47 N5 O2 -","- C66 H47 N5 O2 -","- C132 H94 N10 O4 -","2","1","","Donabauer, Karsten; Maity, Mitasree; Berger, Anna Lucia; Huff, Gregory S.; Crespi, Stefano; König, Burkhard","Photocatalytic carbanion generation ‒ benzylation of aliphatic aldehydes to secondary alcohols","Chemical Science","2019","","","","","10.1039/C9SC01356C","","x-ray","1.54184","CuKα","","0.0528","0.0436","","","0.1087","0.1162","","","","","","1.024","","","","has coordinates","214773","2020-10-21","18:00:00",""
"1550943","14.366","0.003","7.9689","0.0017","30.185","0.006","90","","100.386","0.006","90","","3399","1.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Cl4 N13 -","- C29 H37 Cl4 N13 -","- C116 H148 Cl16 N52 -","4","1","","Audebert, Pierre; Allain, Clemence; Galmiche, Laurent; Guillot, Régis; Le, Tuan","Renewing accessible heptazine chemistry; 2,5,8-tris(3,5-diethyl-pyrazolyl)-heptazine, a new highly soluble heptazine derivative with exchangeable groups, and examples of new derived heptazines with their physical chemistry.","Chemical Science","2019","","","","","10.1039/C9SC00665F","","x-ray","0.71073","MoKα","","0.1687","0.0906","","","0.1971","0.212","","","","","","1.084","","","","has coordinates","214774","2020-10-21","18:00:00",""
"1550944","13.991","0.005","17.18","0.005","17.219","0.005","117.591","0.005","103.404","0.005","92.633","0.005","3511.4","1.9","","","295","2","","","","","","","","5","P -1","-P 1","2","","4CzDPDPO2A","","- C72 H46 N4 O2 P2 -","- C72 H46 N4 O2 P2 -","- C144 H92 N8 O4 P4 -","2","1","","Xu, Hui; Gao, Feifei; Du, Ruiming; Han, Chunmiao; Zhang, Jing; Wei, Ying; Lu, Guang","High-Efficiency Blue Thermally Activated Delayed Fluorescence from Donor-Acceptor-Donor Systems via Through-Space Conjugation Effect","Chemical Science","2019","","","","","10.1039/C9SC01240K","","","","","","0.142","","","","","","","","","","","","","","","has coordinates","214775","2020-10-21","18:00:00",""
"1550945","24.2914","0.0017","14.3317","0.001","7.5014","0.0005","90","","90","","90","","2611.5","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","","","- C34 H24 Br2 Fe -","- C34 H24 Br2 Fe -","- C136 H96 Br8 Fe4 -","4","1","HB4292","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","IUCrData","2019","4","4","x190487","","10.1107/S2414314619004875","","","0.71073","MoKα","","0.0637","0.0461","","","0.0954","0.1033","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","214796","2020-10-21","18:00:00",""
"1550946","10.8596","0.001","15.1262","0.001","7.904","0.0003","90","","103.749","0.01","90","","1261.14","0.16","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dichloro-3',4'-dimethoxybiphenyl","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C56 H48 Cl8 O8 -","4","1","SJ4203","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3,5-Dichloro-3',4'-dimethoxybiphenyl","IUCrData","2019","4","4","x190518","","10.1107/S2414314619005182","","","0.71073","MoKα","","0.0376","0.0298","","","0.0694","0.0721","","","","","","1.09","","","","has coordinates,has Fobs","214797","2020-10-21","18:00:00",""
"1550947","25.236","0.002","15.0375","0.0014","19.8277","0.0019","90","","94.385","0.001","90","","7502.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Eu@C2(5)-C82 Ni(OEP) 2(C6H6)","Eu@C2(5)-C82 Ni(OEP) 2(C6H6)","","- C130 H56 Eu N4 Ni -","- C130 H56 Eu0.9999 N4 Ni -","- C520 H224 Eu3.9996 N16 Ni4 -","4","0.5","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.1018","0.0873","","","0.2504","0.2663","","","","","","1.036","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550948","25.3346","0.0008","15.1339","0.0005","19.9751","0.0006","90","","95.659","0.001","90","","7621.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Eu@C2(13)-C80 Ni(OEP)","Eu@C2(13)-C80 Ni(OEP)","","- C130.05 H53.66 Eu N4 Ni S0.78 -","- C130.05 H53.66 Eu1.0002 N4 Ni S0.78 -","- C520.2 H214.64 Eu4.0008 N16 Ni4 S3.12 -","4","0.5","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.0945","0.0871","","","0.2217","0.2284","","","","","","1.049","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550949","22.3565","0.0008","11.4569","0.0004","27.656","0.001","90","","112.819","0.001","90","","6529.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Eu@C2(13)-C84-W","Eu@C2(13)-C84-W","","- C114 H24 Eu O3 P2 S2 W -","- C114 H24 Eu O3 P2 S2 W -","- C456 H96 Eu4 O12 P8 S8 W4 -","4","1","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.079","0.0592","","","0.1508","0.1609","","","","","","1.062","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550950","22.367","0.002","11.2378","0.001","27.52","0.003","90","","112.042","0.001","90","","6411.7","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Eu@C2(5)-C82-W","Eu@C2(5)-C82-W","","- C112 H24 Eu O3 P2 S2 W -","- C112 H24 Eu O3 P2 S2 W -","- C448 H96 Eu4 O12 P8 S8 W4 -","4","1","","Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan","Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer","Chemical Science","2019","","","","","10.1039/C9SC01479A","","","0.6525","synchrotron","","0.048","0.0448","","","0.1207","0.1248","","","","","","1.042","","","","has coordinates,has disorder","214802","2020-10-21","18:00:00",""
"1550951","19.752","0.0006","8.4978","0.00019","34.8959","0.0007","90","","101.384","0.0008","90","","5742","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 N2 Ru2 -","- C32 H46 N2 Ru2 -","- C256 H368 N16 Ru16 -","8","1","","Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru","Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site","Faraday Discussions","2019","","","","","10.1039/C9FD00029A","","","0.71069","MoKα","","0.0268","0.0224","","","0.0486","0.0504","","","","","","1.064","","","","has coordinates","214812","2020-10-21","18:00:00",""
"1550952","10.3925","0.0004","11.225","0.0005","17.5502","0.0008","86.627","0.002","86.435","0.001","63.919","0.001","1834.17","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 F6 N3 Ru2 -","- C37 H47 F6 N3 Ru2 -","- C74 H94 F12 N6 Ru4 -","2","1","","Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru","Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site","Faraday Discussions","2019","","","","","10.1039/C9FD00029A","","","0.71069","MoKα","","0.0356","0.0312","","","0.0779","0.081","","","","","","1.026","","","","has coordinates","214812","2020-10-21","18:00:00",""
"1550953","21.875","0.003","17.503","0.002","16.448","0.002","90","","112.87","0.008","90","","5802.5","1.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 N2 Ru2 -","- C32 H42 N2 Ru2 -","- C256 H336 N16 Ru16 -","8","1","","Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru","Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site","Faraday Discussions","2019","","","","","10.1039/C9FD00029A","","","0.71069","MoKα","","0.1146","0.0537","","","0.1018","0.123","","","","","","0.956","","","","has coordinates","214812","2020-10-21","18:00:00",""
"1550954","16.0588","0.0004","19.8061","0.0004","10.6735","0.0002","90","","90","","90","","3394.84","0.13","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H48 N2 O4 Ru2 -","- C36 H48 N2 O4 Ru2 -","- C144 H192 N8 O16 Ru8 -","4","0.5","","Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru","Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site","Faraday Discussions","2019","","","","","10.1039/C9FD00029A","","","0.71069","MoKα","","0.0242","0.0228","","","0.0581","0.0589","","","","","","1.08","","","","has coordinates,has disorder","214812","2020-10-21","18:00:00",""
"1550955","10.8926","0.0009","16.1224","0.0014","16.4294","0.0012","89.244","0.002","78.917","0.002","77.643","0.002","2764.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N2 Ru2 -","- C32 H40 N2 Ru2 -","- C128 H160 N8 Ru8 -","4","2","","Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru","Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site","Faraday Discussions","2019","","","","","10.1039/C9FD00029A","","","0.71069","MoKα","","0.1312","0.0821","","","0.1807","0.2146","","","","","","0.967","","","","has coordinates","214812","2020-10-21","18:00:00",""
"1550956","9.6931","0.0005","13.6493","0.0008","20.0677","0.0012","82.98","0.002","76.463","0.002","73.318","0.002","2468.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H64 Cl4 O2 P6 Ru2 S2 -","- C33 H64 Cl4 O2 P6 Ru2 S2 -","- C66 H128 Cl8 O4 P12 Ru4 S4 -","2","1","","Brewster II, James T.; Root, Harrison Duane; Mangel, Daniel; Zafar, Hadiqa; Samia, Adam; Sedgwick, Adam C.; Lynch, Vincent; Sessler, Jonathan L.","UO22±Mediated Ring Contraction of Pyrihexaphyrin: Synthesis of a Contracted Expanded Porphyrin-Uranyl Complex","Chemical Science","2019","","","","","10.1039/C9SC01593K","","","0.71073","MoKα","","0.1082","0.0464","","","0.0595","0.0703","","","","","","1.004","","","","has coordinates,has disorder","214863","2020-10-21","18:00:00",""
"1550957","11.466","0.0003","14.7143","0.0004","27.0626","0.0005","90","","100.58","0.002","90","","4488.22","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl6 N6 O2 U -","- C44 H48 Cl6 N6 O2 U -","- C176 H192 Cl24 N24 O8 U4 -","4","1","","Brewster II, James T.; Root, Harrison Duane; Mangel, Daniel; Zafar, Hadiqa; Samia, Adam; Sedgwick, Adam C.; Lynch, Vincent; Sessler, Jonathan L.","UO22±Mediated Ring Contraction of Pyrihexaphyrin: Synthesis of a Contracted Expanded Porphyrin-Uranyl Complex","Chemical Science","2019","","","","","10.1039/C9SC01593K","","","1.54184","CuKα","","0.0538","0.0432","","","0.1072","0.1157","","","","","","1.026","","","","has coordinates","214863","2020-10-21","18:00:00",""
"1550958","11.753","0.006","6.281","0.003","13.273","0.006","90","","101.939","0.009","90","","958.6","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H15 Br F5 N O2 -","- C19 H15 Br F5 N O2 -","- C38 H30 Br2 F10 N2 O4 -","2","1","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0376","0.0343","","","0.0617","0.0626","","","","","","0.697","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550959","9.2685","0.0013","17.886","0.003","21.589","0.003","90","","90","","90","","3578.9","0.9","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F3 N O2 -","- C18 H15 Br F3 N O2 -","- C144 H120 Br8 F24 N8 O16 -","8","2","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0614","0.04","","","0.0655","0.0704","","","","","","0.83","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550960","13.6483","0.0015","16.5846","0.0018","23.807","0.003","90","","90","","90","","5388.8","1.1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F9 N O2 -","- C26 H19 Br F9 N O2 -","- C208 H152 Br8 F72 N8 O16 -","8","2","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0635","0.0404","","","0.0719","0.0784","","","","","","0.861","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550961","10.5086","0.0004","12.016","0.0004","27.2839","0.0011","90","","90","","90","","3445.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo","A visible-light mediated three-component radical process using dithiocarbamate anion catalysis","Chemical Science","2019","","","","","10.1039/C9SC00833K","","","0.71073","MoKα","","0.0564","0.0422","","","0.1126","0.1208","","","","","","1.078","","","","has coordinates,has disorder","214865","2020-10-21","18:00:00",""
"1550962","11.0914","0.0004","13.6412","0.0004","11.9739","0.0004","90","","113.863","0.004","90","","1656.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","NK4001","Forsyth, Craig M.; Nazarian, Zohreh","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","IUCrData","2019","4","4","x190520","","10.1107/S2414314619005200","","","1.54184","CuKα","","0.0379","0.0348","","","0.0859","0.0882","","","","","","1.053","","","","has coordinates,has Fobs","214882","2020-10-21","18:00:00",""
"1550963","17.1343","0.0002","10.09453","0.00012","15.428","0.0002","90","","92.6644","0.0012","90","","2665.58","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","2","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","","1.54184","CuKα","","0.0433","0.0389","","","0.0977","0.1005","","","","","","1.039","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1550964","7.1973","0.0016","11.006","0.003","16.413","0.004","90","","90","","90","","1300.1","0.6","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","","0.71075","MoKα","","","0.0668","","","","0.1419","","","","","","0.999","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1550965","12.3214","0.0012","8.4434","0.0008","20.5045","0.0017","90","","99.133","0.008","90","","2106.1","0.3","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O2.5 -","- C25 H27 N3 O2 -","- C100 H108 N12 O8 -","4","2","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","x-ray","0.71073","MoKα","","0.1865","0.0875","","","0.2126","0.2969","","","","","","1.064","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1550966","12.2226","0.0004","24.7501","0.0008","12.0798","0.0004","90","","102.123","0.002","90","","3572.8","0.2","235","","235","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Ag5 F3 N2 O2 S4 -","- C25 H42 Ag5 F3 N2 O2 S4 -","- C100 H168 Ag20 F12 N8 O8 S16 -","4","1","","Li, Yuan; Lu, Shu-Han; Zhao, Rui-dun; Lu, Zhi-Xiang; Liu, Xiao-Lan; Qin, Yu; Yang, Shao-Xiong; Zheng, Li-Yan; Cao, Qiu-e","A stable 1D helical silver coordination polymer with red emission","Polymer Chemistry","2019","10","21","2653","","10.1039/C9PY00362B","","","1.54178","CuKα","","0.0893","0.0582","","","0.1224","0.1364","","","","","","1.066","","","","has coordinates","225347","2020-10-21","18:00:00",""
"1550967","16.51","0.007","10.817","0.005","24.396","0.01","90","","99.031","0.011","90","","4303","3","200","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Moris558b (Mingyuan Li)","","","- C46 H61 N3 O P Pd -","- C46 H61 N3 O P Pd -","- C184 H244 N12 O4 P4 Pd4 -","4","1","","Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.","Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand","Polymer Chemistry","2019","10","21","2741","","10.1039/C9PY00176J","","","0.71073","MoKα","","0.067","0.0441","","","0.0869","0.0763","","","","","","0.985","","","","has coordinates","225348","2020-10-21","18:00:00",""
"1550968","11.1555","0.0012","13.2102","0.0014","21.891","0.002","75.266","0.002","86.56","0.002","88.068","0.002","3113.7","0.6","200","2","296.15","","","","","","","","","6","P -1","-P 1","2","Moris565b (Mingyuan Li)","","","- C79 H64 Cl2 N3 O Pd -","- C79 H64 Cl2 N3 O Pd -","- C158 H128 Cl4 N6 O2 Pd2 -","2","1","","Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.","Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand","Polymer Chemistry","2019","10","21","2741","","10.1039/C9PY00176J","","","0.71073","MoKα","","0.0908","0.0547","","","0.1368","0.1556","","","","","","1.048","","","","has coordinates","225348","2020-10-21","18:00:00",""
"1550969","13.5869","0.0009","14.2487","0.001","19.0045","0.0013","104.632","0.001","90.537","0.001","111.587","0.001","3288.7","0.4","200","2","200.15","","","","","","","","","7","P -1","-P 1","2","Moris563b (Mingyuan Li)","","","- C32 H42 Cl2 N3 O P Pd -","- C32 H42 Cl2 N3 O P Pd -","- C128 H168 Cl8 N12 O4 P4 Pd4 -","4","2","","Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.","Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand","Polymer Chemistry","2019","10","21","2741","","10.1039/C9PY00176J","","","0.71073","MoKα","","0.0411","0.0294","","","0.0685","0.0733","","","","","","1.003","","","","has coordinates","225348","2020-10-21","18:00:00",""
"1550970","10.1398","0.0005","10.8359","0.0006","11.2588","0.0005","90","","115.687","0.003","90","","1114.8","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~4~-bis(2-methyllactato)borato]sodium]","","- C8 H12 B Na O6 -","- C8 H12 B Na O6 -","- C32 H48 B4 Na4 O24 -","4","1","WM4104","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Sodium bis(2-methyllactato)borate","IUCrData","2019","4","5","","","10.1107/S2414314619005935","","","0.71073","MoKα","","0.0534","0.0349","","","0.0828","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","214942","2020-10-21","18:00:00",""
"1550971","16.163","0.0005","16.163","","16.4362","0.0006","90","","90","","90","","4293.8","0.2","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C46.03 H70.75 B2 N5 Zn -","- C46.026 H70.744 B2 N5 Zn -","- C184.104 H282.976 B8 N20 Zn4 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0785","0.0509","","","0.1257","0.14","","","","","","1.03","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550972","16.0995","0.0005","16.0995","0.0005","16.3816","0.0005","90","","90","","90","","4246","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C47.24 H72.13 B2 Fe N5 -","- C47.244 H72.136 B2 Fe N5 -","- C188.976 H288.544 B8 Fe4 N20 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0733","0.0561","","","0.1482","0.1651","","","","","","1.004","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550973","13.8891","0.0004","17.2913","0.0006","19.1228","0.0007","90","","94.835","0.002","90","","4576.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H77 B2 Fe N5 O2 -","- C46 H77 B2 Fe N5 O2 -","- C184 H308 B8 Fe4 N20 O8 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.06","0.0484","","","0.1252","0.1322","","","","","","1.058","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550974","10.989","0.006","12.928","0.006","24.431","0.011","92.678","0.016","91.124","0.018","114.185","0.016","3160","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H98 B2 Fe N5 O3 P2 -","- C65 H98 B2 Fe N5 O3 P2 -","- C130 H196 B4 Fe2 N10 O6 P4 -","2","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.2633","0.1288","","","0.3444","0.4225","","","","","","1.176","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550975","23.8853","0.001","11.6376","0.0005","19.0401","0.0008","90","","110.826","0.0016","90","","4946.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B2 Fe N5 S2 -","- C53 H73 B2 Fe N5 S2 -","- C212 H292 B8 Fe4 N20 S8 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0891","0.0497","","","0.1253","0.1413","","","","","","1.061","","","","has coordinates","214979","2020-10-21","18:00:00",""
"1550976","14.7395","0.0008","31.7053","0.0018","22.0966","0.0013","90","","90.451","0.002","90","","10325.9","1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C89.49 H132.99 B4 Cl6.99 Fe2 N14 -","- C89.493 H132.986 B4 Cl6.986 Fe2 N14 -","- C357.972 H531.944 B16 Cl27.944 Fe8 N56 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0697","0.0627","","","0.1346","0.14","","","","","","1.125","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550977","12.0303","0.0005","11.0429","0.0004","22.8724","0.0009","90","","94.3767","0.0015","90","","3029.7","0.2","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C65 H99 B2 Fe N7 O3 -","- C65 H99 B2 Fe N7 O3 -","- C130 H198 B4 Fe2 N14 O6 -","2","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0714","0.0518","","","0.1204","0.1365","","","","","","1.067","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550978","26.45","0.002","26.45","0.002","20.941","0.0019","90","","90","","90","","14650","2","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C187.23 H315.27 B8 Fe4 K4 N20 O11.62 -","- C187.232 H315.272 B8 Fe4 K4 N20 O11.616 -","- C374.464 H630.544 B16 Fe8 K8 N40 O23.232 -","2","0.125","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.1321","0.0935","","","0.2427","0.3014","","","","","","1.085","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550979","33.641","0.0007","16.3704","0.0003","27.3584","0.0006","90","","100.166","0.001","90","","14830.2","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C146 H226 B4 Fe K2 N10 O20 -","- C146 H226 B4 Fe K2 N10 O20 -","- C584 H904 B16 Fe4 K8 N40 O80 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0755","0.0728","","","0.2145","0.2176","","","","","","1.052","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550980","9.2208","0.001","15.9972","0.0018","25.443","0.003","90","","93.373","0.006","90","","3746.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(butylPDPtBu)Fe(SPh)2","","- C39 H51 Fe N5 S2 -","- C39 H51 Fe N5 S2 -","- C156 H204 Fe4 N20 S8 -","4","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.0915","0.0612","","","0.1607","0.1807","","","","","","1.034","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550981","23.8971","0.001","11.5743","0.0005","19.0415","0.0007","90","","110.444","0.0014","90","","4935","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B2 N5 S2 Zn -","- C53 H73 B2 N5 S2 Zn -","- C212 H292 B8 N20 S8 Zn4 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0496","0.0355","","","0.0864","0.0955","","","","","","1.052","","","","has coordinates","214979","2020-10-21","18:00:00",""
"1550982","16.4289","0.0008","16.4289","0.0008","16.7181","0.001","90","","90","","90","","4512.4","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H73 B2 Cl2 Fe N7 -","- C44.0002 H73 B2 Cl2.0004 Fe N7 -","- C176.001 H292 B8 Cl8.0016 Fe4 N28 -","4","0.5","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.0759","0.0583","","","0.1193","0.1322","","","","","","1.079","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550983","19.503","0.003","21.623","0.003","22.147","0.004","67.321","0.005","71.202","0.005","89.815","0.004","8079","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H101 B2 Fe K N7 O6 -","- C59.009 H101.018 B2 Fe K N7.001 O6.003 -","- C236.036 H404.072 B8 Fe4 K4 N28.004 O24.012 -","4","2","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","0.71073","MoKα","","0.1805","0.1316","","","0.3677","0.4104","","","","","","1.069","","","","has coordinates,has disorder","214979","2020-10-21","18:00:00",""
"1550984","8.8548","0.0004","17.4697","0.0007","17.4739","0.0008","92.316","0.003","99.766","0.002","99.769","0.002","2618.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H79 B2 Fe N7 S2 -","- C53 H79 B2 Fe N7 S2 -","- C106 H158 B4 Fe2 N14 S4 -","2","1","","Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K.","Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides","Chemical Science","2019","","","","","10.1039/C9SC00561G","","","1.54178","CuKα","","0.1355","0.1187","","","0.3033","0.323","","","","","","1.103","","","","has coordinates","214979","2020-10-21","18:00:00",""
"1550985","17.445","0.003","17.445","0.003","22.934","0.005","90","","90","","90","","6979","2","243","2","243","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C56 H44 F12 O40 Zr6 -","- C56 H24 F12 O40 Zr6 -","- C112 H48 F24 O80 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.65","synchrotron","","0.1817","0.105","","","0.2841","0.3324","","","","","","0.977","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550986","11.677","0.002","17.804","0.004","25.696","0.005","90","","90","","90","","5342.1","1.8","298","2","298","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C56 H68 F12 O52 Zr6 -","- C56 H28 F12 O52 Zr6 -","- C112 H56 F24 O104 Zr12 -","2","0.125","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0737","0.0593","","","0.1848","0.1955","","","","","","1.088","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550987","14.955","0.002","14.955","0.002","26.077","0.005","90","","90","","90","","5832.2","1.6","250","2","250","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C64 H42 N2 O40 Zr6 -","- C64 H16 N2 O36 Zr6 -","- C128 H32 N4 O72 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0758","0.0677","","","0.1923","0.1995","","","","","","1.082","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550988","14.839","0.002","14.839","0.002","26.03","0.005","90","","90","","90","","5731.7","1.6","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C64 H34 N2 O36 Zr6 -","- C64 H24 N2 O36 Zr6 -","- C128 H48 N4 O72 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.1242","0.0868","","","0.2613","0.3003","","","","","","1.063","","","","has coordinates","214980","2020-10-21","18:00:00",""
"1550989","17.439","0.003","17.439","0.003","22.592","0.005","90","","90","","90","","6871","2","250","2","250","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C64 H50 O43 Zr6 -","- C64 H29 O43 Zr6 -","- C128 H58 O86 Zr12 -","2","0.125","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0842","0.071","","","0.2047","0.215","","","","","","1.08","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550990","14.872","0.002","14.872","0.002","26.123","0.005","90","","90","","90","","5777.8","1.6","250","2","250","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C64 H38 N2 O32 Zr6 -","- C64 H34 N2 O32 Zr6 -","- C128 H68 N4 O64 Zr12 -","2","0.0625","","Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo","Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations","Chemical Science","2019","","","","","10.1039/C9SC01301F","","","0.7","synchrotron","","0.0758","0.0644","","","0.1924","0.2032","","","","","","1.11","","","","has coordinates,has disorder","214980","2020-10-21","18:00:00",""
"1550991","13.8478","0.0002","18.2868","0.0002","28.8141","0.0002","95.321","0.001","96.59","0.001","92.188","0.001","7208.41","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C141 H188 Br4 Cl10 O8 P4 Pd4 -","- C141 H188 Br4 Cl9.9999 O8 P4 Pd4 -","- C282 H376 Br8 Cl19.9998 O16 P8 Pd8 -","2","1","","Kubota, Koji; Takahashi, Rina; Ito, Hajime","Mechanochemistry allows carrying out sensitive organometallic reactions in air: Glove-box-and-Schlenk-line-free synthesis of oxidative addition complexes from aryl halides and palladium(0)","Chemical Science","2019","","","","","10.1039/C9SC01711A","","x-ray","1.54184","CuKα","","0.0594","0.0538","","","0.1505","0.1539","","","","","","1.095","","","","has coordinates,has disorder","214981","2020-10-21","18:00:00",""
"1550992","15.2045","0.0003","19.1034","0.0003","20.0726","0.0003","90","","91.3424","0.0013","90","","5828.64","0.17","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H80 N10 O2 -","- C66 H80 N10 O2 -","- C264 H320 N40 O8 -","4","1","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.0531","0.0456","","","0.1311","0.1366","","","","","","1.066","","","","has coordinates,has disorder","215020","2020-10-21","18:00:00",""
"1550993","11.2403","0.0002","16.0729","0.0002","17.983","0.0003","90","","91.9104","0.0017","90","","3247.08","0.09","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 Li2 N10 O6 -","- C56 H76 Li2 N10 O6 -","- C112 H152 Li4 N20 O12 -","2","0.5","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.0703","0.0593","","","0.1813","0.1949","","","","","","1.063","","","","has coordinates,has disorder","215020","2020-10-21","18:00:00",""
"1550994","12.4584","0.0012","13.8311","0.0012","16.8496","0.0014","83.132","0.007","89.742","0.007","66.134","0.009","2633","0.4","140.01","0.1","140.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C98 H144 K2 N10 O10 -","- C98 H144 K2 N10 O10 -","- C98 H144 K2 N10 O10 -","1","0.5","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.1591","0.0951","","","0.2621","0.3248","","","","","","0.979","","","","has coordinates,has disorder","215020","2020-10-21","18:00:00",""
"1550995","12.5606","0.0006","14.7631","0.0006","16.2731","0.0008","95.28","0.004","100.912","0.004","98.331","0.004","2909.5","0.2","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H66 N8 -","- C60 H66 N8 -","- C120 H132 N16 -","2","1","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.0723","0.0481","","","0.1261","0.1417","","","","","","0.989","","","","has coordinates","215020","2020-10-21","18:00:00",""
"1550996","12.8101","0.0009","22.708","0.0015","23.9152","0.0016","91.897","0.005","104.054","0.006","98.399","0.006","6659.1","0.8","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C64 H76 N8 O -","- C64 H76 N8 O -","- C256 H304 N32 O4 -","4","2","","Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay","Synthesis of aminyl biradicals by base-induced Csp3‒Csp3 coupling of cationic azo dyes","Chemical Science","2019","","","","","10.1039/C9SC01502G","","x-ray","1.54184","CuKα","","0.1845","0.0764","","","0.1716","0.2388","","","","","","0.92","","","","has coordinates","215020","2020-10-21","18:00:00",""
"1550997","21.3616","0.0017","9.0556","0.0007","15.3872","0.0012","90","","94.439","0.003","90","","2967.6","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 S4 -","- C34 H42 S4 -","- C136 H168 S16 -","4","0.5","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0603","0.0578","","","0.1568","0.1595","","","","","","1.055","","","","has coordinates,has disorder","215021","2020-10-21","18:00:00",""
"1550998","10.1337","0.001","12.5991","0.0013","30.3","0.003","90","","90","","90","","3868.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br2 S2 -","- C20 H24 Br2 S2 -","- C160 H192 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0251","0.0199","","","0.0433","0.0446","","","","","","1.049","","","","has coordinates","215021","2020-10-21","18:00:00",""
"1550999","12.542","0.0006","9.1015","0.0005","28.8047","0.0015","90","","90","","90","","3288.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br2 S2 -","- C15.9992 H19.9986 Br2 S2 -","- C127.994 H159.989 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0184","0.0173","","","0.0405","0.0409","","","","","","1.062","","","","has coordinates,has disorder","215021","2020-10-21","18:00:00",""
"1551000","12.6756","0.0009","13.0518","0.0008","21.4971","0.0015","80.777","0.002","87.931","0.002","73.976","0.002","3374","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tBudmxFe2Mes2","","- C67 H78 Fe2 N4 O -","- C67 H78 Fe2 N4 O -","- C134 H156 Fe4 N8 O2 -","2","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0623","0.0409","","","0.0924","0.1001","","","","","","1.028","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551001","12.7553","0.0007","25.2117","0.0013","17.9429","0.001","90","","92.873","0.001","90","","5762.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tBudmxFe2OCl2Cp2Co","","- C63 H74 Cl2 Co Fe2 N4 O3 -","- C63 H74 Cl2 Co Fe2 N4 O3 -","- C252 H296 Cl8 Co4 Fe8 N16 O12 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0475","0.0328","","","0.0829","0.0872","","","","","","1.011","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551002","19.775","0.002","12.6596","0.0014","18.9582","0.0017","90","","115.027","0.003","90","","4300.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tBudmxFe2O","","- C49 H56 Fe2 N4 O2 -","- C49 H56 Fe2 N4 O2 -","- C196 H224 Fe8 N16 O8 -","4","0.5","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0999","0.0551","","","0.0959","0.1094","","","","","","1.048","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551003","19.2846","0.0013","12.6737","0.0009","26.2797","0.0018","90","","102.879","0.001","90","","6261.4","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[TEA][tBudmxFe2(OH)Cl2]","","- C65 H91 Cl2 Fe2 N5 O4 -","- C65 H93 Cl2 Fe2 N5 O4 -","- C260 H372 Cl8 Fe8 N20 O16 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0612","0.045","","","0.0895","0.0956","","","","","","1.018","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551004","18.8507","0.001","21.166","0.0011","21.1905","0.0011","90","","95.055","0.001","90","","8422","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tBudmxFe2(OH)(thf)2][BPh4]","","- C95 H121 B Fe2 N4 O7.5 -","- C95 H121 B Fe2 N4 O7.5 -","- C380 H484 B4 Fe8 N16 O30 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.0891","0.0542","","","0.1346","0.1511","","","","","","1.017","","","","has coordinates,has disorder","215022","2020-10-21","18:00:00",""
"1551005","19.178","0.003","13.2068","0.0014","20.033","0.003","90","","118.6","","90","","4454.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tBudmxFe2OCl2","","- C49 H56 Cl2 Fe2 N4 O2 -","- C49 H56 Cl2 Fe2 N4 O2 -","- C196 H224 Cl8 Fe8 N16 O8 -","4","0.5","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.1298","0.0717","","","0.1593","0.1862","","","","","","1.027","","","","has coordinates","215022","2020-10-21","18:00:00",""
"1551006","17.416","0.003","15.512","0.002","24.559","0.004","90","","106.397","0.003","90","","6364.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tBudmxFe2OHMesthf","","- C68.09 H91.24 Fe2 N4 O4.53 -","- C68.708 H92.77 Fe2 N4 O4.677 -","- C274.832 H371.08 Fe8 N16 O18.708 -","4","1","","Betley, Theodore; Johnson, Elizabeth J.; Kleinlein, Claudia; Musgrave, Rebecca A.","Diiron Oxo Reactivity in a Weak-Field Environment","Chemical Science","2019","","","","","10.1039/C9SC00605B","","","0.71073","MoKα","","0.2133","0.0836","","","0.1477","0.1915","","","","","","0.981","","","","has coordinates,has disorder","215022","2020-10-21","18:00:00",""
"1551007","13.1945","0.0007","13.5726","0.0007","15.149","0.0008","101.961","0.002","107.748","0.002","90.828","0.002","2518.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","NK-7-165","","","- C52 H62 Au F3 N3 O5.5 S -","- C52 H62 Au F3 N3 O5.5 S -","- C104 H124 Au2 F6 N6 O11 S2 -","2","1","","Widenhoefer, Ross; Kim, Nana","Ionization of Gold (gamma-Methoxy)vinyl Complexes Generates Reactive Gold Vinyl Carbene Complexes","Chemical Science","2019","","","","","10.1039/C9SC01574D","","","0.71073","MoKα","","0.0591","0.0464","","","0.1038","0.11","","","","","","1.067","","","","has coordinates,has disorder","215032","2020-10-21","18:00:00",""
"1551008","13.8289","0.0014","17.3327","0.0017","29.608","0.004","83.044","0.012","80.705","0.009","69.477","0.01","6543.1","1.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H218 B2 F8 Fe N10 O3 -","- C134 H218 B2 F8 Fe N10 O3 -","- C268 H436 B4 F16 Fe2 N20 O6 -","2","1","","Akiyoshi, Ryohei; Hirota, Yuma; Kosumi, Daisuke; Tsutsumi, Mayu; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Ferroelectric metallomesogens composed of achiral spin crossover molecules","Chemical Science","2019","","","","","10.1039/C9SC01229J","","","0.71075","MoKα","","0.2548","0.1571","","","0.3436","0.4289","","","","","","1.14","","","","has coordinates","215033","2020-10-21","18:00:00",""
"1551009","14.063","0.004","17.387","0.004","29.844","0.008","82.385","0.006","82.783","0.007","68.932","0.005","6725","3","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H218 B2 F8 N10 O3 Zn -","- C134 H218 B2 F8 N10 O3 Zn -","- C268 H436 B4 F16 N20 O6 Zn2 -","2","1","","Akiyoshi, Ryohei; Hirota, Yuma; Kosumi, Daisuke; Tsutsumi, Mayu; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Ferroelectric metallomesogens composed of achiral spin crossover molecules","Chemical Science","2019","","","","","10.1039/C9SC01229J","","","1.54187","CuKα","","0.1755","0.123","","","0.3126","0.3473","","","","","","1.066","","","","has coordinates,has disorder","215033","2020-10-21","18:00:00",""
"1551010","10.7724","0.0013","15.7829","0.0012","9.9065","0.0012","90","","116.778","0.015","90","","1503.7","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 F O2 -","- C16 H19 F O2 -","- C64 H76 F4 O8 -","4","1","","Wu, Xiaoyan; Fan, Junjie; Fu, Chunling; Ma, Shengming","Ruthenium(II)-Catalyzed C-H Allenylation-Based Approach to Allenoic Acids","Chemical Science","2019","","","","","10.1039/C9SC00603F","","","0.71073","MoKα","","0.0962","0.0602","","","0.1483","0.1764","","","","","","1.041","","","","has coordinates","215034","2020-10-21","18:00:00",""
"1551011","9.3566","0.0006","9.3566","0.0006","19.436","0.002","90","","90","","120","","1473.6","0.2","93","","93","","","","","","","","","3","P 31","P 31","144","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C84 H60 O6 -","3","1","","Oi, Miku; TAKITA, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu","Organocopper Cross-coupling Reaction for C‒C Bond Formation on Highly Sterically Hindered Structures","Chemical Science","2019","","","","","10.1039/C9SC00891H","","","1.54187","CuKα","","","0.0431","","","","0.0943","","","","","","1.039","","","","has coordinates","215035","2020-10-21","18:00:00",""
"1551012","10.983","0.004","17.28","0.007","22.513","0.007","90","","93.032","0.006","90","","4267","3","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 F6 N4 P Ru -","- C21 H19 F6 N4 P Ru -","- C168 H152 F48 N32 P8 Ru8 -","8","1","","Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki","Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium","Faraday Discussions","2019","","","","","10.1039/C9FD00040B","","","0.71075","MoKα","","0.0361","0.0315","","","0.0822","0.0838","","","","","","1.003","","","","has coordinates","215037","2020-10-21","18:00:00",""
"1551013","10.228","0.003","22.249","0.006","10.582","0.003","90","","115.87","0.004","90","","2166.7","1.1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F6 N4 P Ru -","- C21 H19 F6 N4 P Ru -","- C84 H76 F24 N16 P4 Ru4 -","4","1","","Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki","Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium","Faraday Discussions","2019","","","","","10.1039/C9FD00040B","","","0.71075","MoKα","","0.0618","0.0467","","","0.1188","0.1228","","","","","","0.926","","","","has coordinates","215037","2020-10-21","18:00:00",""
"1551014","12.954","0.005","12.142","0.005","19.276","0.008","90","","95.588","0.007","90","","3017","2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 F6 N4 O P Ru -","- C28 H35 F6 N4 O P Ru -","- C112 H140 F24 N16 O4 P4 Ru4 -","4","1","","Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki","Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium","Faraday Discussions","2019","","","","","10.1039/C9FD00040B","","","0.71075","MoKα","","0.0858","0.0666","","","0.1501","0.1658","","","","","","1.018","","","","has coordinates,has disorder","215037","2020-10-21","18:00:00",""
"1551015","8.3496","0.0013","18.179","0.003","16.009","0.003","90","","99.636","0.003","90","","2395.7","0.7","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B F7 N3 Ru -","- C25 H21 B F7 N3 Ru -","- C100 H84 B4 F28 N12 Ru4 -","4","1","","Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki","Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium","Faraday Discussions","2019","","","","","10.1039/C9FD00040B","","","0.71075","MoKα","","0.0538","0.044","","","0.1114","0.1142","","","","","","0.973","","","","has coordinates,has disorder","215037","2020-10-21","18:00:00",""
"1551016","10.0589","0.0011","16.366","0.0017","19.544","0.002","65.342","0.003","82.687","0.005","81.397","0.005","2883.6","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 F3 N3 O3 Ru S -","- C31 H26 F3 N3 O3 Ru S -","- C124 H104 F12 N12 O12 Ru4 S4 -","4","2","","Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki","Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium","Faraday Discussions","2019","","","","","10.1039/C9FD00040B","","","0.71075","MoKα","","0.0658","0.0469","","","0.1235","0.1274","","","","","","0.885","","","","has coordinates","215037","2020-10-21","18:00:00",""
"1551017","11.8362","0.0007","11.7958","0.0007","7.8459","0.0005","90","","91.673","0.001","90","","1094.96","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","VM4040","Rbaa, Mohamed; Ramli, Youssef; Lakhrissi, Younes; Mague, Joel; Lakhrissi, Brahim","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","IUCrData","2019","4","5","x190625","","10.1107/S2414314619006254","","","0.71073","MoKα","","0.0331","0.0317","","","0.0912","0.0927","","","","","","1.048","","","","has coordinates,has Fobs","215043","2020-10-21","18:00:00",""
"1551018","11.3335","0.0002","32.6839","0.0009","15.9743","0.0004","90","","105.876","0.001","90","","5691.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-2:3κ^2^<i>C</i>:<i>C</i>-octacarbonyl-1κ^3^<i>C</i>, 2κ<i>C</i>,3κ<i>C</i>,4κ^3^<i>C</i>-bis[1:2μ-(η^6^:η^5^);3:4μ-(η^5^:η^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>—<i>Rh</i>)","","- C29 H18 Cr2 O9 Rh2 -","- C29 H18 Cr2 O9 Rh2 -","- C232 H144 Cr16 O72 Rh16 -","8","2","NR4002","Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre","μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>)","IUCrData","2019","4","5","x190573","","10.1107/S241431461900573X","","","0.71073","MoKα","","0.1077","0.0565","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates,has Fobs","215044","2020-10-21","18:00:00",""
"1551019","16.0043","0.0003","7.4649","0.0002","23.5799","0.0005","90","","95.161","0.001","90","","2805.68","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","","- C12 H11 Cl N2 O6 S -","- C12 H11 Cl N2 O6 S -","- C96 H88 Cl8 N16 O48 S8 -","8","1","IS4031","Manickam, R.; Rajakannan, V.; Prabhaharan, M.; Srinivasan, G.","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2019","4","5","x190566","","10.1107/S2414314619005662","","","0.71073","MoKα","","0.0297","0.0279","","","0.0777","0.0785","","","","","","1.144","","","","has coordinates,has Fobs","215045","2020-10-21","18:00:00",""
"1551020","10.8313","0.0004","7.618","0.0003","24.1463","0.0008","90","","90","","90","","1992.38","0.13","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","HB4297","Lough, Alan J.; Hill, Jarvis; Tam, William","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","IUCrData","2019","4","5","x190609","","10.1107/S2414314619006096","","","1.54178","CuKα","","0.0346","0.0341","","","0.0873","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","215046","2020-10-21","18:00:00",""
"1551021","10.825","0.0004","7.6099","0.0003","7.6814","0.0003","90","","90","","90","","632.77","0.04","","","298","","","","","","","","","3","C 2 2 21","C 2c 2","20","Nd3TaO7","","","- Nd3 O7 Ta -","- Nd3 O7 Ta -","- Nd12 O28 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215052","2020-10-21","18:00:00",""
"1551022","7.6508","0.0004","10.9308","0.0005","7.5403","0.0005","90","","90","","90","","630.59","0.06","","","600","","","","","","","","","3","P n m a","-P 2ac 2n","62","Nd3TaO7 at 600 K","","","- Nd3 O7 Ta -","- Nd3 O7 Ta -","- Nd12 O28 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215053","2020-10-21","18:00:00",""
"1551023","7.661","0.001","10.9041","0.0012","7.5009","0.0007","90","","90","","90","","626.6","0.12","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Nd3TaO7 orthorhombic phase","","","- Nd3 O7 Ta -","- Nd3 O7 Ta -","- Nd12 O28 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215054","2020-10-21","18:00:00",""
"1551024","7.6425","0.0003","10.8825","0.0005","7.5571","0.0004","90","","90","","90","","628.52","0.05","","","1100","","","","","","","","","4","P n m a","-P 2ac 2n","62","(Sm0.7Eu0.3)3TaO7 at 1100 K","","","- Eu0.9 O7 Sm2.1 Ta -","- Eu0.9 O7 Sm2.1 Ta -","- Eu3.6 O28 Sm8.4 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215055","2020-10-21","18:00:00",""
"1551025","5.5742","0.0007","10.477","0.0012","29.893","0.003","90","","90","","90","","1745.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O6 S -","- C16 H26 O6 S -","- C64 H104 O24 S4 -","4","1","","Zhang, Fan-Zhong; Li, Xiao-Ming; Yang, Sui-Qun; Meng, Ling-Hong; Wang, Bin-Gui","Thiocladospolides A-D, 12-Membered Macrolides from the Mangrove-Derived Endophytic Fungus Cladosporium cladosporioides MA-299 and Structure Revision of Pandangolide 3.","Journal of natural products","2019","82","6","1535","1541","10.1021/acs.jnatprod.8b01091","","","1.54178","CuKα","","0.1211","0.0741","","","0.1285","0.1566","","","","","","1.025","","","","has coordinates","223216","2020-10-21","18:00:00",""
"1551026","8.7354","0.0001","10.3344","0.0002","18.8954","0.0003","90","","90","","90","","1705.78","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong","Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.","Journal of natural products","2019","82","5","1114","1119","10.1021/acs.jnatprod.8b00821","","","1.54178","CuKα","","0.0315","0.0311","","","0.0819","0.0824","","","","","","1.053","","","","has coordinates","223215","2020-10-21","18:00:00",""
"1551027","8.5837","0.0003","12.3394","0.0004","19.5795","0.0006","90","","90","","90","","2073.82","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.88 F N3 O3.94 -","- C18 H27.88 F N3 O3.94 -","- C72 H111.52 F4 N12 O15.76 -","4","1","","Fischer, Joshua L.; Elvir, Brayan R.; DeLucia, Sally-Ann; Blodgett, Karl N.; Zeller, Matthias; Kubasik, Matthew A.; Zwier, Timothy S.","Single-Conformation Spectroscopy of Capped Aminoisobutyric Acid Dipeptides: The Effect of C-Terminal Cap Chromophores on Conformation.","The journal of physical chemistry. A","2019","123","19","4178","4187","10.1021/acs.jpca.9b01698","","","1.54178","CuKα","","0.0373","0.035","","","0.0958","0.0981","","","","","","1.07","","","","has coordinates","223239","2020-10-21","18:00:00",""
"1551028","7.2493","0.001","9.8263","0.0014","26.749","0.004","88.713","0.012","87.642","0.012","72.098","0.013","1811.5","0.5","298","0.2","298","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 Cl2 N3 O4 -","- C39 H43 Cl2 N3 O4 -","- C78 H86 Cl4 N6 O8 -","2","1","","Begum, Nazma; Kaur, Supreet; Mohiuddin, Golam; Nandi, Rajib; Gupta, Santosh Prasad; Rao, Nandiraju V. S.; Pal, Santanu Kumar","Structural Understanding, Photoswitchability, and Supergelation of a New Class of Four Ring-Based Bent-Shaped Liquid Crystal.","The journal of physical chemistry. B","2019","","","","","10.1021/acs.jpcb.9b01456","","x-ray","0.71073","MoKα","","0.1761","0.0706","","","0.1565","0.2344","","","","","","0.97","","","","has coordinates","215112","2020-10-21","18:00:00",""
"1551029","40.0152","0.0008","12.8645","0.0003","23.9666","0.0006","90","","102.621","0.002","90","","12039.3","0.5","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.2 H70.2 Cl2.6 N6 Ni O0.4 -","- C65.2 H70.2 Cl2.6 N6 Ni O0.4 -","- C521.6 H561.6 Cl20.8 N48 Ni8 O3.2 -","8","1","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54184","CuKα","","0.0851","0.0719","","","0.2039","0.2171","","","","","","1.025","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551030","24.352","0.005","26.043","0.004","16.592","0.003","90","","122.777","0.003","90","","8847","3","93","2","93","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C201 H227 N18 Ni3 -","- C201 H229 N18 Ni3 -","- C402 H458 N36 Ni6 -","2","0.5","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54187","CuKα","","0.0667","0.0586","","","0.1502","0.1558","","","","","","1.038","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551031","11.3078","0.0007","21.1896","0.0011","25.4949","0.0017","90","","100.698","0.003","90","","6002.6","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H73 Br Cl2 N6 Ni -","- C66 H73 Br Cl2 N6 Ni -","- C264 H292 Br4 Cl8 N24 Ni4 -","4","1","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54187","CuKα","","0.0863","0.0819","","","0.2541","0.2591","","","","","","1.034","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551032","14.2135","0.0004","17.6443","0.0008","26.4127","0.0011","76.353","0.004","82.03","0.003","78.35","0.003","6275.5","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H72 Cl5 N6 Ni -","- C66.5 H71 Cl5 N6 Ni -","- C266 H284 Cl20 N24 Ni4 -","4","2","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54184","CuKα","","0.1945","0.1495","","","0.3772","0.4111","","","","","","1.42","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1551033","16.4887","0.0002","17.6517","0.0002","18.6605","0.0002","82.386","0.001","73.352","0.001","69.529","0.001","4871.78","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H100 I2 N12 Ni2 -","- C110 H100 I2 N12 Ni2 -","- C220 H200 I4 N24 Ni4 -","2","1","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54184","CuKα","","0.087","0.0686","","","0.1871","0.2004","","","","","","1.047","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1551034","7.6808","0.0003","25.6538","0.001","12.9991","0.0004","90","","99.342","0.003","90","","2527.39","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B3 P Zn -","- C24 H32 B3 P Zn -","- C96 H128 B12 P4 Zn4 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71073","MoKα","","0.065","0.0384","","","0.082","0.0887","","","","","","1.032","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551035","9.5556","0.0005","17.7457","0.0008","11.4846","0.0005","90","","96.792","0.004","90","","1933.79","0.16","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 B2 Mg N4 -","- C17 H23 B2 Mg N4 -","- C68 H92 B8 Mg4 N16 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71073","MoKα","","0.0717","0.045","","","0.1149","0.1243","","","","","","1.059","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551036","11.1233","0.0012","10.5994","0.0011","11.2028","0.0012","90","","90","","90","","1320.8","0.2","298","","298","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","Ca-pyz","","","- C8 H16 B2 Ca N4 -","- C8 H16 B2 Ca N4 -","- C32 H64 B8 Ca4 N16 -","4","0.25","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","powder diffraction","","1","synchrotron","","","","","","","","","","2.6101","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551037","9.679","0.002","17.812","0.004","11.672","0.003","90","","96.918","0.003","90","","1997.6","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 B2 Mn N4 -","- C17 H20 B2 Mn N4 -","- C68 H80 B8 Mn4 N16 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0651","0.0489","","","0.1181","0.1295","","","","","","1.108","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551038","26","0.008","9.727","0.003","18.685","0.006","90","","97.15","0.005","90","","4689","3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 B2 Mn N4 -","- C20 H26 B2 Mn N4 -","- C160 H208 B16 Mn8 N32 -","8","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0905","0.0737","","","0.2044","0.222","","","","","","1.087","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551039","23.105","0.005","13.814","0.003","14.339","0.003","90","","90.514","0.003","90","","4576.4","1.7","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 B2 Mn N4 -","- C20 H26 B2 Mn N4 -","- C160 H208 B16 Mn8 N32 -","8","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0652","0.0553","","","0.1426","0.1513","","","","","","1.07","","","","has coordinates,has disorder","215123","2020-10-21","18:00:00",""
"1551040","5.155","0.003","13.178","0.007","11.242","0.006","90","","94.764","0.008","90","","761.1","0.7","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6.5 H11 B Mn0.5 N -","- C6.5 H11 B Mn0.5 N -","- C26 H44 B4 Mn2 N4 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.0552","0.0464","","","0.0854","0.0892","","","","","","1.152","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551041","8.0381","0.0003","11.3074","0.0003","14.0676","0.0004","79.486","0.002","89.486","0.002","71.225","0.003","1188.54","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 B4 N4 Zn2 -","- C20 H32 B4 N4 Zn2 -","- C40 H64 B8 N8 Zn4 -","2","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71073","MoKα","","0.0517","0.0333","","","0.078","0.0844","","","","","","1.044","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551042","5.2876","0.0003","10.9187","0.0007","12.7971","0.0007","91.996","0.005","90.216","0.005","94.748","0.005","735.83","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 B2 N2 Zn -","- C13 H22 B2 N2 Zn -","- C26 H44 B4 N4 Zn2 -","2","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","x-ray","0.71073","MoKα","","0.0553","0.0484","","","0.1272","0.1302","","","","","","1.078","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551043","9.794","0.005","10.087","0.005","12.178","0.005","103.895","0.005","99.016","0.005","98.093","0.005","1133.3","0.9","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 B2 Mn N5 -","- C21 H29 B2 Mn N6 -","- C42 H58 B4 Mn2 N12 -","2","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71069","MoKα","","0.1744","0.0916","","","0.1512","0.1897","","","","","","1.063","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551044","10.179","0.002","15.499","0.004","15.438","0.004","90","","107.261","0.003","90","","2325.9","1","183","2","183","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 B2 Mn N4 S2 -","- C20 H24 B2 Mn N4 S2 -","- C80 H96 B8 Mn4 N16 S8 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.074","0.0529","","","0.1092","0.1204","","","","","","1.058","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551045","46.455","0.005","46.455","0.005","46.455","0.005","90","","90","","90","","100253","19","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C324 H240 Cu12 N12 O108 Zn12 -","- C324 H144 Cu12 N12 O108 Zn12 -","- C1296 H576 Cu48 N48 O432 Zn48 -","4","0.0208333","","Lee, Jiyoung; Choi, Jae Sun; Jeong, Nak Cheon; Choe, Wonyoung","Formation of Trigons in a Metal-Organic Framework: The Role of Metal-Organic Polyhedron Subunits as Meta-Atoms","Chemical Science","2019","","","","","10.1039/C9SC00513G","","","0.7","synchrotron","","0.0971","0.0801","","","0.2707","0.2888","","","","","","1.298","","","","has coordinates,has disorder","215155","2020-10-21","18:00:00",""
"1551046","13.5671","0.0015","21.407","0.002","19.204","0.002","90","","108.995","0.002","90","","5273.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Mo(C4H6)(OSi(OtBu)3)3]","","- C40 H87 Mo O12 Si3 -","- C40 H87 Mo O12 Si3 -","- C160 H348 Mo4 O48 Si12 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.0795","0.05","","","0.1145","0.1286","","","","","","1.033","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551047","14.3543","0.0009","22.6953","0.0016","30.713","0.002","90","","98.374","0.002","90","","9898.9","1.1","103","2","103.6","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(μ-N2)[Mo(TBOS)3]2","","- C72 H162 Mo2 N2 O24 Si6 -","- C72 H162 Mo2 N2 O24 Si6 -","- C288 H648 Mo8 N8 O96 Si24 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1208","0.0606","","","0.143","0.1782","","","","","","1.115","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551048","26.8309","0.0013","15.5455","0.0007","27.4545","0.0013","90","","117.032","0.002","90","","10200.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mo(CO)(TBOS)3]","","- C37 H81 Mo O13 Si3 -","- C37 H81 Mo O13 Si3 -","- C296 H648 Mo8 O104 Si24 -","8","2","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.0686","0.0413","","","0.0851","0.0984","","","","","","1.077","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551049","14.097","0.0003","46.8142","0.0014","23.0986","0.0005","90","","90.002","0.002","90","","15243.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Mo(NO)(TBOS)3]","","- C36 H81 Mo N O13 Si3 -","- C36 H81 Mo N O13 Si3 -","- C432 H972 Mo12 N12 O156 Si36 -","12","3","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1189","0.0879","","","0.1424","0.1529","","","","","","1.184","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551050","9.2016","0.0004","22.5836","0.0008","24.6875","0.0008","90","","90.757","0.003","90","","5129.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Mo(C2H4)(OSi(OtBu)3)3]","","- C38 H85 Mo O12 Si3 -","- C38 H85 Mo O12 Si3 -","- C152 H340 Mo4 O48 Si12 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1153","0.0777","","","0.1177","0.1292","","","","","","1.094","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551051","18.388","0.019","22.712","0.006","26.4","0.03","90","","150.1","0.3","90","","5496","5","104","4","104","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mo(C4H8)(OSi(OtBu)3)3]","","- C40 H89 Mo O12 Si3 -","- C40 H89 Mo O12 Si3 -","- C160 H356 Mo4 O48 Si12 -","4","1","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1431","0.0908","","","0.162","0.1903","","","","","","1.095","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551052","18.0787","0.0005","23.6043","0.0008","36.5549","0.0012","90","","103.07","0.001","90","","15195.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mo(O)(TBOS)3]","","- C36 H81 Mo O13 Si3 -","- C36 H81 Mo O13 Si3 -","- C432 H972 Mo12 O156 Si36 -","12","3","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.0638","0.0444","","","0.092","0.1013","","","","","","1.023","","","","has coordinates,has disorder","215156","2020-10-21","18:00:00",""
"1551053","14.2373","0.0007","17.8493","0.0007","19.9245","0.0009","100.521","0.004","95.866","0.004","93.602","0.003","4934.9","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","[Mo(TBOS)3]","","- C36 H81 Mo O12 Si3 -","- C36 H81 Mo O12 Si3 -","- C144 H324 Mo4 O48 Si12 -","4","2","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.1606","0.0855","","","0.1594","0.1981","","","","","","0.959","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551054","13.8093","0.0007","23.8436","0.0013","31.356","0.0016","81.009","0.005","85.125","0.004","89.85","0.004","10160","0.9","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","[Mo(N)(TBOS)3]","","- C36 Mo N O12 Si3 -","- C36 Mo N O12 Si3 -","- C288 Mo8 N8 O96 Si24 -","8","4","","Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe","Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands","Chemical Science","2019","","","","","10.1039/C9SC01955C","","","0.71073","MoKα","","0.3459","0.1506","","","0.357","0.4874","","","","","","1.004","","","","has coordinates","215156","2020-10-21","18:00:00",""
"1551055","11.2723","0.0004","14.4121","0.0005","15.9112","0.0005","81.41","0.003","77.802","0.003","77.284","0.003","2450.19","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H96 Mg3 N6 O26 -","- C88 H48 Mg3 O20 -","- C88 H48 Mg3 O20 -","1","0.5","","Gladysiak, Andrzej; Nguyen, Tu Ngoc; Bounds, Richard; Zacharia, Anna; Itskos, Grigorios; Reimer, Jeffrey; Stylianou, Kyriakos","Temperature-dependent Interchromophoric Interaction in a Fluorescent Pyrene-based Metal‒organic Framework","Chemical Science","2019","","","","","10.1039/C9SC01422E","","x-ray","0.7142","synchrotron","","0.0726","0.0701","","","0.207","0.2105","","","","","","1.086","","","","has coordinates","215157","2020-10-21","18:00:00",""
"1551056","11.4034","0.0005","14.6274","0.0005","16.1091","0.0007","80.439","0.003","77.037","0.004","75.856","0.003","2521.5","0.18","350","","350","","","","","","","","","5","P -1","-P 1","2","","","","- C96.38 H67.56 Mg3 N2.79 O22.79 -","- C88 H48 Mg3 O20 -","- C88 H48 Mg3 O20 -","1","0.5","","Gladysiak, Andrzej; Nguyen, Tu Ngoc; Bounds, Richard; Zacharia, Anna; Itskos, Grigorios; Reimer, Jeffrey; Stylianou, Kyriakos","Temperature-dependent Interchromophoric Interaction in a Fluorescent Pyrene-based Metal‒organic Framework","Chemical Science","2019","","","","","10.1039/C9SC01422E","","x-ray","0.7142","synchrotron","","0.112","0.1059","","","0.3011","0.3093","","","","","","1.238","","","","has coordinates","215157","2020-10-21","18:00:00",""
"1551057","9.2146","0.0003","10.5078","0.0003","31.019","0.0007","92.279","0.002","97.13","0.002","113.899","0.003","2711.22","0.15","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H83.92 F3 N O7.96 S -","- C56 H83.9196 F3 N O7.9598 S -","- C112 H167.839 F6 N2 O15.9196 S2 -","2","1","","Herod, Jordan D.; Bates, Martin A.; Whitwood, Adrian C.; Bruce, Duncan W.","Ionic N-phenylpyridinium tetracatenar mesogens: competing driving forces in mesophase formation and unprecedented difference in phase stabilisation within a homologous series.","Soft matter","2019","15","22","4432","4436","10.1039/c9sm00846b","","x-ray","1.54184","CuKα","","0.0619","0.0528","","","0.1422","0.151","","","","","","1.02","","","","has coordinates,has disorder","225355","2020-10-21","18:00:00",""
"1551058","7.774","0.0006","8.4772","0.0005","9.6599","0.0007","66.595","0.006","77.917","0.006","76.113","0.006","562.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","HB4291","Ruan, Yao; Zhao, Hui","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","IUCrData","2019","4","5","x190607","","10.1107/S2414314619006072","","","0.71073","MoKα","","0.0693","0.0585","","","0.1452","0.1572","","","","","","1.084","","","","has coordinates,has Fobs","215175","2020-10-21","18:00:00",""
"1551059","7.3573","0.0003","11.2345","0.0005","12.9215","0.0005","74.215","0.004","78.085","0.004","85.178","0.004","1005.17","0.08","288.9","0.1","288.9","0.1","","","","","","","","6","P -1","-P 1","2","","Poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","1","0.5","TK4056","Yu, Jiamei; Wang, De-Chao; Wang, Bin","Polymeric poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","IUCrData","2019","4","5","x190667","","10.1107/S2414314619006679","","","1.54184","CuKα","","0.0518","0.0427","","","0.1151","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","215176","2020-10-21","18:00:00",""
"1551060","6.8542","0.0004","19.9526","0.0011","7.6704","0.0004","90","","95.762","0.003","90","","1043.7","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-3',4'-dihydroxybiphenyl","4-(2,3-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","SJ4205","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","2,3-Dichloro-3',4'-dihydroxybiphenyl","IUCrData","2019","4","5","x190662","","10.1107/S241431461900662X","","","0.71073","MoKα","","0.0776","0.0456","","","0.0678","0.0741","","","","","","1.048","","","","has coordinates,has Fobs","215177","2020-10-21","18:00:00",""
"1551061","21.1667","0.0008","6.6243","0.0003","11.3247","0.0004","90","","91.509","0.002","90","","1587.34","0.11","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethylammonium hydrogen oxalate‒oxalic acid (2/1)","","- C10 H20 N2 O12 -","- C10 H20 N2 O12 -","- C40 H80 N8 O48 -","4","0.5","BV4024","Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Ethylammonium hydrogen oxalate‒oxalic acid (2/1)","IUCrData","2019","4","5","x190635","","10.1107/S2414314619006357","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0706","0.0747","","","","","","1.029","","","","has coordinates,has Fobs","215178","2020-10-21","18:00:00",""
"1551062","6.944","0.0008","12.1354","0.0016","8.8283","0.0011","90","","98.888","0.011","90","","735.01","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","","- C5 H8 N2 O S -","- C5 H8 N2 O S -","- C20 H32 N8 O4 S4 -","4","1","SJ4204","Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W.","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","IUCrData","2019","4","5","x190613","","10.1107/S2414314619006138","","x-ray","0.71073","MoKα","","0.0857","0.0509","","","0.1106","0.1417","","","","","","1.082","","","","has coordinates,has Fobs","215179","2020-10-21","18:00:00",""
"1551063","11.007","0.002","11.5591","0.0012","12.534","0.002","63.254","0.012","86.458","0.019","79.581","0.017","1400.3","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","(C29H29N5)2Fe2(OH)2(ClO4)2","","","- C58 H60 Cl2 Fe2 N10 O10 -","- C58 H60 Cl2 Fe2 N10 O10 -","- C58 H60 Cl2 Fe2 N10 O10 -","1","0.5","","Yaguchi, Reiko; Furutachi, Hideki; Shirotsuki, Sanae; Zhang, Xi; Ishikawa, Takanao; Akine, Shigehisa; Tosha, Takehiko; Fujinami, Shuhei; Suzuki, Masatatsu; Kitagawa, Teizo","Synthesis and Crystal Structure of the Bis(μ-hydroxo)diiron(II) Complex with Tridentate Ligands Having a Sterically Bulky Imidazolyl Group","X-ray Structure Analysis Online","2019","35","0","27","","10.2116/xraystruct.35.27","","","0.71073","MoKα","","0.0349","0.0328","","","0.0847","0.0862","","","","","","1.046","","","","has coordinates","215199","2020-10-21","18:00:00",""
"1551064","11.598","0.008","11.598","0.008","25.367","0.018","90","","90","","120","","2955","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H36 F18 Fe O6 P3 S6 -","- C12 H36 F18.008 Fe O6 P3 S6 -","- C36 H108 F54.024 Fe3 O18 P9 S18 -","3","0.166667","","Shomura, Kaoru; Mitsuhashi, Ryoji; Mikuriya, Masahiro; Kataoka, Yusuke; Handa, Makoto; Sakiyama, Hiroshi","Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylsulfoxide-κ<i>O</i>)iron(III) Tris(hexafluoridophosphate)","X-ray Structure Analysis Online","2019","35","0","31","","10.2116/xraystruct.35.31","","","0.71073","MoKα","","0.0853","0.0509","","","0.1343","0.1565","","","","","","1.046","","","","has coordinates,has disorder","215200","2020-10-21","18:00:00",""
"1551065","8.9968","0.0003","18.444","0.0008","9.3737","0.0004","90","","117.856","0.002","90","","1375.21","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl Fe N3 -","- C30 H34 Cl Fe N3 -","- C60 H68 Cl2 Fe2 N6 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.0823","0.0452","","","0.0805","0.091","","","","","","0.98","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551066","9.606","0.006","10.504","0.006","17.317","0.01","103.9","0.02","93.89","0.03","91.43","0.03","1690.7","1.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 Fe N2 -","- C39 H51 Fe N2 -","- C78 H102 Fe2 N4 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.1857","0.1314","","","0.3289","0.3628","","","","","","1.122","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551067","20.583","0.004","11.705","0.003","19.314","0.004","90","","116.648","0.006","90","","4158.9","1.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cl Fe N3 -","- C46 H42 Cl Fe N3 -","- C184 H168 Cl4 Fe4 N12 -","4","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.2834","0.09","","","0.1937","0.2617","","","","","","0.723","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551068","14.0411","0.0013","16.3354","0.0014","17.4433","0.0018","107.001","0.004","92.917","0.004","100.939","0.004","3732.4","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H93 Fe2 N5 -","- C69 H93 Fe2 N5 -","- C138 H186 Fe4 N10 -","2","1","","Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.","Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02319K","","","0.71073","MoKα","","0.0832","0.0562","","","0.153","0.1674","","","","","","1.015","","","","has coordinates","215222","2020-10-21","18:00:00",""
"1551069","7.0128","0.0007","7.9882","0.0008","9.0732","0.0009","74.121","0.004","86.734","0.004","79.29","0.004","480.36","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","","- C4 H11 N5 O6 S -","- C4 H11 N5 O6 S -","- C8 H22 N10 O12 S2 -","2","1","RZ4030","Tapmeyer, Lukas; Prill, Dragica","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","IUCrData","2019","4","5","x190689","","10.1107/S2414314619006898","","","1.54178","CuKα","","0.0866","0.0797","","","0.2624","0.2812","","","","","","1.399","","","","has coordinates,has Fobs","215251","2020-10-21","18:00:00",""
"1551070","11.2225","0.001","6.4382","0.0006","14.0893","0.0013","90","","99.6595","0.0018","90","","1003.56","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O -","- C26 H23 N O -","- C52 H46 N2 O2 -","2","1","","Alexy, Eric J.; Fulton, Tyler J.; Zhang, Haiming; Stoltz, Brian M.","Palladium-catalyzed enantioselective decarboxylative allylic alkylation of fully substituted N-acyl indole-derived enol carbonates","Chemical Science","2019","","","","","10.1039/C9SC01726G","","","1.54178","CuKα","","0.0265","0.0265","","","0.0681","0.0682","","","","","","1.038","","","","has coordinates","215290","2020-10-21","18:00:00",""
"1551071","10.581","0.003","10.581","0.003","12.329","0.003","90","","90","","120","","1195.4","0.6","100","2","100","2","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","","","Murrie, Mark; Hay, Moya; Sarkar, Arup; Craig, Gavin A.; Bhaskaran, Lakshmi; Nehrkorn, Joscha; Ozerov, Mykhaylo; Marriott, Katie; Wilson, Claire; Rajaraman, Gopalan; Hill, Stephen","In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(II)","Chemical Science","2019","","","","","10.1039/C9SC00987F","","","0.71075","MoKα","","0.0453","0.0376","","","0.0644","0.0674","","","","","","1.105","","","","has coordinates","215336","2020-10-21","18:00:00",""
"1551072","9.462","0.002","14.849","0.004","14.515","0.004","90","","108.674","0.005","90","","1932","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H29 Br N2 O4 S -","- C42 H29 Br N2 O4 S -","- C84 H58 Br2 N4 O8 S2 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1443","0.0767","","","0.1764","0.1943","","","","","","1.078","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551073","11.153","0.002","11.57","0.002","25.918","0.004","90","","90","","90","","3344.5","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Br N2 O3 -","- C39 H35 Br N2 O3 -","- C156 H140 Br4 N8 O12 -","4","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1314","0.0597","","","0.1475","0.1773","","","","","","1.03","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551074","15.033","0.005","8.026","0.002","18.952","0.006","90","","93.392","0.006","90","","2282.6","1.2","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H33 Br N2 O4 S -","- C48 H33 Br N2 O4 S -","- C96 H66 Br2 N4 O8 S2 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1054","0.064","","","0.1739","0.206","","","","","","0.994","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551075","8.5449","0.0016","11.993","0.002","13.598","0.002","90","","104.922","0.003","90","","1346.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 Br N2 O2 -","- C35 H25 Br N2 O2 -","- C70 H50 Br2 N4 O4 -","2","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.0535","0.0368","","","0.0799","0.0859","","","","","","0.963","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551076","15.0667","0.0004","15.0667","0.0004","22.0098","0.0009","90","","90","","120","","4327","0.2","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C35 H25 Br N2 O2 -","- C35 H25 Br N2 O2 -","- C210 H150 Br6 N12 O12 -","6","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.0574","0.0439","","","0.0885","0.1009","","","","","","1.057","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551078","9.2333","0.0006","10.316","0.0007","11.4148","0.0008","94.362","0.003","91.419","0.002","116.416","0.003","968.83","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Triethyldiphosphonium NDI dication","'N,N-dibenzyl-2,6-triethyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide-bis-tetrafluoroborate' ?","","- C40 H46 B2 F8 N2 O4 P2 -","- C40 H46 B2 F8 N2 O4 P2 -","- C40 H46 B2 F8 N2 O4 P2 -","1","0.5","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.0499","0.0467","","","0.1423","0.1471","","","","","","1.1","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551079","11.567","0.0016","17.559","0.003","15.777","0.002","90","","98.559","0.004","90","","3168.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Triphenyldiphosphonium NDI dication","'N,N-di-2,6-diisopropylphenyl-2,6-triphenylldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide-bis-tetrafluoroborate' ?","","- C74 H66 B2 F8 N2 O4 P2 -","- C74 H66 B2 F8 N2 O4 P2 -","- C148 H132 B4 F16 N4 O8 P4 -","2","0.5","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.1548","0.0835","","","0.1996","0.2258","","","","","","1.209","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551080","18.1243","0.0013","12.7829","0.001","19.6169","0.0019","90","","117.061","0.002","90","","4047.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Triethyldiphosphonium NDI direduced","'N,N-dibenzyl-2,6-triethyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide' ?","","- C40 H46 N2 O4 P2 -","- C40 H46 N2 O4 P2 -","- C160 H184 N8 O16 P8 -","4","1","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.0318","0.0312","","","0.0861","0.0865","","","","","","1.021","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551081","11.0052","0.0006","13.5844","0.0007","14.2986","0.0008","103.374","0.002","94.28","0.003","111.83","0.002","1899.74","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Triphenyldiphosphonium NDI direduced","'N,N-di-2,6-diisopropylphenyl-2,6-triphenyldiphosphonium-naphthalene-l,4,5,8-tetracarboxylic acid bisimide' ?","","- C82 H76 Cl4 N2 O4 P2 -","- C82 H76 Cl4 N2 O4 P2 -","- C82 H76 Cl4 N2 O4 P2 -","1","0.5","","Mukhopadhyay, Pritam; Kumar, sharvan; Shukla, Jyoti; Mandal, Kalyanshis; Kumar, Yogendra; Prakash, Ravi; Ram, Panch","Doubly-Zwitterionic, Di-reduced, Highly Electron-Rich, Air-Stable Naphthalenediimides: Redox-Switchable Islands of Aromatic-Antiaromatic States","Chemical Science","2019","","","","","10.1039/C9SC00962K","","","0.71073","MoKα","","0.1144","0.0813","","","0.2181","0.2295","","","","","","1.393","","","","has coordinates","215364","2020-10-21","18:00:00",""
"1551082","6.2989","0.0003","10.0377","0.0005","17.5539","0.0009","90","","90","","90","","1109.87","0.1","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.0269","0.0268","","","0.0675","0.0676","","","","","","1.098","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551083","6.9109","0.0007","9.9938","0.0009","8.2507","0.0008","90","","92.496","0.005","90","","569.3","0.09","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.041","0.0387","","","0.0989","0.1018","","","","","","1.073","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551084","6.1412","0.0002","6.7002","0.0003","15.7738","0.0006","90","","94.466","0.002","90","","647.08","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.0398","0.0392","","","0.1028","0.1039","","","","","","1.05","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551085","5.8737","0.0006","8.6858","0.0008","7.0567","0.0007","90","","105.408","0.0018","90","","347.08","0.06","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Plutonium(III)tungstate hydrate","","","- O9 Pu W2 -","- O9 Pu W2 -","- O18 Pu2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0297","0.0245","","","0.0573","0.0595","","","","","","1.047","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551086","5.9437","0.0013","8.7122","0.0019","7.1181","0.0016","90","","105.854","0.003","90","","354.57","0.14","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cerium tungstate hydrate","","","- Ce H2 O9 W2 -","- Ce O9 W2 -","- Ce2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0241","0.0192","","","0.0374","0.0386","","","","","","1.057","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551087","5.904","0.0001","8.7129","0.0001","7.0935","0.0001","90","","105.695","0.001","90","","351.291","0.009","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Praseodymium tungstate hydrate","","","- O9 Pr W2 -","- O9 Pr W2 -","- O18 Pr2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0104","0.0103","","","0.0259","0.0259","","","","","","1.213","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551088","5.868","0.0005","8.6979","0.0007","7.0601","0.0006","90","","105.388","0.0016","90","","347.42","0.05","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Plutonium(III)tungstate hydrate","","","- O9 Pu W2 -","- O9 Pu W2 -","- O18 Pu2 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0242","0.02","","","0.0462","0.0474","","","","","","1.074","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551089","5.991","0.003","8.736","0.004","7.165","0.003","90","","106.044","0.004","90","","360.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lanthanum tungstate hydrate","","","- H0 La O9 W2 -","- La O9 W2 -","- La2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0352","0.033","","","0.0814","0.0822","","","","","","1.22","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551090","5.3379","0.0012","12.626","0.003","6.7606","0.0015","90","","111.475","0.006","90","","424.01","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Americium(III) tungstate hydroxide","","","- Am H O5 W -","- Am O5 W -","- Am4 O20 W4 -","4","1","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0318","0.0232","","","0.0424","0.0443","","","","","","1.095","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551091","5.9121","0.0005","8.7194","0.0007","7.1024","0.0006","90","","105.7","0.001","90","","352.47","0.05","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Neodymium tungstate hydrate","","","- Nd O9 W2 -","- Nd O9 W2 -","- Nd2 O18 W4 -","2","0.5","","Cross, Justin; Lee, Tsung-Han; Kang, Chang-Jong; Yao, Yongxin; Cary, Samantha K.; Stritzinger, Jared; Polinski, Matthew; McKinley, Carla Dorothy; Albrecht-Schmitt, Thomas; Lanata, Nicola","Origins of the Odd Optical Observables in Plutonium and Americium Tungstates","Chemical Science","2019","","","","","10.1039/C9SC01174A","","","0.71073","MoKα","","0.0251","0.021","","","0.0464","0.0481","","","","","","1.081","","","","has coordinates","215366","2020-10-21","18:00:00",""
"1551092","6.9477","0.0004","10.8782","0.0007","20.8769","0.0011","89.11","0.003","87.052","0.003","78.876","0.003","1546.13","0.16","150","2","150.39","","","","","","","","","5","P -1","-P 1","2","","Dodecan-1-aminium sulfate trihydrate","","- C24 H62 N2 O7 S -","- C24 H62 N2 O7 S -","- C48 H124 N4 O14 S2 -","2","1","ZQ4036","Liu, Jiapan; Di, Youying; Chen, Fengying","Dodecan-1-aminium sulfate trihydrate","IUCrData","2019","4","5","x190704","","10.1107/S2414314619007041","","","0.71073","MoKα","","0.0753","0.0467","","","0.1106","0.1253","","","","","","1.024","","","","has coordinates,has Fobs","215399","2020-10-21","18:00:00",""
"1551093","15.8225","0.0007","19.4848","0.0009","21.1157","0.001","70.092","0.003","81.078","0.003","72.501","0.002","5827.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H77 Br Cu3 F9 N15 O12 -","- C105 H77 Br Cu3 F9 N15 O12 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","2","1","","Benyettou, Farah; Prakasam, Thirumurugan; Ramdas Nair, Anjana; Witzel, Ini-Isabee; Alhashimi, Marwa; Skorjanc, Tina; Olsen, John-Carl; Sadler, Kirsten C.; Trabolsi, Ali","Potent and selective in vitro and in vivo antiproliferative effects of metal–organic trefoil knots","Chemical Science","2019","","","","","10.1039/C9SC01218D","","","1.54178","CuKα","","0.1278","0.1101","","","0.3088","0.3225","","","","","","1.364","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551094","7.469","0.003","7.941","0.004","19.929","0.008","90","","90.051","0.014","90","","1182","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.0836","0.0623","","","0.1648","0.194","","","","","","1.078","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551095","6.7561","0.0003","8.5826","0.0005","14.0541","0.0008","90.518","0.002","90.543","0.002","103.168","0.002","793.41","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O -","- C20 H21 N O -","- C40 H42 N2 O2 -","2","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.0506","0.0466","","","0.1205","0.1247","","","","","","1.037","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551096","3.9037","0.0004","39.676","0.005","7.6371","0.0009","90","","98.326","0.003","90","","1170.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.0452","0.0422","","","0.11","0.1129","","","","","","1.075","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551097","8.3841","0.0009","13.7451","0.0015","14.1044","0.0015","90.77","0.003","97.215","0.003","94.98","0.003","1606","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Cl N O -","- C19 H18 Cl N O -","- C76 H72 Cl4 N4 O4 -","4","2","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.1365","0.0641","","","0.1312","0.1607","","","","","","1.019","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551098","13.421","0.002","9.1933","0.0015","14.5321","0.0018","90","","91.484","0.004","90","","1792.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N O3 -","- C21 H18 Cl N O3 -","- C84 H72 Cl4 N4 O12 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.1943","0.1746","","","0.4876","0.5549","","","","","","2.432","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551099","9.257","0.0003","14.932","0.0003","11.4194","0.0003","90","","109.589","0.001","90","","1487.09","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate","Chemical Science","2019","","","","","10.1039/C9SC00735K","","","0.71073","MoKα","","0.046","0.0399","","","0.0977","0.1028","","","","","","1.019","","","","has coordinates","215428","2020-10-21","18:00:00",""
"1551100","21.538","0.0008","15.2994","0.0007","51.669","0.002","90","","94.602","0.001","90","","16971","1.2","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62.25 H80.37 N17.12 O13 P -","- C65 H69.5 N17.5 O14 P -","- C520 H556 N140 O112 P8 -","8","2","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","","0.71073","MoKα","","0.1222","0.0916","","","0.2709","0.2966","","","","","","1.061","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551101","22.5953","0.0016","26.3348","0.0018","19.0456","0.0012","90","","103.18","0.004","90","","11034.4","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H147 N17 O15 P -","- C95 H102 N17 O15 P -","- C380 H408 N68 O60 P4 -","4","1","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","","1.54178","CuKα","","0.1703","0.1108","","","0.272","0.3009","","","","","","1.048","","","","has coordinates","215430","2020-10-21","18:00:00",""
"1551102","35.9168","0.0011","35.9168","0.0011","32.8056","0.0014","90","","90","","90","","42320","3","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C85 H126 N17 O17 P -","- C82.5 H84 N17 O17 P -","- C1320 H1344 N272 O272 P16 -","16","","","Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao","Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations","Chemical Science","2019","","","","","10.1039/C9SC02012H","","x-ray","0.71073","MoKα","","0.161","0.1007","","","0.282","0.3029","","","","","","1.169","","","","has coordinates","215430","2020-10-21","18:00:00",""
"1551103","9.6559","0.0002","29.8416","0.0006","30.1248","0.0007","90","","98.54","0.001","90","","8584.1","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C256 H608 N32 O96 -","32","16","LQ5021","Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.","Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates","IUCrJ","2019","6","4","","","10.1107/S2052252519004755","","","1.54178","CuKα","","0.0641","0.0482","","","0.1206","0.1344","","","","","","1.012","","","","has coordinates","215440","2020-10-21","18:00:00",""
"1551104","9.566","0.007","7.44","0.006","15.911","0.012","90","","101.54","0.03","90","","1109.5","1.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C32 H76 N4 O12 -","4","1","","Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J.","Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates","IUCrJ","2019","6","4","","","10.1107/S2052252519004755","","","0.71073","MoKα","","0.079","0.0586","","","0.1313","0.141","","","","","","1.063","","","","has coordinates","215440","2020-10-21","18:00:00",""
"1551110","8.0803","0.0002","13.8722","0.0004","14.7217","0.0004","90","","95.773","0.002","90","","1641.81","0.08","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N4 O5 -","- C18 H16 N4 O5 -","- C72 H64 N16 O20 -","4","1","","Sumitra N. Mangasuli; Kallappa M. Hosamani; Praveen B. Managutti","Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis","Heliyon","2019","5","","e01131","","10.1016/j.heliyon.2019.e01131","","x-ray","0.71073","MoKα","","0.0464","0.0385","","","0.1086","0.1135","","","","","","1.078","","","","has coordinates","215448","2020-10-21","18:00:00",""
"1551111","8.5881","0.0003","24.4244","0.0008","11.4808","0.0004","90","","90","","90","","2408.2","0.14","130","2","130","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H28 Co N6 S4 -","- C16 H28 Co N6 S4 -","- C64 H112 Co4 N24 S16 -","4","0.5","","A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed","Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures","Heliyon","2019","5","","e01139","","10.1016/j.heliyon.2019.e01139","","","1.54178","CuKα","","0.053","0.0473","","","0.131","0.1368","","","","","","1.046","","","","has coordinates,has disorder","215450","2020-10-21","18:00:00",""
"1551112","7.0364","0.0016","21.638","0.005","15.514","0.003","90","","96.356","0.004","90","","2347.5","0.9","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl3 F6 N O S Ti -","- C20 H16 Cl3 F6 N O S Ti -","- C80 H64 Cl12 F24 N4 O4 S4 Ti4 -","4","1","","Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong","An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes","Polymer Chemistry","2019","10","26","3604","","10.1039/C9PY00009G","","","0.71073","MoKα","","0.0859","0.0641","","","0.1556","0.1663","","","","","","1.059","","","","has coordinates,has disorder","225337","2020-10-21","18:00:00",""
"1551113","11.7525","0.0006","13.7868","0.0008","15.8335","0.0009","90","","99.701","0.001","90","","2528.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl3 N O S Ti -","- C20 H22 Cl3 N O S Ti -","- C80 H88 Cl12 N4 O4 S4 Ti4 -","4","1","","Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong","An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes","Polymer Chemistry","2019","10","26","3604","","10.1039/C9PY00009G","","","0.71073","MoKα","","0.05","0.0382","","","0.1016","0.1062","","","","","","1.055","","","","has coordinates","225337","2020-10-21","18:00:00",""
"1551142","7.5586","0.0001","9.2085","0.0001","30.8403","0.0005","90","","90","","90","","2146.59","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 B N2 -","- C24 H31 B N2 -","- C96 H124 B4 N8 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1196","0.1205","","","","","","1.146","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551143","8.5612","0.0001","15.4461","0.0002","15.9652","0.0003","90","","90","","90","","2111.19","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B N2 -","- C23 H29 B N2 -","- C92 H116 B4 N8 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0465","0.0455","","","0.109","0.1107","","","","","","1.083","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551144","7.7655","0.0001","12.1708","0.0001","22.3907","0.0002","90","","90","","90","","2116.2","0.04","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B N2 O -","- C23 H29 B N2 O -","- C92 H116 B4 N8 O4 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0371","0.0364","","","0.1027","0.104","","","","","","1.04","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551145","9.3302","0.00015","9.63981","0.00015","19.2808","0.0003","87.0024","0.0011","88.5252","0.0012","67.0902","0.001","1595.14","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Br3 N2 Si -","- C30 H41 Br3 N2 Si -","- C60 H82 Br6 N4 Si2 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0762","0.0568","","","0.1479","0.1584","","","","","","0.974","","","","has coordinates","215508","2020-10-21","18:00:00",""
"1551146","10.4358","0.0006","19.1606","0.0005","24.4753","0.0008","90","","95.466","0.003","90","","4871.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H69 Cl3 N2 Si6 -","- C39 H69 Cl3 N2 Si6 -","- C156 H276 Cl12 N8 Si24 -","4","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.1118","0.0768","","","0.1865","0.2177","","","","","","1.032","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551147","10.3993","0.0007","12.5264","0.0007","18.4455","0.0011","88.449","0.003","85.965","0.004","75.29","0.003","2318.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H68 N2 Si5 -","- C39 H68 N2 Si5 -","- C78 H136 N4 Si10 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0631","0.0526","","","0.151","0.1667","","","","","","1.159","","","","has coordinates","215508","2020-10-21","18:00:00",""
"1551148","11.361","0.0002","18.2937","0.0004","11.6759","0.0002","90","","105.758","0.0008","90","","2335.45","0.08","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H69 N3 Si5 -","- C40 H69 N3 Si5 -","- C80 H138 N6 Si10 -","2","0.5","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0825","0.0786","","","0.2237","0.2282","","","","","","1.01","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551149","10.1314","0.0004","13.5879","0.0006","18.6001","0.0007","78.391","0.003","85.188","0.002","77.406","0.003","2445.7","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H64 N2 P4 Si5 -","- C39 H64 N2 P4 Si5 -","- C78 H128 N4 P8 Si10 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.072","0.0603","","","0.1709","0.1837","","","","","","1.035","","","","has coordinates","215508","2020-10-21","18:00:00",""
"1551150","20.6562","0.0005","13.3097","0.0003","19.844","0.0005","90","","109.658","0.0009","90","","5137.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H71 F3 N2 O3 S Si5 -","- C41 H71 F3 N2 O3 S Si5 -","- C164 H284 F12 N8 O12 S4 Si20 -","4","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric","A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds","Chemical Science","2019","","","","","10.1039/C9SC01192G","","","1.54178","CuKα","","0.0344","0.0319","","","0.0904","0.0932","","","","","","1.032","","","","has coordinates,has disorder","215508","2020-10-21","18:00:00",""
"1551151","21.3924","0.0002","18.277","0.0001","22.9162","0.0003","90","","90","","90","","8959.98","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H71 B Mg N4 O2 -","- C44 H71 B Mg N4 O2 -","- C352 H568 B8 Mg8 N32 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0765","0.0653","","","0.1585","0.1655","","","","","","1.067","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551152","23.0251","0.0003","18.0591","0.0002","22.6756","0.0002","90","","112.285","0.001","90","","8724.55","0.18","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 B Mg N3 O2 -","- C46 H68 B Mg N3 O2 -","- C368 H544 B8 Mg8 N24 O16 -","8","2","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0685","0.0592","","","0.1484","0.1545","","","","","","1.032","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551153","12.10496","0.00012","22.2539","0.0002","18.11019","0.00016","90","","98.9416","0.0009","90","","4819.28","0.08","149.9","0.3","149.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B Mg N3 O2 -","- C54 H68 B Mg N3 O2 -","- C216 H272 B4 Mg4 N12 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0561","0.045","","","0.1076","0.1142","","","","","","1.025","","","","has coordinates,has disorder","215509","2020-10-21","18:00:00",""
"1551154","20.5267","0.0001","19.7717","0.0001","21.7073","0.0001","90","","90","","90","","8809.86","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H68 B Mg N3 O2 -","- C46 H68 B Mg N3 O2 -","- C368 H544 B8 Mg8 N24 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.048","0.0448","","","0.1168","0.1198","","","","","","1.032","","","","has coordinates,has disorder","215509","2020-10-21","18:00:00",""
"1551155","11.8747","0.0005","20.2674","0.0006","18.1008","0.0007","90","","90.243","0.004","90","","4356.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 B Mg N3 O2 -","- C48 H64 B Mg N3 O2 -","- C192 H256 B4 Mg4 N12 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0919","0.0675","","","0.1491","0.162","","","","","","1.056","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551156","18.6101","0.0002","15.4868","0.0002","17.9575","0.0002","90","","103.065","0.01","90","","5041.6","0.2","291.55","0.1","291.55","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H75 B Mg N4 O2 -","- C54 H75 B Mg N4 O2 -","- C216 H300 B4 Mg4 N16 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1013","0.1056","","","","","","1.04","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551157","11.9947","0.0003","21.8853","0.0005","19.2733","0.0003","90","","98.837","0.002","90","","4999.33","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H75 B Mg N3 O2 -","- C57 H75 B Mg N3 O2 -","- C228 H300 B4 Mg4 N12 O8 -","4","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0783","0.0525","","","0.1189","0.1316","","","","","","1.033","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551158","11.0413","0.0008","11.5237","0.0007","17.5561","0.0011","82.531","0.005","82.771","0.006","84.24","0.005","2189.2","0.3","149.9","0.4","149.9","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 B Mg N3 O2 -","- C48 H64 B Mg N3 O2 -","- C96 H128 B2 Mg2 N6 O4 -","2","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.1234","0.0684","","","0.1173","0.1431","","","","","","1.033","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551159","8.4487","0.0002","23.7284","0.0005","10.4078","0.0002","90","","104.698","0.001","90","","2018.22","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C24 H26 S2","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","","- C24 H26 S2 -","- C24 H26 S2 -","- C96 H104 S8 -","4","1","HB4295","Garita-Salazar, Bruno; Pineda, Leslie W.","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","IUCrData","2019","4","5","x190677","","10.1107/S2414314619006771","","","1.54178","CuKα","","0.035","0.0304","","","0.0741","0.0765","","","","","","1.054","","","","has coordinates,has Fobs","215535","2020-10-21","18:00:00",""
"1551160","16.321","0.003","16.896","0.003","27.357","0.003","107.097","0.008","95.666","0.008","92.215","0.007","7157","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H129 Au11 Cl9 N2 P7 -","- C142 H129 Au10.988 Cl9 N2 P7 -","- C284 H258 Au21.976 Cl18 N4 P14 -","2","1","","Mina R. Narouz; Kimberly M. Osten; Phillip J. Unsworth; Renee W. Y. Man; Kirsi Salorinne; Shinjiro Takano; Ryohei Tomihara; Sami Kaappa; Sami Malola; Cao-Thang Dinh; J. Daniel Padmos; Kennedy Ayoo; Patrick J. Garrett; Masakazu Nambo; J. Hugh Horton; Edward H. Sargent; Hannu Hakkinen; Tatsuya Tsukuda; Cathleen M. Crudden","N-heterocyclic carbene-functionalized magic-number gold nanoclusters","Nature Chemistry","2019","11","","419","425","10.1038/s41557-019-0246-5","","","0.71075","MoKα","","0.0749","0.0679","","","0.1727","0.1785","","","","","","1.102","","","","has coordinates,has disorder","215549","2020-10-21","18:00:00",""
"1551162","9.6282","0.0009","11.0221","0.0009","13.0273","0.0012","91.05","0.004","109.419","0.004","94.574","0.002","1298.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 B N O5 S -","- C26 H30 B N O5 S -","- C52 H60 B2 N2 O10 S2 -","2","1","","Tombul, Mustafa","Crystal Structure of Tertiarybutyl Ammonium Bis[(naphthalene-2,3-diolato)borate] Dimethyl Sulfoxide Solvate","X-ray Structure Analysis Online","2019","35","0","3","","10.2116/xraystruct.35.3","","","0.71073","MoKα","","0.104","0.074","","","0.168","0.1924","","","","","","1.107","","","","has coordinates,has disorder","215567","2020-10-21","18:00:00",""
"1551163","10.4586","0.0016","10.5142","0.0016","11.4718","0.0017","66.542","0.003","65.408","0.003","79.755","0.003","1052.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N8 O14 Yb2 -","- C40 H46 N8 O14 Yb2 -","- C40 H46 N8 O14 Yb2 -","1","0.5","","Brunet, Gabriel; Marin, Riccardo; Monks, Melissa-Jane; Resch-Genger, Ute; Galico, Diogo Alves; Sigoli, Fernando Aparecido; Suturina, Elizaveta A.; Hemmer, Eva; Murugesu, Muralee","Exploring the dual functionality of an ytterbium complex for molecular optical thermometry and slow magnetic relaxation","Chemical Science","2019","","","","","10.1039/C9SC00343F","","","0.71073","MoKα","","0.0121","0.0115","","","0.0297","0.0299","","","","","","1.068","","","","has coordinates","215573","2020-10-21","18:00:00",""
"1551164","28.6201","0.001","28.6201","0.001","39.803","0.002","90","","90","","90","","32603","2","129","0.1","129","0.1","","","","","","","","5","I 4/m","-I 4","87","","","","- C228 H204 Cu24 N12 O144 -","- C228 H204 Cu24 N12 O144 -","- C456 H408 Cu48 N24 O288 -","2","0.125","","Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian","Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages","Chemical Science","2019","","","","","10.1039/C9SC01892A","","","0.71073","MoKα","","0.1727","0.0795","","","0.1971","0.2265","","","","","","0.819","","","","has coordinates,has disorder","215574","2020-10-21","18:00:00",""
"1551165","24.5209","0.001","25.3703","0.0007","37.0128","0.0012","88.01","0.002","79.07","0.003","75.949","0.003","21930.1","1.3","128.4","0.14","128.4","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C198 H145 Cu24 O139 S -","- C198 H145 Cu24 O139 S -","- C396 H290 Cu48 O278 S2 -","2","1","","Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian","Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages","Chemical Science","2019","","","","","10.1039/C9SC01892A","","","0.71073","MoKα","","0.1625","0.084","","","0.197","0.2263","","","","","","0.841","","","","has coordinates","215574","2020-10-21","18:00:00",""
"1551166","12.2358","0.0017","12.2358","0.0017","33.86","0.007","90","","90","","120","","4390.2","1.3","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C33 H24 O12 -","- C33 H24 O12 -","- C132 H96 O48 -","4","0.333333","","Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance","Chemical Science","2019","","","","","10.1039/C9SC00290A","","","0.71073","MoKα","","0.0734","0.0609","","","0.1758","0.1863","","","","","","1.076","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551167","22.67","0.003","22.67","0.003","16.778","0.003","90","","90","","120","","7467.5","1.9","153","2","153","2","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C41 H40 O16 -","- C33 H24 O12 -","- C198 H144 O72 -","6","0.5","","Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance","Chemical Science","2019","","","","","10.1039/C9SC00290A","","","0.71073","MoKα","","0.0897","0.0726","","","0.2186","0.236","","","","","","1.112","","","","has coordinates,has disorder","215593","2020-10-21","18:00:00",""
"1551168","3.8653","0.0002","15.5368","0.0008","19.505","0.0012","101.55","0.004","91.474","0.005","94.709","0.004","1142.7","0.11","160.15","","160.15","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H22 N4 -","- C33 H22 N4 -","- C66 H44 N8 -","2","1","","Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli","Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor","Chemical Science","2019","","","","","10.1039/C9SC01821B","","x-ray","1.34143","GaKα","","0.0682","0.047","","","0.1193","0.1287","","","","","","0.922","","","","has coordinates","215594","2020-10-21","18:00:00",""
"1551169","15.6193","0.0006","13.7087","0.0004","14.6312","0.0005","90","","94.394","0.003","90","","3123.63","0.19","180.15","","180.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N4 -","- C43 H32 N4 -","- C172 H128 N16 -","4","1","","Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli","Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor","Chemical Science","2019","","","","","10.1039/C9SC01821B","","x-ray","1.54186","CuKα","","0.0872","0.0547","","","0.1415","0.1569","","","","","","1.035","","","","has coordinates","215594","2020-10-21","18:00:00",""
"1551170","16.8932","0.0006","36.282","0.0011","13.0079","0.0005","90","","103.787","0.004","90","","7743.1","0.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54 F3 N Ni P2 -","- C41 H54 F3 N Ni P2 -","- C328 H432 F24 N8 Ni8 P16 -","8","2","","Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto","Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C9SC02035G","","","0.71075","MoKα","","0.1149","0.0825","","","0.2121","0.2308","","","","","","1.05","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551171","13.2163","0.0003","19.2858","0.0003","17.1259","0.0003","90","","111.81","0.002","90","","4052.71","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 N Ni O P2 -","- C41 H61 N Ni O P2 -","- C164 H244 N4 Ni4 O4 P8 -","4","1","","Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto","Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C9SC02035G","","","1.54184","CuKα","","0.1161","0.1119","","","0.28","0.2828","","","","","","1.117","","","","has coordinates","215595","2020-10-21","18:00:00",""
"1551172","11.51562","0.00004","10.67077","0.00003","29.25903","0.00009","90","","90","","90","","3595.37","0.02","102","1","102","1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C24 H42 Cl5 F3 N4 O3 P2 S -","- C24 H42 Cl5 F3 N4 O3 P2 S -","- C96 H168 Cl20 F12 N16 O12 P8 S4 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0211","0.021","","","0.0579","0.0579","","","","","","1.05","","","","has coordinates","215615","2020-10-21","18:00:00",""
"1551173","14.4005","0.0003","15.3233","0.0003","17.8619","0.0003","90","","100.914","0.0017","90","","3870.17","0.13","100","0.4","100","0.4","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 F6 Fe N4 O10 P2 S2 -","- C28 H40 F6 Fe N4 O10 P2 S2 -","- C112 H160 F24 Fe4 N16 O40 P8 S8 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","0.71073","MoKα","","0.0553","0.0453","","","0.113","0.1186","","","","","","1.061","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551174","14.98968","0.00008","19.89396","0.00013","25.71449","0.00016","90","","91.6799","0.0005","90","","7664.87","0.08","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H85 F9 N4 O6 P4 Pt S2 -","- C78 H85 F9 N4 O6 P4 Pt S2 -","- C312 H340 F36 N16 O24 P16 Pt4 S8 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0358","0.0323","","","0.0846","0.0875","","","","","","1.021","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551175","13.83853","0.00013","17.90754","0.00017","27.296","0.0002","101.396","0.0007","103.333","0.0008","104.366","0.0008","6138.79","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C39.44 H66.01 Cl3.37 F9 N6.88 O9 P7 S3 -","- C39.4425 H66.0065 Cl3.371 F9 N6.8785 O9 P7 S3 -","- C157.77 H264.026 Cl13.484 F36 N27.514 O36 P28 S12 -","4","2","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0466","0.0449","","","0.1247","0.1262","","","","","","1.078","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551176","19.31294","0.00018","16.76136","0.00017","23.1443","0.0002","90","","105.425","0.001","90","","7222.19","0.12","104.6","0.7","104.6","0.7","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H85 F12 N10 O12 P4 S4 -","- C52 H85 F12 N10 O12 P4 S4 -","- C208 H340 F48 N40 O48 P16 S16 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0613","0.0559","","","0.1547","0.1621","","","","","","1.026","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551177","23.067","0.0002","12.77419","0.00014","16.5509","0.00019","90","","103.711","0.001","90","","4737.95","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 F9 N6 O9 P3 S3 -","- C36 H60 F9 N6 O9 P3 S3 -","- C144 H240 F36 N24 O36 P12 S12 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","0.71073","MoKα","","0.0517","0.0393","","","0.0962","0.1023","","","","","","1.026","","","","has coordinates","215615","2020-10-21","18:00:00",""
"1551178","15.0248","0.00018","19.8179","0.0003","25.712","0.0004","90","","91.309","0.0012","90","","7654.01","0.19","100.1","0.7","100.1","0.7","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H85 F9 N4 O6 P4 Pd S2 -","- C78 H85 F9 N4 O6 P4 Pd S2 -","- C312 H340 F36 N16 O24 P16 Pd4 S8 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0644","0.0501","","","0.1234","0.1328","","","","","","1.015","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551179","30.6491","0.0006","11.9065","0.0002","20.2311","0.0005","90","","91.738","0.002","90","","7379.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H85 Au Cl7 F9 N8 O9 P4 S3 -","- C49.5 H85 Au Cl7 F9 N8 O9 P4 S3 -","- C198 H340 Au4 Cl28 F36 N32 O36 P16 S12 -","4","1","","Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio","Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)","Chemical Science","2019","","","","","10.1039/C9SC01701A","","x-ray","1.54184","CuKα","","0.0646","0.0613","","","0.1647","0.1698","","","","","","1.039","","","","has coordinates,has disorder","215615","2020-10-21","18:00:00",""
"1551180","7.7277","0.0002","11.2221","0.0003","35.0781","0.0008","90","","90","","90","","3042.01","0.13","179.99","0.11","179.99","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pseudopaline","","- C32 H30 N4 O8 S -","- C32 H30 N4 O8 S -","- C128 H120 N16 O32 S4 -","4","1","","Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.","De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa","Chemical Science","2019","","","","","10.1039/C9SC01405E","","","0.71073","MoKα","","0.0391","0.0344","","","0.0881","0.0907","","","","","","1.017","","","","has coordinates","215616","2020-10-21","18:00:00",""
"1551181","14.5442","0.0002","14.2345","0.0002","14.746","0.0002","90","","106.978","0.002","90","","2919.8","0.08","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H53 Cl6 N5 O18 S2 -","- C51 H53 Cl6 N5 O18 S2 -","- C102 H106 Cl12 N10 O36 S4 -","2","1","","Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.","De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa","Chemical Science","2019","","","","","10.1039/C9SC01405E","","x-ray","0.71073","MoKα","","0.0611","0.0552","","","0.1421","0.1458","","","","","","1.039","","","","has coordinates","215616","2020-10-21","18:00:00",""
"1551182","11.2379","0.0005","13.1495","0.0007","20.9319","0.0011","93.009","0.007","93.589","0.007","92.791","0.007","3078.6","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 O2 Si2 -","- C38 H34 O2 Si2 -","- C152 H136 O8 Si8 -","4","2","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","0.71075","MoKα","","0.0983","0.0716","","","0.2386","0.2496","","","","","","1.628","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551183","16.808","0.0003","12.2273","0.0002","15.6775","0.0003","90","","100.516","0.0007","90","","3167.87","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 O4 Si2 -","- C38 H34 O4 Si2 -","- C152 H136 O16 Si8 -","4","1","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","1.54187","CuKα","","0.0822","0.0642","","","0.1727","0.2128","","","","","","1.178","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551184","10.8703","0.0006","19.3209","0.0008","19.3242","0.001","90","","99.584","0.007","90","","4001.9","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 O2 Si2 -","- C50 H42 O2 Si2 -","- C200 H168 O8 Si8 -","4","1","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","0.71075","MoKα","","0.1134","0.0621","","","0.1465","0.1699","","","","","","0.97","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551185","12.7536","0.0003","17.2029","0.0004","20.3205","0.0004","80.9256","0.0012","82.2909","0.0011","71.3225","0.0011","4153.94","0.16","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C104 H100 O4 Si4 -","- C104 H100 O4 Si4 -","- C208 H200 O8 Si8 -","2","1","","Mitake, Akihito; Nagai, Rikako; Sekine, Ayato; Takano, Hideaki; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Consecutive HDDA and TDDA reactions of silicon-tethered tetraynes for the synthesis of dibenzosilole-fused polycyclic compounds and their unique reactivity","Chemical Science","2019","","","","","10.1039/C9SC00960D","","","1.54187","CuKα","","0.3178","0.1521","","","0.3204","0.4577","","","","","","1.006","","","","has coordinates","215617","2020-10-21","18:00:00",""
"1551187","13.87","0.004","14.04","0.004","33.318","0.01","100.25","0.005","91.957","0.005","119.364","0.005","5508","3","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","tetraphenyl phosphonium titanium tris(dithiocatecholate)","","- C66 H52 P2 S6 Ti -","- C66 H52 P2 S6 Ti -","- C264 H208 P8 S24 Ti4 -","4","2","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.1401","0.1259","","","0.3289","0.337","","","","","","1.176","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551188","25.121","0.003","13.7709","0.0016","17.8697","0.0019","90","","113.957","0.006","90","","5649.3","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetraphenyl phosphonium titanium tis(diselenocatecholate)","","- C66 H52 P2 Se6 V -","- C66 H52 P2 Se6 V -","- C264 H208 P8 Se24 V4 -","4","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.0566","0.0375","","","0.083","0.09","","","","","","1.035","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551189","11.166","0.0014","14.8566","0.0019","14.9901","0.0019","90","","94.939","0.002","90","","2477.5","0.5","100","","99.91","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenyl phosphonium nickel bis(diselenocatecholate)","","- C60 H48 Ni P2 Se4 -","- C60 H48 Ni P2 Se4 -","- C120 H96 Ni2 P4 Se8 -","2","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","x-ray","0.71073","MoKα","","0.0345","0.0244","","","0.0556","0.0603","","","","","","1.062","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551190","25.191","0.003","13.8608","0.0013","17.8294","0.0018","90","","114.114","0.01","90","","5682.2","1.1","100","","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetraphenyl phosphonium titanium(IV) tris(diselenocatecholate)","","- C66 H52 P2 Se6 Ti -","- C66 H52 P2 Se6 Ti -","- C264 H208 P8 Se24 Ti4 -","4","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","x-ray","0.71073","MoKα","","0.032","0.0248","","","0.0578","0.0604","","","","","","1.076","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551191","11.1972","0.0009","15.0275","0.0012","15.2359","0.0012","90","","94.517","0.002","90","","2555.7","0.4","250.04","","250.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenyl phosphonium copper bis(diselenocatecholate)","","- C60 H48 Cu P2 Se4 -","- C60 H48 Cu P2 Se4 -","- C120 H96 Cu2 P4 Se8 -","2","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.0398","0.0297","","","0.0721","0.0779","","","","","","1.029","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551192","11.1212","0.0006","14.6404","0.0008","14.8691","0.0008","90","","95.168","0.003","90","","2411.1","0.2","100","","99.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraphenyl phosphonium nickel bis(dithiocatecholate)","","- C60 H48 Ni P2 S4 -","- C60 H48 Ni P2 S4 -","- C120 H96 Ni2 P4 S8 -","2","0.5","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","x-ray","0.71073","MoKα","","0.0562","0.0346","","","0.0687","0.0764","","","","","","1.034","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551193","13.7448","0.0006","14.0207","0.0006","33.4597","0.0015","77.929","0.002","88.111","0.002","60.715","0.002","5481.4","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetraphenyl phosphonium vanadium tris-dithiocatechol","","- C66 H52 P2 S6 V -","- C66 H52 P2 S6 V -","- C264 H208 P8 S24 V4 -","4","2","","Fataftah, Majed S.; Krzyaniak, Matthew D.; Vlaisavljevich, Bess; Wasielewski, Michael R.; Zadrozny, Joseph; Freedman, Danna","Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates","Chemical Science","2019","","","","","10.1039/C9SC00074G","","","0.71073","MoKα","","0.0813","0.0497","","","0.0979","0.1082","","","","","","1.012","","","","has coordinates","215644","2020-10-21","18:00:00",""
"1551194","8.6061","0.0002","7.582","0.0001","7.7252","0.0002","90","","105.88","0.0011","90","","484.843","0.018","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxidotellurate(IV) monohydrate","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","HB4298","Weil, Matthias","Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms","IUCrData","2019","4","5","","","10.1107/S2414314619007703","","","0.71069","MoKα","","0.029","0.0199","","","0.0388","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","215655","2020-10-21","18:00:00",""
"1551195","16.35","0.004","7.9427","0.0017","14.551","0.003","90","","102.037","0.004","90","","1848.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N2 O Ru -","- C20 H23 Cl N2 O Ru -","- C80 H92 Cl4 N8 O4 Ru4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan","Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.","Faraday Discussions","2019","","","","","10.1039/C9FD00063A","","","0.71073","MoKα","","0.0607","0.0427","","","0.0748","0.0798","","","","","","0.9","","","","has coordinates","215676","2020-10-21","18:00:00",""
"1551196","7.8975","0.0016","12.039","0.002","18.458","0.004","90","","98.777","0.004","90","","1734.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl F N2 Ru -","- C19 H20 Cl F N2 Ru -","- C76 H80 Cl4 F4 N8 Ru4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan","Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.","Faraday Discussions","2019","","","","","10.1039/C9FD00063A","","","0.71073","MoKα","","0.0635","0.0452","","","0.1032","0.1094","","","","","","1.006","","","","has coordinates","215676","2020-10-21","18:00:00",""
"1551197","7.9136","0.0017","10.349","0.002","11.554","0.003","96.208","0.004","95.953","0.004","91.935","0.004","934.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl F3 N2 Ru -","- C20 H20 Cl F3 N2 Ru -","- C40 H40 Cl2 F6 N4 Ru2 -","2","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan","Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.","Faraday Discussions","2019","","","","","10.1039/C9FD00063A","","","0.71073","MoKα","","0.0467","0.0388","","","0.0858","0.0883","","","","","","0.996","","","","has coordinates,has disorder","215676","2020-10-21","18:00:00",""
"1551198","16.227","0.003","7.9265","0.0014","14.503","0.003","90","","111.776","0.003","90","","1732.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl F N2 Ru -","- C19 H20 Cl F N2 Ru -","- C76 H80 Cl4 F4 N8 Ru4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan","Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.","Faraday Discussions","2019","","","","","10.1039/C9FD00063A","","","0.71073","MoKα","","0.0488","0.0375","","","0.0777","0.0814","","","","","","0.963","","","","has coordinates","215676","2020-10-21","18:00:00",""
"1551199","7.846","0.004","10.387","0.005","11.278","0.005","98.23","0.01","96.173","0.009","91.436","0.01","903.6","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 Cl N3 O2 Ru -","- C19 H20 Cl N3 O2 Ru -","- C38 H40 Cl2 N6 O4 Ru2 -","2","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan","Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control.","Faraday Discussions","2019","","","","","10.1039/C9FD00063A","","","0.71073","MoKα","","0.1077","0.07","","","0.1286","0.1415","","","","","","0.935","","","","has coordinates","215676","2020-10-21","18:00:00",""
"1551200","11.0922","0.0013","11.6999","0.0014","15.947","0.0019","72.262","0.001","71.267","0.001","81.633","0.001","1864.1","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H54 Ni O3 P2 -","- C39 H54 Ni O3 P2 -","- C78 H108 Ni2 O6 P4 -","2","1","","Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.","Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles","Polymer Chemistry","2019","10","27","3718","","10.1039/C9PY00610A","","","0.71073","MoKα","","0.0556","0.0466","","","0.159","0.2051","","","","","","1.085","","","","has coordinates,has disorder","225335","2020-10-21","18:00:00",""
"1551201","21.7805","0.0017","17.3222","0.0014","19.7901","0.0016","90","","102.54","0.001","90","","7288.4","1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H62 B F24 Na Ni O7 P2 -","- C70 H62 B F24 Na Ni O7 P2 -","- C280 H248 B4 F96 Na4 Ni4 O28 P8 -","4","1","","Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.","Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles","Polymer Chemistry","2019","10","27","3718","","10.1039/C9PY00610A","","","0.71073","MoKα","","0.0779","0.0666","","","0.1861","0.2007","","","","","","1.053","","","","has coordinates,has disorder","225335","2020-10-21","18:00:00",""
"1551202","9.8763","0.0006","13.0177","0.0009","10.6775","0.0007","90","","100.843","0.0019","90","","1348.26","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Magnesium isonicotinate","'Magnesium 4-pyridine carboxylate'","","- C27 H23 Mg2 N5 O9 -","- C27 H23 Mg2 N5 O9 -","- C54 H46 Mg4 N10 O18 -","2","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.0514","0.0502","","","0.1362","0.138","","","","","","1.044","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551203","11.4487","0.0008","12.36","0.0008","12.3919","0.0008","90","","117.201","0.003","90","","1559.6","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper Pyridine carboxylate","'Copper Pyridine carboxylate'","","- C16 H16 Cu N2 O5 -","- C16 H16 Cu N2 O5 -","- C64 H64 Cu4 N8 O20 -","4","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.1293","0.0757","","","0.1785","0.2193","","","","","","0.97","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551204","12.391","0.014","23.18","0.02","29.92","0.03","90","","90.96","0.03","90","","8593","15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H142 N7 Na O7 Si12 Th2 -","- C52 H142 N7 Na O7 Si12 Th2 -","- C208 H568 N28 Na4 O28 Si48 Th8 -","4","1","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.232","0.119","","","0.1927","0.2259","","","","","","1.085","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1551205","11.893","0.003","14.617","0.004","14.62","0.004","74.546","0.015","71.051","0.015","71.238","0.014","2238.5","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H148 K N7 O8 Si12 Th2 -","- C56 H148 K N7 O8 Si12 Th2 -","- C56 H148 K N7 O8 Si12 Th2 -","1","0.5","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.1177","0.0804","","","0.1803","0.195","","","","","","1.142","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551206","18.497","0.006","18.497","0.006","16.973","0.004","90","","90","","120","","5029","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C18 H56 N4 Si6 Th -","- C18 H9 N4.0002 Si6 Th -","- C108 H54 N24.0012 Si36 Th6 -","6","0.166667","","Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.","Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride","Chemical Science","2019","10","26","6431","6436","10.1039/C9SC01960J","","","0.71073","MoKα","","0.101","0.0714","","","0.1843","0.1935","","","","","","1.406","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551207","34.673","0.006","12.09","0.002","17.728","0.003","90","","119.214","0.002","90","","6486.2","1.9","200","2","200","2","","","","","","","no","4","C 1 2/c 1","-C 2yc","15","C18NMeCarbacage","C18NMeCarbaCage","","- C67 H117 N Si2 -","- C67 H117 N Si2 -","- C268 H468 N4 Si8 -","4","0.5","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.1726","0.1083","","","0.3444","0.3993","","","","","","1.291","","","","has coordinates,has disorder","223574","2020-10-21","18:00:00",""
"1551208","15.104","0.007","6.317","0.004","20.8662","0.001","90","","96.345","0.011","90","","1978.7","1.6","100","2","100","2","","","","","","","no","4","P 1 21/n 1","-P 2yn","14","TMS2MeCarba","TMS2MeCarba","","- C19 H27 N Si2 -","- C19 H27 N Si2 -","- C76 H108 N4 Si8 -","4","1","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.0605","0.0487","","","0.1114","0.114","","","","","","0.889","","","","has coordinates","223574","2020-10-21","18:00:00",""
"1551209","9.0637","0.0003","14.0668","0.0006","16.2694","0.0006","90","","93.484","0.003","90","","2070.47","0.14","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B2 Mg2 N4 O6 -","- C44 H60 B2 Mg2 N4 O6 -","- C88 H120 B4 Mg4 N8 O12 -","2","0.5","","Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng","Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9067","9071","10.1039/c9dt02118c","","x-ray","0.71073","MoKα","","0.0849","0.0646","","","0.1752","0.1885","","","","","","1.056","","","","has coordinates","224213","2020-10-21","18:00:00",""
"1551210","12.5167","0.0007","23.8825","0.001","14.1982","0.0008","90","","112.347","0.006","90","","3925.5","0.4","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H120 B2 Ca2 N22 O6 P6 -","- C56 H120 B2 Ca2 N22 O6 P6 -","- C112 H240 B4 Ca4 N44 O12 P12 -","2","0.5","","Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng","Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9067","9071","10.1039/c9dt02118c","","x-ray","0.71073","MoKα","","0.0986","0.0871","","","0.2293","0.2398","","","","","","1.026","","","","has coordinates,has disorder","224213","2020-10-21","18:00:00",""
"1551211","17.0218","0.0005","17.4203","0.0006","21.4191","0.0007","90","","100.718","0.003","90","","6240.5","0.4","180","0.1","180","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H94 B2 N16 O5 P4 Sr -","- C48 H94 B2 N16 O5 P4 Sr -","- C192 H376 B8 N64 O20 P16 Sr4 -","4","0.5","","Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng","Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9067","9071","10.1039/c9dt02118c","","x-ray","0.71073","MoKα","","0.0363","0.0314","","","0.0829","0.086","","","","","","1.048","","","","has coordinates","224213","2020-10-21","18:00:00",""
"1551212","11.2144","0.0011","29.474","0.003","11.6873","0.0011","90","","101.772","0.009","90","","3781.8","0.7","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 B2 Mg N4 O5 -","- C40 H54 B2 Mg N4 O5 -","- C160 H216 B8 Mg4 N16 O20 -","4","1","","Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng","Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9067","9071","10.1039/c9dt02118c","","x-ray","0.71073","MoKα","","0.0713","0.059","","","0.1522","0.1598","","","","","","1.041","","","","has coordinates","224213","2020-10-21","18:00:00",""
"1551213","14.3034","0.0002","23.7498","0.0004","23.2747","0.0004","90","","99.702","0.002","90","","7793.4","0.2","99.8","0.5","99.8","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H120 B2 N22 O6 P6 Sr2 -","- C56 H120 B2 N22 O6 P6 Sr2 -","- C224 H480 B8 N88 O24 P24 Sr8 -","4","1","","Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng","Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9067","9071","10.1039/c9dt02118c","","x-ray","0.71073","MoKα","","0.0827","0.0636","","","0.1605","0.1742","","","","","","1.022","","","","has coordinates,has disorder","224213","2020-10-21","18:00:00",""
"1551214","22.1723","0.0009","14.0207","0.0005","20.0498","0.0008","90","","106.43","0.004","90","","5978.4","0.4","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H86 B2 Ca N16 O4 P4 -","- C44 H86 B2 Ca N16 O4 P4 -","- C176 H344 B8 Ca4 N64 O16 P16 -","4","1","","Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng","Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9067","9071","10.1039/c9dt02118c","","x-ray","0.71073","MoKα","","0.1004","0.0826","","","0.2082","0.2216","","","","","","1.036","","","","has coordinates,has disorder","224213","2020-10-21","18:00:00",""
"1551215","10.9245","0.0002","23.0505","0.0006","23.9209","0.0006","90","","92.241","0.002","90","","6019","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H170 N4 O36 Ti10 -","- C82 H168 N4 O36 Ti10 -","- C164 H336 N8 O72 Ti20 -","2","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","1.54178","CuKα","","0.0955","0.0691","","","0.2097","0.2353","","","","","","1.032","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551216","19.4857","0.0004","26.4883","0.0007","22.5872","0.0005","90","","94.059","0.002","90","","11629","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H172 N4 O36 Ti10 -","- C86 H170 N4 O36 Ti10 -","- C344 H680 N16 O144 Ti40 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","0.71073","MoKα","","0.1024","0.0771","","","0.1818","0.1911","","","","","","1.094","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551217","11.8011","0.0004","13.8482","0.0007","18.9934","0.0007","82.343","0.004","85.367","0.003","70.16","0.004","2891.6","0.2","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C82 H169 N5 O36 Ti10 -","- C82 H162 N5 O38 Ti10 -","- C82 H162 N5 O38 Ti10 -","1","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","1.54178","CuKα","","0.1234","0.0991","","","0.2935","0.337","","","","","","0.989","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551218","12.2992","0.001","14.3904","0.0015","19.0996","0.0017","85.923","0.008","85.061","0.007","66.484","0.009","3085.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H171 N5 O36 Ti10 -","- C82 H170 N5 O36 Ti10 -","- C82 H170 N5 O36 Ti10 -","1","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","1.54178","CuKα","","0.1869","0.1334","","","0.376","0.447","","","","","","1.065","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551219","15.4097","0.0007","15.8879","0.0006","17.9294","0.0007","109.617","0.003","96.107","0.003","95.889","0.003","4066.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H220 N4 O57 Ti16 -","- C108 H204 N4 O56 Ti16 -","- C108 H204 N4 O56 Ti16 -","1","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","0.71073","MoKα","","0.1695","0.1228","","","0.3639","0.419","","","","","","1.074","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551220","22.1405","0.0013","26.715","0.001","25.288","0.003","90","","120.487","0.005","90","","12889.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C196 H358 N12 O72 Ti20 -","- C196 N12 O72 Ti20 -","- C392 N24 O144 Ti40 -","2","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","1.54178","CuKα","","0.287","0.149","","","0.3694","0.4859","","","","","","1.087","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551221","13.1346","0.0004","23.0388","0.001","24.02","0.0011","63.957","0.004","78.283","0.003","82.357","0.003","6386.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H174 N4 O38 S2 Ti10 -","- C86 H167 N4 O38 S2 Ti10 -","- C172 H334 N8 O76 S4 Ti20 -","2","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","0.71073","MoKα","","0.2051","0.1219","","","0.3269","0.4041","","","","","","1.174","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551222","14.7714","0.0007","15.112","0.0007","16.858","0.0007","93.516","0.004","111.982","0.004","100.404","0.004","3397.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H198 N4 O46 Ti12 -","- C90 H180 N4 O44 Ti12 -","- C90 H180 N4 O44 Ti12 -","1","0.5","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian","Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9916","9919","10.1039/c9dt02032b","","","0.71073","MoKα","","0.1663","0.1115","","","0.3081","0.3594","","","","","","1.09","","","","has coordinates","223870","2020-10-21","18:00:00",""
"1551223","14.2633","0.0006","41.437","0.001","13.5049","0.0005","90","","111.638","0.004","90","","7419.3","0.5","160","0.14","160","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H170 Cl2 Co3 N30 O38 Ru4 -","- C122 H170 Cl2 Co3 N30 O38 Ru4 -","- C244 H340 Cl4 Co6 N60 O76 Ru8 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","x-ray","0.71073","MoKα","","0.0869","0.0688","","","0.1641","0.1784","","","","","","1.094","","","","has coordinates,has disorder","223896","2020-10-21","18:00:00",""
"1551224","9.6118","0.0006","21.7897","0.0012","22.9503","0.0017","90","","97.831","0.005","90","","4761.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H55 As N4 O12.5 Ru -","- C44 H52.6 As N4 O12.5 Ru -","- C176 H210.4 As4 N16 O50 Ru4 -","4","1","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.1235","0.0539","","","0.1263","0.1616","","","","","","0.739","","","","has coordinates,has disorder","223896","2020-10-21","18:00:00",""
"1551225","13.4193","0.0006","41.433","0.002","14.2634","0.0007","90","","111.803","0.003","90","","7363.2","0.6","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C122 H170 Cl2 N30 Ni3 O38 Ru4 -","- C122 H170 Cl2 N30 Ni3 O38 Ru4 -","- C244 H340 Cl4 N60 Ni6 O76 Ru8 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.1896","0.0648","","","0.1065","0.147","","","","","","0.884","","","","has coordinates,has disorder","223896","2020-10-21","18:00:00",""
"1551226","20.2057","0.0003","10.324","0.0004","25.4271","0.0005","90","","108.911","0.006","90","","5017.9","0.3","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C87 H118 Cl Co2 N22 O20 Ru3 -","- C87 H118 Cl Co2 N22 O20 Ru3 -","- C174 H236 Cl2 Co4 N44 O40 Ru6 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.0809","0.0415","","","0.0905","0.1027","","","","","","0.913","","","","has coordinates","223896","2020-10-21","18:00:00",""
"1551227","14.1723","0.0004","41.9114","0.0012","13.5236","0.0004","90","","111.873","0.003","90","","7454.5","0.4","159.95","0.1","159.95","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C122 H170 Cl2 Mn3 N30 O38 Ru4 -","- C122 H170 Cl2 Mn3 N30 O38 Ru4 -","- C244 H340 Cl4 Mn6 N60 O76 Ru8 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.0897","0.0668","","","0.1159","0.124","","","","","","1.114","","","","has coordinates,has disorder","223896","2020-10-21","18:00:00",""
"1551228","20.2861","0.0003","10.436","0.0004","25.5399","0.0005","90","","109.437","0.006","90","","5098.8","0.3","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C87 H118 Cl Mn2 N22 O20 Ru3 -","- C87 H118 Cl Mn2 N22 O20 Ru3 -","- C174 H236 Cl2 Mn4 N44 O40 Ru6 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.1482","0.0617","","","0.1279","0.1613","","","","","","0.918","","","","has coordinates","223896","2020-10-21","18:00:00",""
"1551229","14.3645","0.0002","15.7367","0.0002","16.4046","0.0002","90","","115.079","0.002","90","","3358.66","0.09","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34.55 B Cl N6 O3.55 P0.775 W -","- C24 H30 B Cl N6 O3.55 P0.775 W -","- C96 H120 B4 Cl4 N24 O14.2 P3.1 W4 -","4","1","","Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.","Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10628","10641","10.1039/c9dt01838g","","","1.54184","CuKα","","0.0454","0.0441","","","0.1191","0.1209","","","","","","1.045","","","","has coordinates,has disorder","223769","2020-10-21","18:00:00",""
"1551230","11.0365","0.0004","11.7052","0.0003","12.2565","0.0003","81.005","0.002","77.156","0.003","75.95","0.003","1488.75","0.08","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H39 B N7 O2 P W -","- C25 H39 B N7 O2 P W -","- C50 H78 B2 N14 O4 P2 W2 -","2","1","","Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.","Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10628","10641","10.1039/c9dt01838g","","","1.54184","CuKα","","0.0408","0.0392","","","0.1013","0.1029","","","","","","1.025","","","","has coordinates","223769","2020-10-21","18:00:00",""
"1551231","10.8899","0.0004","11.6332","0.0004","15.5746","0.0006","83.516","0.003","84.985","0.003","77.955","0.003","1913.13","0.12","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 B N8 O2 P W -","- C36 H46 B N8 O2 P W -","- C72 H92 B2 N16 O4 P2 W2 -","2","1","","Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.","Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10628","10641","10.1039/c9dt01838g","","","0.71073","MoKα","","0.037","0.0304","","","0.0608","0.0644","","","","","","1.049","","","","has coordinates","223769","2020-10-21","18:00:00",""
"1551232","10.6921","0.0002","10.6921","0.0002","25.0214","0.0002","90","","90","","120","","2477.24","0.07","150","0.1","150","0.1","","","","","","","","7","P 31","P 31","144","","","","- C30 H41 B N7 O2 P W -","- C30 H41 B N7 O2 P W -","- C90 H123 B3 N21 O6 P3 W3 -","3","1","","Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.","Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10628","10641","10.1039/c9dt01838g","","","1.54184","CuKα","","0.0354","0.0353","","","0.0906","0.0906","","","","","","1.047","","","","has coordinates","223769","2020-10-21","18:00:00",""
"1551233","24.5458","0.0005","13.8577","0.0003","15.7675","0.0004","90","","90.92","0.002","90","","5362.6","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 B2 Cl2 N13 O4 P W2 -","- C43 H60 B2 Cl2 N13 O4 P W2 -","- C172 H240 B8 Cl8 N52 O16 P4 W8 -","4","1","","Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.","Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10628","10641","10.1039/c9dt01838g","","","0.71073","MoKα","","0.0408","0.0289","","","0.058","0.0623","","","","","","1.03","","","","has coordinates,has disorder","223769","2020-10-21","18:00:00",""
"1551234","17.7308","0.0007","19.4055","0.0004","19.847","0.0004","103.669","0.002","101.741","0.003","96.955","0.003","6393.1","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","[Co7].3.5H2O.14MeOH","","","- C98 H157 Co7 N13 O60.5 -","- C84 H94 Co7 N12 O40 -","- C168 H188 Co14 N24 O80 -","2","1","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","1.54178","CuKα","","0.0864","0.0621","","","0.1752","0.1871","","","","","","1.093","","","","has coordinates","223856","2020-10-21","18:00:00",""
"1551235","10.0272","0.0003","10.6948","0.0003","10.8905","0.0004","76.76","0.003","65.622","0.003","69.977","0.003","994.2","0.06","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","[Fe2]","","","- C36 H38 Cl2 Fe2 N6 O12 -","- C36 H38 Cl2 Fe2 N6 O12 -","- C36 H38 Cl2 Fe2 N6 O12 -","1","0.5","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","0.71073","MoKα","","0.0721","0.0613","","","0.1406","0.1719","","","","","","1.17","","","","has coordinates","223856","2020-10-21","18:00:00",""
"1551236","11.464","0.002","12.74","0.003","14.419","0.003","109.97","0.03","97.74","0.03","106.55","0.03","1833.3","0.9","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","[Cu5].3H2O.4MeOH","","","- C66 H86 Cu5 N10 O31 -","- C62 H62 Cu5 N10 O24 -","- C62 H62 Cu5 N10 O24 -","1","0.5","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","0.71073","MoKα","","0.0876","0.0775","","","0.2141","0.2263","","","","","","1.071","","","","has coordinates,has disorder","223856","2020-10-21","18:00:00",""
"1551237","12.2451","0.0004","10.0658","0.0002","10.9339","0.0003","90","","114.906","0.004","90","","1222.34","0.07","293","0.2","293","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cu N3 O8 -","- C8 H13 Cu N3 O8 -","- C32 H52 Cu4 N12 O32 -","4","1","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","0.71073","MoKα","","0.023","0.0212","","","0.0547","0.0555","","","","","","1.066","","","","has coordinates","223856","2020-10-21","18:00:00",""
"1551238","14.3459","0.0004","10.86","0.0003","6.3652","0.0002","90","","90","","90","","991.68","0.05","100","0.2","100","0.2","","","","","","","","5","P c c 2","P 2 -2c","27","[Zn1]n","","","- C18 H26 N4 O6 Zn -","- C18 H26 N4 O6 Zn -","- C36 H52 N8 O12 Zn2 -","2","0.5","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","0.71075","MoKα","","0.0462","0.0457","","","0.116","0.1165","","","","","","1.044","","","","has coordinates","223856","2020-10-21","18:00:00",""
"1551239","11.3704","0.0006","13.3009","0.0007","14.8558","0.0008","91.179","0.004","106.814","0.005","108.726","0.005","2020.8","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","[Cu5].3H2O","","","- C32 H38 Cu5 N10 O17 -","- C32 H32 Cu5 N10 O17 -","- C64 H64 Cu10 N20 O34 -","2","1","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","0.71073","MoKα","","0.0636","0.0494","","","0.1211","0.1287","","","","","","1.076","","","","has coordinates","223856","2020-10-21","18:00:00",""
"1551240","3.6987","0.0001","12.6213","0.0004","15.7971","0.0005","90","","93.451","0.003","90","","736.11","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu1]","","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","","Fugu, Mohammed B.; Ellaby, Rebecca J.; O'Connor, Helen M; Pitak, Mateusz B.; Klooster, Wim; Horton, Peter N.; Coles, Simon J.; Al-Mashhadani, Mohammed H; Perepichka, Igor F.; Brechin, Euan K.; Jones, Leigh F.","Mono- and ditopic hydroxamate ligands towards discrete and extended network architectures.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10180","10190","10.1039/c9dt01531k","","","0.71073","MoKα","","0.0257","0.0254","","","0.0856","0.0859","","","","","","1.192","","","","has coordinates","223856","2020-10-21","18:00:00",""
"1551241","16.375","0.003","12.327","0.003","17.399","0.004","90","","102.25","0.03","90","","3432.1","1.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 B2 F8 Fe N8 -","- C26 H20 B2 F8 Fe N8 -","- C104 H80 B8 F32 Fe4 N32 -","4","0.5","","Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan","Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution","New Journal of Chemistry","2019","43","25","9776","","10.1039/C9NJ01622H","","","0.71073","MoKα","","0.1046","0.0587","","","0.157","0.1812","","","","","","1.037","","","","has coordinates","224857","2020-10-21","18:00:00",""
"1551242","21.699","0.009","12.54","0.004","15.873","0.008","90","","119.63","0.02","90","","3754","3","166","2","166","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 B4 Co2 F16 N16 O5 -","- C60 H66 B4 Co2 F16 N16 O5 -","- C120 H132 B8 Co4 F32 N32 O10 -","2","0.25","","Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan","Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution","New Journal of Chemistry","2019","43","25","9776","","10.1039/C9NJ01622H","","","0.71073","MoKα","","0.0692","0.054","","","0.1564","0.1683","","","","","","1.038","","","","has coordinates,has disorder","224857","2020-10-21","18:00:00",""
"1551243","12.1427","0.0007","15.5443","0.0009","19.5164","0.0012","90","","106.57","0.002","90","","3530.7","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B2 Co F8 N6 O -","- C31 H25 B2 Co F8 N6 O -","- C124 H100 B8 Co4 F32 N24 O4 -","4","1","","Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan","Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution","New Journal of Chemistry","2019","43","25","9776","","10.1039/C9NJ01622H","","","0.71073","MoKα","","0.084","0.062","","","0.1709","0.1892","","","","","","0.971","","","","has coordinates,has disorder","224857","2020-10-21","18:00:00",""
"1551244","7.0848","0.0008","26.422","0.003","6.2664","0.0007","90","","90","","90","","1173","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Iodo-2-[(phenylimino)methyl]phenol","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","TK4058","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(E)-4-Iodo-2-[(phenylimino)methyl]phenol","IUCrData","2019","4","6","","","10.1107/S2414314619007880","","","0.71073","MoKα","","0.0806","0.0802","","","0.2228","0.2233","","","","","","1.182","","","","has coordinates,has Fobs","215715","2020-10-21","18:00:00",""
"1551245","15.7324","0.0016","13.8338","0.0014","19.0436","0.0019","90","","110.691","0.001","90","","3877.3","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H59 Cl Hf N2 O4 -","- C38 H59 Cl Hf N2 O4 -","- C152 H236 Cl4 Hf4 N8 O16 -","4","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0464","0.0378","","","0.097","0.1006","","","","","","1.079","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551246","15.031","0.0012","15.1732","0.0012","20.3432","0.0017","109.719","0.001","93.383","0.001","116.05","0.001","3804.3","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H90 Cl3 Hf N3 O4 P2 -","- C75 H90 Cl3 Hf N3 O4 P2 -","- C150 H180 Cl6 Hf2 N6 O8 P4 -","2","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0647","0.0531","","","0.1391","0.1461","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551247","16.5953","0.0006","14.0285","0.0005","17.4961","0.0007","90","","96.24","0.001","90","","4049.1","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Cl2 Hf N2 O4 -","- C39 H62 Cl2 Hf N2 O4 -","- C156 H248 Cl8 Hf4 N8 O16 -","4","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0442","0.0352","","","0.0895","0.095","","","","","","1.071","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551248","10.3034","0.0004","11.7652","0.0009","20.357","0.0007","90","","90","","90","","2467.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18.5 H25.5 N2.5 O9.5 Zn2 -","- C14 H15 N O8 Zn2 -","- C56 H60 N4 O32 Zn8 -","4","1","","Slater, Benjamin; Wong, So-On; Duckworth, Andrew; White, Andrew J. P.; Hill, Matthew R.; Ladewig, Bradley P.","Upcycling a plastic cup: one-pot synthesis of lactate containing metal organic frameworks from polylactic acid","Chemical Communications","2019","55","51","7319","7322","10.1039/C9CC02861G","","","1.54184","CuKα","","0.0514","0.0441","","","0.1155","0.1209","","","","","","1.048","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551249","6.9739","0.0006","16.0078","0.0017","7.5851","0.0008","90","","98.787","0.009","90","","836.84","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F2 N O S -","- C8 H5 F2 N O S -","- C32 H20 F8 N4 O4 S4 -","4","1","","Deng, Shuilin; Chen, Haohua; Ma, Xingxing; Zhou, Yao; Yang, Kai; Lan, Yu; Song, Qiuling","S8-Catalyzed Triple Cleavage of Bromodifluoro Compounds for the Assembly of N-containing Heterocycles","Chemical Science","2019","","","","","10.1039/C9SC01333D","","x-ray","0.71073","MoKα","","0.1044","0.0894","","","0.2058","0.2188","","","","","","1.396","","","","has coordinates","215719","2020-10-21","18:00:00",""
"1551250","6.3315","0.0008","6.8983","0.0009","16.78","0.002","97.492","0.01","98.979","0.01","100.301","0.011","702.73","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Deng, Shuilin; Chen, Haohua; Ma, Xingxing; Zhou, Yao; Yang, Kai; Lan, Yu; Song, Qiuling","S8-Catalyzed Triple Cleavage of Bromodifluoro Compounds for the Assembly of N-containing Heterocycles","Chemical Science","2019","","","","","10.1039/C9SC01333D","","x-ray","0.71073","MoKα","","0.0709","0.0492","","","0.1319","0.1539","","","","","","0.9286","","","","has coordinates","215719","2020-10-21","18:00:00",""
"1551251","8.4561","0.0008","18.2584","0.0011","9.6555","0.0007","90","","99.111","0.007","90","","1472","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Deng, Shuilin; Chen, Haohua; Ma, Xingxing; Zhou, Yao; Yang, Kai; Lan, Yu; Song, Qiuling","S8-Catalyzed Triple Cleavage of Bromodifluoro Compounds for the Assembly of N-containing Heterocycles","Chemical Science","2019","","","","","10.1039/C9SC01333D","","x-ray","0.71073","MoKα","","0.0694","0.0471","","","0.1362","0.1584","","","","","","0.9981","","","","has coordinates","215719","2020-10-21","18:00:00",""
"1551252","23.483","0.002","8.4119","0.0003","15.9818","0.0015","90","","134.61","0.017","90","","2247.5","0.7","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-Bromo-8-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)difluoro-λ3-iodane","","- C10 H9 Br F3 I -","- C10 H9 Br F3 I -","- C80 H72 Br8 F24 I8 -","8","1","","Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio","Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides","Chemical Science","2019","","","","","10.1039/C9SC02162K","","x-ray","1.54184","CuKα","","0.0322","0.031","","","0.0841","0.0848","","","","","","1.109","","","","has coordinates,has disorder","215720","2020-10-21","18:00:00",""
"1551253","15.269","0.0011","10.8007","0.0009","13.777","0.0011","90","","116.726","0.0014","90","","2029.3","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trifluoro-3,3-dimethyl-1,3-dihydro-1λ5-benzo[d][1,2]iodaoxole","","- C9 H10 F3 I O -","- C9 H10 F3 I O -","- C72 H80 F24 I8 O8 -","8","2","","Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio","Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides","Chemical Science","2019","","","","","10.1039/C9SC02162K","","x-ray","0.71073","MoKα","","0.0676","0.0464","","","0.0842","0.0909","","","","","","0.989","","","","has coordinates","215720","2020-10-21","18:00:00",""
"1551254","8.9083","0.0001","6.0364","0.0001","14.1452","0.0002","90","","91.627","0.001","90","","760.338","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrafluoro(4-fluorophenyl)-λ5-iodane","","- C6 H4 F5 I -","- C6 H4 F5 I -","- C24 H16 F20 I4 -","4","1","","Häfliger, Joel; Pitts, Cody Ross; Bornemann, Dustin; Käser, Roland; Santschi, Nico; Charpentier, Julie; Otth, Elisabeth; Trapp, Nils; Verel, René; Lüthi, Hans Peter; Togni, Antonio","Substituent-controlled, Mild Oxidative Fluorination of Iodoarenes: Synthesis and Structural Study of Aryl I(III)- and I(V)-Fluorides","Chemical Science","2019","","","","","10.1039/C9SC02162K","","x-ray","1.54184","CuKα","","0.0278","0.0276","","","0.0784","0.0787","","","","","","1.141","","","","has coordinates","215720","2020-10-21","18:00:00",""
"1551256","6.6329","0.0004","9.5423","0.0006","13.8849","0.0009","85.573","0.002","89.691","0.002","87.1","0.002","875.07","0.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","bis(3-hydroxy-1-methyl-4-pyridinecarboxylato)-monoaqua-copper(II) trihydrate","","- C14 H20 Cu N2 O10 -","- C14 H20 Cu N2 O10 -","- C28 H40 Cu2 N4 O20 -","2","1","","May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.","Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes","New Journal of Chemistry","2019","43","27","10699","","10.1039/C9NJ01469A","","","0.71073","MoKα","","0.0341","0.0307","","","0.0789","0.0826","","","","","","1.12","","","","has coordinates","224716","2020-10-21","18:00:00",""
"1551257","12.1956","0.0004","12.4877","0.0004","12.6185","0.0005","98.978","0.001","91.071","0.001","113.119","0.001","1738.97","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","""'bis(μ2-4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylato)-bis(μ2-4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylato)-bis(μ2-4-hydroxy-1-(2-hydroxyethyl)-6-methyl-3-pyridinecarboxylato)-tri-copper(II) nonahydrate'""","","- C54 H88 Cu3 N6 O42 -","- C54 H88 Cu3 N6 O42 -","- C54 H88 Cu3 N6 O42 -","1","0.5","","May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.","Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes","New Journal of Chemistry","2019","43","27","10699","","10.1039/C9NJ01469A","","","0.71073","MoKα","","0.0508","0.0415","","","0.1063","0.1168","","","","","","1.088","","","","has coordinates","224716","2020-10-21","18:00:00",""
"1551258","7.9481","0.0004","8.7896","0.0004","11.4208","0.0006","90.722","0.003","106.939","0.003","104.188","0.003","736.93","0.07","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","'bis(μ2-4-hydroxy-1-methyl-3-pyridinecarboxylato)-bis(μ2-4-hydroxy-1-methyl-3-pyridinecarboxylato)-di-copper(II) tetrahydrate'","","- C14 H16 Cu N2 O8 -","- C14 H16 Cu N2 O8 -","- C28 H32 Cu2 N4 O16 -","2","1","","May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.","Relationship between solid state structure and solution stability of copper(ii)–hydroxypyridinecarboxylate complexes","New Journal of Chemistry","2019","43","27","10699","","10.1039/C9NJ01469A","","","1.54187","CuKα","","0.0701","0.0612","","","0.1561","0.1761","","","","","","1.166","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551259","9.486","0.0004","11.1725","0.0005","12.3239","0.0005","98.487","0.001","102.339","0.001","106.545","0.001","1192.43","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","'bis(μ2-3-hydroxy-1,2,6-trimethyl-4-pyridinecarboxylato)-di-copper(II) hexahydrate'","","- C36 H61 Cu2 N4 O24 -","- C36 H61 Cu2 N4 O24 -","- C36 H61 Cu2 N4 O24 -","1","0.5","","May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.","Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes","New Journal of Chemistry","2019","43","27","10699","","10.1039/C9NJ01469A","","","0.71073","MoKα","","0.0442","0.0377","","","0.1021","0.1064","","","","","","1.109","","","","has coordinates","224716","2020-10-21","18:00:00",""
"1551260","13.5554","0.0008","12.9227","0.0006","10.2747","0.0005","90","","90","","90","","1799.84","0.16","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-(bis(μ2-4-hydroxy-1,6-dimethyl-3-pyridinecarboxylato)-copper(II) trihydrate","","- C16 H22 Cu N2 O9 -","- C16 H22 Cu N2 O9 -","- C64 H88 Cu4 N8 O36 -","4","1","","May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.","Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes","New Journal of Chemistry","2019","43","27","10699","","10.1039/C9NJ01469A","","","0.71073","MoKα","","0.0298","0.027","","","0.0559","0.0578","","","","","","1.093","","","","has coordinates","224716","2020-10-21","18:00:00",""
"1551261","14.2076","0.0008","12.707","0.0006","15.2817","0.0009","90","","92.703","0.005","90","","2755.8","0.3","294","2","294.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sulfamethoxazole bromide","","- C10 H12 Br N3 O3 S -","- C10 H12 Br N3 O3 S -","- C80 H96 Br8 N24 O24 S8 -","8","1","","de Moura Oliveira, Carlos H.; C. de Melo, Cristiane; Doriguetto, Antonio C.","Sulfamethoxazole salts: crystal structures, conformations and solubility","New Journal of Chemistry","2019","43","26","10250","","10.1039/C9NJ00586B","","","0.71073","MoKα","","0.0536","0.037","","","0.0826","0.0908","","","","","","1.029","","","","has coordinates","224795","2020-10-21","18:00:00",""
"1551262","5.3927","0.0004","31.353","0.002","7.8011","0.0006","90","","99.399","0.008","90","","1301.28","0.16","292.44","0.11","292.44","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","Sulfamethoxazole nitrate","","- C10 H12 N4 O6 S -","- C10 H12 N4 O6 S -","- C40 H48 N16 O24 S4 -","4","2","","de Moura Oliveira, Carlos H.; C. de Melo, Cristiane; Doriguetto, Antonio C.","Sulfamethoxazole salts: crystal structures, conformations and solubility","New Journal of Chemistry","2019","43","26","10250","","10.1039/C9NJ00586B","","x-ray","0.71073","MoKα","","0.0565","0.0503","","","0.1307","0.1364","","","","","","1.075","","","","has coordinates","224795","2020-10-21","18:00:00",""
"1551263","29.7525","0.0017","5.9838","0.0003","15.591","0.0007","90","","98.639","0.002","90","","2744.2","0.2","175","2","175","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Br2 F6 N2 P -","- C29 H21 Br2 F6 N2 P -","- C116 H84 Br8 F24 N8 P4 -","4","1","","Ma, Xiao; Li, Jipeng; Lin, Chensheng; Chai, Guoliang; Xie, Yangbin; Huang, Wei; Wu, Dayu; Wong, Wai-Yeung","Reversible two-channel mechanochromic luminescence for a pyridinium-based white-light emitter with room-temperature fluorescence–phosphorescence dual emission","Physical Chemistry Chemical Physics","2019","21","27","14728","14733","10.1039/C9CP02451D","","","0.71073","MoKα","","0.0746","0.0448","","","0.1193","0.1379","","","","","","0.907","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551264","9.6261","0.0006","9.0444","0.0005","11.6284","0.001","90","","112.735","0.008","90","","933.73","0.12","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn-GGH","","- C12.73 H19.38 N5.91 O4.91 Zn -","- C12.73 H19.37 N5.91 O4.91 Zn -","- C25.46 H38.74 N11.82 O9.82 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","","0.71073","MoKα","","0.0788","0.0598","","","0.1535","0.1647","","","","","","1.052","","","","has coordinates,has disorder","215743","2020-10-21","18:00:00",""
"1551265","9.5645","0.0005","9.0405","0.0005","10.4571","0.001","90","","105.264","0.008","90","","872.31","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H19 N5 O5 S Zn -","- C12 H19 N5 O5 S Zn -","- C24 H38 N10 O10 S2 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1564","0.0964","","","0.2043","0.2393","","","","","","1.038","","","","has coordinates","215744","2020-10-21","18:00:00",""
"1551266","9.5895","0.0002","9.0619","0.0002","11.112","0.0004","90","","106.403","0.003","90","","926.32","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13.73 H21.7 N6.24 O5.24 Zn -","- C13.729 H21.701 N6.243 O5.243 Zn -","- C27.458 H43.402 N12.486 O10.486 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0417","0.0384","","","0.1","0.1023","","","","","","1.063","","","","has coordinates,has disorder","215745","2020-10-21","18:00:00",""
"1551267","9.6138","0.001","9.102","0.0008","20.131","0.003","90","","99.356","0.012","90","","1738.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N10 O8 Zn2 -","- C20 H26 N10 O8 Zn2 -","- C40 H52 N20 O16 Zn4 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","","0.71073","MoKα","","0.1068","0.0783","","","0.1849","0.2034","","","","","","1.06","","","","has coordinates","215746","2020-10-21","18:00:00",""
"1551268","9.5741","0.0003","9.055","0.0002","20.4299","0.0007","90","","94.87","0.003","90","","1764.75","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N5 O5 Zn -","- C11 H16 N5 O5 Zn -","- C44 H64 N20 O20 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.1115","0.1178","","","","","","1.002","","","","has coordinates,has disorder","288248","2023-12-12","12:55:26",""
"1551269","9.6206","0.0016","9.0406","0.0012","20.395","0.005","90","","95.22","0.02","90","","1766.5","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 Zn -","- C10 H13 N5 O4 Zn -","- C40 H52 N20 O16 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1467","0.0958","","","0.2322","0.261","","","","","","1.025","","","","has coordinates,has disorder","215748","2020-10-21","18:00:00",""
"1551270","9.6861","0.0004","8.9799","0.0003","11.4935","0.0006","90","","106.106","0.005","90","","960.47","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 N6 O8 Zn -","- C13 H26 N6 O8 Zn -","- C26 H52 N12 O16 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0958","0.101","","","","","","1.051","","","","has coordinates","215749","2020-10-21","18:00:00",""
"1551271","9.5727","0.001","9.023","0.0005","11.7432","0.0014","90","","113.377","0.013","90","","931.05","0.18","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N5 O6 Zn -","- C15 H17 N5 O6 Zn -","- C30 H34 N10 O12 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.074","0.0589","","","0.1394","0.1489","","","","","","1.054","","","","has coordinates","215750","2020-10-21","18:00:00",""
"1551272","9.5538","0.0004","8.7322","0.0004","11.8097","0.0006","90","","110.473","0.005","90","","923","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N5 O6 Zn -","- C15 H19 N5 O6 Zn -","- C30 H38 N10 O12 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0495","0.0406","","","0.0956","0.1","","","","","","1.062","","","","has coordinates","215751","2020-10-21","18:00:00",""
"1551273","9.5309","0.0006","9.0153","0.0005","11.0339","0.001","90","","108.349","0.008","90","","899.87","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N5 O5 Zn -","- C14 H21 N5 O5 Zn -","- C28 H42 N10 O10 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1222","0.0726","","","0.1095","0.1248","","","","","","1.017","","","","has coordinates","215752","2020-10-21","18:00:00",""
"1551274","7.2589","0.0008","9.1136","0.0006","19.0252","0.0011","90","","90.887","0.007","90","","1258.46","0.18","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N5 O4.5 Zn -","- C10 H14 N5 O4.5 Zn -","- C40 H56 N20 O18 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1537","0.0809","","","0.1752","0.2106","","","","","","1.02","","","","has coordinates","215753","2020-10-21","18:00:00",""
"1551275","9.5615","0.001","9.0515","0.0013","10.4586","0.0015","90","","105.318","0.014","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H19 N5 O5 S Zn -","- C12 H19 N5 O5 S Zn -","- C24 H38 N10 O10 S2 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0852","0.0682","","","0.1674","0.1784","","","","","","1.049","","","","has coordinates","215754","2020-10-21","18:00:00",""
"1551276","9.602","0.004","9.035","0.003","11.675","0.006","90","","112.41","0.05","90","","936.4","0.8","240","0.1","240","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 Zn -","- C10 H13 N5 O4 Zn -","- C20 H26 N10 O8 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","1.54184","CuKα","","0.1664","0.1235","","","0.3175","0.3551","","","","","","1.218","","","","has coordinates","215755","2020-10-21","18:00:00",""
"1551277","13.1784","0.0016","13.1784","0.0016","9.8668","0.0012","90","","90","","120","","1484","0.3","183","2","183","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C66 H93 Cl3 O9 -","3","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0292","0.0273","","","0.0675","0.0689","","","","","","1.031","","","","has coordinates,has Fobs","215756","2020-10-21","18:00:00",""
"1551278","8.5146","0.0003","14.5929","0.0005","24.9839","0.0009","90","","90","","90","","3104.32","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39.9 Cl N4 O7.45 -","- C32 H39.896 Cl N4 O7.448 -","- C128 H159.584 Cl4 N16 O29.792 -","4","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0486","0.0434","","","0.1145","0.1176","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","215757","2020-10-21","18:00:00",""
"1551279","7.8209","0.0006","6.9066","0.0008","8.6288","0.0006","90","","100.372","0.007","90","","458.48","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Br F O -","- C10 H8 Br F O -","- C20 H16 Br2 F2 O2 -","2","1","","Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Enantioselective photoredox dehalogenative protonation","Chemical Science","2019","","","","","10.1039/C9SC02000D","","","1.54184","CuKα","","0.041","0.0342","","","0.0855","0.0922","","","","","","1.064","","","","has coordinates","215764","2020-10-21","18:00:00",""
"1551280","5.04728","0.00018","19.5159","0.0006","20.2528","0.0008","90","","90","","90","","1994.95","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl2 O -","- C10 H10 Cl2 O -","- C80 H80 Cl16 O8 -","8","2","","Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Enantioselective photoredox dehalogenative protonation","Chemical Science","2019","","","","","10.1039/C9SC02000D","","x-ray","1.54184","CuKα","","0.0553","0.0464","","","0.1189","0.1265","","","","","","1.032","","","","has coordinates","215764","2020-10-21","18:00:00",""
"1551281","15.2031","0.0009","21.8563","0.0013","43.312","0.003","90","","90","","90","","14391.9","1.6","180","","180","","","","","","","","Uni. of Cambridge, Chem. Dept, lab 301","5","F d d d :2","-F 2uv 2vw","70","","[TiO(OiPr)(Cy2PO2)]4","","- C60 H116 O16 P4 Ti4 -","- C60 H116 O16 P4 Ti4 -","- C480 H928 O128 P32 Ti32 -","8","0.25","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0661","0.0566","","0.1872","0.1661","0.1872","","","","","","0.9833","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551282","15.0884","0.0005","15.0884","0.0005","15.0884","0.0005","90","","90","","90","","3435","0.2","180","","180","","","","","","","","lab 301, Chemistry, Cambridge","5","I -4 3 m","I -4 2 3","217","","[Ti4O4(O2PPh2)6]","","- C72 H60 O16 P6 Ti4 -","- C72 H60 O16 P6 Ti4 -","- C144 H120 O32 P12 Ti8 -","2","0.0416667","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0473","0.0414","","0.1193","0.1008","0.1193","","","","","","1.0237","","","","has coordinates","215765","2020-10-21","18:00:00",""
"1551283","15.069","0.009","15.069","0.009","15.069","0.009","90","","90","","90","","3422","4","180","","180","","","","","","","","Lab 301, Dept Chem, Uni Cambridge","5","I -4 3 m","I -4 2 3","217","","[Ti4O4(O2PPh2)6][O2}2","","- C72 H60 O16 P6 Ti4 -","- C72 H60 O16 P6 Ti4 -","- C144 H120 O32 P12 Ti8 -","2","0.0416667","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.2717","0.139","","0.2587","0.2153","0.2587","","","","","","0.9385","","","","has coordinates","215765","2020-10-21","18:00:00",""
"1551284","12.6744","0.0003","16.2433","0.0004","33.7928","0.0007","90","","97.3936","0.0012","90","","6899.2","0.3","180","","180","","","","","","","","Lab 301, Dept Chem, University of Cambridge","6","P 1 21/c 1","-P 2ybc","14","","[TiO(OiPr)4-x(py)x(O2PPh2)]4","","- C67.55 H75.45 N0.27 O15.73 P4 Ti4 -","- C67.546 H75.454 N0.273 O15.727 P4 Ti4 -","- C270.184 H301.816 N1.092 O62.908 P16 Ti16 -","4","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0693","0.0485","","0.1214","0.1111","0.1214","","","","","","0.954","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551285","13.6325","0.0002","13.7555","0.0002","14.7582","0.0002","92.5897","0.0007","100.7","0.0007","93.1673","0.0009","2710.88","0.07","180","","180","","","","","","","","Uni Cambridge, Chem dept, Lab 301","5","P -1","-P 1","2","","[Ti(OiPr)3(Cy2PO2)]2","","- C21 H43 O5 P Ti -","- C21 H43 O5 P Ti -","- C84 H172 O20 P4 Ti4 -","4","2","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","0.71073","MoKα","","0.0866","0.056","","0.1404","0.1226","0.1403","","","","","","0.9816","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551286","13.25","0.0003","16.5507","0.0003","33.5428","0.001","96.74","0.002","93.665","0.003","102.553","0.002","7100","0.3","100","","100","2","","","","","","","Uni. Cabridge, Chem Dept, Lab 301","5","P -1","-P 1","2","","[TiO(OtBu)(O2PPh2)]4","","- C136 H159 O32 P8 Ti8 -","- C136 H159 O32 P8 Ti8 -","- C272 H318 O64 P16 Ti16 -","2","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","0.6889","Synchrotron","","0.1718","0.11","","0.3843","0.3587","0.3843","","","","","","1.3078","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551287","25.1958","0.0004","17.3647","0.0003","22.5546","0.0003","90","","123.956","0.0008","90","","8185.2","0.2","100","2","100","2","","","","","","","Uni. Cabridge, Chem Dept, Lab 301","5","C 1 2/c 1","-C 2yc","15","","Ti4O4OiPr2(Cy2PO2)5","","- C36 H69 O8 P2.5 Ti2 -","- C36 H69 O8 P2.5 Ti2 -","- C288 H552 O64 P20 Ti16 -","8","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","0.6889","Synchrotron","","0.0839","0.0569","","0.1851","0.1738","0.1851","","","","","","0.8883","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551288","12.5978","0.0002","16.2766","0.0003","33.9865","0.0005","90","","97.2246","0.0008","90","","6913.6","0.2","180","","180","","","","","","","","Uni Cam, Chem dept, lab 301","5","P 1 21/c 1","-P 2ybc","14","","[TiO(OiPr)(Ph2PO2)]4","","- C67 H76 O16 P4 Ti4 -","- C67 H76 O16 P4 Ti4 -","- C268 H304 O64 P16 Ti16 -","4","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.0603","0.0392","","0.1117","0.0931","0.1117","","","","","","0.9093","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551289","12.4678","0.0003","17.6542","0.0005","20.1669","0.0005","95.091","0.0017","101.46","0.0017","103.312","0.0017","4191.23","0.19","180","","180","","","","","","","","Uni. Cam, Chem dept, lab 301","5","P -1","-P 1","2","","Ti3(OiPr)7(Ph2PO2)5","","- C81 H99 O17 P5 Ti3 -","- C81 H99 O17 P5 Ti3 -","- C162 H198 O34 P10 Ti6 -","2","1","","Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.","Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products","Chemical Science","2019","","","","","10.1039/C9SC01241A","","","1.54178","CuKα","","0.1313","0.0764","","0.1651","0.1379","0.1641","","","","","","0.96","","","","has coordinates,has disorder","215765","2020-10-21","18:00:00",""
"1551290","24.782","0.007","24.782","0.007","14.217","0.005","90","","90","","120","","7562","4","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","FBpin?nPr2Im","","","- C15 H28 B F N2 O2 -","- C15 H28 B F N2 O2 -","- C270 H504 B18 F18 N36 O36 -","18","1","","Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B.","FBpin and its Adducts and their Role in Catalytic Borylations","Faraday Discussions","2019","","","","","10.1039/C9FD00053D","","","0.71073","MoKα","","0.037","0.0312","","","0.0712","0.0743","","","","","","1.048","","","","has coordinates","215773","2020-10-21","18:00:00",""
"1551291","5.4525","","5.5819","","7.7663","","90","","90","","90","","236.37","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Nd0.9Pb0.1FeO3","","","- Fe Nd0.9 O3 Pb0.1 -","- Fe Nd0.9 O3 Pb0.1 -","- Fe4 Nd3.6 O12 Pb0.4 -","4","0.5","","Kumar, S.; Pal, J.; Kaur, S.; Malhi, P.S.; Singh, M.; Babu, P.D.; Singh, A.","The structural and magnetic properties, non-Debye relaxation and hopping mechanism in PbxNd1-xFeO3 (where x = 0.1, 0.2 and 0.3) solid solutions","Journal of Asian Ceramic Societies","2019","7","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","215777","2020-10-21","18:00:00",""
"1551292","5.4533","","5.5805","","7.7665","","90","","90","","90","","236.351","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Nd0.7Pb0.3FeO3","","","- Fe Nd0.7 O3 Pb0.3 -","- Fe Nd0.7 O3 Pb0.3 -","- Fe4 Nd2.8 O12 Pb1.2 -","4","0.5","","Kumar, S.; Pal, J.; Kaur, S.; Malhi, P.S.; Singh, M.; Babu, P.D.; Singh, A.","The structural and magnetic properties, non-Debye relaxation and hopping mechanism in PbxNd1-xFeO3 (where x = 0.1, 0.2 and 0.3) solid solutions","Journal of Asian Ceramic Societies","2019","7","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","215775","2020-10-21","18:00:00",""
"1551293","5.4532","","5.5807","","7.7663","","90","","90","","90","","236.349","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Nd0.8Pb0.2FeO3","","","- Fe Nd0.8 O3 Pb0.2 -","- Fe Nd0.8 O3 Pb0.2 -","- Fe4 Nd3.2 O12 Pb0.8 -","4","0.5","","Kumar, S.; Pal, J.; Kaur, S.; Malhi, P.S.; Singh, M.; Babu, P.D.; Singh, A.","The structural and magnetic properties, non-Debye relaxation and hopping mechanism in PbxNd1-xFeO3 (where x = 0.1, 0.2 and 0.3) solid solutions","Journal of Asian Ceramic Societies","2019","7","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","215776","2020-10-21","18:00:00",""
"1551301","14.6491","0.0006","14.714","0.0006","16.1495","0.0007","90","","109.618","0.002","90","","3278.9","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HCO-(Adm)3-NHiPr","","","- C37 H54 N4 O4 -","- C37 H54 N4 O4 -","- C148 H216 N16 O16 -","4","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.1106","0.0577","","","0.1226","0.1466","","","","","","1.02","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551302","14.6489","0.0004","14.7284","0.0004","16.1631","0.0004","90","","109.738","0.001","90","","3282.38","0.15","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HCO-(Adm)3-NHiPr","","","- C37 H54 N4 O4 -","- C37 H54 N4 O4 -","- C148 H216 N16 O16 -","4","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0499","0.0454","","","0.1159","0.1205","","","","","","1.043","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551303","7.7427","0.0003","10.1","0.0003","20.7549","0.0007","90.03","0.001","95.713","0.001","90.869","0.001","1614.81","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","HCO-(Adm)3-NHtBu","","","- C38 H56 N4 O4 -","- C38 H56 N4 O4 -","- C76 H112 N8 O8 -","2","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0543","0.0495","","","0.1279","0.1319","","","","","","1.071","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551304","14.6463","0.0006","14.7404","0.0006","16.1538","0.0007","90","","109.735","0.002","90","","3282.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HCO-(Adm)3-NHiPr","","","- C37 H54 N4 O4 -","- C37 H54 N4 O4 -","- C148 H216 N16 O16 -","4","1","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0655","0.0469","","","0.1017","0.1134","","","","","","1.057","","","","has coordinates","215795","2020-10-21","18:00:00",""
"1551305","9.8603","0.0003","43.035","0.0014","38.9591","0.0012","90","","90","","90","","16531.8","0.9","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","HCO-(Adm)3-NHtBu bis-DMSO solvate","","","- C42 H68 N4 O6 S2 -","- C42 H68 N4 O6 S2 -","- C672 H1088 N64 O96 S32 -","16","2","","M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.","Isolated α-turn and incipient γ-helix","Chemical Science","2019","","","","","10.1039/C9SC01683J","","x-ray","1.34139","GaKα","","0.0715","0.0625","","","0.1585","0.1645","","","","","","1.11","","","","has coordinates,has disorder","215795","2020-10-21","18:00:00",""
"1551306","5.8086","0.0001","10.7521","0.0002","22.7153","0.0005","90","","90","","90","","1418.68","0.05","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Wu, Wangbin; Cao, Weidi; Hu, Linfeng; Su, Zhishan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Baeyer-Villiger oxidation: classical and parallel kinetic resolution of 3-substituted cyclohexanones and desymmetrization of meso-disubstituted cycloketones","Chemical Science","2019","","","","","10.1039/C9SC01563A","","","1.54178","CuKα","","0.0277","0.027","","","0.0703","0.0709","","","","","","1.05","","","","has coordinates","215796","2020-10-21","18:00:00",""
"1551307","10.205","0.014","27.45","0.02","11.97","0.016","90","","103.46","0.05","90","","3261","7","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H77 F9 N4 O13 S3 Sc -","- C54 H77 F9 N4 O13 S3 Sc -","- C108 H154 F18 N8 O26 S6 Sc2 -","2","1","","Wu, Wangbin; Cao, Weidi; Hu, Linfeng; Su, Zhishan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Baeyer-Villiger oxidation: classical and parallel kinetic resolution of 3-substituted cyclohexanones and desymmetrization of meso-disubstituted cycloketones","Chemical Science","2019","","","","","10.1039/C9SC01563A","","","0.71073","MoKα","","0.1552","0.0971","","","0.2454","0.2957","","","","","","1.047","","","","has coordinates","215796","2020-10-21","18:00:00",""
"1551308","12.201","0.001","14.5638","0.0012","22.547","0.002","90","","90","","90","","4006.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan; Xie, Jing; Burgess, Samantha; Vogiatzis, Konstantinos; Ye, Jingyun; Vollmer, Matthew; Linehan, John C.; Appel, Aaron M.; hoffmann, christina; Wang, Xiaoping; Young, Jr., Victor; Lu, Connie","Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct","Chemical Science","2019","","","","","10.1039/C9SC02018G","","","0.6","neutron","","0.0902","0.062","","","0.1262","0.1479","","","","","","0.613","","","","has coordinates","215797","2020-10-21","18:00:00",""
"1551309","12.2127","0.0004","14.5402","0.0005","22.5601","0.0008","90","","90","","90","","4006.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan; Xie, Jing; Burgess, Samantha; Vogiatzis, Konstantinos; Ye, Jingyun; Vollmer, Matthew; Linehan, John C.; Appel, Aaron M.; hoffmann, christina; Wang, Xiaoping; Young, Jr., Victor; Lu, Connie","Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct","Chemical Science","2019","","","","","10.1039/C9SC02018G","","","0.71073","MoKα","","0.0202","0.0181","","","0.0392","0.0401","","","","","","1.092","","","","has coordinates","215797","2020-10-21","18:00:00",""
"1551310","17.718","0.0006","18.1791","0.0005","22.9828","0.0006","98.564","0.002","99.814","0.002","102.609","0.003","6983.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C252.78 H314.78 Cl14.33 N36 O46 Si2 -","- C252.808 H156.808 Cl14.424 N36 O46 Si2 -","- C252.808 H156.808 Cl14.424 N36 O46 Si2 -","1","0.5","","Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan","Interplay of secondary and tertiary folding in abiotic foldamers","Chemical Science","2019","","","","","10.1039/C9SC01322A","","","1.54184","CuKα","","0.1799","0.1523","","","0.3751","0.3988","","","","","","2.131","","","","has coordinates,has disorder","215798","2020-10-21","18:00:00",""
"1551311","16.1473","0.0003","36.4163","0.0007","26.28","0.0005","90","","106.983","0.002","90","","14779.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C262.51 H343.02 N40 O52 Si2 -","- C263.042 H94 N40 O60 Si2 -","- C526.084 H188 N80 O120 Si4 -","2","0.5","","Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan","Interplay of secondary and tertiary folding in abiotic foldamers","Chemical Science","2019","","","","","10.1039/C9SC01322A","","","1.54184","CuKα","","0.2658","0.2411","","","0.6025","0.6246","","","","","","2.712","","","","has coordinates,has disorder","215798","2020-10-21","18:00:00",""
"1551312","21.4823","0.0011","26.9299","0.0009","48.1304","0.0014","84.99","0.003","82.99","0.003","74.494","0.004","26586.6","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C234.5 H242.5 Cl1.5 N40 O46.5 -","- C207.5 Cl1.5 N40 O46.5 -","- C830 Cl6 N160 O186 -","4","2","","Mazzier, Daniela; De, Soumen; Wicher, Barbara; Maurizot, Victor; Huc, Ivan","Interplay of secondary and tertiary folding in abiotic foldamers","Chemical Science","2019","","","","","10.1039/C9SC01322A","","","1.54184","CuKα","","0.3716","0.303","","","0.6461","0.6841","","","","","","2.589","","","","has coordinates,has disorder","274567","2022-04-19","14:22:35",""
"1551313","4.957","0.003","5.007","0.004","30.6","0.02","90","","92.98","0.008","90","","758.5","0.9","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H27 N O6 -","- C13 H27 N O6 -","- C26 H54 N2 O12 -","2","1","","Chalard, Anaïs; Joseph, Pierre; Souleille, Sandrine; Lonetti, Barbara; Saffon-Merceron, Nathalie; Loubinoux, Isabelle; Vaysse, Laurence; Malaquin, Laurent; Fitremann, Juliette","Wet spinning and radial self-assembly of a carbohydrate low molecular weight gelator into well organized hydrogel filaments.","Nanoscale","2019","11","32","15043","15056","10.1039/c9nr02727k","","","0.71073","MoKα","","0.1119","0.0784","","","0.1556","0.168","","","","","","1.101","","","","has coordinates","224661","2020-10-21","18:00:00",""
"1551347","6.1003","0.0002","19.2105","0.0009","16.5303","0.0006","90","","90.586","0.003","90","","1937.08","0.13","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 S -","- C23 H22 N4 S -","- C92 H88 N16 S4 -","4","1","","Feng, Zhihui; Li, Dandan; Zhang, Mingzhu; Shao, Tao; shen, yu; Tian, Xiaohe; Zhang, Qiong; Li, Shengli; Wu, Jieying; Tian, Yupeng","Enhanced three-photon activity trigged by AIE behavior of a novel terpyridine-based Zn(II) complex bearing thiophene bridge","Chemical Science","2019","","","","","10.1039/C9SC01705D","","","1.54186","CuKα","","0.0553","0.047","","","0.1277","0.1392","","","","","","1.088","","","","has coordinates","215851","2020-10-21","18:00:00",""
"1551348","13.074","0.002","13.076","0.002","15.476","0.003","99.48","0.002","95.071","0.002","105.389","0.002","2491.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 N10 O6 S2 Zn -","- C46 H44 N10 O6 S2 Zn -","- C92 H88 N20 O12 S4 Zn2 -","2","1","","Feng, Zhihui; Li, Dandan; Zhang, Mingzhu; Shao, Tao; shen, yu; Tian, Xiaohe; Zhang, Qiong; Li, Shengli; Wu, Jieying; Tian, Yupeng","Enhanced three-photon activity trigged by AIE behavior of a novel terpyridine-based Zn(II) complex bearing thiophene bridge","Chemical Science","2019","","","","","10.1039/C9SC01705D","","","0.71073","MoKα","","0.0837","0.0694","","","0.2161","0.2337","","","","","","1.089","","","","has coordinates","215851","2020-10-21","18:00:00",""
"1551349","19.783","0.013","11.805","0.01","21.269","0.013","90","","113.95","0.02","90","","4539","6","122","2","122","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 B2 N4 -","- C48 H64 B2 N4 -","- C192 H256 B8 N16 -","4","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0859","0.0546","","","0.1326","0.1489","","","","","","1.035","","","","has coordinates","215852","2020-10-21","18:00:00",""
"1551350","10.919","0.0004","11.0985","0.0004","12.1024","0.0005","73.53","0.001","80.59","0.001","64.832","0.001","1271.37","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H68 B4 N4 O4 -","- C58 H68 B4 N4 O4 -","- C58 H68 B4 N4 O4 -","1","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0987","0.0558","","","0.1077","0.1269","","","","","","1.053","","","","has coordinates","215852","2020-10-21","18:00:00",""
"1551351","10.5163","0.0005","12.3887","0.0007","13.5117","0.0007","88.943","0.002","84.495","0.002","65.88","0.002","1598.83","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 B4 N4 O4 -","- C72 H84 B4 N4 O4 -","- C72 H84 B4 N4 O4 -","1","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0716","0.0521","","","0.1251","0.1358","","","","","","1.044","","","","has coordinates,has disorder","215852","2020-10-21","18:00:00",""
"1551352","10.4711","0.0006","12.1436","0.0007","14.1733","0.0008","87.13","0.001","83.446","0.001","65.946","0.001","1634.96","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 B4 N4 S4 -","- C72 H84 B4 N4 S4 -","- C72 H84 B4 N4 S4 -","1","0.5","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0489","0.0428","","","0.1081","0.1149","","","","","","0.683","","","","has coordinates,has disorder","215852","2020-10-21","18:00:00",""
"1551353","12.532","0.004","18.541","0.005","26.605","0.005","106.073","0.017","100.06","0.018","94.42","0.03","5797","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 B4 N4 S4 -","- C58 H67 B4 N4 S4 -","- C232 H268 B16 N16 S16 -","4","2","","Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger","Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds","Chemical Science","2019","","","","","10.1039/C9SC02544H","","","0.71073","MoKα","","0.0703","0.0497","","","0.1325","0.1437","","","","","","1.037","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551354","23.194","0.003","9.825","0.001","16.475","0.002","90","","106.154","0.013","90","","3606.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","","- C32 H44 Co N6 O4 S2 -","- C32 H44 Co N6 O4 S2 -","- C128 H176 Co4 N24 O16 S8 -","4","1","HB4299","Nithya, Palanivelu; Govindarajan, Subbiah; Simpson, Jim","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","IUCrData","2019","4","6","x190812","","10.1107/S2414314619008125","","","1.54184","CuKα","","0.1533","0.0943","","","0.223","0.2625","","","","","","1.07","","","","has coordinates,has Fobs","215872","2020-10-21","18:00:00",""
"1551355","7.4858","0.0004","21.374","0.0012","21.5083","0.0013","90","","91.545","0.002","90","","3440.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-((S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-2-fluoro- N,N-dimethylpropan-1-aminium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C38 H34 F2 N2 O9 -","- C38 H34 F2 N2 O9 -","- C152 H136 F8 N8 O36 -","4","2","","Pauline Adler; Christopher J. Teskey; Daniel Kaiser; Marion Holy; Harald H. Sitte; Nuno Maulide","Alpha-Fluorination of carbonyls with nucleophilic fluorine","Nature Chemistry","2019","11","","329","334","10.1038/s41557-019-0215-z","","x-ray","0.71073","MoKα","","0.1032","0.0809","","","0.1755","0.1895","","","","","","1.071","","","","has coordinates,has disorder","215873","2020-10-21","18:00:00",""
"1551356","9.2109","0.0004","9.2109","0.0004","76.327","0.003","90","","90","","120","","5608.1","0.4","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H30 Cl2 F12 Mn N4 -","- C36 H30 Cl2 F12 Mn N4 -","- C216 H180 Cl12 F72 Mn6 N24 -","6","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0495","0.0493","","","0.1197","0.1199","","","","","","1.129","","","","has coordinates","215874","2020-10-21","18:00:00",""
"1551357","10.5506","0.0004","10.5506","0.0004","25.221","0.0012","90","","90","","120","","2431.35","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H32 F12 Mn N6 Sb2 -","- C24 H32 F12 Mn N6 Sb2 -","- C72 H96 F36 Mn3 N18 Sb6 -","3","0.5","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","0.71073","MoKα","","0.0214","0.0204","","","0.042","0.0423","","","","","","1.13","","","","has coordinates","215875","2020-10-21","18:00:00",""
"1551358","10.7987","0.0004","9.1936","0.0003","27.3628","0.0011","90","","97.543","0.001","90","","2693.04","0.17","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.042","0.0413","","","0.1168","0.1175","","","","","","1.074","","","","has coordinates,has disorder","215876","2020-10-21","18:00:00",""
"1551359","10.7688","0.0003","16.7429","0.0004","15.5965","0.0004","90","","101.666","0.0007","90","","2753.97","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H37 O8.5 -","- C29 H37 O8.5 -","- C116 H148 O34 -","4","2","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0467","0.0438","","","0.1094","0.1122","","","","","","1.096","","","","has coordinates,has disorder","279817","2022-12-09","07:50:21",""
"1551360","8.8931","0.0002","6.0617","0.0001","19.3222","0.0004","90","","97.283","0.002","90","","1033.2","0.04","","","298","","","","100","","","","","9","A 1 2/m 1","-A 2y","12","poppiite","","poppiite from Komatsu mine","- Al0.51 Ca2 Fe0.29 H3.36 Mg0.19 Mn0.17 O14 Si3 V1.84 -","- Al0.236 Ca2 H2 Mg0.145 O14 Si3 V2.619 -","- Al0.944 Ca8 H8 Mg0.58 O56 Si12 V10.476 -","4","0.5","","Nagashima, M.; Matsumoto, T.; Yamada, T.; Takizawa, M.; Momma, K.","Crystal chemistry of poppiite, V-analogue of pumpellyite, from the Komatsu mine, Saitama Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2019","113","","251","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","215878","2020-10-21","18:00:00",""
"1551361","8.8782","0.0003","6.0428","0.0002","19.2938","0.0007","90","","97.343","0.003","90","","1026.61","0.06","","","298","","","","100","","","","","9","A 1 2/m 1","-A 2y","12","poppiite","","poppiite from Gambatesa mine","- Al0.28 Ca2 Fe0.04 H3.41 Mg0.19 Mn0.22 O14 Si3 V2.27 -","- Al0.44 Ca2 H2.5 Mg0.244 O14 Si3 V2.316 -","- Al1.76 Ca8 H10 Mg0.976 O56 Si12 V9.264 -","4","0.5","","Nagashima, M.; Matsumoto, T.; Yamada, T.; Takizawa, M.; Momma, K.","Crystal chemistry of poppiite, V-analogue of pumpellyite, from the Komatsu mine, Saitama Prefecture, Japan (x and z of O9 site are incorrect)","Journal of Mineralogical and Petrological Sciences","2019","113","","251","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","215879","2020-10-21","18:00:00",""
"1551378","7.32208","0.00015","18.4404","0.0004","23.9475","0.0004","90","","90","","90","","3233.44","0.11","100","0.1","100","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.0783","0.079","","","","","","1.027","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551379","7.306","0.003","18.404","0.008","23.763","0.009","90","","90","","90","","3195","2","170","","170","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H17 N3 S -","- C18 H17 N3 S -","- C144 H136 N24 S8 -","8","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","","0.71073","MoKα","","0.0807","0.0529","","","0.1034","0.1158","","","","","","1.041","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551380","13.5246","0.0001","15.58","0.0001","9.8171","0.0001","90","","100.207","0.001","90","","2035.86","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F N3 S -","- C24 H20 F N3 S -","- C96 H80 F4 N12 S4 -","4","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.049","0.0464","","","0.1267","0.1316","","","","","","1.067","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551381","7.6842","0.0019","15.222","0.004","15.865","0.002","90","","94.247","0.016","90","","1850.6","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C23 H25 N3 -","- C23 H25 N3 -","- C92 H100 N12 -","4","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.2253","0.0795","","","0.4114","0.1468","","","","","","1.027","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551382","8.9771","0.001","17.626","0.002","17.763","0.002","116.517","0.0019","93.784","0.002","102.495","0.002","2412.5","0.5","90","","90","","","","","","","","","3","P -1","-P 1","2","","CP3","","- C66 H60 O6 -","- C66 H60 O6 -","- C132 H120 O12 -","2","1","","Kurosaki, Ryo; Hayashi, Hironobu; Suzuki, Mitsuhara; Jiang, Julong; Hatanaka, Miho; Aratani, Naoki; Yamada, Hiroko","A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C‒C σ-bond","Chemical Science","2019","","","","","10.1039/C9SC01777A","","","0.71073","MoKα","","0.1256","0.0738","","","0.1592","0.2024","","","","","","1.061","","","","has coordinates","215902","2020-10-21","18:00:00",""
"1551383","17.7176","0.0019","18.088","0.002","18.855","0.002","109.807","0.0019","114.343","0.0019","91.189","0.002","5088.1","1","90","","90","","","","","","","","","4","P -1","-P 1","2","","CP3O","","- C66.91 H60.78 Cl0.78 O7.51 -","- C66.905 H60.784 Cl0.784 O7.513 -","- C267.62 H243.136 Cl3.136 O30.052 -","4","2","","Kurosaki, Ryo; Hayashi, Hironobu; Suzuki, Mitsuhara; Jiang, Julong; Hatanaka, Miho; Aratani, Naoki; Yamada, Hiroko","A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C‒C σ-bond","Chemical Science","2019","","","","","10.1039/C9SC01777A","","","0.71073","MoKα","","0.1777","0.0829","","","0.2091","0.2715","","","","","","1.025","","","","has coordinates,has disorder","215902","2020-10-21","18:00:00",""
"1551406","17.243","0.0013","7.806","0.005","17.503","0.003","90","","110.42","0.03","90","","2207.8","1.5","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Gross95 (Zhenya)","","","- C39 H4 Cl4 F17 I4 N4 P -","- C39 H4 Cl4 F17 I4 N4 P -","- C78 H8 Cl8 F34 I8 N8 P2 -","2","0.5","","Gross, Zeev; Zhao, Jianzhang; Mahammed, Atif; Chen, Kepeng; Vestfrid, Jenya","Phosphorus Corrole Complexes: From Property Tuning to Applications in Photocatalysis and Triplet-Triplet Annihilation Upconversion","Chemical Science","2019","","","","","10.1039/C9SC01463B","","","0.71073","MoKα","","0.1284","0.1059","","","0.2335","0.2458","","","","","","1.124","","","","has coordinates,has disorder","215938","2020-10-21","18:00:00",""
"1551407","21.925","0.002","13.102","0.0011","13.146","0.003","90","","97.96","0.05","90","","3740","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross99 (Zhenya)","","","- C38 H15 Cl2 F8 I4 N4 P -","- C38 H15 Cl2 F8 I4 N4 P -","- C152 H60 Cl8 F32 I16 N16 P4 -","4","1","","Gross, Zeev; Zhao, Jianzhang; Mahammed, Atif; Chen, Kepeng; Vestfrid, Jenya","Phosphorus Corrole Complexes: From Property Tuning to Applications in Photocatalysis and Triplet-Triplet Annihilation Upconversion","Chemical Science","2019","","","","","10.1039/C9SC01463B","","","0.71073","MoKα","","0.0654","0.0569","","","0.14","0.1438","","","","","","1.143","","","","has coordinates,has disorder","215938","2020-10-21","18:00:00",""
"1551408","8.217","0.0002","7.7716","0.0002","13.2349","0.0003","90","","90.843","0.002","90","","845.08","0.04","172.99","0.1","172.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Teng, Qi; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes","Chemical Science","2019","","","","","10.1039/C9SC02341K","","x-ray","1.54184","CuKα","","0.0456","0.0424","","","0.109","0.1187","","","","","","1.058","","","","has coordinates","215939","2020-10-21","18:00:00",""
"1551409","6.8959","0.0003","10.2141","0.0004","19.1396","0.0008","90","","90","","90","","1348.11","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Teng, Qi; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes","Chemical Science","2019","","","","","10.1039/C9SC02341K","","x-ray","1.54184","CuKα","","0.064","0.0527","","","0.144","0.1821","","","","","","1.102","","","","has coordinates","215939","2020-10-21","18:00:00",""
"1551410","25.17","0.005","15.03","0.003","39.41","0.008","90","","95.16","0.03","90","","14849","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15",";DyEr2N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Dy Er2 Ho0 N5 Ni -","- C128 H56 Dy Er2 N5 Ni -","- C1024 H448 Dy8 Er16 N40 Ni8 -","8","1","","Schlesier, C.; Liu, F.; Dubrovin, V.; Spree, L.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.","Mixed dysprosium-lanthanide nitride clusterfullerenes DyM<sub>2</sub>N@C<sub>80</sub>-I<sub>h</sub> and Dy<sub>2</sub>MN@C<sub>80</sub>-I<sub>h</sub> (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom.","Nanoscale","2019","11","27","13139","13153","10.1039/c9nr03593a","","","0.89429","synchrotron","","0.144","0.1104","","","0.2608","0.2825","","","","","","1.037","","","","has coordinates,has disorder","224658","2020-10-21","18:00:00",""
"1551411","25.23","0.005","15.05","0.003","39.41","0.008","90","","95.27","0.03","90","","14901","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15",";DyGd2N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Dy Gd2 N5 Ni -","- C128 H56 Dy Gd2 N5 Ni -","- C1024 H448 Dy8 Gd16 N40 Ni8 -","8","1","","Schlesier, C.; Liu, F.; Dubrovin, V.; Spree, L.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.","Mixed dysprosium-lanthanide nitride clusterfullerenes DyM<sub>2</sub>N@C<sub>80</sub>-I<sub>h</sub> and Dy<sub>2</sub>MN@C<sub>80</sub>-I<sub>h</sub> (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom.","Nanoscale","2019","11","27","13139","13153","10.1039/c9nr03593a","","","0.89429","synchrotron","","0.1198","0.0659","","","0.1725","0.2057","","","","","","1.055","","","","has coordinates,has disorder","224658","2020-10-21","18:00:00",""
"1551412","8.949","0.0005","15.4457","0.0007","19.2674","0.0008","90","","90","","90","","2663.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","LQ5022","Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J.","Radiation damage in small-molecule crystallography: fact not fiction","IUCrJ","2019","6","4","","","10.1107/S2052252519006948","","x-ray","0.71073","MoKα","K-L~3~","0.1363","0.0709","","","0.1173","0.1383","","","","","","1.013","","","","has coordinates,has disorder","215950","2020-10-21","18:00:00",""
"1551443","9.0646","0.0007","16.0413","0.0011","35.656","0.002","90","","90.122","0.007","90","","5184.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Fe0.5 N18 O6 S -","- C54 H33 Fe0.5 N18 O6 S -","- C216 H132 Fe2 N72 O24 S4 -","4","1","","Benaicha, Bouabdellah; Van Do, Khanh; Yangui, Aymen; Pittala, Narsimhulu; Lusson, Alain; Sy, Mouhamadou; Bouchez, Guillaume; Fourati, Houcem; Gómez-García, Carlos J.; Triki, Smail; Boukheddaden, Kamel","Interplay between spin-crossover and luminescence in a multifunctional single crystal iron(ii) complex: towards a new generation of molecular sensors","Chemical Science","2019","","","","","10.1039/C9SC02331C","","x-ray","0.71073","MoKα","","0.2196","0.1074","","","0.2252","0.2889","","","","","","1.105","","","","has coordinates","215989","2020-10-21","18:00:00",""
"1551444","8.9139","0.0004","15.9285","0.0009","35.1158","0.0018","90","","90.474","0.005","90","","4985.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Fe0.5 N18 O6 S -","- C54 H33 Fe0.5 N18 O6 S -","- C216 H132 Fe2 N72 O24 S4 -","4","1","","Benaicha, Bouabdellah; Van Do, Khanh; Yangui, Aymen; Pittala, Narsimhulu; Lusson, Alain; Sy, Mouhamadou; Bouchez, Guillaume; Fourati, Houcem; Gómez-García, Carlos J.; Triki, Smail; Boukheddaden, Kamel","Interplay between spin-crossover and luminescence in a multifunctional single crystal iron(ii) complex: towards a new generation of molecular sensors","Chemical Science","2019","","","","","10.1039/C9SC02331C","","x-ray","0.71073","MoKα","","0.1757","0.0948","","","0.1837","0.2549","","","","","","1.092","","","","has coordinates","215989","2020-10-21","18:00:00",""
"1551445","14.7115","0.0016","4.9598","0.0006","17.3105","0.0019","90","","112.96","0.002","90","","1163","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-6-chloropyridine‒glutaric acid (1/1)","6-Chloropyridin-2-amine‒pentanedioic acid (1/1)","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","1","IS4033","Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G.","2-Amino-6-chloropyridine‒glutaric acid (1/1)","IUCrData","2019","4","6","x190781","","10.1107/S2414314619007818","","","0.71073","MoKα","","0.043","0.0326","","","0.0861","0.0935","","","","","","0.927","","","","has coordinates,has Fobs","216007","2020-10-21","18:00:00",""
"1551458","10.753","0.002","11.953","0.002","11.361","0.002","90","","107.9","0.03","90","","1389.6","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F8 O6 P2 Si -","- C24 H30 F8 O6 P2 Si -","- C48 H60 F16 O12 P4 Si2 -","2","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1055","0.0634","","","0.1574","0.1769","","","","","","1.074","","","","has coordinates,has disorder","216033","2020-10-21","18:00:00",""
"1551459","11.428","0.002","12.75","0.003","15.069","0.003","71.12","0.03","71.13","0.03","69.23","0.03","1887.7","0.8","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H25 Br8 Cl2 F K O10 Si -","- C25 H25 Br8 Cl2 F K O10 Si -","- C50 H50 Br16 Cl4 F2 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0911","0.0421","","","0.0738","0.0855","","","","","","0.999","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551460","11.061","0.002","12.978","0.003","22.591","0.005","86.42","0.03","79.44","0.03","67.26","0.03","2940.1","1.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Br8 Cl2 O5 P Si -","- C19 H17 Br8 Cl2 O5 P Si -","- C76 H68 Br32 Cl8 O20 P4 Si4 -","4","2","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1004","0.0437","","","0.0669","0.078","","","","","","0.957","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551461","11.414","0.002","11.84","0.002","11.872","0.002","99.78","0.03","96.63","0.03","112.37","0.03","1433.3","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F9 K O10 Si -","- C24 H24 F9 K O10 Si -","- C48 H48 F18 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1533","0.054","","","0.1026","0.134","","","","","","0.964","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551462","9.303","0.0019","10.781","0.002","15.544","0.003","77.14","0.03","77.77","0.03","69.26","0.03","1406.2","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F9 K O10 Si -","- C24 H24 F9 K O10 Si -","- C48 H48 F18 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.068","0.0385","","","0.0868","0.0994","","","","","","1.024","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551463","7.85","0.0016","8.484","0.0017","10.295","0.002","83.8","0.03","73.07","0.03","83.17","0.03","649.3","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 O6 P2 Si -","- C24 H38 O6 P2 Si -","- C24 H38 O6 P2 Si -","1","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0814","0.0453","","","0.1079","0.1239","","","","","","1.078","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551464","8.639","0.0017","9.598","0.0019","17.384","0.004","90","","93","0.03","90","","1439.5","0.5","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br8 O6 Si -","- C20 H20 Br8 O6 Si -","- C40 H40 Br16 O12 Si2 -","2","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0814","0.0404","","","0.0618","0.0709","","","","","","0.993","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551465","10.425","0.0015","10.425","0.0015","37.648","0.008","90","","90","","90","","4091.6","1.2","120","","120","","","","","","","","","7","P 43","P 4cw","78","","","","- C48 H38 Cl N O4 P2 Si -","- C48 H38 Cl N O4 P2 Si -","- C192 H152 Cl4 N4 O16 P8 Si4 -","4","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1843","0.0593","","","0.0957","0.1262","","","","","","0.989","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551466","21.898","0.004","12.467","0.003","14.654","0.003","90","","91.49","0.03","90","","3999.2","1.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F8 O5 P Si -","- C18 H15 F8 O5 P Si -","- C144 H120 F64 O40 P8 Si8 -","8","2","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1171","0.0466","","","0.0944","0.1162","","","","","","0.981","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551467","7.927","0.0016","9.241","0.0018","12.596","0.003","69.63","0.03","81.67","0.03","79.5","0.03","847.2","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Br8 O6 P2 Si -","- C24 H30 Br8 O6 P2 Si -","- C24 H30 Br8 O6 P2 Si -","1","0.5","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.0481","0.0305","","","0.0577","0.0634","","","","","","1.014","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551468","10.012","0.002","15.717","0.003","12.437","0.003","90","","109.77","0.03","90","","1841.7","0.8","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 O5 P Si -","- C18 H23 O5 P Si -","- C72 H92 O20 P4 Si4 -","4","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1292","0.0536","","","0.1152","0.1439","","","","","","0.996","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551469","9.68","0.0019","10.278","0.002","15.852","0.003","91.94","0.03","92.84","0.03","92.24","0.03","1573","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Br4 F5 K O10 Si -","- C24 H24 Br4 F5 K O10 Si -","- C48 H48 Br8 F10 K2 O20 Si2 -","2","1","","Hartmann, Deborah; Schädler, Marcel; Greb, Lutz","Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity","Chemical Science","2019","","","","","10.1039/C9SC02167A","","","0.71073","MoKα","","0.1758","0.0664","","","0.1191","0.1486","","","","","","1.008","","","","has coordinates","216033","2020-10-21","18:00:00",""
"1551470","10.1189","0.0003","16.2647","0.0005","19.3022","0.0006","67.268","0.003","82.291","0.003","82.584","0.003","2893.14","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H47 Cl3 N8 Zn -","- C71 H47 Cl3 N8 Zn -","- C142 H94 Cl6 N16 Zn2 -","2","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.1104","0.098","","","0.2969","0.3133","","","","","","1.352","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551471","11.1672","0.0004","27.7657","0.0007","9.6241","0.0003","90","","114.758","0.004","90","","2709.81","0.17","296.4","0.5","296.4","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 O2 Zn -","- C34 H24 N6 O2 Zn -","- C136 H96 N24 O8 Zn4 -","4","0.5","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.0706","0.0623","","","0.1746","0.1856","","","","","","1.04","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551472","13.4252","0.0011","14.2425","0.0013","14.4941","0.0009","102.982","0.007","94.647","0.006","95.015","0.007","2675.7","0.4","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H40 F4 N4 O3 Zn -","- C64 H40 F4 N4 O3 Zn -","- C128 H80 F8 N8 O6 Zn2 -","2","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","0.71073","MoKα","","0.2308","0.0874","","","0.1567","0.2051","","","","","","0.862","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551473","20.2843","0.0002","17.94042","0.00016","17.71991","0.0002","90","","104.646","0.0012","90","","6238.91","0.11","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H53 Cl2 F10 N6 O3 Sb Zn -","- C70 H53 Cl2 F10 N6 O3 Sb Zn -","- C280 H212 Cl8 F40 N24 O12 Sb4 Zn4 -","4","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.0694","0.057","","","0.152","0.1619","","","","","","1.026","","","","has coordinates,has disorder","216034","2020-10-21","18:00:00",""
"1551474","13.4669","0.0011","28.4544","0.002","17.1786","0.0014","90","","109.813","0.009","90","","6193","0.9","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H37 Cl4 N5 O2 Zn -","- C65 H37 Cl4 N5 O2 Zn -","- C260 H148 Cl16 N20 O8 Zn4 -","4","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","0.71073","MoKα","","0.0712","0.0487","","","0.1224","0.1345","","","","","","1.052","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551475","9.804","0.0006","10.8952","0.0007","13.1775","0.0009","73.385","0.006","77.153","0.005","81.794","0.005","1310.31","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 F4 N4 O4 Zn -","- C68 H48 F4 N4 O4 Zn -","- C68 H48 F4 N4 O4 Zn -","1","0.5","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","0.71073","MoKα","","0.1428","0.0806","","","0.1882","0.2328","","","","","","1.035","","","","has coordinates","216034","2020-10-21","18:00:00",""
"1551476","13.4002","0.0004","13.4625","0.0004","17.1704","0.0005","103.438","0.002","101.949","0.002","98.725","0.002","2881.75","0.15","293.75","0.1","293.75","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 N4 O3 Zn -","- C64 H44 N4 O3 Zn -","- C128 H88 N8 O6 Zn2 -","2","1","","Li, Chengming; Zhu, Lei; Liang, Wenbo; Su, Rongchuan; Yin, Jiangliang; Hu, Yanmei; Lan, Yu; Wu, Di; You, Jingsong","Unusual [4+2] Fusion Strategy to Forge meso-N/O-Heteroarene-Fused (Quinoidal) Porphyrins with Intense Near-Infrared Q-Bands","Chemical Science","2019","","","","","10.1039/C9SC01596E","","x-ray","1.54184","CuKα","","0.105","0.0824","","","0.2351","0.2705","","","","","","1.016","","","","has coordinates,has disorder","216034","2020-10-21","18:00:00",""
"1551477","17.1059","0.0004","14.9921","0.0004","14.7772","0.0004","90","","95.317","0.002","90","","3773.36","0.17","296.96","0.1","296.96","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","20180713-A2","","- C48 H32 F2 N4 -","- C48 H32 F2 N4 -","- C192 H128 F8 N16 -","4","1","","Man, Zhongwei; Lv, Zheng; Xu, Zhenzhen; Cui, Hongtu; Liao, Qing; Zheng, Lemin; Jin, Xue; He, Qihua; Fu, Hongbing","Organic nanoparticles with ultrahigh stimulated emission depletion efficiency for low-power STED nanoscopy.","Nanoscale","2019","11","27","12990","12996","10.1039/c9nr02781e","","x-ray","1.54184","CuKα","","0.0947","0.0863","","","0.2855","0.3057","","","","","","1.33","","","","has coordinates","224659","2020-10-21","18:00:00",""
"1551492","8.96089","0.00013","35.7856","0.0006","14.92847","0.00019","90","","90","","90","","4787.12","0.12","179.95","0.1","179.95","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H22 F3 N O3 -","- C32 H22 F3 N O3 -","- C256 H176 F24 N8 O24 -","8","1","","Labrador, Geraldine M.; Besnard, Céline; Bürgi, Thomas; Poblador-Bahamonde, Amalia I.; Bosson, Johann; Lacour, Jérôme","Stereochemical significance of O to N atom interchanges within cationic helicenes: experimental and computational evidence of near racemization to remarkable enantiospecificity","Chemical Science","2019","","","","","10.1039/C9SC02127B","","x-ray","1.54184","CuKα","","0.0415","0.0369","","","0.0899","0.0938","","","","","","1.048","","","","has coordinates","216085","2020-10-21","18:00:00",""
"1551493","7.9096","0.0004","13.4176","0.0008","16.0932","0.001","86.244","0.005","78.883","0.005","89.014","0.005","1672.27","0.17","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 B Cl F4 N2 O2 -","- C40 H34 B Cl F4 N2 O2 -","- C80 H68 B2 Cl2 F8 N4 O4 -","2","1","","Labrador, Geraldine M.; Besnard, Céline; Bürgi, Thomas; Poblador-Bahamonde, Amalia I.; Bosson, Johann; Lacour, Jérôme","Stereochemical significance of O to N atom interchanges within cationic helicenes: experimental and computational evidence of near racemization to remarkable enantiospecificity","Chemical Science","2019","","","","","10.1039/C9SC02127B","","x-ray","1.54184","CuKα","","0.1321","0.0721","","","0.1638","0.2344","","","","","","1.097","","","","has coordinates","216085","2020-10-21","18:00:00",""
"1551494","16.5065","0.001","7.0663","0.0004","21.0475","0.0015","90","","90","","90","","2455","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0806","0.0552","","","0.1187","0.1315","","","","","","1.094","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551495","7.0113","0.0007","10.6464","0.0012","16.842","0.002","90","","90","","90","","1257.2","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N -","- C15 H12 Br N -","- C60 H48 Br4 N4 -","4","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0565","0.0334","","","0.0617","0.0683","","","","","","1.053","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551496","11.5292","0.0008","12.5645","0.0009","14.1583","0.001","78.035","0.001","85.101","0.002","85.372","0.001","1994.9","0.2","20","2","20","2","","","","","","","","8","P -1","-P 1","2","Pcorrole","","","- C22.5 H14.5 Cl1.5 F1.5 N2 O1.5 P0.5 S0.5 -","- C22.5 H14.5 Cl1.5 F1.5 N2 O1.5 P0.5 S0.5 -","- C90 H58 Cl6 F6 N8 O6 P2 S2 -","4","2","","Gilhula, James Connor; Radosevich, Alexander","Tetragonal Phosphorus(V) Cations As Tunable and Robust Catalytic Lewis Acids","Chemical Science","2019","","","","","10.1039/C9SC02463H","","","0.41328","synchrotron","","0.0694","0.0571","","","0.1492","0.1603","","","","","","1.043","","","","has coordinates","216087","2020-10-21","18:00:00",""
"1551497","23.0082","0.0011","18.241","0.0009","18.4271","0.0009","90","","127.241","0.002","90","","6156.8","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H11 B F41 N4 P -","- C69 H11 B F41 N4 P -","- C276 H44 B4 F164 N16 P4 -","4","1","","Gilhula, James Connor; Radosevich, Alexander","Tetragonal Phosphorus(V) Cations As Tunable and Robust Catalytic Lewis Acids","Chemical Science","2019","","","","","10.1039/C9SC02463H","","","0.71073","MoKα","","0.0499","0.0384","","","0.0901","0.0978","","","","","","1.026","","","","has coordinates","216087","2020-10-21","18:00:00",""
"1551514","12.8064","0.0002","15.7601","0.0003","17.3674","0.0002","70.329","0.001","75.142","0.001","70.305","0.001","3066.93","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C129.4 H116.8 Cl10.8 N8 O10 P4 Rh2 -","- C129.4 H116.8 Cl10.8 N8 O10 P4 Rh2 -","- C129.4 H116.8 Cl10.8 N8 O10 P4 Rh2 -","1","0.5","","Bai, Shaotao; Sinha, Vivek; Kluwer, Sander; Linnebank, Pim; Dydio, Pawel; Lutz, Martin; Abiri, Zohar; de Bruin, Bas; Reek, Joost N. H.","Effector responsive hydroformylation catalysis","Chemical Science","2019","","","","","10.1039/C9SC02558H","","","0.71073","MoKα","","0.0717","0.0529","","","0.1329","0.1457","","","","","","1.025","","","","has coordinates,has disorder","216121","2020-10-21","18:00:00",""
"1551515","12.7098","0.0003","15.9386","0.0004","17.4664","0.0006","70.142","0.001","74.739","0.001","69.74","0.001","3079.2","0.15","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2 -","- C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2 -","- C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2 -","1","0.5","","Bai, Shaotao; Sinha, Vivek; Kluwer, Sander; Linnebank, Pim; Dydio, Pawel; Lutz, Martin; Abiri, Zohar; de Bruin, Bas; Reek, Joost N. H.","Effector responsive hydroformylation catalysis","Chemical Science","2019","","","","","10.1039/C9SC02558H","","","0.71073","MoKα","","0.044","0.0373","","","0.1026","0.1073","","","","","","1.04","","","","has coordinates,has disorder","216121","2020-10-21","18:00:00",""
"1551516","10.4181","0.0004","10.6411","0.0004","16.2688","0.0006","80.586","0.003","89.162","0.003","62.19","0.004","1569.83","0.12","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 N14 O S4 Zn2 -","- C23 H26 N14 O S4 Zn2 -","- C46 H52 N28 O2 S8 Zn4 -","2","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","x-ray","0.71073","MoKα","","0.0457","0.036","","","0.0968","0.1022","","","","","","1.055","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551517","20.581","0.006","13.879","0.004","16.592","0.005","90","","90","","90","","4739","2","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0572","0.0367","","","0.0961","0.1079","","","","","","1.032","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551518","15.137","0.003","16.265","0.003","28.91","0.005","90","","90","","90","","7118","2","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C52 H72 N28 S8 Zn4 -","- C52 H72 N28 S8 Zn4 -","- C208 H288 N112 S32 Zn16 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0976","0.0615","","","0.1733","0.1975","","","","","","1.052","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551519","13.4772","0.0005","28.625","0.0008","14.2565","0.0005","90","","106.245","0.004","90","","5280.4","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.7103","","","0.0936","0.061","","","0.1606","0.1861","","","","","","1.065","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551520","20.55","0.03","7.366","0.012","17.52","0.03","90","","105.71","0.03","90","","2553","7","296.15","","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23 H23 Cl2 N7 S2 Zn -","- C23 H21 Cl2 N7 S2 Zn -","- C92 H84 Cl8 N28 S8 Zn4 -","4","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0998","0.0517","","","0.1338","0.169","","","","","","0.973","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551521","8.2418","0.0014","16.336","0.003","11.361","0.0019","90","","103.266","0.003","90","","1488.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.0689","0.0569","","","0.1592","0.1744","","","","","","1.036","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551522","14.4864","0.0012","7.2999","0.0005","19.0729","0.0015","90","","92.947","0.008","90","","2014.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F2 N O2 -","- C24 H21 F2 N O2 -","- C96 H84 F8 N4 O8 -","4","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.2098","0.0799","","","0.152","0.2074","","","","","","1.147","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551523","7.9798","0.0006","8.9908","0.0008","14.1265","0.0012","75.043","0.007","80.201","0.007","79.756","0.007","955.29","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 F N O2 -","- C24 H22 F N O2 -","- C48 H44 F2 N2 O4 -","2","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.1494","0.0667","","","0.1396","0.1935","","","","","","1.079","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551524","30.15","0.003","9.1044","0.0005","14.8046","0.0014","90","","94.49","0.008","90","","4051.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C200 H200 N8 O24 -","8","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","x-ray","0.71073","MoKα","","0.0786","0.0579","","","0.1521","0.174","","","","","","1.085","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551525","7.7872","0.0005","8.7869","0.0007","15.0163","0.0014","102.882","0.007","96.881","0.006","92.192","0.006","992.18","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C48 H46 N2 O6 -","2","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","x-ray","0.71073","MoKα","","0.1252","0.0776","","","0.2024","0.2433","","","","","","1.035","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551526","7.9984","0.0011","9.3801","0.0012","13.833","0.0018","76.64","0.004","80.682","0.004","79.49","0.004","985","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N O2 -","- C24 H22 Cl N O2 -","- C48 H44 Cl2 N2 O4 -","2","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.1312","0.0509","","","0.095","0.1099","","","","","","0.889","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551527","18.098","0.003","4.3275","0.0008","14.572","0.003","90","","104.283","0.003","90","","1106","0.4","90","2","90","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H26 Cl2 N2 O8 -","- C19 H20 Cl2 N2 O8 -","- C38 H40 Cl4 N4 O16 -","2","0.5","","MIKURIYA, Masahiro; KOYAMA, Yoshiki; MITSUHASHI, Ryoji","Synthesis and Crystal Structure of 1,3-Bis(5-chloro-3-methoxysalicylideneamino)-2-propanol Trihydrate","X-ray Structure Analysis Online","2019","35","0","33","","10.2116/xraystruct.35.33","","","0.71073","MoKα","","0.0903","0.0734","","","0.2011","0.214","","","","","","1.093","","","","has coordinates,has disorder","216137","2020-10-21","18:00:00",""
"1551528","10.3845","0.0015","11.1976","0.0015","20.389","0.004","82.119","0.01","85.34","0.01","68.871","0.007","2189.3","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","C17H20N3O2)2Fe2(OH)2(NO3)1.9553Br0.0447(H2O)8","","","- C34 H58 Br0.04 Fe2 N7.96 O19.87 -","- C34 H58 Br0.0447 Fe2 N7.9553 O19.8659 -","- C68 H116 Br0.0894 Fe4 N15.9106 O39.7318 -","2","1","","ZHANG, Xi; FURUTACHI, Hideki; OHYAMA, Yuya; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu","Crystal Structure of Bis(μ-hydroxo)diiron(III) Complex with Tripodal Ligands Having a Terminal Carboxylate Group","X-ray Structure Analysis Online","2019","35","0","17","","10.2116/xraystruct.35.17","","","0.71073","MoKα","","0.0481","0.0342","","","0.092","0.0972","","","","","","1.091","","","","has coordinates,has disorder","216138","2020-10-21","18:00:00",""
"1551529","13.0221","0.0014","11.6615","0.0013","8.4898","0.0009","90","","97.327","0.004","90","","1278.7","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-methoxy-6-((Z)-(p-tolyimino)- methyl)phenoxy)palladium","bis(2-methoxy-6-((Z)-(p-tolyimino)- methyl)phenoxy)palladium","","- C30 H28 N2 O4 Pd -","- C30 H26 N2 O4 Pd -","- C60 H52 N4 O8 Pd2 -","2","0.5","","KASSIM, Karimah; KAHAR, Muhammad Ashraf Mohd; YAMIN, Bohari M.; MANAN, Mohd Abdul Fatah Abdul; YUSOF, M. Sukeri M.","Crystal Structure of Bis(2-methoxy-6-((<i>Z</i>)-(<i>p</i>-tolylimino)methyl)phenoxy)palladium","X-ray Structure Analysis Online","2019","35","0","25","","10.2116/xraystruct.35.25","","","0.71073","MoKα","","0.0472","0.0349","","","0.0742","0.0824","","","","","","1.185","","","","has coordinates","216139","2020-10-21","18:00:00",""
"1551530","9.90587","0.00016","14.2978","0.0002","18.6626","0.0003","90","","101.667","0.0017","90","","2588.61","0.07","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co F6 N4 O6 S2 -","- C22 H16 Co F6 N4 O6 S2 -","- C88 H64 Co4 F24 N16 O24 S8 -","4","0.5","","TOYAMA, Mari; YAMAMOTO, Yu","Crystal Structure of <i>cis</i>-Bis(2,2′-bipyridyl)bis(trifluoromethanesulfonato)cobalt(II)","X-ray Structure Analysis Online","2019","35","0","21","","10.2116/xraystruct.35.21","","","1.54187","CuKα","","0.0397","0.0381","","","0.1006","0.1016","","","","","","1.084","","","","has coordinates","216140","2020-10-21","18:00:00",""
"1551531","12.0318","0.0015","7.6706","0.001","18.617","0.002","90","","105.089","0.002","90","","1658.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O2 Zn -","- C18 H18 N4 O2 Zn -","- C72 H72 N16 O8 Zn4 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)phenolato]zinc(II)","X-ray Structure Analysis Online","2019","35","0","15","","10.2116/xraystruct.35.15","","","0.71073","MoKα","","0.0712","0.0454","","","0.098","0.1096","","","","","","1.013","","","","has coordinates","216141","2020-10-21","18:00:00",""
"1551532","34.9877","0.0014","23.3809","0.0014","18.8662","0.0005","90","","90","","90","","15433.4","1.2","93","","93","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H94 Cl2 N12 O11 -","- C60 H94 Cl2 N12 O11 -","- C480 H752 Cl16 N96 O88 -","8","2","","ASANO, Akiko; DOI, Mitsunobu","Crystal Structure of Gramicidin S Hydrochloride at 1.1 Å Resolution","X-ray Structure Analysis Online","2019","35","0","1","","10.2116/xraystruct.35.1","","","1.54184","CuKα","","0.1793","0.165","","","0.4007","0.4081","","","","","","2.756","","","","has coordinates","216142","2020-10-21","18:00:00",""
"1551533","13.7667","0.0014","11.4666","0.0011","12.2213","0.0012","90","","116.242","0.002","90","","1730.4","0.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 O2 Zn -","- C20 H22 N4 O2 Zn -","- C80 H88 N16 O8 Zn4 -","4","0.5","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II)","X-ray Structure Analysis Online","2019","35","0","37","","10.2116/xraystruct.35.37","","","0.71073","MoKα","","0.0488","0.0401","","","0.1018","0.1064","","","","","","1.06","","","","has coordinates","216143","2020-10-21","18:00:00",""
"1551534","23.3026","0.0014","17.4118","0.0012","12.3816","0.0007","90","","109.032","0.008","90","","4749.1","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N4 Pt -","- C24 H26 Cl2 N4 Pt -","- C192 H208 Cl16 N32 Pt8 -","8","1","","KIWADA, Tatsuto; HIRASAKI, Aika; ODANI, Akira","Crystal Structure of (2,2′-Bipyridine)(<i>N</i>-(1-naphthyl)methyl-1,3-propanediamine)platinum(II) Chloride","X-ray Structure Analysis Online","2019","35","0","35","","10.2116/xraystruct.35.35","","","0.71073","MoKα","","0.0335","0.0242","","","0.0466","0.049","","","","","","1.034","","","","has coordinates,has disorder","216144","2020-10-21","18:00:00",""
"1551535","21.678","0.003","16.3791","0.0016","22.447","0.003","90","","111.522","0.002","90","","7414.5","1.6","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(C32H40N6)Fe2(OH)2(BPh4)2(Me2CO)1.2(Et2O)0.5","","","- C85.6 H94.2 B2 Fe2 N6 O3.7 -","- C85.6 H94.2 B2 Fe2 N6 O3.7 -","- C342.4 H376.8 B8 Fe8 N24 O14.8 -","4","1","","SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo","Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker","X-ray Structure Analysis Online","2019","35","0","5","","10.2116/xraystruct.35.5","","","0.71073","MoKα","","0.0546","0.0474","","","0.1191","0.1274","","","","","","1.067","","","","has coordinates,has disorder","216145","2020-10-21","18:00:00",""
"1551536","15.569","0.001","23.826","0.0008","24.821","0.002","90","","95.346","0.0003","90","","9167.2","1","108","","108","","","","","","","","","7","C 1 c 1","C -2yc","9","[LFe2(PhCO2)(MeCN)](BF4)2_2MeCN_3EtOH","","","- C96 H101 B2 F8 Fe2 N13 O6 -","- C96 H101 B2 F8 Fe2 N13 O6 -","- C384 H404 B8 F32 Fe8 N52 O24 -","4","1","","YASUDA, Yuichi; FURUTACHI, Hideki; HAYASHI, Yosuke; ISHIZAKI, Kana; FUJINAMI, Shuhei; AKINE, Shigehisa; SUZUKI, Masatatsu; NAGATOMO, Shigenori; KITAGAWA, Teizo","Crystal Structure of μ-Phenoxo-μ-benzoate-bridged Dinuclear Fe(II) Complex with a Dinucleating Ligand Having a Sterically Bulky Imidazolyl Group","X-ray Structure Analysis Online","2019","35","0","11","","10.2116/xraystruct.35.11","","","0.71073","MoKα","","0.0367","0.0336","","","0.0825","0.085","","","","","","1.029","","","","has coordinates,has disorder","216146","2020-10-21","18:00:00",""
"1551537","12.595","0.004","6.2362","0.0018","11.529","0.003","90","","90","","90","","905.5","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of 2-(4-Methylimidazolin-2-yl)phenol: an Another Polymorph","X-ray Structure Analysis Online","2019","35","0","9","","10.2116/xraystruct.35.9","","","0.71073","MoKα","","0.0692","0.046","","","0.093","0.0997","","","","","","1.026","","","","has coordinates,has disorder","216147","2020-10-21","18:00:00",""
"1551818","25.302","0.003","15.15","0.002","19.79","0.003","90","","95.315","0.003","90","","7553.4","1.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@Ih-C80 Ni(OEP)","Er3N@Ih-C80 Ni(OEP)","","- C128 H56 Er3 N5 Ni S0 -","- C128 H56 Er3 N5 Ni -","- C512 H224 Er12 N20 Ni4 -","4","0.5","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.71073","MoKα","","0.0488","0.0385","","","0.0882","0.0971","","","","","","1.089","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551819","25.548","0.005","15.259","0.005","19.989","0.005","90","0.005","95.273","0.005","90","0.005","7759","4","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@C2v-C82 Ni(OEP)","Er3N@C2v-C82 Ni(OEP)","","- C130 H56 Er3 N5 Ni S0 -","- C130 H56 Er3.0002 N5 Ni -","- C520 H224 Er12.0008 N20 Ni4 -","4","0.5","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.71069","MoKα","","0.1326","0.0917","","","0.2555","0.3079","","","","","","1.045","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551820","25.309","0.005","15.149","0.005","19.789","0.005","90","0.005","95.267","0.005","90","0.005","7555","3","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@D5h-C80 Ni(OEP)","Er3N@D5h-C80 Ni(OEP)","","- C128 H56 Er3 N5 Ni S0 -","- C128 H56 Er3.0001 N5 Ni -","- C512 H224 Er12.0004 N20 Ni4 -","4","0.5","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.71069","MoKα","","0.0666","0.0608","","","0.171","0.1767","","","","","","1.071","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551821","24.8075","0.0006","18.1337","0.0004","22.2769","0.0006","90","","100.419","0.001","90","","9856.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@D2-C88 Ni(OEP)","Er3N@D2-C88 Ni(OEP)","","- C284 H132 Er6 N14 Ni3 S0 -","- C284 H132 Er5.998 N14 Ni3 -","- C568 H264 Er11.996 N28 Ni6 -","2","0.25","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.82657","synchrotron","","0.1824","0.1567","","","0.3531","0.3711","","","","","","1.269","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551822","14.5795","0.0002","14.9763","0.0002","19.7722","0.0003","84.96","0.001","89.147","0.001","62.37","","3808.45","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Er3N@Cs-C84 Ni(OEP)","Er3N@Cs-C84 Ni(OEP)","","- C131.05 H54.85 Er3 N5 Ni S0.38 -","- C131.05 H54.86 Er3.0001 N5 Ni1.08 S0.38 -","- C262.1 H109.72 Er6.0002 N10 Ni2.16 S0.76 -","2","1","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.6525","synchrotron","","0.0767","0.0743","","","0.1892","0.1913","","","","","","1.019","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551823","18.689","0.0002","9.2907","0.0001","20.9995","0.0002","90","","93.745","0.001","90","","3638.44","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 F6 O6 S2 Si2 -","- C34 H34 F6 O6 S2 Si2 -","- C136 H136 F24 O24 S8 Si8 -","4","1","","Xin, Dehua; Qin, Anjun; Tang, Ben Zhong","Benzyne‒azide polycycloaddition: a facile route toward functional polybenzotriazoles","Polymer Chemistry","2019","10","31","4271","","10.1039/C9PY00632J","","x-ray","1.54184","CuKα","","0.0418","0.038","","","0.0967","0.099","","","","","","1.034","","","","has coordinates","225346","2020-10-21","18:00:00",""
"1551853","7.922","0.0002","18.8611","0.0004","19.2017","0.0005","90","","90","","90","","2869.07","0.12","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","2","","Sun, Fengna; Yang, Wan-Chun; Chen, Xiao-Bing; Sun, Yuli; Cao, Jian; Xu, Zheng; Xu, Li-Wen","Enantioselective Palladium/Copper-Catalyzed C-C Bond Activation Synergized with Sonogashira-Type C(sp3)-C(sp) Cross-Coupling Alkynylation","Chemical Science","2019","","","","","10.1039/C9SC02431J","","","1.54178","CuKα","","0.0325","0.0317","","","0.0867","0.0876","","","","","","1.049","","","","has coordinates","216486","2020-10-21","18:00:00",""
"1551854","14.5182","0.0015","8.2844","0.0012","17.8349","0.0018","90","","93.899","0.009","90","","2140.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CEL2HP","","","- C22 H19 F3 N4 O3 S -","- C22 H19 F3 N4 O3 S -","- C88 H76 F12 N16 O12 S4 -","4","1","LQ5020","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0968","0.0494","","","0.0891","0.1082","","","","","","0.987","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551855","10.0694","0.0008","10.6113","0.001","12.6499","0.0014","113.451","0.01","100.897","0.008","101.744","0.007","1157.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","CELMeHP","","","- C23 H21 F3 N4 O3 S -","- C23 H21 F3 N4 O3 S -","- C46 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.103","0.0675","","","0.178","0.2048","","","","","","1.033","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551856","7.4563","0.0009","13.01","0.0015","13.7231","0.0016","100.17","0.002","95.715","0.002","104.444","0.002","1254.4","0.3","298","2","298","","","","","","","","","6","P -1","-P 1","2","CELMeTFHP","","","- C24 H20 F6 N4 O3 S -","- C24 H20 F6 N4 O3 S -","- C48 H40 F12 N8 O6 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0624","0.0527","","","0.1321","0.1381","","","","","","1.08","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551857","7.6112","0.0009","11.3462","0.0014","15.1063","0.0018","105.897","0.002","102.702","0.002","101.93","0.002","1173.4","0.2","298","2","298","","","","","","","","","6","P -1","-P 1","2","CELOMeHP","","","- C23 H21 F3 N4 O4 S -","- C23 H21 F3 N4 O4 S -","- C46 H42 F6 N8 O8 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0694","0.0614","","","0.1668","0.1735","","","","","","1.035","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551858","23.819","0.003","8.4372","0.0005","23.45","0.002","90","","123.868","0.016","90","","3913","1","298","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","FUROS2PY","","","- C17 H21 Cl N3 O6.5 S -","- C17 H21.5 Cl N3 O6.5 S -","- C136 H172 Cl8 N24 O52 S8 -","8","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0726","0.0596","","","0.1601","0.1718","","","","","","1.058","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1551859","8.5442","0.0006","11.3615","0.0008","12.1409","0.0008","63.447","0.001","88.724","0.001","75.712","0.001","1016.37","0.12","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","FUROSCPR","","","- C18 H22 Cl N3 O6 S -","- C18 H22 Cl N3 O6 S -","- C36 H44 Cl2 N6 O12 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0601","0.0543","","","0.1514","0.1566","","","","","","1.066","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551860","11.116","0.005","8.447","0.002","21.388","0.007","90","","93.12","0.03","90","","2005.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FUROSVLM","","","- C17 H22 Cl N3 O7 S -","- C17 H22 Cl N3 O7 S -","- C68 H88 Cl4 N12 O28 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.1472","0.065","","","0.0875","0.1141","","","","","","0.987","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551861","6.8039","0.0005","13.5399","0.0008","18.8949","0.0013","90","","113.113","0.009","90","","1601","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HCT2HPFORMI","","","- C12 H13 Cl N4 O5 S2 -","- C12 H13 Cl N4 O5 S2 -","- C48 H52 Cl4 N16 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","1.54184","CuKα","","0.079","0.0717","","","0.1946","0.1991","","","","","","1.155","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551862","29.442","0.004","7.3421","0.0009","7.0867","0.0007","90","","90","","90","","1531.9","0.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","HCTHPFORMII","","","- C12 H13 Cl N4 O5 S2 -","- C12 H13 Cl N4 O5 S2 -","- C48 H52 Cl4 N16 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.1302","0.0805","","","0.1161","0.1278","","","","","","1.09","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551863","8.693","0.0006","10.6472","0.0007","12.8556","0.0009","113.672","0.001","98.9","0.001","95.358","0.001","1060.61","0.13","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","HCTVLM12","","","- C17 H26 Cl N5 O6 S2 -","- C17 H26 Cl N5 O6 S2 -","- C34 H52 Cl2 N10 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0322","0.0313","","","0.0813","0.0821","","","","","","1.055","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551864","11.8873","0.0012","19.315","0.002","21.733","0.002","90","","90","","90","","4990","0.9","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","HCTCPR12","","","- C19 H30 Cl N5 O6 S2 -","- C19 H30 Cl N5 O6 S2 -","- C152 H240 Cl8 N40 O48 S16 -","8","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0405","0.0359","","","0.0971","0.1016","","","","","","1.031","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551865","20.572","0.003","3.9052","0.0005","14.811","0.003","90","","110.95","0.02","90","","1111.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyluracil","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","1","RZ4031","Portalone, Gustavo","6-Methyluracil: a redetermination of polymorph (II)","IUCrData","2019","4","6","x190861","","10.1107/S2414314619008617","","x-ray","0.710689","MoKα","","0.0582","0.0483","","","0.1255","0.1333","","","","","","1.109","","","","has coordinates,has Fobs","216500","2020-10-21","18:00:00",""
"1551866","16.471","0.003","13.801","0.003","18.659","0.004","90","","91.86","0.03","90","","4239.3","1.5","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H39 Cu3 N8 O16.5 -","- C40 H39 Cu3 N8 O16.5 -","- C160 H156 Cu12 N32 O66 -","4","1","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0649","0.0518","","","0.1653","0.1736","","","","","","1.066","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1551867","14.695","0.003","5.165","0.001","31.873","0.006","90","","94.29","0.03","90","","2412.4","0.8","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu2 N4 O11 -","- C24 H20 Cu2 N4 O11 -","- C96 H80 Cu8 N16 O44 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.63","synchrotron","","0.0387","0.0336","","","0.091","0.0932","","","","","","1.082","","","","has coordinates","216502","2020-10-21","18:00:00",""
"1551868","7.8977","0.0016","13.599","0.003","10.051","0.002","90","","91.65","0.03","90","","1079","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0299","0.0286","","","0.0804","0.0811","","","","","","1.076","","","","has coordinates","216502","2020-10-21","18:00:00",""
"1551869","12.072","0.002","10.473","0.002","7.6968","0.0015","90","","127.27","0.03","90","","774.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N O5 -","- C7 H5 Cu N O5 -","- C28 H20 Cu4 N4 O20 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0372","0.0357","","","0.0989","0.1004","","","","","","1.106","","","","has coordinates","216502","2020-10-21","18:00:00",""
"1551870","41.526","0.008","10.852","0.002","13.786","0.003","90","","95.84","0.03","90","","6180","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 Cu6 N12 O16 -","- C68 H44 Cu6 N12 O16 -","- C272 H176 Cu24 N48 O64 -","4","0.5","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.63","synchrotron","","0.0636","0.0448","","","0.1204","0.1289","","","","","","1.07","","","","has coordinates,has disorder","216502","2020-10-21","18:00:00",""
"1551871","6.421","0.0013","15.619","0.003","11.765","0.002","90","","98.52","0.03","90","","1166.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cu N2 O6 -","- C10 H13 Cu N2 O6 -","- C40 H52 Cu4 N8 O24 -","4","1","","Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip","Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00759H","","","0.6","synchrotron","","0.0435","0.0324","","","0.079","0.0825","","","","","","1.013","","","","has coordinates,has disorder","216502","2020-10-21","18:00:00",""
"1551872","11.5634","0.0002","15.7484","0.0002","10.0607","0.0002","90","","96.193","0.001","90","","1821.41","0.05","275","6","275","6","","","","","","","hexane","4","P 1 21/c 1","-P 2ybc","14","","o-Cz","","- C25 H17 N O -","- C25 H17 N O -","- C100 H68 N4 O4 -","4","1","","Mao, Zhu; Zhang, Yi; Yang, Zhan; Xu, Chao; Xie, Zongliang; Jiang, Long; Gu, Feng Long; Zhao, Juan; Aldred, Matthew Phillip; Chi, Zhenguo","Two-Photon-Excited Ultralong Organic Room Temperature Phosphorescence by Operating Dual-Channel Triplet Harvesting","Chemical Science","2019","","","","","10.1039/C9SC02282A","","x-ray","1.54184","CuKα","","0.0417","0.039","","","0.1168","0.1203","","","","","","1.057","","","","has coordinates","216503","2020-10-21","18:00:00",""
"1551873","21.7258","0.002","13.1123","0.0011","17.0196","0.0015","90","","90","","90","","4848.5","0.7","150","2","150","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","(NH4)2[Mo6Br8(NCS)6].4(C3H6O)","","- C18 H32 Br8 Mo6 N8 O4 S6 -","- C18 H24 Br8 Mo6 N8 O4 S6 -","- C72 H96 Br32 Mo24 N32 O16 S24 -","4","0.5","","Kepenekian, Mikaël; Molard, Yann; Costuas, Karine; Lemoine, Pierric; Gautier, Régis; Ababou Girard, Soraya; Fabre, Bruno; Turban, Pascal; Cordier, Stéphane","Red-NIR luminescence of Mo6 monolayered assembly directly anchored on Au(001)","Materials Horizons","2019","6","9","1828","","10.1039/C9MH00724E","","x-ray","0.71073","MoKα","","0.1769","0.1073","","","0.2389","0.2757","","","","","","1.117","","","","has coordinates","225366","2020-10-21","18:00:00",""
"1551892","25.0146","0.0009","39.6995","0.0013","12.18","0.0004","90","","90","","90","","12095.6","0.7","170","2","170","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H80 Fe4 N3 S4 Te4 -","- C48 H80 Fe4 N3 S4 Te4 -","- C384 H640 Fe32 N24 S32 Te32 -","8","0.5","","Wittkamp, Florian; Mishra, Nakul; Wang, Hongxin; Wille, Hans-Christian; Steinbrügge, René; Kaupp, Martin; Cramer, Stephen P.; Apfel, Ulf-Peter; Pelmenschikov, Vladimir","Insights from 125Te and 57Fe Nuclear Resonance Vibrational Spectroscopy: a [4Fe-4Te] Cluster from Two Points of View","Chemical Science","2019","","","","","10.1039/C9SC02025J","","","0.71073","MoKα","","0.0313","0.0259","","","0.0522","0.0548","","","","","","1.089","","","","has coordinates","278190","2022-09-26","15:36:30",""
"1551893","14.025","0.007","11.576","0.007","18.285","0.009","90","","95.45","0.02","90","","2955","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N2,N2,N5,N5,N8,N8,N11,N11-(4-methoxyphenyl)perylene-2,5,8,11-tetraamine","","- C76 H64 N4 O8 -","- C76 H64 N4 O8 -","- C152 H128 N8 O16 -","2","0.5","","Merz, Julia; Steffen, Andreas; Nitsch, Jörn; Fink, Julian; Schürger, Claudia B.; Friedrich, Alexandra; Krummenacher, Ivo; Braunschweig, Holger; Moos, Michael; Mims, David; Lambert, Christoph; Marder, Todd B.","Synthesis, Photophysical and Electronic Properties of Tetra- Donor- or Acceptor-Substituted ortho-Perylenes Displaying Four Reversible Oxidations or Reductions","Chemical Science","2019","","","","","10.1039/C9SC02420D","","","0.71073","MoKα","","0.0847","0.047","","","0.1035","0.1182","","","","","","1.016","","","","has coordinates","216540","2020-10-21","18:00:00",""
"1551894","9.0187","0.0001","9.0187","0.0001","7.8058","0.0002","90","","90","","90","","634.9","0.019","295","","295","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- F Fe H4 O8 P2 -","- F Fe H4 O8 P2 -","- F4 Fe4 H16 O32 P8 -","4","0.125","","Ma, Zihan; Lander, Laura; Nishimura, Shin-ichi; Fukakusa, Chihoko; Yamada, Teppei; Okubo, Masashi; Yamada, Atsuo","Synthesis, crystal structure and possible proton conduction of Fe(H2PO4)2F","Solid State Ionics","2019","338","","134","","10.1016/j.ssi.2019.05.019","","x-ray","0.71073","MoKα","","0.023","0.023","","","0.0696","0.0696","","","","","","1.296","","","","has coordinates","216554","2020-10-21","18:00:00",""
"1551895","11.2054","0.0003","28.504","0.0008","18.0588","0.0005","90","","91.329","0.001","90","","5766.4","0.3","203","2","203","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Cl F3 N2 O4 Os P4 S -","- C64 H54 Cl F3 N2 O4 Os P4 S -","- C256 H216 Cl4 F12 N8 O16 Os4 P16 S4 -","4","1","","Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen","Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes","Faraday Discussions","2019","","","","","10.1039/C9FD00048H","","","1.54184","CuKα","","0.0333","0.0307","","","0.077","0.0791","","","","","","1.048","","","","has coordinates","216555","2020-10-21","18:00:00",""
"1551896","11.215","0.0006","28.5467","0.0012","18.0657","0.0007","90","","91.401","0.002","90","","5782","0.5","233","0.2","233","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Cl F3 N2 O4 Os P4 S -","- C64 H54 Cl F3 N2 O4 Os P4 S -","- C256 H216 Cl4 F12 N8 O16 Os4 P16 S4 -","4","1","","Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen","Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes","Faraday Discussions","2019","","","","","10.1039/C9FD00048H","","","0.71073","MoKα","","0.0392","0.0272","","","0.0618","0.0673","","","","","","0.991","","","","has coordinates","216555","2020-10-21","18:00:00",""
"1551897","11.803","0.0002","16.4826","0.0003","15.1932","0.0002","90","","96.418","0.001","90","","2937.22","0.08","173","0.14","173","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H53 Cl6 N O5 Os P4 -","- C60 H53 Cl6 N O5 Os P4 -","- C120 H106 Cl12 N2 O10 Os2 P8 -","2","1","","Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen","Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes","Faraday Discussions","2019","","","","","10.1039/C9FD00048H","","","1.54184","CuKα","","0.0283","0.0276","","","0.0708","0.0716","","","","","","1.019","","","","has coordinates,has disorder","216555","2020-10-21","18:00:00",""
"1551915","28.3329","0.0004","9.8848","0.0002","30.0449","0.0004","90","","118.103","0.001","90","","7422.5","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 Br O5 S Si2 -","- C33 H57 Br O5 S Si2 -","- C264 H456 Br8 O40 S8 Si16 -","8","2","","Freund, Robert R. A.; Gobrecht, Philipp; Rao, Zhigang; Gerstmeier, Jana; Schlosser, Robin; Görls, Helmar; Werz, Oliver; Fischer, Dietmar; Arndt, Hans-Dieter","Stereoselective total synthesis of parthenolides indicates target selectivity for tubulin carboxypeptidase activity","Chemical Science","2019","","","","","10.1039/C9SC01473J","","","0.71073","MoKα","","0.0685","0.0467","","","0.1043","0.1152","","","","","","1.042","","","","has coordinates","216586","2020-10-21","18:00:00",""
"1551916","18.8596","0.0008","13.4589","0.0006","23.9721","0.0011","90","","99.096","0.0013","90","","6008.3","0.5","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C132 H118 Ag2 Cl8 F12 N4 O2 Sb2 -","- C132 H118 Ag2 Cl8 F12 N4 O2 Sb2 -","- C264 H236 Ag4 Cl16 F24 N8 O4 Sb4 -","2","0.5","","Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko","Molecular recognition of planar and non-planar aromatic hydrocarbons through multipoint Ag‒π bonding in a dinuclear metallo-macrocycle","Chemical Science","2019","","","","","10.1039/C9SC02619C","","","0.71075","MoKα","","0.0951","0.0773","","","0.2113","0.2257","","","","","","1.025","","","","has coordinates,has disorder","216601","2020-10-21","18:00:00",""
"1551917","26.758","0.009","9.137","0.002","22.861","0.006","90","","109.102","0.018","90","","5281","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","18gtu172_ET1_bas","bodipy","","- C33 H27 B F2 N2 O -","- C33 H27 B F2 N2 O -","- C264 H216 B8 F16 N16 O8 -","8","1","","Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma","Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","8","2012","2022","10.1039/c9pp00201d","","","0.71073","MoKα","","0.1025","0.0668","","","0.1584","0.1824","","","","","","1.044","","","","has coordinates","225318","2020-10-21","18:00:00",""
"1551918","11.1241","0.0012","20.936","0.002","14.7692","0.0019","90","","94.332","0.006","90","","3429.8","0.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 F12 N6 P2 Ru -","- C32 H22 Cl2 F12 N6 P2 Ru -","- C128 H88 Cl8 F48 N24 P8 Ru4 -","4","1","","Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma","Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","8","2012","2022","10.1039/c9pp00201d","","","0.71073","MoKα","","0.1464","0.0581","","","0.1259","0.1622","","","","","","1.016","","","","has coordinates","225318","2020-10-21","18:00:00",""
"1551934","10.222","0.002","9.1756","0.0018","12.967","0.003","90","","112.96","0.03","90","","1119.9","0.5","153.15","","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O3 Rh -","- C24 H31 N O3 Rh -","- C48 H62 N2 O6 Rh2 -","2","1","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.71073","MoKα","","0.0324","0.0318","","","0.0734","0.0741","","","","","","1.055","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551935","12.96235","0.00017","10.15759","0.00011","14.61931","0.00018","90","","102.942","0.0012","90","","1875.97","0.04","105.4","","105.4","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N O Rh -","- C23 H26 N O Rh -","- C92 H104 N4 O4 Rh4 -","4","2","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.7107","MoKα","","0.0308","0.0273","","","0.0543","0.0565","","","","","","1.031","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551936","17.031","0.003","9.954","0.002","11.038","0.002","90","","111.66","0.03","90","","1739.1","0.7","153.15","","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 N O Rh -","- C21 H20 N O Rh -","- C84 H80 N4 O4 Rh4 -","4","1","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.710747","MoKα","","0.071","0.0572","","","0.1621","0.2138","","","","","","1.133","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551937","12.96","0.003","9.9","0.002","13.1","0.003","90","","109.53","0.03","90","","1584.1","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O Rh -","- C19 H19 N O Rh -","- C76 H76 N4 O4 Rh4 -","4","2","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.71073","MoKα","","0.044","0.0411","","","0.081","0.0834","","","","","","1.037","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551938","19.411","0.004","10.281","0.002","9.972","0.002","90","","94.88","0.03","90","","1982.8","0.7","153.15","","153.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C45 H43 Cl3 N2 O2 Rh2 -","- C45 H43 Cl3 N2 O2 Rh2 -","- C90 H86 Cl6 N4 O4 Rh4 -","2","0.5","","Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li","Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages","Polymer Chemistry","2019","10","30","4163","","10.1039/C9PY00594C","","","0.710747","MoKα","","0.0965","0.0818","","","0.2208","0.2663","","","","","","1.127","","","","has coordinates","225345","2020-10-21","18:00:00",""
"1551941","12.2648","0.0005","14.7116","0.0006","16.75","0.0008","90","","90","","90","","3022.3","0.2","260","2","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0542","0.032","","","0.0648","0.0719","","","","","","1.079","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551942","8.6055","0.0009","15.7668","0.0009","12.7192","0.0012","89.779","0.008","126.671","0.007","92.338","0.006","1382.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","1","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","1.54178","CuKα","","0.1136","0.098","","","0.2459","0.2651","","","","","","1.058","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551943","8.5839","0.0003","16.1495","0.0004","12.6794","0.0004","90","","126.348","0.002","90","","1415.7","0.08","185","","185","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","1.54178","CuKα","","0.0648","0.056","","","0.1498","0.1666","","","","","","1.107","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551944","8.6431","0.0002","15.4288","0.0004","12.7452","0.0003","90","","126.962","0.002","90","","1358.04","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","1.54178","CuKα","","0.0498","0.0433","","","0.1074","0.118","","","","","","1.057","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551945","12.3342","0.0006","14.4997","0.0007","15.8603","0.0008","90","","90","","90","","2836.5","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0537","0.0368","","","0.0692","0.0742","","","","","","1.146","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551946","12.3352","0.0006","14.622","0.0007","16.1726","0.0008","90","","90","","90","","2917","0.2","212","","212","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0762","0.0387","","","0.0695","0.0781","","","","","","1.113","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551947","8.296","0.005","16.684","0.009","12.654","0.007","90","","122.644","0.018","90","","1474.8","1.5","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Ag Fe0.5 N4 -","- C14 H10 Ag Fe0.5 N4 -","- C56 H40 Ag4 Fe2 N16 -","4","1","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1591","0.0908","","","0.2161","0.2666","","","","","","1.04","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551948","8.1397","0.0009","16.1472","0.0018","12.4881","0.0013","90","","123.039","0.004","90","","1375.9","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1203","0.0808","","","0.191","0.2156","","","","","","1.053","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551949","12.367","0.003","14.371","0.004","16.929","0.004","90","","90","","90","","3008.7","1.3","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1207","0.0882","","","0.2086","0.2334","","","","","","1.096","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551950","8.1858","0.0008","16.4312","0.0016","12.5534","0.0012","90","","122.72","0.003","90","","1420.5","0.2","185","","185","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Ag2 Fe N8 -","- C28 H20 Ag2 Fe N8 -","- C56 H40 Ag4 Fe2 N16 -","2","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1322","0.0841","","","0.2095","0.2435","","","","","","1.05","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551951","12.2405","0.0007","13.9694","0.0009","16.0892","0.0009","90","","90","","90","","2751.1","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0591","0.0482","","","0.1002","0.1054","","","","","","1.099","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551952","12.2235","0.0006","14.0648","0.0007","16.3631","0.0007","90","","90","","90","","2813.2","0.2","178","","178","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0698","0.0515","","","0.1179","0.1281","","","","","","1.075","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551953","18.3378","0.001","20.9587","0.001","22.0613","0.0012","90","","91.6688","0.0018","90","","8475.4","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.75 H87.5 B4 Cl7.5 O20 -","- C75.75 H87.5 B4 Cl7.5 O20 -","- C303 H350 B16 Cl30 O80 -","4","1","","Ono, Kosuke; Niibe, Morikazu; Iwasawa, Nobuharu","A K±promoted Diels‒Alder reaction by using a self-assembled macrocyclic boronic ester containing two crown ether moieties","Chemical Science","2019","","","","","10.1039/C9SC01597C","","","1.54186","CuKα","","0.2748","0.1203","","","0.317","0.413","","","","","","0.893","","","","has coordinates,has disorder","216716","2020-10-21","18:00:00",""
"1551954","10.3101","0.0003","18.3821","0.0005","16.3489","0.0004","90","","93.091","0.002","90","","3093.96","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 B O4 -","- C36 H39 B O4 -","- C144 H156 B4 O16 -","4","2","","Ando, Naoki; Soutome, Hiroki; Yamaguchi, Shigehiro","Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom","Chemical Science","2019","","","","","10.1039/C9SC02314C","","","0.78255","Synchrotron","","0.0588","0.0425","","","0.0921","0.111","","","","","","1.134","","","","has coordinates","216717","2020-10-21","18:00:00",""
"1551955","13.313","0.002","11.317","0.002","22.471","0.004","90","","90","","90","","3385.6","1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35.4 H34.6 B O4 -","- C35.4 H34.6 B O4 -","- C141.6 H138.4 B4 O16 -","4","1","","Ando, Naoki; Soutome, Hiroki; Yamaguchi, Shigehiro","Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom","Chemical Science","2019","","","","","10.1039/C9SC02314C","","","0.71075","MoKa","","0.0801","0.0616","","","0.1602","0.1706","","","","","","1.026","","","","has coordinates","216717","2020-10-21","18:00:00",""
"1551956","10.452","0.002","5.5211","0.0011","37.598","0.008","90","","96.31","0.03","90","","2156.5","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","","Zhao, Dongbing; Zhang, Yun; Chen, Gong","Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids","Chemical Science","2019","","","","","10.1039/C9SC02182E","","","0.71073","MoKα","","0.0736","0.0612","","","0.1501","0.1627","","","","","","1.076","","","","has coordinates","216718","2020-10-21","18:00:00",""
"1551957","20.542","0.004","74.483","0.015","5.9207","0.0012","90","","90","","90","","9059","3","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C480 H464 N16 O32 -","16","1","","Zhao, Dongbing; Zhang, Yun; Chen, Gong","Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids","Chemical Science","2019","","","","","10.1039/C9SC02182E","","","0.71073","MoKα","","0.058","0.0487","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","216718","2020-10-21","18:00:00",""
"1551958","8.0582","0.0002","13.8661","0.0002","24.9576","0.0005","90","","90","","90","","2788.66","0.1","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2CzSPz","2CzDPS","","- C36 H24 N2 O2 S2 -","- C36 H24 N2 O2 S2 -","- C144 H96 N8 O8 S8 -","4","1","","Yang, Zhan; Mao, Zhu; Xu, Chao; Chen, Xiaojie; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Wu, William; Jiao, Shibo; Liu, Yang; Aldred, Matthew Phillip; Chi, Zhenguo","A Sterically Hindered Asymmetric D-A-D' Thermally Activated Delayed Fluorescence Emitter for Highly-Efficient Non-doped Organic Light-Emitting Diodes","Chemical Science","2019","","","","","10.1039/C9SC01686D","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.1049","0.1073","","","","","","1.076","","","","has coordinates","216719","2020-10-21","18:00:00",""
"1551983","10.1576","0.0005","8.6724","0.0005","15.2277","0.0008","90","","97.993","0.003","90","","1328.39","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 -","- C15 H17 Cl N2 -","- C60 H68 Cl4 N8 -","4","1","","Touchette, Samuel J.; Dunkley, Evan M.; Lowder, Leah L.; Wu, Jimmy","Nucleophile-intercepted Beckmann Fragmentation Reactions","Chemical Science","2019","","","","","10.1039/C9SC00926D","","","1.54178","CuKα","","0.0362","0.034","","","0.091","0.0926","","","","","","1.068","","","","has coordinates","216756","2020-10-21","18:00:00",""
"1551984","7.5795","0.0006","8.9959","0.0007","10.1131","0.0008","94.1119","0.0009","97.9337","0.0009","104.181","0.0008","658.13","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Cl N2 -","- C15 H17 Cl N2 -","- C30 H34 Cl2 N4 -","2","1","","Touchette, Samuel J.; Dunkley, Evan M.; Lowder, Leah L.; Wu, Jimmy","Nucleophile-intercepted Beckmann Fragmentation Reactions","Chemical Science","2019","","","","","10.1039/C9SC00926D","","","0.71073","MoKα","","0.0524","0.0422","","","0.1031","0.112","","","","","","1.041","","","","has coordinates","216756","2020-10-21","18:00:00",""
"1551986","8.3302","0.0003","24.2725","0.0008","11.2388","0.0005","90","","108.153","0.004","90","","2159.32","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl N3 O -","- C27 H20 Cl N3 O -","- C108 H80 Cl4 N12 O4 -","4","1","","Guru, Murali Mohan; De, Sriman; Dutta, Sayan; Koley, Debasis; Maji, Biplab","B(C6F5)3-Catalyzed Dehydrogenative Cyclization of N-Tosylhydrazones and Anilines via a Lewis Adduct: A Combined Experimental and Computational Investigations","Chemical Science","2019","","","","","10.1039/C9SC02492A","","x-ray","0.71073","MoKα","","0.0595","0.0488","","","0.1193","0.1279","","","","","","1.172","","","","has coordinates","216777","2020-10-21","18:00:00",""
"1551987","29.638","0.003","9.9154","0.0009","17.199","0.002","90","","102.137","0.008","90","","4941.3","0.9","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C256 H192 N16 O24 -","8","2","","Alfonzo, Edwin; Beeler, Aaron B.","A sterically encumbered photoredox catalyst enables the unified synthesis of the classical lignan family of natural products","Chemical Science","2019","","","","","10.1039/C9SC02682G","","","1.54178","CuKα","","0.0876","0.0752","","","0.205","0.2197","","","","","","1.055","","","","has coordinates","216778","2020-10-21","18:00:00",""
"1552033","14.3566","0.0004","13.3287","0.0003","23.2251","0.0007","90","","99.837","0.002","90","","4378.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.55 H40.72 Cl7 P Rh2 Si2 -","- C39.549 H40.728 Cl7 P Rh2 Si2 -","- C158.196 H162.912 Cl28 P4 Rh8 Si8 -","4","1","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","0.71073","MoKα","","0.0511","0.0429","","","0.0725","0.0746","","","","","","1.235","","","","has coordinates,has disorder","216847","2020-10-21","18:00:00",""
"1552034","18.6773","0.0005","20.3524","0.0004","21.3813","0.0005","90","","115.129","0.002","90","","7358.4","0.3","153.15","","153.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C67 H65 Cl6 F6 O6 P3 Rh2 S2 Si2 -","- C63 F3 O3 P3 Rh2 S Si2 -","- C252 F12 O12 P12 Rh8 S4 Si8 -","4","1","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","1.54186","CuKα","","0.0899","0.0652","","","0.1713","0.1845","","","","","","1.038","","","","has coordinates","216847","2020-10-21","18:00:00",""
"1552035","13.5229","0.0013","14.4511","0.0013","16.9413","0.0016","82.096","0.002","83.193","0.002","72.058","0.002","3109.6","0.5","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C32.95 H34.41 F1.5 O2.74 P Rh0.5 S0.5 Si -","- C32.966 H35.947 F1.5 O2.7415 P Rh0.5 S0.5 Si -","- C131.864 H143.788 F6 O10.966 P4 Rh2 S2 Si4 -","4","2","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","","0.71073","MoKα","","0.0682","0.0459","","","0.112","0.1303","","","","","","1.056","","","","has coordinates,has disorder","216847","2020-10-21","18:00:00",""
"1552036","12.7709","0.0007","23.1638","0.0013","24.3054","0.0014","116.325","0.002","96.234","0.002","102.612","0.002","6113","0.6","108","2","108.1","","","","","","","","","9","P -1","-P 1","2","","","","- C55.88 H63.37 F6 N5.38 O6 P Rh2 S2 Si2 -","- C55.8745 H63.3725 F5.9985 N5.375 O5.9985 P Rh2 S1.9995 Si2 -","- C223.498 H253.49 F23.994 N21.5 O23.994 P4 Rh8 S7.998 Si8 -","4","2","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","0.71073","MoKα","","0.1501","0.1086","","","0.2679","0.2987","","","","","","1.07","","","","has coordinates,has disorder","216847","2020-10-21","18:00:00",""
"1552037","10.5393","0.0003","13.589","0.0004","15.1402","0.0004","90.049","0.002","96.419","0.002","91.948","0.002","2153.49","0.11","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C8.67 H8.22 F1.33 O1.33 P0.22 Rh0.44 S0.44 Si0.44 -","- C8.66667 H8.22222 F1.33333 O1.33333 P0.222222 Rh0.444444 S0.444444 Si0.444444 -","- C78 H74 F12 O12 P2 Rh4 S4 Si4 -","9","4.5","","Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg","Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh‒H Intermediates","Chemical Science","2019","","","","","10.1039/C9SC02683E","","x-ray","0.71073","MoKα","","0.0503","0.0334","","","0.066","0.0735","","","","","","1.049","","","","has coordinates","216847","2020-10-21","18:00:00",""
"1552074","23.2194","0.0002","13.3239","0.00011","20.5843","0.0002","90","","111.85","0.0012","90","","5910.73","0.1","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N O6 -","- C36 H35 N O6 -","- C288 H280 N8 O48 -","8","2","","Muhammad Sohail; Fujie Tanaka","Dynamic stereoselective annulation via aldol-oxa-cyclization cascade reaction to afford spirooxindole pyran polycycles","Communications Chemistry","2019","2","","73","","10.1038/s42004-019-0177-5","","","1.54184","CuKα","","0.047","0.043","","","0.116","0.1194","","","","","","1.042","","","","has coordinates","216892","2020-10-21","18:00:00",""
"1552075","9.50696","0.00008","45.2923","0.0003","13.97165","0.00013","90","","106.387","0.0009","90","","5771.7","0.09","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 N O5 -","- C36 H35 N O5 -","- C288 H280 N8 O40 -","8","2","","Muhammad Sohail; Fujie Tanaka","Dynamic stereoselective annulation via aldol-oxa-cyclization cascade reaction to afford spirooxindole pyran polycycles","Communications Chemistry","2019","2","","73","","10.1038/s42004-019-0177-5","","","1.54184","CuKα","","0.0432","0.0422","","","0.1079","0.1089","","","","","","1.035","","","","has coordinates,has disorder","216893","2020-10-21","18:00:00",""
"1552076","3.6254","0.0017","6.407","0.007","4.948","0.003","90","","111.48","0.06","90","","106.95","0.15","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Rhenium nitride pernitride","","- N2 Re -","- N2 Re -","- N8 Re4 -","4","1","","Bykov, Maxim; Chariton Stella; Fedotenko Timofey; Ponomareva Alena V.; Tasnadi Ferenc; Vogel Sebastian; Schnick Wolfgang; Prakapenka Vitali; Hanfland Michael; Liermann Hanns-Peter; Abrikosov Igor A.; Dubrovinskaia Natalia; Dubrovinsky Leonid","High-pressure synthesis of an ultraincompressible and hard material ReN2 stable at ambient conditions","Nature Communications","2019","10","","2994","","10.1038/s41467-019-10995-3","","x-ray","0.2903","synchrotron","","0.0351","0.035","","","0.088","0.0882","","","","","","1.103","","","","has coordinates,has Fobs","216895","2020-10-21","18:00:00",""
"1552081","16.0488","0.0008","11.2984","0.0006","19.648","0.001","90","","112.379","0.004","90","","3294.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iodo(triphenyl)silane","","- C18 H15 I Si -","- C18 H15 I Si -","- C144 H120 I8 Si8 -","8","1","HB4304","Schödel, Frauke; Lerner, Hans-Wolfram; Trageser, Timo; Bolte, Michael","Iodo(triphenyl)silane","IUCrData","2019","4","7","x190959","","10.1107/S2414314619009593","","","0.71073","MoKα","","0.0993","0.0727","","","0.1369","0.1528","","","","","","1.341","","","","has coordinates,has Fobs","216922","2020-10-21","18:00:00",""
"1552082","6.3966","0.0009","11.7504","0.0016","13.3579","0.0019","104.407","0.001","96.978","0.001","93.267","0.001","961.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua[μ~4~-2-(carboxylatomethoxy)benzoato][μ~2~-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","","- C18 H16 Cd2 O12 -","- C18 H16 Cd2 O12 -","- C36 H32 Cd4 O24 -","2","1","LH4046","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","IUCrData","2019","4","7","","","10.1107/S2414314619009532","","","0.71073","MoKα","","0.0274","0.0239","","","0.0546","0.0573","","","","","","1.059","","","","has coordinates,has Fobs","216923","2020-10-21","18:00:00",""
"1552086","10.249","0.0013","12.0899","0.0015","17.74","0.002","90","","91.269","0.002","90","","2197.6","0.5","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","CholestCAACCuCl","","- C46 H74 Cl Cu N2 -","- C46 H74 Cl Cu N2 -","- C92 H148 Cl2 Cu2 N4 -","2","1","","Pichon, Delphine; Soleilhavoup, Michele; Morvan, Jennifer; Junor, Glen P.; Vives, Thomas; Crévisy, Christophe; Lavallo, Vincent; Campagne, Jean-Marc; Mauduit, Marc; Jazzar, Rodolphe; Bertrand, Guy","The debut of chiral cyclic (alkyl)(amino)carbenes (CAACs) in enantioselective catalysis","Chemical Science","2019","","","","","10.1039/C9SC02810B","","","0.71073","MoKα","","0.0432","0.0324","","","0.0668","0.0695","","","","","","0.947","","","","has coordinates","216965","2020-10-21","18:00:00",""
"1552087","19.98","","20.43","","13.61","","90","","90","","90","","5555.48","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","FC5033","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2603","0.2178","","","0.5024","0.5448","","","","","","1.405","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552088","20.58","","19.6","","13.74","","90","","90","","90","","5542.28","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.3058","0.2385","","","0.5479","0.5875","","","","","","1.597","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552089","20.39","","20.08","","13.57","","90","","90","","90","","5555.98","","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","ZSM-5","Si-MFI","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2273","0.196","","","0.446","0.4735","","","","","","1.075","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552090","18.12","","20","","7.7","","90","","90","","90","","2790.48","","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Si-MOR","","- O128 Si64 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.3181","0.291","","","0.6105","0.6472","","","","","","2.159","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552091","55.07","","55.07","","55.07","","90","","90","","90","","167011","","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","PST-20","PST-20","","- O5280 Si2640 -","- O5280 Si2640 -","- O5280 Si2640 -","1","0.0104167","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.5294","0.49","","","0.8459","0.8583","","","","","","3.224","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552092","45.07","","45.07","","45.07","","90","","90","","90","","91550.9","","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","ZSM-25","Si-MWF","","- O2880 Si1440 -","- O2880 Si1440 -","- O2880 Si1440 -","1","0.0104167","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.5268","0.4863","","","0.8264","0.8448","","","","","","3.065","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552093","16.5","0.4","16.5","0.4","29.8","0.8","90","","90","","90","","8113","4","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","PCN-416","PCN-416","","- C192 O96.16 Ti16 Zr4 -","- C192 O96.16 Ti16 Zr4 -","- C192 O96.16 Ti16 Zr4 -","1","0.0625","","Wang, Bin; Zou, Xiaodong; Smeets, Stef","Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination","IUCrJ","2019","6","5","","","10.1107/S2052252519007681","","","0.0251","electron","","0.2785","0.2163","","","0.4738","0.5351","","","","","","1.301","","","","has coordinates","216970","2020-10-21","18:00:00",""
"1552096","11.6975","0.0002","15.0053","0.0003","19.3767","0.0003","90","","94.765","0.002","90","","3389.33","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 O4 P2 Pd -","- C40 H36 O4 P2 Pd -","- C160 H144 O16 P8 Pd4 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0354","0.0289","","","0.0703","0.0743","","","","","","1.043","","","","has coordinates","216988","2020-10-21","18:00:00",""
"1552097","11.0527","0.0002","23.8864","0.0004","17.0272","0.0002","90","","99.5561","0.0016","90","","4432.96","0.12","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 O4 P2 Pd2 -","- C52 H46 O4 P2 Pd2 -","- C208 H184 O16 P8 Pd8 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0314","0.0243","","","0.0547","0.0576","","","","","","1.034","","","","has coordinates","216988","2020-10-21","18:00:00",""
"1552098","13.5043","0.0004","13.6723","0.0004","14.3402","0.0004","92.507","0.002","111.038","0.002","96.346","0.002","2446.12","0.13","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60.39 H59.39 O0.39 P3 Pd -","- C60.391 H59.391 O0.391 P3 Pd -","- C120.782 H118.782 O0.782 P6 Pd2 -","2","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","0.71073","MoKα","","0.0409","0.0326","","","0.0656","0.0701","","","","","","1.062","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552099","16.3726","0.0005","23.1564","0.0006","18.9888","0.0004","90","","95.645","0.002","90","","7164.3","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H73 Br2 O P5 Pd3 -","- C82 H73 Br2 O P5 Pd3 -","- C328 H292 Br8 O4 P20 Pd12 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0884","0.0704","","","0.163","0.1714","","","","","","1.202","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552100","17.6962","0.0002","18.85329","0.00016","29.4453","0.0003","90","","106.759","0.0012","90","","9406.6","0.17","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H70 Cl17 P5 Pd3 -","- C83 H70 Cl17 P5 Pd3 -","- C332 H280 Cl68 P20 Pd12 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0438","0.0358","","","0.0917","0.0978","","","","","","1.033","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552101","11.8269","0.0002","29.4867","0.0005","14.1794","0.0002","90","","108.729","0.0019","90","","4683.03","0.14","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H51 O3 P3 Pd2 -","- C54 H51 O3 P3 Pd2 -","- C216 H204 O12 P12 Pd8 -","4","1","","Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.","The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters","Chemical Science","2019","","","","","10.1039/C9SC01847F","","x-ray","1.54184","CuKα","","0.0353","0.0278","","","0.0646","0.0684","","","","","","1.022","","","","has coordinates,has disorder","216988","2020-10-21","18:00:00",""
"1552102","17.2565","0.0018","26.289","0.003","19.28","0.002","90","","95.108","0.001","90","","8711.8","1.6","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C156 H144 Au13 Cu2 F6 P6 S6 Sb -","- C156 H144 Au13 Cu2 F6 P6 S6 Sb -","- C312 H288 Au26 Cu4 F12 P12 S12 Sb2 -","2","0.5","","Zhou, Chuanjun; Li, Hao; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou","Insights into the effect of surface coordination on the structure and properties of Au<sub>13</sub>Cu<sub>2</sub> nanoclusters.","Nanoscale","2019","11","41","19393","19397","10.1039/c9nr04457d","","","0.71073","MoKα","","0.1032","0.0574","","","0.1415","0.16","","","","","","1.07","","","","has coordinates","224660","2020-10-21","18:00:00",""
"1552103","12.075","0.0006","12.075","0.0006","12.075","0.0006","90","","90","","90","","1760.6","0.15","","","","","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","titanian andradite","","titanian andradite","- Ca3 Fe -","- Al0.09 Ca3 Fe1.28 Mg0.22 O12 Si2.7 Ti0.5 -","- Al0.72 Ca24 Fe10.24 Mg1.76 O96 Si21.6 Ti4 -","8","0.0833333","","Schmitt, A.C.; Tokuda, M.; Yoshiasa, A.; Nishiyama, T.","Titanian andradite in the Nomo rodingite: Chemistry, crystallography, and reaction relations","Journal of Mineralogical and Petrological Sciences","2019","114","","111","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","217003","2020-10-21","18:00:00",""
"1552104","7.2599","0.0005","9.4979","0.0007","11.9596","0.0008","106.149","0.002","90.236","0.002","108.939","0.002","745.18","0.09","446","2","446","2","","","","","","","","7","P -1","-P 1","2","","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H14 Cl F N2 O2 S -","- C14 H14 Cl F N2 O2 S -","- C28 H28 Cl2 F2 N4 O4 S2 -","2","1","HB4301","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2019","4","7","x190960","","10.1107/S241431461900960X","","","0.71073","MoKα","","0.0727","0.0543","","","0.1492","0.158","","","","","","1.03","","","","has coordinates,has Fobs","217013","2020-10-21","18:00:00",""
"1552105","7.0809","0.0001","16.7912","0.0003","6.5001","0.0001","90","","90","","90","","772.84","0.02","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Bis(2-methyllactato)borate tetrahydrate","3,3,8,8-Tetramethyl-1,4,6,9-tetraoxa-λ^4^-boraspiro[4.4]nonane-2,7-dione tetrahydrate","","- C8 H20 B O10 -","- C8 H20 B O10 -","- C16 H40 B2 O20 -","2","0.5","","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(2-methyllactato)borate tetrahydrate","IUCrData","2019","4","7","x190982","","10.1107/S2414314619009829","","","0.71073","MoKα","","0.0383","0.036","","","0.0917","0.0942","","","","","","1.081","","","","has coordinates,has Fobs","217014","2020-10-21","18:00:00",""
"1552106","11.1629","0.0002","8.7778","0.0001","15.3748","0.0003","90","","101.558","0.002","90","","1475.96","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","","- C26 H38 O15 -","- C26 H38 O15 -","- C52 H76 O30 -","2","1","","Bollard, H. E.; Banwell, M. G.; Ward, J. S.","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","IUCrData","2019","4","7","x190986","","10.1107/S2414314619009866","","x-ray","1.54184","CuKα","","0.0376","0.0366","","","0.0965","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","217015","2020-10-21","18:00:00",""
"1552107","18.7682","0.0011","13.7292","0.0006","31.4518","0.0016","90","","106.951","0.006","90","","7752.2","0.7","291","","291","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H31 Cl N4 Zn -","- C45 H31 Cl N4 Zn -","- C360 H248 Cl8 N32 Zn8 -","8","1","","Ge, Yuansheng; Cheng, Guoe; Xu, Nanfeng; Wang, Weizhou; Ke, Hanzhong","Zinc 2-N-Methyl N-confused porphyrin: An Efficient Catalyst for the Conversion of CO2 into Cyclic Carbonates","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00739C","","x-ray","0.71073","MoKα","","0.1416","0.0811","","","0.1694","0.1958","","","","","","1.054","","","","has coordinates","217017","2020-10-21","18:00:00",""
"1552108","20.7441","0.0003","10.7498","0.00016","21.6524","0.0003","90","","101.754","0.0014","90","","4727.14","0.12","100","0.3","100","0.3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H71 O19 P V6 -","- C32 H71 O19 P V6 -","- C128 H284 O76 P4 V24 -","4","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0584","0.0568","","","0.1553","0.1568","","","","","","1.055","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552109","33.341","0.0003","10.7669","0.0001","20.2152","0.0002","90","","92.608","0.001","90","","7249.32","0.12","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H47 O19 P V6 -","- C20 H47 O19 P V6 -","- C160 H376 O152 P8 V48 -","8","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0445","0.0414","","","0.1165","0.1188","","","","","","1.079","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552110","13.7288","0.0001","16.0095","0.0001","18.8692","0.0002","90","","90","","90","","4147.28","0.06","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 O19 P V6 -","- C30 H51 O19 P V6 -","- C120 H204 O76 P4 V24 -","4","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0417","0.0395","","","0.1074","0.1088","","","","","","1.09","","","","has coordinates","217045","2020-10-21","18:00:00",""
"1552111","11.0627","0.0008","10.8304","0.0007","16.9545","0.0012","90","","108.004","0.008","90","","1931.9","0.2","100","0.4","100","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H49 O19 P V6 -","- C25 H49 O19 P V6 -","- C50 H98 O38 P2 V12 -","2","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.1425","0.1213","","","0.2832","0.3019","","","","","","1.093","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552112","20.7527","0.0003","20.6175","0.0003","17.6285","0.0003","90","","106.417","0.002","90","","7235.2","0.2","192.99","0.1","192.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H45 O19 P V6 -","- C15 H45 O19 P V6 -","- C120 H360 O152 P8 V48 -","8","2","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.1242","0.0967","","","0.2638","0.2878","","","","","","1.048","","","","has coordinates,has disorder","217045","2020-10-21","18:00:00",""
"1552113","17.667","0.0004","12.8871","0.0003","11.7476","0.0003","90","","90","","90","","2674.65","0.11","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","","- C22 H26 Br2 Cl2 N4 O Pd -","- C22 H26 Br2 Cl2 N4 O Pd -","- C88 H104 Br8 Cl8 N16 O4 Pd4 -","4","1","RZ4032","Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","7","x190899","","10.1107/S241431461900899X","","x-ray","1.54184","CuKα","","0.0551","0.0486","","","0.1293","0.1379","","","","","","1.031","","","","has coordinates,has Fobs","217103","2020-10-21","18:00:00",""
"1552114","9.384","0.003","11.032","0.004","14.827","0.005","90","","102.609","0.004","90","","1497.9","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BH4047","McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O.","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","IUCrData","2019","4","7","x190951","","10.1107/S2414314619009519","","","0.71073","MoKα","","0.132","0.0792","","","0.203","0.2334","","","","","","1.077","","","","has coordinates,has Fobs","217104","2020-10-21","18:00:00",""
"1552116","46.5364","0.0017","4.8799","0.0002","16.5283","0.0006","90","","100.576","0.004","90","","3689.7","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N4 O8 -","- C44 H38 N4 O8 -","- C176 H152 N16 O32 -","4","0.5","","Wang, Zhuoer; Cheng, Qiuhong; Xing, Pengyao; Cao, Zhaozhen; Hao, Aiyou","Hydrogen bonded co-assembly of aromatic amino acids and bipyridines that serves as a sacrificial template in superstructure formation.","Soft matter","2019","15","32","6596","6603","10.1039/c9sm01271k","","x-ray","1.54178","CuKα","","0.0892","0.0723","","","0.1897","0.2012","","","","","","1.126","","","","has coordinates","225356","2020-10-21","18:00:00",""
"1552117","13.479","0.003","11.213","0.002","22.552","0.005","90","","90","","90","","3408.5","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)\ hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane","","- C32 H22 F12 N4 O2 -","- C32 H22 F12 N4 O2 -","- C128 H88 F48 N16 O8 -","4","0.5","HB4306","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate","IUCrData","2019","4","7","x191010","","10.1107/S2414314619010101","","","0.7879","synchrotron","","0.1153","0.0792","","","0.1897","0.2152","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","217192","2020-10-21","18:00:00",""
"1552118","5.4399","0.0004","6.3599","0.0004","11.0232","0.0008","96.702","0.001","92.728","0.001","98.599","0.001","373.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","1","0.5","ZL4031","Bosch, Eric","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","IUCrData","2019","4","7","x190993","","10.1107/S2414314619009933","","","0.71073","MoKα","","0.0134","0.0131","","","0.0315","0.0317","","","","","","1.094","","","","has coordinates,has Fobs","217193","2020-10-21","18:00:00",""
"1552119","14.265","0.008","8.06","0.004","17.564","0.009","90","","90","","90","","2019.4","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-nitro-1,10-phenanthroline","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C96 H64 N32 O16 -","8","1","HB4300","Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.","5-Amino-6-nitro-1,10-phenanthroline","IUCrData","2019","4","7","x191016","","10.1107/S2414314619010162","","","0.71073","MoKα","","0.1332","0.0579","","","","0.1758","","","","","","1.027","","","","has coordinates,has Fobs","217194","2020-10-21","18:00:00",""
"1552120","19.053","0.0003","20.7671","0.0002","17.0951","0.0002","90","","103.403","0.001","90","","6579.88","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Mg N2 -","- C35 H52 Mg N2 -","- C280 H416 Mg8 N16 -","8","2","","García, Lucía; Dinoi, Chiara; Mahon, Mary F.; Laurent, Maron; Hill, Michael","Magnesium hydride alkene insertion and catalytic hydrosilylation","Chemical Science","2019","","","","","10.1039/C9SC02056J","","x-ray","1.54184","CuKα","","0.076","0.0511","","","0.139","0.1563","","","","","","1.043","","","","has coordinates,has disorder","217204","2020-10-21","18:00:00",""
"1552121","18.7502","0.0003","20.6951","0.0004","8.5719","0.0002","90","","90","","90","","3326.22","0.11","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H52 Mg N2 -","- C36 H52 Mg N2 -","- C144 H208 Mg4 N8 -","4","0.5","","García, Lucía; Dinoi, Chiara; Mahon, Mary F.; Laurent, Maron; Hill, Michael","Magnesium hydride alkene insertion and catalytic hydrosilylation","Chemical Science","2019","","","","","10.1039/C9SC02056J","","","1.54184","CuKα","","0.0598","0.0466","","","0.1164","0.1232","","","","","","1.053","","","","has coordinates,has disorder","217204","2020-10-21","18:00:00",""
"1552122","30.0622","0.0012","17.3584","0.0007","29.8055","0.0012","90","","109.487","0.001","90","","14662.5","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag20 O24 P12 Pd S24 -","- C75 H175 Ag20 O24 P12 Pd S24 -","- C300 H700 Ag80 O96 P48 Pd4 S96 -","4","1","","Barik, Subrat Kumar; Chiu, Tzu-Hao; Liu, Yu-Chiao; Chiang, Ming-Hsi; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Mono- and hexa-palladium doped silver nanoclusters stabilized by dithiolates.","Nanoscale","2019","11","31","14581","14586","10.1039/c9nr05068j","","","0.71073","MoKα","","0.052","0.0387","","","0.0885","0.0979","","","","","","1.035","","","","has coordinates,has disorder","224665","2020-10-21","18:00:00",""
"1552123","14.5737","0.0007","17.067","0.0008","17.2156","0.0008","118.287","0.001","92.204","0.001","105.165","0.001","3572.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H168 Ag14 O24 P12 Pd6 S25 -","- C72 H168 Ag14 O24 P12 Pd6 S25 -","- C72 H168 Ag14 O24 P12 Pd6 S25 -","1","0.5","","Barik, Subrat Kumar; Chiu, Tzu-Hao; Liu, Yu-Chiao; Chiang, Ming-Hsi; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Mono- and hexa-palladium doped silver nanoclusters stabilized by dithiolates.","Nanoscale","2019","11","31","14581","14586","10.1039/c9nr05068j","","","0.71073","MoKα","","0.0376","0.0302","","","0.0675","0.0735","","","","","","1.03","","","","has coordinates,has disorder","224665","2020-10-21","18:00:00",""
"1552124","8.4591","0.0004","8.6474","0.0004","10.5245","0.0005","100.022","0.004","98.821","0.003","92.677","0.004","747.01","0.06","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 Co F12 N2 O4 S4 -","- C24 H14 Co F12 N2 O4 S4 -","- C24 H14 Co F12 N2 O4 S4 -","1","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0805","0.0581","","","0.1127","0.1245","","","","","","1.064","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552125","8.4587","0.0004","8.5811","0.0005","10.6424","0.0005","99.8","0.003","97.782","0.002","91.947","0.002","752.91","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 F12 N2 O4 S4 Zn -","- C24 H14 F12 N2 O4 S4 Zn -","- C24 H14 F12 N2 O4 S4 Zn -","1","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","0.71073","MoKα","","0.0505","0.0451","","","0.1005","0.1033","","","","","","1.131","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552126","28.857","0.002","28.857","0.002","10.4312","0.0007","90","","90","","120","","7522.6","0.9","170","2","170","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H14 F12 Mn N2 O4 S4 -","- C24 H14 F12 Mn N2 O4 S4 -","- C216 H126 F108 Mn9 N18 O36 S36 -","9","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0918","0.069","","","0.1732","0.1935","","","","","","1.066","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552127","15.823","0.006","7.751","0.003","16.592","0.007","90","","97.807","0.006","90","","2016","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 Na O5 -","- C20 H18 N6 Na O5 -","- C80 H72 N24 Na4 O20 -","4","1","","Isoda, Kyosuke; Takahashi, Hinako; Mutoh, Yuichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki","One-dimensional single-helix coordination polymer self-assembled by a crown-ether appended-N-heteroacene radical anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13125","13129","10.1039/c9dt02797a","","","0.71073","MoKα","","0.1188","0.0597","","","0.144","0.175","","","","","","1.02","","","","has coordinates","224488","2020-10-21","18:00:00",""
"1552128","12.7134","0.0009","12.8099","0.001","33.101","0.003","86.539","0.002","79.62","0.002","72.556","0.002","5058.5","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H70 Mg2 N6 -","- C53 H70 Mg2 N6 -","- C212 H280 Mg8 N24 -","4","2","","Isoda, Kyosuke; Takahashi, Hinako; Mutoh, Yuichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki","One-dimensional single-helix coordination polymer self-assembled by a crown-ether appended-N-heteroacene radical anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13125","13129","10.1039/c9dt02797a","","","0.71073","MoKα","","0.198","0.0741","","","0.1133","0.146","","","","","","1.001","","","","has coordinates","224488","2020-10-21","18:00:00",""
"1552129","12.7307","0.0016","9.0363","0.0012","7.4742","0.0009","90","","100.924","0.004","90","","844.24","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","","- C8 H5 Cl F3 N O -","- C8 H5 Cl F3 N O -","- C32 H20 Cl4 F12 N4 O4 -","4","1","HB4303","Gao, Jie; Pan, Yangdan; Li, Yahong; Li, Yafei","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","IUCrData","2019","4","7","x191025","","10.1107/S2414314619010253","","","0.71073","MoKα","","0.0783","0.0432","","","0.093","0.1131","","","","","","1.057","","","","has coordinates,has Fobs","217240","2020-10-21","18:00:00",""
"1552130","9.3993","0.0004","13.7266","0.0005","13.8797","0.0006","90","","93.9017","0.0014","90","","1786.61","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","","- C10 H26 I2 N4 O Pd -","- C10 H26 I2 N4 O Pd -","- C40 H104 I8 N16 O4 Pd4 -","4","1","WM4111","Ha, Kwang","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","IUCrData","2019","4","7","x191032","","10.1107/S2414314619010320","","","0.71073","MoKα","","0.0194","0.0174","","","0.0396","0.0406","","","","","","1.116","","","","has coordinates,has Fobs","217241","2020-10-21","18:00:00",""
"1552131","5.322","0.008","6.293","0.01","8.099","0.012","104.05","0.02","99.08","0.02","99.34","0.02","254.1","0.7","296","","296.15","","","","","","","","","2","P -1","-P 1","2","","HMB","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Li, Liang; Commins, Patrick; Al-Handawi, Marieh B.; Karothu, Durga Prasad; Halabi, Jad Mahmoud; Schramm, Stefan; Weston, James; Rezgui, Rachid; Naumov, Panče","Martensitic organic crystals as soft actuators","Chemical Science","2019","","","","","10.1039/C9SC02444A","","x-ray","0.71073","MoKα","","0.0753","0.0675","","","0.2211","0.2318","","","","","","1.123","","","","has coordinates","217249","2020-10-21","18:00:00",""
"1552132","5.767","0.0003","8.1908","0.0003","31.6737","0.0009","90","","90","","90","","1496.15","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","","- C16 H19 N Se -","- C16 H19 N Se -","- C64 H76 N4 Se4 -","4","1","HB4305","Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","IUCrData","2019","4","7","x191029","","10.1107/S2414314619010290","","","1.54178","CuKα","","0.0469","0.0414","","","0.1173","0.1221","","","","","","1.086","","","","has coordinates,has Fobs","217282","2020-10-21","18:00:00",""
"1552133","8.3836","0.0003","8.478","0.0003","13.305","0.0004","97.779","0.003","101.929","0.002","114.967","0.002","811.94","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 Cl2 N2 O2 S -","- C16 H16 Cl2 N2 O2 S -","- C32 H32 Cl4 N4 O4 S2 -","2","1","HB4309","Ibrahim, Mohammad M.; Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2019","4","7","x191046","","10.1107/S2414314619010460","","","1.54178","CuKα","","0.0519","0.0495","","","0.1345","0.1365","","","","","","1.054","","","","has coordinates,has Fobs","217283","2020-10-21","18:00:00",""
"1552134","9.078","0.002","10.473","0.002","12.236","0.003","65.065","0.006","77.42","0.007","65.229","0.007","956.6","0.4","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","1-(mesityl)-3-(benzyl)imidazole-2-silver(I)acetate","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-\ ylidene]silver(I)}","","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","1","0.5","PK4026","Jayaraman, Selvakumar; Castillo Guel, Roberto Alexander; Malek, Kotiba; Arumugam, Kuppuswamy","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)}","IUCrData","2019","4","7","x191003","","10.1107/S2414314619010034","","","0.71073","MoKα","","0.0455","0.0346","","","0.0752","0.0798","","","","","","1.051","","","","has coordinates,has Fobs","217329","2020-10-21","18:00:00",""
"1552135","9.7053","0.0006","11.0901","0.0007","12.4156","0.0008","68.0282","0.0016","81.7012","0.0016","86.4672","0.0016","1226.25","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","","- C31 H30 O6 -","- C31 H30 O6 -","- C62 H60 O12 -","2","1","HB4307","Täufer, Amely; Köckritz, Angela; Quint, Stephan; Spannenberg, Anke","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","IUCrData","2019","4","7","x191018","","10.1107/S2414314619010186","","","0.71073","MoKα","","0.0539","0.0454","","","0.1272","0.1375","","","","","","1.052","","","","has coordinates,has Fobs","217330","2020-10-21","18:00:00",""
"1552136","13.122","0.0012","13.6316","0.0011","20.7727","0.0017","90","","96.846","0.003","90","","3689.2","0.5","291","2","291","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Cl2 F N5 O10 Sm -","- C30 H31 Cl2 F N5 O10 Sm -","- C120 H124 Cl8 F4 N20 O40 Sm4 -","4","1","","Yang, Zhuo-Ran; Feng, Cheng-Cheng; Nie, Peng-Peng; Chen, Ting-Ting; Zhang, Lin-Feng; Ma, Shuang; Shen, Yin-Jing; Lu, Ze-Ying; Lin, Meng-Lu; Zhang, Kun","An excellent colorimetric and “turn off” fluorescent probe for tetrahydrofuran based on a luminescent macrocyclic samarium(iii) complex","The Analyst","2019","","","","","10.1039/C9AN01037H","","","0.71073","MoKα","","0.1066","0.076","","","0.1834","0.1993","","","","","","1.035","","","","has coordinates,has disorder","217332","2020-10-21","18:00:00",""
"1552137","12.59949","0.00018","10.669","0.00013","17.9124","0.0003","90","","108.335","0.0015","90","","2285.62","0.06","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H19 Au Cl3 O2 P -","- C22.5 H19 Au Cl3 O2 P -","- C90 H76 Au4 Cl12 O8 P4 -","4","1","","Hofer, Manuel; de Haro, Teresa; Gómez-Bengoa, Enrique; Genoux, Alexandre; Nevado, Cristina","Oxidant speciation and anionic ligand effects in the gold-catalyzed oxidative coupling of arenes and alkynes","Chemical Science","2019","","","","","10.1039/C9SC02372K","","","0.71073","MoKα","","0.0281","0.0239","","","0.0518","0.0536","","","","","","1.052","","","","has coordinates","217336","2020-10-21","18:00:00",""
"1552138","6.1964","0.0007","8.1764","0.0008","14.4347","0.0016","94.139","0.004","93.272","0.004","107.361","0.003","693.81","0.13","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0565","0.0485","","","0.1333","0.1412","","","","","","1.032","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552139","8.2186","0.0003","14.7157","0.0008","16.7006","0.0007","90","","93.695","0.003","90","","2015.61","0.16","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0604","0.0446","","","0.1049","0.1144","","","","","","1.024","","","","has coordinates,has disorder","217367","2020-10-21","18:00:00",""
"1552140","6.0929","0.0007","16.8891","0.0017","15.9338","0.0019","90","","91.658","0.005","90","","1639","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0579","0.045","","","0.1109","0.118","","","","","","1.041","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552141","6.9823","0.0008","10.9866","0.0013","11.6209","0.0015","110.95","0.004","97.555","0.004","105.365","0.005","777.03","0.17","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0504","0.041","","","0.1034","0.1104","","","","","","1.039","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552142","7.0659","0.0007","10.6181","0.001","11.7282","0.0013","111.09","0.003","100.172","0.004","102.895","0.004","767.69","0.14","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01231A","","x-ray","0.71073","MoKα","","0.0492","0.0404","","","0.0996","0.1065","","","","","","0.939","","","","has coordinates","217367","2020-10-21","18:00:00",""
"1552143","9.6314","0.0011","4.8612","0.0006","17.269","0.002","90","","90","","90","","808.54","0.17","173","2","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>poly</i>-[μ~4~(4-(Carboxymethyl)benzoato)zinc(II)]","","- C9 H6 O4 Zn -","- C9 H6 O4 Zn -","- C36 H24 O16 Zn4 -","4","1","LH4047","Jia, Jason; LaDuca, Robert L.","Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)]","IUCrData","2019","4","7","x191014","","10.1107/S2414314619010149","","","0.71073","MoKα","","0.02","0.0193","","","0.048","0.0485","","","","","","1.074","","","","has coordinates,has Fobs","217382","2020-10-21","18:00:00",""
"1552144","14.609","0.0013","14.609","0.0013","21.144","0.002","90","","90","","90","","4512.6","0.7","116","2","116.62","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(n-Bu3NH)2[V(4-Br-C6H3O2)3]","tris(4-bromocatecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H64 Br3 N2 O6 V -","- C42 H65 Br3 N2 O6 V -","- C168 H260 Br12 N8 O24 V4 -","4","0.5","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","","0.71073","MoKα","","0.0566","0.0376","","","0.0955","0.1261","","","","","","1.131","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552145","12.039","0.005","12.432","0.006","37.11","0.02","83.93","0.03","89.04","0.02","84.219","0.019","5495","5","145","2","145.03","","","","","","","","","6","P -1","-P 1","2","(n-Bu3NH)2[V(C6Br4O2)3]","tris(tetrabromocatecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H56 Br12 N2 O6 V -","- C42 H56 Br12 N2 O6 V -","- C168 H224 Br48 N8 O24 V4 -","4","2","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","x-ray","0.71076","MoKα","","0.0829","0.0653","","","0.1622","0.1685","","","","","","1.154","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552146","10.725","0.0006","10.725","0.0006","42.298","0.003","90","","90","","90","","4865.4","0.5","120","2","119.76","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(n-Bu3NH)2[V(4,5-Br2-C6H2O2)3]","tris(4,5-dibromo-catecholato)vanadate(IV) bis-tri-n-butylammonium","","- C42 H62 Br6 N2 O6 V -","- C42 H62 Br6 N2 O6 V -","- C168 H248 Br24 N8 O24 V4 -","4","0.5","","Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M.","Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes","Chemical Science","2019","","","","","10.1039/C9SC02899D","","","0.71073","MoKα","","0.0525","0.0508","","","0.1459","0.15","","","","","","1.148","","","","has coordinates,has disorder","217404","2020-10-21","18:00:00",""
"1552147","21.778","0.006","40.485","0.01","30.75","0.008","90","","99.764","0.003","90","","26719","12","200","2","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C232 H306 Ag28 B2 O P4 Pt S18 -","- C232 H305 Ag28 B2 O P4 Pt S18 -","- C928 H1220 Ag112 B8 O4 P16 Pt4 S72 -","4","1","","Kang, Xi; Huang, Li; Liu, Wei; Xiong, Lin; Pei, Yong; Sun, Zhihu; Wang, Shuxin; Wei, Shiqiang; Zhu, Manzhou","Reversible nanocluster structure transformation between face-centered cubic and icosahedral isomers","Chemical Science","2019","","","","","10.1039/C9SC02667C","","","0.71073","MoKα","","0.1353","0.1114","","","0.28","0.288","","","","","","1.088","","","","has coordinates","217405","2020-10-21","18:00:00",""
"1552148","10.6862","0.0013","27.986","0.003","10.6712","0.0013","90","","118.639","0.004","90","","2800.9","0.6","303","2","303","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl N2 O3 S -","- C29 H31 Cl N2 O3 S -","- C116 H124 Cl4 N8 O12 S4 -","4","1","","Guo, Jing-Yu; Zhang, Ze-Yu; Guan, Ting; Mao, Lei-Wen; Ban, Qian; ZHAO, KAI; Loh, Teck-Peng","Photoredox-Catalyzed Stereoselective Alkylation of Enamides with N-Hydroxyphthalimide Esters via Decarboxylative Cross-Coupling Reactions","Chemical Science","2019","","","","","10.1039/C9SC03070K","","","0.71073","MoKα","","0.0675","0.0604","","","0.1211","0.1259","","","","","","1.086","","","","has coordinates","217406","2020-10-21","18:00:00",""
"1552149","11.341","0.002","17.349","0.003","20.734","0.003","89.688","0.005","82.245","0.006","88.268","0.005","4040.4","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 Br2 N2 Ni -","- C44 H56 Br2 N2 Ni -","- C176 H224 Br8 N8 Ni4 -","4","2","","Guo, Lihua; Sun, Wenting; Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","Bulky yet flexible substituents in insertion polymerization with α-diimine nickel and palladium systems","Polymer Chemistry","2019","10","35","4866","","10.1039/C9PY00857H","","","0.71073","MoKα","","0.1099","0.053","","","0.1138","0.1409","","","","","","1.014","","","","has coordinates","225350","2020-10-21","18:00:00",""
"1552150","16.9097","0.0014","11.7853","0.0011","20.3376","0.0018","90","","94.164","0.001","90","","4042.3","0.6","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H59 Cl N2 Pd -","- C45 H59 Cl N2 Pd -","- C180 H236 Cl4 N8 Pd4 -","4","1","","Guo, Lihua; Sun, Wenting; Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","Bulky yet flexible substituents in insertion polymerization with α-diimine nickel and palladium systems","Polymer Chemistry","2019","10","35","4866","","10.1039/C9PY00857H","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","225350","2020-10-21","18:00:00",""
"1552152","12.9071","0.0003","12.9071","0.0003","12.9071","0.0003","90","","90","","90","","2150.24","0.09","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.2La3Zr1.2Ta0.8O12","","garnet like","- La3 Li6.2 O12 Ta0.8 Zr1.2 -","- La3 Li6.204 O12 Ta0.8 Zr1.2 -","- La24 Li49.632 O96 Ta6.4 Zr9.6 -","8","0.0833333","","Kataoka, K.; Akimoto, J.","Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.8","Journal of the Ceramic Society of Japan","2019","127","","521","526","10.2109/jcersj2.19022","","","","","","","","","","","","","","","","","","","","","has coordinates","217429","2020-10-21","18:00:00",""
"1552153","12.9216","0.0006","12.9216","0.0006","12.9216","0.0006","90","","90","","90","","2157.49","0.17","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.5La3Zr1.5Ta0.5O12","","garnet like","- La3 Li6.5 O12 Ta0.5 Zr1.5 -","- La3 Li6.504 O12 Ta0.5 Zr1.5 -","- La24 Li52.032 O96 Ta4 Zr12 -","8","0.0833333","","Kataoka, K.; Akimoto, J.","Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.5","Journal of the Ceramic Society of Japan","2019","127","","521","526","10.2109/jcersj2.19022","","","","","","","","","","","","","","","","","","","","","has coordinates","217430","2020-10-21","18:00:00",""
"1552154","12.9448","0.0004","12.9448","0.0004","12.9448","0.0004","90","","90","","90","","2169.13","0.12","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.8La3Zr1.8Ta0.2O12","","garnet like","- La3 Li6.8 O12 Ta0.2 Zr1.8 -","- La3 Li6.804 O12 Ta0.2 Zr1.8 -","- La24 Li54.432 O96 Ta1.6 Zr14.4 -","8","0.0833333","","Kataoka, K.; Akimoto, J.","Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.2","Journal of the Ceramic Society of Japan","2019","127","","521","526","10.2109/jcersj2.19022","","","","","","","","","","","","","","","","","","","","","has coordinates","217431","2020-10-21","18:00:00",""
"1552155","12.9375","0.0004","12.9375","0.0004","12.9375","0.0004","90","","90","","90","","2165.46","0.12","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.6La3Zr1.6Ta0.4O12","","garnet like","- La3 Li6.6 O12 Ta0.4 Zr1.6 -","- La3 Li6.6 O12 Ta0.4 Zr1.6 -","- La24 Li52.8 O96 Ta3.2 Zr12.8 -","8","0.0833333","","Kataoka, K.; Akimoto, J.","Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.4","Journal of the Ceramic Society of Japan","2019","127","","521","526","10.2109/jcersj2.19022","","","","","","","","","","","","","","","","","","","","","has coordinates","217432","2020-10-21","18:00:00",""
"1552156","12.9101","0.0003","12.9101","0.0003","12.9101","0.0003","90","","90","","90","","2151.74","0.09","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Li6.4La3Zr1.4Ta0.6O12","","garnet like","- La3 Li6.4 O12 Ta0.6 Zr1.4 -","- La3 Li6.396 O12 Ta0.6 Zr1.4 -","- La24 Li51.168 O96 Ta4.8 Zr11.2 -","8","0.0833333","","Kataoka, K.; Akimoto, J.","Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.6","Journal of the Ceramic Society of Japan","2019","127","","521","526","10.2109/jcersj2.19022","","","","","","","","","","","","","","","","","","","","","has coordinates","217433","2020-10-21","18:00:00",""
"1552157","31.0922","0.0006","11.7199","0.0002","7.596","0.0001","90","","90","","90","","2767.96","0.08","100","","100","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C17 H22 O -","- C17 H22 O -","- C136 H176 O8 -","8","1","","Stegbauer, Simone; Jeremias, Noah; Jandl, Christian; Bach, Thorsten","Reversal of reaction type selectivity by Lewis acid coordination: the ortho photocycloaddition of 1- and 2-naphthaldehyde","Chemical Science","2019","","","","","10.1039/C9SC03315G","","x-ray","1.54178","CuKα","","0.0475","0.0409","","","0.1138","0.1193","","","","","","1.021","","","","has coordinates,has disorder","217440","2020-10-21","18:00:00",""
"1552158","12.2853","0.0004","11.4142","0.0004","23.9255","0.0007","90","","92.033","0.001","90","","3352.89","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 P3 -","- C36 H51 P3 -","- C144 H204 P12 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0372","0.0319","","","0.0825","0.0868","","","","","","1.022","","","","has coordinates","217441","2020-10-21","18:00:00",""
"1552159","10.8329","0.0005","11.8131","0.0005","17.8655","0.0008","90","","90","","90","","2286.25","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 P3 Ti -","- C22 H37 P3 Ti -","- C88 H148 P12 Ti4 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0332","0.0295","","","0.066","0.0683","","","","","","1.023","","","","has coordinates","217441","2020-10-21","18:00:00",""
"1552160","5.9448","0.0005","8.5877","0.0007","14.1215","0.0011","91.241","0.001","100.093","0.001","91.146","0.001","709.4","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H46 P2 -","- C30 H46 P2 -","- C30 H46 P2 -","1","0.5","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.043","0.0368","","","0.0969","0.1029","","","","","","1.037","","","","has coordinates,has disorder","217441","2020-10-21","18:00:00",""
"1552161","25.4903","0.0014","11.6583","0.0006","16.449","0.0009","90","","107.897","0.001","90","","4651.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H68 P2 Ti -","- C52 H68 P2 Ti -","- C208 H272 P8 Ti4 -","4","0.5","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0508","0.0348","","","0.0805","0.0912","","","","","","1.023","","","","has coordinates,has disorder","217441","2020-10-21","18:00:00",""
"1552162","10.0969","0.0014","17.548","0.002","20.053","0.003","90","","93.959","0.003","90","","3544.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 D6 P2 Ti -","- C40 H50 P2 Ti -","- C160 H200 P8 Ti4 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0442","0.0346","","","0.086","0.0941","","","","","","1.049","","","","has coordinates,has disorder","217441","2020-10-21","18:00:00",""
"1552163","6.2462","0.0005","7.5477","0.0006","31.123","0.002","90","","90","","90","","1467.28","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Li, Junhua; Wei, Jialiang; Zhu, Bencong; Wang, Teng; Jiao, Ning","Cu-catalyzed Oxygenation of Alkene-tethered Amides with O2 via Unactivated C=C Bond Cleavage: A Direct Approach to Cyclic Imides","Chemical Science","2019","","","","","10.1039/C9SC03175H","","","0.71073","MoKα","","0.0659","0.0429","","","0.0891","0.0972","","","","","","1.051","","","","has coordinates","217442","2020-10-21","18:00:00",""
"1552164","12.8262","0.0002","22.1075","0.0004","28.9552","0.0005","72.349","0.002","79.8","0.002","89.827","0.001","7689","0.2","150","1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(μ~2~-4-nitrophenolato)bis(4-nitrophenolato)di-μ~3~-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]","","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C294 H230 Cl18 N16 O56 Sn16 -","4","2","","Butler, Patrick","Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane","IUCrData","2019","4","8","","","10.1107/S2414314619010678","","x-ray","1.54184","CuKα","","0.0942","0.0691","","","0.1746","0.1967","","","","","","1.042","","","","has coordinates,has Fobs","217454","2020-10-21","18:00:00",""
"1552165","10.02984","0.00008","10.88201","0.00008","30.5021","0.0002","90","","90","","90","","3329.15","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O11 -","- C36 H36 N2 O11 -","- C144 H144 N8 O44 -","4","1","","Correa, Arkaitz; San Segundo, Marcos","Pd-Catalyzed Site-Selective C(sp2)‒H Radical Acylation of Phenylalanine Containing Peptides with Aldehydes","Chemical Science","2019","","","","","10.1039/C9SC03425K","","x-ray","1.54184","CuKα","","0.0315","0.0301","","","0.0738","0.0749","","","","","","1.054","","","","has coordinates","217457","2020-10-21","18:00:00",""
"1552166","8.22428","0.00016","13.92307","0.00019","8.40898","0.00016","90","","115.927","0.002","90","","865.98","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 Br2 Cl N2 O3 -","- C16 H13 Br2 Cl N2 O3 -","- C32 H26 Br4 Cl2 N4 O6 -","2","1","","Correa, Arkaitz; San Segundo, Marcos","Pd-Catalyzed Site-Selective C(sp2)‒H Radical Acylation of Phenylalanine Containing Peptides with Aldehydes","Chemical Science","2019","","","","","10.1039/C9SC03425K","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.072","0.0727","","","","","","1.047","","","","has coordinates","217457","2020-10-21","18:00:00",""
"1552167","28.14","0.003","40.411","0.003","83.201","0.009","90","","90","","90","","94613","16","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C19.46 H9.44 La0.57 O5.49 S2.29 -","- C19.4633 H9.444 La0.566929 O5.48659 S2.29086 -","- C2179.89 H1057.73 La63.496 O614.498 S256.576 -","112","7","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","1.54178","CuKα","","0.1535","0.1142","","","0.3327","0.3654","","","","","","1.332","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1552168","11.099","0.007","14.956","0.01","19.81","0.008","85.806","0.015","88.145","0.016","86.963","0.013","3274","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H20 La N O7.5 S3 -","- C28.5 H20 La N O7.5 S3 -","- C114 H80 La4 N4 O30 S12 -","4","2","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","0.71073","MoKα","","0.1322","0.0673","","","0.1551","0.1853","","","","","","0.997","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1552169","18.098","0.004","9.345","0.002","22.051","0.005","90","","90.202","0.004","90","","3729.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 La N O9 S4 -","- C37 H24 La N O9 S4 -","- C148 H96 La4 N4 O36 S16 -","4","1","","Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea","Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks","Chemical Science","2019","","","","","10.1039/C9SC03348C","","","0.71073","MoKα","","0.0922","0.0484","","","0.1046","0.12","","","","","","1.014","","","","has coordinates,has disorder","217458","2020-10-21","18:00:00",""
"1552170","9.6152","0.0003","9.1982","0.0003","17.2275","0.0005","90","","92.473","0.003","90","","1522.22","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N8 O2 Pt -","- C11 H14 N8 O2 Pt -","- C44 H56 N32 O8 Pt4 -","4","1","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","x-ray","0.71073","MoKα","","0.0623","0.0549","","","0.1431","0.1509","","","","","","1.046","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552171","8.4653","0.0005","8.7128","0.0006","10.9563","0.0004","71.076","0.005","79.831","0.004","84.892","0.006","751.97","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N10 O3 Pt -","- C8 H16 N10 O3 Pt -","- C16 H32 N20 O6 Pt2 -","2","1","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","x-ray","0.71073","MoKα","","0.0539","0.0396","","","0.1","0.1154","","","","","","1.021","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552172","7.09413","0.00013","11.18048","0.0002","12.327","0.0002","90","","90.6038","0.0017","90","","977.67","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N8 O4 Pt -","- C14 H24 N8 O4 Pt -","- C28 H48 N16 O8 Pt2 -","2","0.5","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","","0.71073","MoKα","","0.0264","0.0185","","","0.0409","0.0455","","","","","","1.052","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552173","3.7996","0.0001","8.1562","0.0003","9.0053","0.0003","88.995","0.003","86.555","0.003","76.997","0.003","271.427","0.016","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N8 Pt S2 -","- C6 H6 N8 Pt S2 -","- C6 H6 N8 Pt S2 -","1","0.5","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","","0.71073","MoKα","","0.0175","0.0175","","","0.0392","0.0392","","","","","","1.08","","","","has coordinates","217469","2020-10-21","18:00:00",""
"1552174","9.4521","0.0002","9.5887","0.0002","12.0611","0.0002","97.817","0.002","105.393","0.002","114.191","0.002","923.39","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N8 O4 Pt -","- C14 H16 N8 O4 Pt -","- C28 H32 N16 O8 Pt2 -","2","1","","Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J.","Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light","Chemical Science","2019","","","","","10.1039/C9SC02644D","","x-ray","0.71073","MoKα","","0.03","0.0228","","","0.0547","0.0579","","","","","","1.134","","","","has coordinates,has disorder","217469","2020-10-21","18:00:00",""
"1552175","10.5439","0.0005","12.3994","0.0005","14.5971","0.0006","87.794","0.002","79.277","0.002","68.813","0.002","1747.47","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H40 N4 O7 -","- C41 H40 N4 O7 -","- C82 H80 N8 O14 -","2","1","","Nicke, Lennart; Horx, Philip; Harms, Klaus; Geyer, Armin","Directed C(sp3)‒H arylation of tryptophan: transformation of the directing group into an activated amide","Chemical Science","2019","","","","","10.1039/C9SC03440D","","","0.71073","MoKα","","0.0561","0.0458","","","0.1042","0.1093","","","","","","1.051","","","","has coordinates","217470","2020-10-21","18:00:00",""
"1552176","8.5853","0.0004","7.0808","0.0002","14.4608","0.0007","90","","96.828","0.004","90","","872.85","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O4 -","- C21 H17 N3 O4 -","- C42 H34 N6 O8 -","2","1","","Nicke, Lennart; Horx, Philip; Harms, Klaus; Geyer, Armin","Directed C(sp3)‒H arylation of tryptophan: transformation of the directing group into an activated amide","Chemical Science","2019","","","","","10.1039/C9SC03440D","","","1.54186","CuKα","","0.0348","0.0312","","","0.0829","0.0844","","","","","","1.08","","","","has coordinates,has disorder","217470","2020-10-21","18:00:00",""
"1552177","9.63219","0.00011","9.47828","0.00009","12.7213","0.00014","90","","106.27","0.0012","90","","1114.9","0.02","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(2-(dimethyl(phenyl)silyl)-2-phenylethyl)-4-methylbenzenesulfonamide","","- C23 H27 N O2 S Si -","- C23 H27 N O2 S Si -","- C46 H54 N2 O4 S2 Si2 -","2","1","","Takeda, Youhei; Shibuta, Kaoru; Aoki, Shohei; Tohnai, Norimitsu; Minakata, Satoshi","Catalyst-controlled regiodivergent ring-opening C(sp3)‒Si bond-forming reactions of 2-arylaziridines with silylborane enabled by synergistic palladium/copper dual catalysis","Chemical Science","2019","","","","","10.1039/C9SC02507C","","","1.54187","CuKα","","0.0355","0.0352","","","0.0948","0.095","","","","","","1.077","","","","has coordinates","217481","2020-10-21","18:00:00",""
"1552178","17.1883","0.0007","19.8237","0.0008","25.0041","0.001","112.264","0.004","93.732","0.003","109.808","0.004","7232.7","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C146 H155 B10 O21.5 -","- C146 H155 B10 O21.5 -","- C292 H310 B20 O43 -","2","1","","Kato, Kenta; Lin, Hsing-An; Kuwayama, Motonobu; Nagase, Mai; Segawa, Yasutomo; Scott, Lawrence T.; Itami, Kenichiro","Two-step synthesis of a red-emissive warped nanographene derivative via a ten-fold C-H borylation","Chemical Science","2019","","","","","10.1039/C9SC03061A","","","0.71073","MoKα","","0.3042","0.1266","","","0.3072","0.4142","","","","","","1.064","","","","has coordinates,has disorder","217482","2020-10-21","18:00:00",""
"1552179","7.7689","0.0003","12.718","0.0006","12.8936","0.0006","84.839","0.003","81.171","0.002","79.286","0.003","1234.43","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N3 O5 S3 -","- C23 H25 N3 O5 S3 -","- C46 H50 N6 O10 S6 -","2","1","","Nguyen, Quynh H.; Nguyen, Nguyen H.; Kim, Hanbyul; Shin, Seunghoon","Synthesis of γ-substituted carbonyl compounds from DMSO-mediated oxidation of enynamides: mechanistic insights and carbon- and hetero-functionalizations","Chemical Science","2019","","","","","10.1039/C9SC03663F","","","0.71073","MoKα","","0.0741","0.0543","","","0.1408","0.1535","","","","","","1.069","","","","has coordinates,has disorder","217498","2020-10-21","18:00:00",""
"1552180","8.0043","0.0003","10.7993","0.0004","12.4643","0.0005","95.266","0.003","100.867","0.003","92.113","0.003","1052.02","0.07","296","0.18","296","0.18","","","","","","","","6","P -1","-P 1","2","","dimethyl 2-(5-(N-acetylsulfamoyl)-2-(thiazol-2-yl)-4-(trifluoromethoxy)phenyl)malonate","","- C17 H15 F3 N2 O8 S2 -","- C17 H15 F3 N2 O8 S2 -","- C34 H30 F6 N4 O16 S4 -","2","1","","Dong, Yi; Zhang, Xuepeng; Chen, Jiajing; Zou, Wenxing; Lin, Songwen; Xu, Heng","Switching the site-selectivity of C‒H activation in aryl sulfonamides containing strongly coordinating N-heterocycles","Chemical Science","2019","","","","","10.1039/C9SC03691A","","x-ray","1.54184","CuKα","","0.05","0.0459","","","0.1222","0.1269","","","","","","1.058","","","","has coordinates","217499","2020-10-21","18:00:00",""
"1552181","9.3787","0.0004","10.6208","0.0005","11.4671","0.0006","85.869","0.004","72.343","0.004","71.018","0.004","1028.78","0.09","109.5","0.5","109.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 F3 N2 O9 S2 -","- C17 H18 F3 N2 O9 S2 -","- C34 H36 F6 N4 O18 S4 -","2","1","","Dong, Yi; Zhang, Xuepeng; Chen, Jiajing; Zou, Wenxing; Lin, Songwen; Xu, Heng","Switching the site-selectivity of C‒H activation in aryl sulfonamides containing strongly coordinating N-heterocycles","Chemical Science","2019","","","","","10.1039/C9SC03691A","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1186","0.126","","","","","","1.027","","","","has coordinates","217499","2020-10-21","18:00:00",""
"1552182","12.9255","0.0002","19.9189","0.0002","18.8428","0.0003","90","","95.488","0.001","90","","4829.06","0.12","297.25","0.1","297.25","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H109 N6 Na O38 Sn6 -","- C68 H78 N6 Na O32 Sn6 -","- C136 H156 N12 Na2 O64 Sn12 -","2","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","1.54178","CuKα","","0.0769","0.0652","","","0.1439","0.1518","","","","","","1.016","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552183","16.627","0.003","19.217","0.004","24.646","0.006","87.755","0.008","84.536","0.009","65.502","0.006","7133","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H340 Cl12 N8 O92 Sn30 -","- C152 H266 Cl12 N8 O76 Sn30 -","- C152 H266 Cl12 N8 O76 Sn30 -","1","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.1033","0.0768","","","0.1458","0.1571","","","","","","1.08","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552184","17.8261","0.0015","20.7264","0.0008","19.198","0.0015","90","","115.285","0.01","90","","6413.5","0.9","100.02","0.13","100.02","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H188 O52 Sn12 -","- C78 H158 O46 Sn12 -","- C156 H316 O92 Sn24 -","2","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","1.54178","CuKα","","0.1412","0.0997","","","0.1984","0.2143","","","","","","1.01","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552185","26.5875","0.0005","12.3043","0.0002","22.3663","0.0004","90","","98.407","0.002","90","","7238.3","0.2","296.76","0.1","296.76","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H92 O20 P4 Sn6 -","- C54 H92 O20 P4 Sn6 -","- C216 H368 O80 P16 Sn24 -","4","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","1.54178","CuKα","","0.0443","0.0406","","","0.1046","0.1098","","","","","","1.016","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552186","16.08","0.003","16.408","0.003","26.664","0.005","99.647","0.002","94.408","0.003","105.134","0.002","6641","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H304 N12 O94 Sn26 -","- C124 H222.064 N6 O66 Sn26 -","- C124 H222.064 N6 O66 Sn26 -","1","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.0677","0.0493","","","0.0919","0.098","","","","","","1.03","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552187","16.154","0.013","18.36","0.016","23.56","0.02","73.021","0.008","89.189","0.01","68.918","0.011","6203","9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H272 Cl4 N32 O74 Sn26 -","- C106.528 H216 Cl4 N24 O60 Sn26 -","- C106.528 H216 Cl4 N24 O60 Sn26 -","1","0.5","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.1443","0.0873","","","0.1262","0.1425","","","","","","1.137","","","","has coordinates,has disorder","217500","2020-10-21","18:00:00",""
"1552188","29.065","0.006","17.858","0.003","57.743","0.011","90","","101.046","0.003","90","","29416","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C196 H376 N10 Na2 O82 Sn34 -","- C190 H342 N9 Na2 O72 Sn34 -","- C760 H1368 N36 Na8 O288 Sn136 -","4","1","","Zhu, Yu; Zhang, Lei; Zhang, Jian","Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation","Chemical Science","2019","","","","","10.1039/C9SC02503K","","","0.71073","MoKα","","0.1503","0.1124","","","0.1679","0.183","","","","","","1.174","","","","has coordinates","217500","2020-10-21","18:00:00",""
"1552189","27.5312","0.0006","21.7757","0.0006","43.5129","0.0011","90","","107.785","0.003","90","","24839.8","1.2","140","0.1","140","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H144 N8 Si12 U2 -","- C52 H144 N8 Si12 U2 -","- C624 H1728 N96 Si144 U24 -","12","1.5","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0661","0.0377","","","0.0829","0.0945","","","","","","0.986","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552190","13.74703","0.00014","32.4889","0.0003","27.4987","0.0003","90","","99.081","0.001","90","","12127.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H208 N2 O24 Si6 U2 -","- C95 H208 N2 O24 Si6 U2 -","- C380 H832 N8 O96 Si24 U8 -","4","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0355","0.0288","","","0.0664","0.07","","","","","","1.018","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552191","15.1641","0.0004","15.315","0.0004","19.3228","0.0006","88.488","0.002","87.105","0.002","82.328","0.002","4440.8","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H147 N6 Na O10 Si11 U2 -","- C54 H147 N6 Na O10 Si11 U2 -","- C108 H294 N12 Na2 O20 Si22 U4 -","2","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0462","0.039","","","0.1007","0.1057","","","","","","1.052","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552192","14.2946","0.0004","16.3627","0.0003","25.1526","0.0006","90","","99.031","0.003","90","","5810.2","0.2","100","2","100","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C88 H198 N2 O24 Si6 U2 -","- C88 H198 N2 O24 Si6 U2 -","- C176 H396 N4 O48 Si12 U4 -","2","0.5","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","0.71073","MoKα","","0.0592","0.0498","","","0.1173","0.1225","","","","","","1.061","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552193","12.4529","0.0004","21.71","0.0006","26.886","0.0007","83.801","0.002","78.048","0.003","78.888","0.003","6960.2","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H108 N6 O3 Si12 U3 -","- C36 H108 N6 O3 Si12 U3 -","- C144 H432 N24 O12 Si48 U12 -","4","2","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0656","0.0408","","","0.0844","0.0953","","","","","","0.994","","","","has coordinates","217511","2020-10-21","18:00:00",""
"1552194","14.4014","0.0006","19.5701","0.0008","20.1516","0.0009","91.085","0.004","92.236","0.004","91.691","0.004","5671.5","0.4","139.99","0.11","139.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C31 H89 N5 O2 Si10 U2 -","- C31 H89 N5 O2 Si10 U2 -","- C124 H356 N20 O8 Si40 U8 -","4","2","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","0.71073","MoKα","","0.1113","0.0855","","","0.215","0.2269","","","","","","1.068","","","","has coordinates","217511","2020-10-21","18:00:00",""
"1552195","14.65806","0.00012","31.4333","0.0002","17.60034","0.00019","90","","110.221","0.0011","90","","7609.56","0.13","139.99","0.1","139.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H124 N7 Si12 U2 -","- C50 H124 N7 Si12 U2 -","- C200 H496 N28 Si48 U8 -","4","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0359","0.0336","","","0.081","0.082","","","","","","1.163","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552196","16.9403","0.0002","40.0672","0.0005","17.9903","0.0002","90","","96.8053","0.0012","90","","12124.9","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H198 N2 O28 Si6 U2 -","- C90 H198 N2 O28 Si6 U2 -","- C360 H792 N8 O112 Si24 U8 -","4","1","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0766","0.073","","","0.1878","0.1906","","","","","","1.061","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552197","27.078","0.005","12.193","0.002","16.998","0.003","90","","110.78","0.03","90","","5247","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Ag Cl N8 O4 -","- C26 H20 Ag Cl N8 O4 -","- C208 H160 Ag8 Cl8 N64 O32 -","8","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","","0.71073","MoKα","","0.1878","0.0815","","","0.0951","0.1162","","","","","","1.092","","","","has coordinates,has disorder","217513","2020-10-21","18:00:00",""
"1552198","14.2045","0.0001","23.0696","0.0002","20.6652","0.0002","90","","97.942","0.001","90","","6706.87","0.1","169","6","169","6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Ag2 Cl2 N16 O8 -","- C72 H60 Ag2 Cl2 N16 O8 -","- C288 H240 Ag8 Cl8 N64 O32 -","4","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","x-ray","1.54184","CuKα","","0.0577","0.0534","","","0.1474","0.1507","","","","","","1.065","","","","has coordinates,has disorder","217513","2020-10-21","18:00:00",""
"1552199","10.7387","0.0001","11.8558","0.0002","12.625","0.0002","67.142","0.001","76.626","0.001","86.682","0.001","1440.05","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Ag Cl N8 O4 -","- C30 H25 Ag Cl N8 O4 -","- C60 H50 Ag2 Cl2 N16 O8 -","2","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","x-ray","1.54184","CuKα","","0.0376","0.0373","","","0.1044","0.1047","","","","","","1.042","","","","has coordinates,has disorder","217513","2020-10-21","18:00:00",""
"1552200","13.9995","0.0001","23.1335","0.0003","20.7862","0.0002","90","","97.723","0.001","90","","6670.7","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H60 Ag2 Cl2 N16 O8 -","- C68 H60 Ag2 Cl2 N16 O8 -","- C272 H240 Ag8 Cl8 N64 O32 -","4","1","","Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He","Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction","Chemical Science","2019","","","","","10.1039/C9SC02621E","","x-ray","1.54184","CuKα","","0.0785","0.075","","","0.2077","0.2104","","","","","","1.06","","","","has coordinates","217513","2020-10-21","18:00:00",""
"1552201","14.3919","0.0007","15.0704","0.0007","15.2655","0.0008","96.327","0.002","113.1","0.002","102.726","0.002","2898.5","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","[5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((4-(tert-butyl)phenyl)ethynyl)porphyrinato]zinc(II)","","- C72 H76 N4 O2 Zn -","- C72 H76 N4 O2 Zn -","- C144 H152 N8 O4 Zn2 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","x-ray","1.54178","CuKα","","0.067","0.0625","","","0.1869","0.1997","","","","","","1.054","","","","has coordinates,has disorder","217514","2020-10-21","18:00:00",""
"1552202","10.093","0.0006","12.9691","0.0008","13.722","0.0008","111.916","0.003","107.689","0.003","94.609","0.003","1548.96","0.17","123","","123","","","","","","","","Patrick Zwick","6","P -1","-P 1","2","","[5,15-dimesityl-10,20-bis((trimethylsilyl)ethynyl)porphyrinato]zinc(II)","","- C68 H88 N4 O5 Si2 Zn -","- C68 H88 N4 O5 Si2 Zn -","- C68 H88 N4 O5 Si2 Zn -","1","0.5","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.0999","0.0841","","0.2288","0.2113","0.2281","","","","","","0.932","","","","has coordinates,has disorder","217514","2020-10-21","18:00:00",""
"1552203","10.1051","0.0006","15.0628","0.0008","15.657","0.0009","71.6998","0.0019","78.9052","0.0019","77.5688","0.0019","2189.5","0.2","123","","123","","","","","","","","Patrick Zwick","4","P -1","-P 1","2","","5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrin","","- C50 H54 N4 Si2 -","- C50 H54 N4 Si2 -","- C100 H108 N8 Si4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0562","0.0541","","0.1127","0.1125","0.1127","","","","","","0.9088","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552204","9.3697","0.0007","10.2821","0.0008","14.2974","0.0011","106.979","0.003","98.215","0.003","92.569","0.003","1298.4","0.17","123","","123","","","","","","","","Patrick Zwick","6","P -1","-P 1","2","","[5,15-bis(4-(tert-butyl)phenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrinato]zinc(II)","","- C58 H68 N4 O2 Si2 Zn -","- C58 H68 N4 O2 Si2 Zn -","- C58 H68 N4 O2 Si2 Zn -","1","0.5","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.0316","0.0292","","0.071","0.0692","0.071","","","","","","0.9668","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552205","11.2455","0.0005","14.4419","0.0006","14.439","0.0006","90","","99.887","0.003","90","","2310.16","0.17","123","","123","","","","","","","","Patrick Zwick","4","P 1 21 1","P 2yb","4","","5,15-dimesityl-10,20-bis((trimethylsilyl)ethynyl)porphyrin","","- C52 H58 N5 Si2 -","- C52 H58 N5 Si2 -","- C104 H116 N10 Si4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0641","0.059","","0.1446","0.1414","0.1446","","","","","","0.9484","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552206","10.2458","0.0005","16.2032","0.0007","19.8087","0.0009","72.034","0.003","79.82","0.004","73.234","0.004","2981.3","0.2","130","","130","","","","","","","","Patrick Zwick","5","P -1","-P 1","2","","S,S'-(((10,20-bis(3,5-di-tert-butylphenyl)porphyrin-5,15-diyl)bis(ethyne-2,1-diyl))bis(4,1-phenylene))diethanethioate","","- C68 H66 N4 O2 S2 -","- C68 H66 N4 O2 S2 -","- C136 H132 N8 O4 S4 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.34143","GaKα","","0.1631","0.1045","","0.3578","0.2747","0.3506","","","","","","1.1616","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552207","10.5687","0.0006","17.5433","0.0009","14.2726","0.0008","90","","90.077","0.003","90","","2646.3","0.3","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","[S,S'-(((10,20-bis(4-(tert-butyl)phenyl)porphyrinato-5,15-diyl)bis(ethyne-2,1-diyl))bis(4,1-phenylene)) diethanethioate]zinc(II)","","- C64 H56 N4 O3 S2 Zn -","- C64 H56 N4 O3 S2 Zn -","- C128 H112 N8 O6 S4 Zn2 -","2","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.54178","CuKα","","0.0456","0.0439","","0.117","0.1153","0.117","","","","","","0.8466","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552208","13.6207","0.0003","16.2758","0.0003","15.1875","0.0003","90","","133.42","0.001","90","","2445.48","0.09","130","","130","","","","","","","","Patrick Zwick","3","P 1 21/n 1","-P 2yn","14","","5,10,15,20-tetrakis-(4-(tert-butyl)phenyl) porphyrin","","- C60 H62 N4 -","- C60 H62 N4 -","- C120 H124 N8 -","2","0.5","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.34143","GaKα","","0.0448","0.0433","","0.1115","0.1101","0.1115","","","","","","0.9103","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552209","31.3225","0.0013","12.3379","0.0005","14.6291","0.0006","90","","90","","90","","5653.5","0.4","123","","123","","","","","","","","Patrick Zwick","5","P n a 21","P 2c -2n","33","","5,15-bis(3,5-di-tert-butylphenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrin","","- C62 H78 N4 O Si2 -","- C62 H78 N4 O Si2 -","- C248 H312 N16 O4 Si8 -","4","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.073","0.0568","","0.146","0.1336","0.146","","","","","","0.9893","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552210","10.7298","0.0005","11.865","0.0005","19.6541","0.0007","83.163","0.003","86.568","0.003","70.525","0.004","2341.67","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H78 Al N4 P Ru -","- C47 H78 Al N4 P Ru -","- C94 H156 Al2 N8 P2 Ru2 -","2","1","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","","0.71073","MoKα","","0.0551","0.0445","","","0.105","0.1116","","","","","","1.057","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552211","12.1911","0.0005","13.8827","0.0007","15.1624","0.0006","106.195","0.004","102.711","0.003","103.796","0.004","2277.5","0.2","173","2","173","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C92 H122 Al4 N8 Pd4 -","- C92 H122 Al4 N8 Pd4 -","- C92 H122 Al4 N8 Pd4 -","1","0.5","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","x-ray","0.71073","MoKα","","0.0558","0.041","","","0.0851","0.0917","","","","","","1.067","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552212","12.6182","0.0005","13.8635","0.0005","22.8654","0.001","95.322","0.003","95.111","0.003","112.036","0.004","3658.3","0.3","173","0.1","173","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H116 Al2 D2 N4 P2 Pd2 -","- C78 H116 Al2 D2 N4 P2 Pd2 -","- C156 H232 Al4 D4 N8 P4 Pd4 -","2","1","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","neutron","","neutron","","0.2298","0.1143","","0.4986","0.1663","0.1218","","","","","","1.2306","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552213","24.5447","0.0004","15.2883","0.0003","14.8424","0.0002","90","","95.2938","0.0014","90","","5545.81","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Al2 N4 Pd2 -","- C58 H86 Al2 N4 Pd2 -","- C232 H344 Al8 N16 Pd8 -","4","0.5","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","x-ray","1.54184","CuKα","","0.0324","0.0271","","","0.0662","0.07","","","","","","1.035","","","","has coordinates","217515","2020-10-21","18:00:00",""
"1552214","12.566","0.0004","13.8938","0.0006","14.1192","0.0007","114.468","0.005","101.107","0.003","101.892","0.003","2085.85","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H130 Al2 N4 P2 Pd2 -","- C90 H130 Al2 N4 P2 Pd2 -","- C90 H130 Al2 N4 P2 Pd2 -","1","0.5","","Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard","The Partial Dehydrogenation of Aluminium Dihydrides","Chemical Science","2019","","","","","10.1039/C9SC02750E","","","0.71073","MoKα","","0.0281","0.0235","","","0.0559","0.0585","","","","","","1.045","","","","has coordinates,has disorder","217515","2020-10-21","18:00:00",""
"1552215","9.5661","0.0001","14.0025","0.0002","21.2941","0.0003","90","","94.929","0.001","90","","2841.78","0.06","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate","","- C28 H29 Co F6 N4 O2 P -","- C28 H29 Co F6 N4 O2 P -","- C112 H116 Co4 F24 N16 O8 P4 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0333","0.0316","","","0.0817","0.0831","","","","","","1.035","","","","has coordinates","217516","2020-10-21","18:00:00",""
"1552216","15.5155","0.0007","13.3294","0.0005","18.3984","0.0008","90","","103.643","0.005","90","","3697.7","0.3","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-zinc(II) hexafluorophosphate toluene solvate","","- C38.5 H41 F6 N4 O2 P Zn -","- C38.5 H41 F6 N4 O2 P Zn -","- C154 H164 F24 N16 O8 P4 Zn4 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0696","0.0516","","","0.1346","0.1501","","","","","","1.035","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552217","11.5686","0.0001","31.881","0.0004","22.0748","0.0002","90","","94.031","0.001","90","","8121.45","0.14","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-di-tert-butyl-catecholato)-(tris(6-methyl-2-pyridylmethyl)amine)-zinc(II) hexafluorophosphate toluene solvate","","- C42 H52 F6 N4 O2 P Zn -","- C42 H52 F6 N4 O2 P Zn -","- C336 H416 F48 N32 O16 P8 Zn8 -","8","2","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0463","0.0426","","","0.1157","0.1191","","","","","","1.037","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552218","15.4478","0.0004","13.2858","0.0003","18.489","0.0005","90","","103.839","0.003","90","","3684.46","0.17","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C38.5 H41 Co F6 N4 O2 P -","- C38.5 H41 Co F6 N4 O2 P -","- C154 H164 Co4 F24 N16 O8 P4 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0568","0.0472","","","0.1202","0.127","","","","","","1.052","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552219","13.275","0.0004","13.448","0.0005","16.9694","0.0005","86.195","0.003","72.635","0.003","84.222","0.003","2874.55","0.17","130","0.1","130","0.1","","","","","","","","7","P -1","-P 1","2","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate","","- C28 H29 Co F6 N4 O2 P -","- C28 H29 Co F5.997 N4 O2 P0.9995 -","- C112 H116 Co4 F23.988 N16 O8 P3.998 -","4","2","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0469","0.0403","","","0.1069","0.112","","","","","","1.036","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552220","11.306","0.0002","13.5277","0.0002","18.5746","0.0003","90","","92.55","0.001","90","","2838.06","0.08","130","0.1","130","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3,4,5,6-tetrabromocatecholato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II):zinc(II)","","- C27 H24 Br4 Co0.06 N4 O2 Zn0.94 -","- C27 H24 Br4 Co0.061 N4 O2 Zn0.939 -","- C108 H96 Br16 Co0.244 N16 O8 Zn3.756 -","4","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0255","0.0237","","","0.0622","0.0634","","","","","","1.067","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552221","9.7975","0.0002","13.688","0.0002","13.4124","0.0003","90","","108.897","0.002","90","","1701.77","0.06","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C35 H37 Co F6 N4 O2 P -","- C35 H37 Co F6 N4 O2 P -","- C70 H74 Co2 F12 N8 O4 P2 -","2","1","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0298","0.0291","","","0.0764","0.0771","","","","","","1.037","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552222","11.57434","0.00004","31.75314","0.0001","22.05467","0.00007","90","","94.1148","0.0003","90","","8084.67","0.05","99.99","0.13","99.99","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(3,5-di-tert-butyl-catecholato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate toluene solvate","","- C42 H52 Co F6 N4 O2 P -","- C42 H52 Co F6 N4 O2 P -","- C336 H416 Co8 F48 N32 O16 P8 -","8","2","","Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette","Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies","Chemical Science","2019","","","","","10.1039/C9SC00914K","","x-ray","1.54184","CuKα","","0.0438","0.0424","","","0.1157","0.1167","","","","","","1.052","","","","has coordinates,has disorder","217516","2020-10-21","18:00:00",""
"1552223","7.4331","0.0002","8.9471","0.0003","26.8786","0.0009","90","","94.896","0.003","90","","1781.03","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Fik, Marta A.; Gapińska, Magdalena; Trzybiński, Damian; Woźniak, Krzysztof; Vrček, Valerije; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent pyrenyl-GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cells.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","10","2449","2460","10.1039/c9pp00271e","","x-ray","1.54184","CuKα","","0.0643","0.0541","","","0.1445","0.1567","","","","","","1.073","","","","has coordinates","225315","2020-10-21","18:00:00",""
"1552224","14.0842","0.0005","6.3205","0.0002","42.4385","0.0015","90","","92.56","0.003","90","","3774.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F5 N2 O -","- C22 H15 F5 N2 O -","- C176 H120 F40 N16 O8 -","8","2","","Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan","Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets","Chemical Science","2019","","","","","10.1039/C9SC03111A","","x-ray","1.54184","CuKα","","0.0669","0.0503","","","0.1268","0.141","","","","","","1.012","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1552225","19.5027","0.0009","5.9539","0.0003","20.2366","0.0009","90","","111.013","0.005","90","","2193.55","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F5 N3 -","- C25 H22 F5 N3 -","- C100 H88 F20 N12 -","4","1","","Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan","Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets","Chemical Science","2019","","","","","10.1039/C9SC03111A","","x-ray","1.54184","CuKα","","0.0925","0.07","","","0.2284","0.2659","","","","","","1.054","","","","has coordinates","217532","2020-10-21","18:00:00",""
"1552226","11.1225","0.0004","12.8307","0.0005","13.8928","0.0005","100.865","0.003","91.711","0.003","103.357","0.003","1888.83","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F5 N2 -","- C22 H15 F5 N2 -","- C88 H60 F20 N8 -","4","2","","Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan","Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets","Chemical Science","2019","","","","","10.1039/C9SC03111A","","x-ray","1.54184","CuKα","","0.0725","0.0614","","","0.1672","0.1799","","","","","","1.045","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552227","13.36","0.03","13.86","0.03","15.84","0.03","88.34","0.03","84.94","0.03","87.51","0.03","2918","11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H62 Cl6 Cu3 N6 O8 S2 -","- C54 H62 Cl6 Cu3 N6 O8 S2 -","- C108 H124 Cl12 Cu6 N12 O16 S4 -","2","1","","Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu","Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity","Chemical Science","2019","","","","","10.1039/C9SC03338F","","","0.71073","MoKα","","0.189","0.0944","","","0.1395","0.1664","","","","","","1.071","","","","has coordinates","217533","2020-10-21","18:00:00",""
"1552228","9.163","0.003","12.719","0.004","13.205","0.005","65.072","0.009","87.457","0.008","73.991","0.007","1336.9","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H28 Cl2 Cu N2 O3 S -","- C27 H28 Cl2 Cu N2 O3 S -","- C54 H56 Cl4 Cu2 N4 O6 S2 -","2","1","","Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu","Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity","Chemical Science","2019","","","","","10.1039/C9SC03338F","","","0.71073","MoKα","","0.1812","0.105","","","0.1854","0.2068","","","","","","1.096","","","","has coordinates,has disorder","217533","2020-10-21","18:00:00",""
"1552229","9.1168","0.0014","13.355","0.003","16.904","0.003","90","","97.889","0.005","90","","2038.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl2 Cu N3 S -","- C20 H23 Cl2 Cu N3 S -","- C80 H92 Cl8 Cu4 N12 S4 -","4","1","","Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu","Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity","Chemical Science","2019","","","","","10.1039/C9SC03338F","","","0.71073","MoKα","","0.105","0.0549","","","0.1126","0.1404","","","","","","1.062","","","","has coordinates,has disorder","217533","2020-10-21","18:00:00",""
"1552230","9.4242","0.0003","23.7038","0.0009","13.4085","0.0004","90","","100.468","0.003","90","","2945.46","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 B2 Br2 -","- C38 H26 B2 Br2 -","- C152 H104 B8 Br8 -","4","1","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0509","0.0427","","","0.0939","0.0976","","","","","","1.146","","","","has coordinates,has disorder","265221","2021-05-14","10:01:31",""
"1552231","24.03","0.005","3.8493","0.0006","10.627","0.003","90","","92.763","0.019","90","","981.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H18 B2 -","- C32 H18 B2 -","- C64 H36 B4 -","2","0.5","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0855","0.0611","","","0.1262","0.1358","","","","","","1.036","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552232","14.113","0.004","14.98","0.005","16.668","0.005","103.27","0.03","101.8","0.02","108.84","0.02","3093.9","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H27 B2 N2 O -","- C43 H27 B2 N2 O -","- C172 H108 B8 N8 O4 -","4","2","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.3199","0.1174","","","0.2009","0.2919","","","","","","0.881","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552233","3.8376","0.0006","13.5325","0.0014","38.521","0.006","90","","93.02","0.012","90","","1997.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 B2 O -","- C32 H18 B2 O -","- C128 H72 B8 O4 -","4","1","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","1.54186","CuKα","","0.2342","0.1307","","","0.2252","0.272","","","","","","1.78","","","","has coordinates","217546","2020-10-21","18:00:00",""
"1552234","10.1254","0.0006","11.9749","0.0007","23.3063","0.0015","89.356","0.005","89.874","0.005","84.455","0.005","2812.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 B2 Br2 I2 -","- C32 H18 B2 Br2 I2 -","- C128 H72 B8 Br8 I8 -","4","2","","Radtke, Julian; Schickedanz, Kai; Bamberg, Marcel; Menduti, Luigi; Schollmeyer, Dieter; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Selective access to either a doubly boron-doped tetrabenzopentacene or an oxadiborepin from the same precursor","Chemical Science","2019","","","","","10.1039/C9SC03115D","","","0.71073","MoKα","","0.0988","0.0567","","","0.1259","0.1424","","","","","","0.935","","","","has coordinates,has disorder","217546","2020-10-21","18:00:00",""
"1552235","31.6324","0.0014","11.8423","0.0007","25.7817","0.0012","90","","108.231","0.003","90","","9173","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H138 K2 N4 O12 Si9 Sn2 -","- C72 H138 K2 N4 O12 Si9 Sn2 -","- C288 H552 K8 N16 O48 Si36 Sn8 -","4","0.5","","Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F","Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon","Chemical Science","2019","","","","","10.1039/C9SC03324F","","","0.71073","MoKα","","0.0978","0.0444","","","0.0836","0.0997","","","","","","0.928","","","","has coordinates,has disorder","217547","2020-10-21","18:00:00",""
"1552236","16.4939","0.0009","25.3561","0.0017","22.6197","0.0012","90","","90.756","0.004","90","","9459.2","1","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C60 H131 F K2 N4 O12 Si17 -","- C60 H131 F K2 N4 O12 Si17 -","- C240 H524 F4 K8 N16 O48 Si68 -","4","2","","Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F","Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon","Chemical Science","2019","","","","","10.1039/C9SC03324F","","","0.71073","MoKα","","0.1411","0.0729","","","0.1606","0.188","","","","","","0.932","","","","has coordinates,has disorder","217547","2020-10-21","18:00:00",""
"1552237","13.8609","0.0004","20.1753","0.0006","8.7717","0.0003","90","","94.944","0.001","90","","2443.86","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B N O5 -","- C26 H36 B N O5 -","- C104 H144 B4 N4 O20 -","4","1","","Unthank, Matthew G.; Cameron, Colin; Wright, Anthony; Hughes, David; Alam, M. Ashraf; Probert, Michael R.","Amino-diol borate complexation for controlling transport phenomena of penetrant molecules into polymeric matrices","Polymer Chemistry","2019","10","36","4920","","10.1039/C9PY00780F","","x-ray","1.54178","CuKα","","0.053","0.0522","","","0.149","0.1497","","","","","","1.071","","","","has coordinates,has disorder","225349","2020-10-21","18:00:00",""
"1552238","5.7854","0.0007","9.2974","0.0011","12.6443","0.0012","90","","94.217","0.01","90","","678.29","0.13","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","","- C17 H12 Cl Fe N O -","- C17 H12 Cl Fe N O -","- C34 H24 Cl2 Fe2 N2 O2 -","2","1","VM4041","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I.","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","IUCrData","2019","4","8","x191096","","10.1107/S2414314619010964","","","0.71073","MoKα","","0.0566","0.0467","","","0.1043","0.1142","","","","","","1.077","","","","has coordinates,has Fobs","217556","2020-10-21","18:00:00",""
"1552239","4.576","0.004","15.755","0.013","11.134","0.009","90","","100.45","0.03","90","","789.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","","- C7 H4 N2 O3 S -","- C7 H4 N2 O3 S -","- C28 H16 N8 O12 S4 -","4","1","HB4314","Jebbari, Said; Abdellatif, El Kihel; Ahbala, Mustapha; Saadi, Mohamed; El Ammari, Lahcen","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","IUCrData","2019","4","8","x191119","","10.1107/S2414314619011192","","","0.71073","MoKα","","0.052","0.0401","","","0.1027","0.1101","","","","","","1.033","","","","has coordinates,has Fobs","217557","2020-10-21","18:00:00",""
"1552240","6.7486","0.0002","10.2915","0.0003","11.4126","0.0004","90","","94.952","0.002","90","","789.68","0.04","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 S -","- C15 H16 N2 O6 S -","- C30 H32 N4 O12 S2 -","2","1","","Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T.","Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones","Chemical Science","2019","","","","","10.1039/C9SC03215K","","","1.54178","CuKα","","0.0294","0.0281","","","0.0694","0.0703","","","","","","1.057","","","","has coordinates","217567","2020-10-21","18:00:00",""
"1552241","7.5533","0.0002","9.7486","0.0002","29.0797","0.0006","90","","90","","90","","2141.26","0.08","125","2","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 S -","- C22 H24 N2 O7 S -","- C88 H96 N8 O28 S4 -","4","1","","Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T.","Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones","Chemical Science","2019","","","","","10.1039/C9SC03215K","","","1.54178","CuKα","","0.038","0.0367","","","0.0921","0.0931","","","","","","1.097","","","","has coordinates","217567","2020-10-21","18:00:00",""
"1552242","4.83","0.001","22.78","0.005","28.51","0.006","79.22","0.03","88.33","0.03","86.44","0.03","3075.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C125 H180 N4 O19 -","- C125 H180 N4 O19 -","- C125 H180 N4 O19 -","1","0.5","","Mulay, Sandip V.; Dishi, Or; Fang, Yuan; Niazi, Muhammad Rizwan; Shimon, Linda JW; Perepichka, Dmitrii; Gidron, Ori","A Macrocyclic Oligofuran: Synthesis, Solid State Structure and Electronic Properties","Chemical Science","2019","","","","","10.1039/C9SC03247A","","","0.8","synchrotron","","0.1301","0.097","","","0.2789","0.3072","","","","","","1.133","","","","has coordinates,has disorder","217594","2020-10-21","18:00:00",""
"1552243","8.156","0.003","10.264","0.004","16.438","0.006","90","","96.319","0.008","90","","1367.7","0.9","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Mu, Qiu-Chao; Nie, Yi-Xue; Bai, Xing-Feng; Chen, Jing; Yang, Lei; Xu, Zheng; Li, Li; Xia, Chungu; Xu, Li-Wen","Tertiary amine-directed and involved carbonylative cyclizations through Pd/Cu-cocatalyzed multiple C‒X (X = H or N) bond cleavage","Chemical Science","2019","","","","","10.1039/C9SC03081F","","x-ray","0.71073","MoKα","","0.1011","0.0531","","","0.1246","0.1509","","","","","","1.009","","","","has coordinates","217595","2020-10-21","18:00:00",""
"1552244","13.6605","0.0002","18.5231","0.0003","14.7583","0.0002","90","","97.9128","0.0005","90","","3698.81","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 Au B2 P2 -","- C42 H51 Au B2 P2 -","- C168 H204 Au4 B8 P8 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0203","0.0161","","","0.0373","0.0386","","","","","","1.035","","","","has coordinates","217596","2020-10-21","18:00:00",""
"1552245","10.735","0.0004","19.4697","0.0006","16.9388","0.0006","90","","107.561","0.0005","90","","3375.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Au B2 O2 P2 -","- C37 H45 Au B2 O2 P2 -","- C148 H180 Au4 B8 O8 P8 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0176","0.0149","","","0.0353","0.0362","","","","","","1.049","","","","has coordinates","217596","2020-10-21","18:00:00",""
"1552246","9.4884","0.0003","16.6011","0.0005","18.4187","0.0005","82.1272","0.0005","83.3368","0.0005","81.827","0.0005","2830.91","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Au B2 K O10 P2 -","- C56 H76 Au B2 K O10 P2 -","- C112 H152 Au2 B4 K2 O20 P4 -","2","1","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0221","0.0191","","","0.0427","0.0439","","","","","","1.036","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552247","17.3226","0.0005","14.075","0.0004","18.5251","0.0005","90","","108.273","0.0005","90","","4289","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H128.5 Au2 B4 K2 O4 P4 -","- C88 H128.504 Au2 B4 K2 O4 P4 -","- C176 H257.008 Au4 B8 K4 O8 P8 -","2","0.5","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0326","0.0211","","","0.0398","0.0429","","","","","","1.06","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552248","17.085","0.003","17.761","0.003","18.264","0.003","91.133","0.002","91.253","0.002","90.383","0.002","5539.6","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H74 Au B2 K O9 P2 -","- C55 H74 Au B2 K O9 P2 -","- C220 H296 Au4 B8 K4 O36 P8 -","4","2","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0677","0.0464","","","0.0972","0.1063","","","","","","1.036","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552249","20.6988","0.0005","22.0547","0.0005","19.2806","0.0005","90","","92.3184","0.0005","90","","8794.5","0.4","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H65 Au B2 O P2 Si -","- C45 H65 Au B2 O P2 Si -","- C360 H520 Au8 B16 O8 P16 Si8 -","8","2","","Taylor, Jordan W.; McSkimming, Alex; Essex, Laura A.; Harman, W. Hill","CO2 reduction with protons and electrons at a boron-based reaction center","Chemical Science","2019","","","","","10.1039/C9SC02792K","","","0.71073","MoKα","","0.0286","0.0222","","","0.0498","0.0519","","","","","","1.023","","","","has coordinates,has disorder","217596","2020-10-21","18:00:00",""
"1552250","18.3331","0.0003","14.0402","0.0002","20.1069","0.0003","90","","107.894","0.002","90","","4925.17","0.14","291","2","291","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C240 H192 Cl8 N8 O16 -","8","1","","Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng","Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides","Chemical Science","2019","","","","","10.1039/C9SC02806D","","","1.54184","CuKα","","0.0607","0.0542","","","0.1569","0.1635","","","","","","1.055","","","","has coordinates","217623","2020-10-21","18:00:00",""
"1552251","5.9409","0.0002","10.8429","0.0002","32.9352","0.0005","90","","90","","90","","2121.57","0.09","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 F N O2 -","- C28 H20 F N O2 -","- C112 H80 F4 N4 O8 -","4","1","","Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng","Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides","Chemical Science","2019","","","","","10.1039/C9SC02806D","","","1.54184","CuKα","","0.0457","0.0438","","","0.1031","0.1041","","","","","","1.02","","","","has coordinates","217623","2020-10-21","18:00:00",""
"1552252","13.4206","0.0009","13.4206","0.0009","35.17","0.003","90","","90","","90","","6334.6","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C63 H65 B F24 Ir N P2 -","- C63 H65 B F24 Ir N P2 -","- C252 H260 B4 F96 Ir4 N4 P8 -","4","0.5","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.54178","CuKα","","0.0727","0.0564","","0.1381","0.132","0.1381","","","","","","0.9586","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552253","13.4887","0.0004","13.4887","0.0004","34.6571","0.0012","90","","90","","90","","6305.7","0.3","100","","100","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C61 H60 B F24 Ir N P2 -","- C61 H60 B F24 Ir N P2 -","- C244 H240 B4 F96 Ir4 N4 P8 -","4","0.5","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.5418","CuKα","","0.033","0.0307","","0.0729","0.0713","0.0729","","","","","","0.992","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552254","13.3252","0.0003","13.3891","0.0003","37.2399","0.0009","90","","90","","90","","6644.1","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H65 B F24 Ir N P2 -","- C67 H65 B F24 Ir N P2 -","- C268 H260 B4 F96 Ir4 N4 P8 -","4","1","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.5418","CuKα","","0.0451","0.0424","","0.1021","0.1003","0.1021","","","","","","0.9984","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552255","8.5051","0.0016","38.523","0.006","14.211","0.002","90","","100.466","0.006","90","","4578.7","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 F12 Fe N6 O5 S Sb2 -","- C36 H57 F12 Fe N6 O5 S Sb2 -","- C144 H228 F48 Fe4 N24 O20 S4 Sb8 -","4","1","","Sabenya, Gerard; Gamba, Ilaria; Gomez, Laura; Clémancey, Martin; Frisch, Jonathan; Klinker, Erik; Blondin, Geneviève; Torelli, Stephane; Que, Lawrence; Martin-Diaconescu, Vlad; Latour, Jean-Marc; Lloret Fillol, Julio; Costas, Miquel","Octahedral Iron (IV)-Tosylimido Complexes Exhibiting Single Electron-Oxidation Reactivity","Chemical Science","2019","","","","","10.1039/C9SC02526J","","","0.71073","MoKα","","0.0781","0.0489","","","0.0915","0.1015","","","","","","1.016","","","","has coordinates,has disorder","217625","2020-10-21","18:00:00",""
"1552256","38.656","0.004","18.5689","0.0019","22.026","0.002","90","","115.432","0.003","90","","14278","2","104","2","104","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C238.88 H234 F48 N19.29 Na4 O87.2 S2 -","- C238.876 H234 F48 N19.288 Na4 O87.2 S2 -","- C477.752 H468 F96 N38.576 Na8 O174.4 S4 -","2","0.5","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.1639","0.0934","","","0.2267","0.2684","","","","","","1.437","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552257","21.627","0.004","15.667","0.003","8.4646","0.0018","90","","100.217","0.006","90","","2822.6","1","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F6 N2 O9 -","- C28 H30 F6 N2 O9 -","- C112 H120 F24 N8 O36 -","4","1","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.0596","0.0429","","","0.0962","0.1026","","","","","","1.031","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552258","11.6762","0.0005","14.1244","0.0007","20.872","0.001","100.775","0.0016","91.7229","0.0017","99.9343","0.0017","3323.9","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.59 H61.07 F12 K2 N6.71 O22.3 -","- C58.593 H61.068 F12.003 K2 N6.706 O22.295 -","- C117.186 H122.136 F24.006 K4 N13.412 O44.59 -","2","1","","Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan","Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate","Chemical Science","2019","","","","","10.1039/C9SC02923K","","","0.71073","MoKα","","0.0441","0.0363","","","0.0849","0.0901","","","","","","1.032","","","","has coordinates,has disorder","217641","2020-10-21","18:00:00",""
"1552259","8.082","0.004","5.884","0.002","19.02","0.008","90","","101.21","0.006","90","","887.2","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N O2 -","- C10 H6 Cl N O2 -","- C40 H24 Cl4 N4 O8 -","4","1","","Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.","Organic & biomolecular chemistry","2019","17","36","8354","8357","10.1039/c9ob01710k","","","0.71073","MoKα","","0.0434","0.0411","","","0.0934","0.0947","","","","","","1.157","","","","has coordinates,has disorder","225268","2020-10-21","18:00:00",""
"1552260","10.406","0.003","9.108","0.002","10.949","0.003","90","","104.637","0.004","90","","1004","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","","Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.","Organic & biomolecular chemistry","2019","17","36","8354","8357","10.1039/c9ob01710k","","","0.71073","MoKα","","0.037","0.0358","","","0.0943","0.0954","","","","","","1.101","","","","has coordinates","225268","2020-10-21","18:00:00",""
"1552261","12.7584","0.0008","11.706","0.0007","13.3452","0.0008","90","","92.273","0.002","90","","1991.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Cycloheptylidene)thiosemicarbazide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C64 H120 N24 S8 -","8","2","","Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni","1-(Cycloheptylidene)thiosemicarbazide","IUCrData","2019","4","8","x191153","","10.1107/S2414314619011532","","","0.71073","MoKα","","0.0389","0.0333","","","0.0848","0.0914","","","","","","1.055","","","","has coordinates,has Fobs","217681","2020-10-21","18:00:00",""
"1552262","20.1853","0.0007","12.0295","0.0006","28.4889","0.0008","90","","90","","90","","6917.6","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H25 Cd4 N9 O25 -","- C54 H25 Cd4 N9 O25 -","- C216 H100 Cd16 N36 O100 -","4","1","","Cui, Ruixue; Wan, Yongyan; Ji, Guanfeng; Liu, Zhiliang","Highly Selective and Sensitive Fluorescent Sensor Based on Tb3+ Functionalized MOFs to Determinate Arginine in Urine: A Potential Application for Diagnosis of Cystinuria","The Analyst","2019","","","","","10.1039/C9AN01204D","","","1.54184","CuKα","","0.0806","0.0629","","","0.1473","0.1621","","","","","","0.976","","","","has coordinates","217701","2020-10-21","18:00:00",""
"1552263","9.5956","0.0003","9.7344","0.0004","10.4231","0.0004","90","","93.158","0.003","90","","972.12","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-(4-(Hydroxymethyl)-4,5-dihydrooxazol-2-yl)phenyl)diphenylphosphine oxide","","- C22 H20 N O3 P -","- C22 H20 N O3 P -","- C44 H40 N2 O6 P2 -","2","1","","Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei","A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products","Chemical Science","2019","","","","","10.1039/C9SC03843D","","x-ray","1.54184","CuKα","","0.0366","0.0327","","","0.0757","0.077","","","","","","1.002","","","","has coordinates","217732","2020-10-21","18:00:00",""
"1552264","12.1435","0.0003","10.3089","0.0002","8.5206","0.0002","90","","106.293","0.003","90","","1023.82","0.04","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","(2,2'-(propane-2,2-diyl)bis(4,5-dihydrooxazole-4,2-diyl))dimethanol","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","0.5","","Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei","A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products","Chemical Science","2019","","","","","10.1039/C9SC03843D","","x-ray","1.54184","CuKα","","0.0233","0.023","","","0.061","0.0612","","","","","","1.026","","","","has coordinates","217732","2020-10-21","18:00:00",""
"1552265","7.9935","0.0012","17.041","0.003","17.626","0.003","93.882","0.004","98.155","0.003","92.157","0.004","2368.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Marek144b (Veeru)","","","- C26 H36 O Si -","- C26 H36 O Si -","- C104 H144 O4 Si4 -","4","2","","Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander","Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel‒Crafts Alkylation","Chemical Science","2019","","","","","10.1039/C9SC03832A","","","0.71073","MoKα","","0.0725","0.045","","","0.1052","0.115","","","","","","0.941","","","","has coordinates","217763","2020-10-21","18:00:00",""
"1552266","13.3821","0.0015","12.1651","0.0012","16.6919","0.0018","90","","102.127","0.003","90","","2656.7","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 F O2 Si -","- C27 H37 F O2 Si -","- C108 H148 F4 O8 Si4 -","4","1","","Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander","Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel‒Crafts Alkylation","Chemical Science","2019","","","","","10.1039/C9SC03832A","","","0.71073","MoKα","","0.155","0.0721","","","0.1595","0.1988","","","","","","0.972","","","","has coordinates","217763","2020-10-21","18:00:00",""
"1552267","24.4039","0.0009","17.9573","0.0007","18.9278","0.0008","90","","90.465","0.001","90","","8294.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C2(43)-C90 Ni(OEP)","Er2C2@C2(43)-C90 Ni(OEP)","","- C140 H56 Er2 N4 Ni S0 -","- C140 H56 Er1.9998 N4 Ni -","- C560 H224 Er7.9992 N16 Ni4 -","4","0.5","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","0.82654","synchrotron","","0.1297","0.1059","","","0.2925","0.313","","","","","","1.07","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552268","24.7746","0.0008","17.6929","0.0006","23.2522","0.0007","90","","103.045","0.001","90","","9929.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C1-C90 Ni(OEP)","Er2C2@C1-C90 Ni(OEP)","","- C304 H144 Er4 N12 Ni3 S0 -","- C303 H144 Er4.0002 N12 Ni3 -","- C606 H288 Er8.0004 N24 Ni6 -","2","0.25","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","0.82654","synchrotron","","0.0958","0.0776","","","0.2297","0.2556","","","","","","1.023","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552269","24.2849","0.0017","18.2618","0.0013","18.5731","0.0013","90","","91.612","0.003","90","","8233.6","1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C2-C90 Ni(OEP)","Er2C2@C2-C90 Ni(OEP)","","- C134 H50 Er2 N4 Ni S0 -","- C134 H50 Er2 N4 Ni -","- C536 H200 Er8 N16 Ni4 -","4","0.5","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","1.54178","CuKα","","0.12","0.1084","","","0.3211","0.3296","","","","","","1.121","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552270","24.3837","0.0006","17.8891","0.0005","18.9805","0.0005","90","","90.101","0.001","90","","8279.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C2-C90 Ni(OEP)","Er2C2@C2-C90 Ni(OEP)","","- C128 H44 Er2 N4 Ni S0 -","- C128 H44 Er1.9992 N4 Ni -","- C512 H176 Er7.9968 N16 Ni4 -","4","0.5","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","0.82654","synchrotron","","0.1293","0.1131","","","0.2817","0.2965","","","","","","1.063","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552271","10.782","0.003","12.62","0.003","11.033","0.003","90","","106.298","0.007","90","","1440.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 I2 O2 -","- C12 H16 I2 O2 -","- C48 H64 I8 O8 -","4","1","","Herraiz, Ana G.; Suero, Marcos G.","A transition-metal-free & diazo-free styrene cyclopropanation","Chemical Science","2019","","","","","10.1039/C9SC02749A","","","0.71073","MoKα","","0.0413","0.0353","","","0.0884","0.0928","","","","","","1.071","","","","has coordinates","217801","2020-10-21","18:00:00",""
"1552272","5.1346","0.0001","14.3862","0.0003","23.4929","0.0006","90","","91.53","0.0009","90","","1734.74","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","borazatruxene","","","- C21 H18 B3 N3 -","- C21 H18 B3 N3 -","- C84 H72 B12 N12 -","4","1","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","","0.71073","MoKα","","0.1074","0.0525","","","0.1093","0.1289","","","","","","1.009","","","","has coordinates","217802","2020-10-21","18:00:00",""
"1552273","6.4509","0.0003","10.8604","0.0005","9.7158","0.0005","90","","99.032","0.004","90","","672.24","0.06","150","2","149.99","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 B N -","- C7 H10 B N -","- C28 H40 B4 N4 -","4","1","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","x-ray","0.71073","MoKα","","0.0572","0.0455","","","0.1116","0.1192","","","","","","1.048","","","","has coordinates","217802","2020-10-21","18:00:00",""
"1552274","20.4365","0.0005","20.4365","0.0005","8.654","0.0002","90","","90","","120","","3130.12","0.13","150","2","150.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 B3 N3 -","- C24 H24 B3 N3 -","- C144 H144 B18 N18 -","6","0.333333","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.0963","0.0995","","","","","","1.074","","","","has coordinates,has disorder","217802","2020-10-21","18:00:00",""
"1552275","36.5504","0.0007","36.5504","0.0007","36.5504","0.0007","90","","90","","90","","48828.8","1.6","297","2","297","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C70 H132 Ag17 N14 S28 -","- C70 H132 Ag17 N14 S28 -","- C840 H1584 Ag204 N168 S336 -","12","0.25","","Wu, Tong; Yin, Di; Hu, Xun; Yang, Bo; Liu, Hong; Xie, Yun-Peng; Liu, Shi-Xi; Ma, Lulu; Gao, Guang-Gang","A disulfur ligand stabilization approach to construct a silver(i)-cluster-based porous framework as a sensitive SERS substrate.","Nanoscale","2019","11","35","16293","16298","10.1039/c9nr05301h","","","1.54184","CuKα","","0.0622","0.0357","","","0.0879","0.1015","","","","","","1.034","","","","has coordinates","224668","2020-10-21","18:00:00",""
"1552276","8.2151","0.0005","9.285","0.0005","11.6086","0.0007","108.184","0.004","103.004","0.004","105.089","0.002","765.64","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","BV4022","Krishnan, G. Anantha; Kumar, C. Udhaya; Mohandas, T.; Pillai, M. Velayutham; Sakthivel, P.","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","IUCrData","2019","4","1","x190054","","10.1107/S2414314619000543","","","0.71073","MoKα","","0.1006","0.052","","","0.1313","0.1601","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","274689","2022-04-26","14:29:15",""
"1552277","6.189","","12.221","","12.196","","86.03","","75.35","","79.55","","877.396","","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","1","1","","Bisceglie, Franco; Orsoni, Nicolò; Pioli, Marianna; Bonati, Beatrice; Tarasconi, Pieralberto; Rivetti, Claudio; Amidani, Davide; Montalbano, Serena; Buschini, Annamaria; Pelosi, Giorgio","Cytotoxic activity of copper(ii), nickel(ii) and platinum(ii) thiosemicarbazone derivatives: interaction with DNA and the H2A histone peptide.","Metallomics : integrated biometal science","2019","11","10","1729","1742","10.1039/c9mt00166b","","","0.71073","MoKα","","0.0357","0.0352","","","0.0798","0.08","","","","","","1.051","","","","has coordinates,has disorder","224650","2020-10-21","18:00:00",""
"1552278","41.6903","0.0015","7.0301","0.0002","16.5254","0.0006","90","","111.887","0.001","90","","4494.3","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H22 N8 O2.5 S Sn -","- C17.5 H23.5 N8 O2.5 S Sn -","- C140 H188 N64 O20 S8 Sn8 -","8","1","","Wang, Jin; Wang, Ting; Fang, Yan; Lu, Yanli; Li, Xue","Tin thiocarbonohydrazone complexes: synthesis, crystal structures and biological evaluation","Toxicology Research","2019","","","","","10.1039/C9TX00109C","","","0.71073","MoKα","","0.0331","0.0252","","","0.0592","0.0654","","","","","","1.034","","","","has coordinates","217893","2020-10-21","18:00:00",""
"1552279","14.2062","0.0006","10.5143","0.0004","26.3152","0.0011","90","","100.831","0.001","90","","3860.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O2 S Sn -","- C17 H18 N4 O2 S Sn -","- C136 H144 N32 O16 S8 Sn8 -","8","2","","Wang, Jin; Wang, Ting; Fang, Yan; Lu, Yanli; Li, Xue","Tin thiocarbonohydrazone complexes: synthesis, crystal structures and biological evaluation","Toxicology Research","2019","","","","","10.1039/C9TX00109C","","","0.71073","MoKα","","0.0358","0.0279","","","0.0774","0.0807","","","","","","1.003","","","","has coordinates","217893","2020-10-21","18:00:00",""
"1552280","9.3571","0.0004","17.0983","0.0008","34.3432","0.0016","90","","90","","90","","5494.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O3 S Sn -","- C28 H26 N4 O3 S Sn -","- C224 H208 N32 O24 S8 Sn8 -","8","2","","Wang, Jin; Wang, Ting; Fang, Yan; Lu, Yanli; Li, Xue","Tin thiocarbonohydrazone complexes: synthesis, crystal structures and biological evaluation","Toxicology Research","2019","","","","","10.1039/C9TX00109C","","","0.71073","MoKα","","0.0823","0.0433","","","0.0682","0.0779","","","","","","0.937","","","","has coordinates","217893","2020-10-21","18:00:00",""
"1552281","7.5009","0.0009","7.6819","0.0009","19.387","0.003","99.733","0.011","100.641","0.011","90.523","0.009","1081.1","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,10-Dihydroindeno[2,1-<i>a</i>]indene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","2","BT4085","Detert, Heiner; Schollmeyer, Dieter","5,10-Dihydroindeno[2,1-<i>a</i>]indene","IUCrData","2019","4","8","x191179","","10.1107/S2414314619011799","","","0.71073","MoKα","","0.1351","0.056","","","0.1146","0.1413","","","","","","1.031","","","","has coordinates,has Fobs","217900","2020-10-21","18:00:00",""
"1552282","8.1066","0.0007","11.4813","0.001","13.2609","0.0012","93.055","0.005","100.818","0.005","100.577","0.005","1186.78","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N8 O2 S2 -","- C24 H18 N8 O2 S2 -","- C48 H36 N16 O4 S4 -","2","1","","Aschmann, Dennis; Riebe, Steffen; Neumann, Thorben; Killa, Dennis; Ostwaldt, Jan-Erik; Wölper, Christoph; Schmuck, Carsten; Voskuhl, Jens","A stimuli responsive two component supramolecular hydrogelator with aggregation-induced emission properties.","Soft matter","2019","15","36","7117","7121","10.1039/c9sm01513b","","","0.71073","MoKα","","0.0917","0.0502","","","0.1082","0.1257","","","","","","1.042","","","","has coordinates","225357","2020-10-21","18:00:00",""
"1552283","25.1361","0.0006","5.0949","0.0001","30.6018","0.0009","90","","109.649","0.002","90","","3690.84","0.16","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O6 S8 -","- C30 H36 O6 S8 -","- C120 H144 O24 S32 -","4","1","","Gaedke, Marius; Witte, Felix; Anhäuser, Jana; Hupatz, Henrik; Schröder, Hendrik V.; Valkonen, Arto; Rissanen, Kari; Lützen, Arne; Paulus, Beate; Schalley, Christoph A.","Chiroptical inversion of a planar chiral redox-switchable rotaxane","Chemical Science","2019","","","","","10.1039/C9SC03694F","","","0.71073","MoKα","","0.1606","0.0734","","","0.1436","0.177","","","","","","1.018","","","","has coordinates,has disorder","217988","2020-10-21","18:00:00",""
"1552284","12.3149","0.0004","40.4691","0.0004","12.3281","0.0002","90","","117.839","0.003","90","","5432.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H108 Cl4 N14 O22 Zn2 -","- C112 H108 Cl4 N14 O22 Zn2 -","- C224 H216 Cl8 N28 O44 Zn4 -","2","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.0489","0.0464","","","0.1248","0.1276","","","","","","1.023","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552285","19.4539","0.0005","23.9678","0.0009","30.5016","0.0015","90.746","0.003","99.035","0.003","90.078","0.002","14044.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C257 H223.5 Cl6 N26.5 O42 Zn4 -","- C257 H223.5 Cl6 N26.5 O42 Zn4 -","- C514 H447 Cl12 N53 O84 Zn8 -","2","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.1901","0.1034","","","0.246","0.3181","","","","","","0.927","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552286","38.9929","0.0005","22.5983","0.0002","36.9118","0.0006","90","","104.464","0.001","90","","31494.8","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2 -","- C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2 -","- C1100 H1034 Cl32 N142 O184 S24 Zn16 -","8","1","","Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter","Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways","Chemical Science","2019","","","","","10.1039/C9SC03532J","","x-ray","1.54178","CuKα","","0.1052","0.0892","","","0.2612","0.28","","","","","","1.013","","","","has coordinates,has disorder","218024","2020-10-21","18:00:00",""
"1552287","10.7494","0.0011","16.2516","0.0015","18.7137","0.0018","90","","90","","90","","3269.2","0.5","298","2","298","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C18 H10 N O4 Zn -","- C18 H10 N O4 Zn -","- C144 H80 N8 O32 Zn8 -","8","0.25","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0903","0.0719","","","0.1782","0.1945","","","","","","1.076","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552288","10.7054","0.0007","16.2225","0.0011","18.7784","0.0012","90","","90","","90","","3261.2","0.4","298","2","298","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C18 H10 N O4 Zn -","- C17.5 H10 N O4 Zn -","- C140 H80 N8 O32 Zn8 -","8","0.25","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0931","0.0713","","","0.1882","0.207","","","","","","1.06","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552289","16.556","0.008","14.296","0.007","16.325","0.008","90","","97.679","0.012","90","","3829","3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 N O6 Zn -","- C19 H12 N O6 Zn -","- C152 H96 N8 O48 Zn8 -","8","1","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.182","0.1048","","","0.2707","0.3259","","","","","","1.032","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552290","10.899","0.003","16.264","0.005","10.897","0.003","90","","104.332","0.007","90","","1871.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H24 N2 O10 Zn2 -","- C37 H24 N2 O10 Zn2 -","- C74 H48 N4 O20 Zn4 -","2","0.5","","Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len","CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling","Chemical Science","2019","","","","","10.1039/C9SC04043A","","","0.71073","MoKα","","0.0756","0.0484","","","0.117","0.1331","","","","","","1.041","","","","has coordinates,has disorder","218052","2020-10-21","18:00:00",""
"1552291","9.9365","0.0003","10.4295","0.0003","18.8256","0.0005","94.895","0.002","96.163","0.002","115.854","0.003","1726.38","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 Cl2 I N4 S -","- C39 H31 Cl2 I N4 S -","- C78 H62 Cl4 I2 N8 S2 -","2","1","","Wang, Kang-Nan; Cao, Qian; Liu, Liu-Yi; Zhao, Zi-Jian; Liu, Wen-Ting; Zhou, Dan-Jie; Tan, Caiping; Xia, Wei; Ji, Liangnian; Mao, Zong-Wan","Charge-Driven Tripod Somersault on DNA for Ratiometric Fluorescence Imaging of Small Molecules in Nucleus","Chemical Science","2019","","","","","10.1039/C9SC03594J","","","1.54178","CuKα","","0.1033","0.0936","","","0.2586","0.2763","","","","","","1.054","","","","has coordinates","218053","2020-10-21","18:00:00",""
"1552292","23.354","0.003","5.6449","0.0007","7.7373","0.001","90","","90","","90","","1020","0.2","190","2","190","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","YC5020","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0938","0.0414","","","0.064","0.0757","","","","","","1.019","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552293","10.5366","0.0011","7.4255","0.0007","31.091","0.003","90","","90","","90","","2432.5","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0917","0.0565","","","0.1605","0.18","","","","","","1.087","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552294","9.3954","0.0009","10.055","0.002","19.911","0.002","101.278","0.005","92.285","0.005","111.552","0.005","1702.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 I2 N2 O6 -","- C36 H30 I2 N2 O6 -","- C72 H60 I4 N4 O12 -","2","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0906","0.0369","","","0.0834","0.1199","","","","","","1.017","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552295","21.7663","0.001","9.8526","0.0005","16.269","0.0007","90","","102.198","0.002","90","","3410.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I2 N2 O6 -","- C36 H30 I2 N2 O6 -","- C144 H120 I8 N8 O24 -","4","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","x-ray","1.2399","synchrotron","","0.0627","0.059","","","0.1651","0.1684","","","","","","1.048","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552296","19.7244","0.0019","12.392","0.0012","35.75","0.003","90","","99.796","0.006","90","","8610.8","1.4","190","2","190","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C416 H352 N32 O32 -","16","2","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0756","0.0566","","","0.1402","0.1485","","","","","","1.047","","","","has coordinates,has disorder","218067","2020-10-21","18:00:00",""
"1552297","9.3713","0.0002","14.1059","0.0003","15.7347","0.0004","90","","90","","90","","2079.98","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)]","","- C10 H18 Co K N5 O7 S4 -","- C10 H18 Co K N5 O7 S4 -","- C40 H72 Co4 K4 N20 O28 S16 -","4","1","WM4108","Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin","Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O","IUCrData","2019","4","9","x191142","","10.1107/S2414314619011428","","","0.71073","MoKα","","0.061","0.0376","","","0.0539","0.0583","","","","","","0.98","","","","has coordinates,has Fobs","218068","2020-10-21","18:00:00",""
"1552298","14.8549","0.0008","5.1581","0.0003","10.5471","0.0006","90","","105.816","0.002","90","","777.56","0.08","149.98","","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-phenylphosphonato)zinc(II)]","","- C6 H5 O3 P Zn -","- C6 H5 O3 P Zn -","- C24 H20 O12 P4 Zn4 -","4","1","HB4317","Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers","Poly[(μ~4~-phenylphosphonato)zinc(II)]","IUCrData","2019","4","9","x191222","","10.1107/S2414314619012227","","","1.54178","CuKα","","0.0457","0.0449","","","0.1205","0.121","","","","","","1.0378","","","","has coordinates,has disorder","218069","2020-10-21","18:00:00",""
"1552299","6.2198","0.0003","16.9271","0.0008","10.446","0.0005","90","","101.013","0.003","90","","1079.53","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,5-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","LH4050","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3-(3,5-Dichlorophenyl)benzene-1,2-diol","IUCrData","2019","4","9","x191202","","10.1107/S2414314619012021","","","0.71073","MoKα","","0.0463","0.0333","","","0.0703","0.0742","","","","","","1.042","","","","has coordinates,has Fobs","218070","2020-10-21","18:00:00",""
"1552300","7.5318","0.0005","11.0092","0.0006","18.1896","0.0012","85.6","0.005","87.945","0.005","78.702","0.005","1474.34","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","2","HB4315","Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R.","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","IUCrData","2019","4","9","x191212","","10.1107/S2414314619012124","","","0.71073","MoKα","","0.0867","0.0459","","","0.11","0.1218","","","","","","0.962","","","","has coordinates,has Fobs","218073","2020-10-21","18:00:00",""
"1552301","9.1797","0.0013","30.203","0.004","11.0131","0.0016","90","","111.056","0.002","90","","2849.6","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","","- C34 H35 N O4 -","- C34 H35 N O4 -","- C136 H140 N4 O16 -","4","1","HB4313","Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","IUCrData","2019","4","9","x191205","","10.1107/S2414314619012057","","","0.71073","MoKα","","0.0727","0.0507","","","0.1342","0.1498","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","218074","2020-10-21","18:00:00",""
"1552302","49.115","0.01","15.305","0.003","28.157","0.005","90","","112.054","0.01","90","","19617","7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H126 Cu15 N O3 -","- C84 H72 Cu15 N O3 -","- C672 H576 Cu120 N8 O24 -","8","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.1982","0.0801","","","0.2028","0.2704","","","","","","1","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552303","10.1593","0.0008","10.295","0.0009","16.7352","0.0013","83.426","0.002","87.127","0.002","71.045","0.002","1644.4","0.2","296","2","296.46","","","","","","","","","3","P -1","-P 1","2","","","","- H18 O34 V10 -","- H36 O40 V10 -","- H72 O80 V20 -","2","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.0394","0.0346","","","0.1013","0.1049","","","","","","1.207","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552304","18.68","0.002","14.6314","0.0017","31.316","0.004","90","","104.937","0.003","90","","8269.9","1.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H204 Cu28 O10 S2 -","- C134 H96 Cu28 O10 S2 -","- C268 H192 Cu56 O20 S4 -","2","0.5","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.167","0.0761","","","0.1828","0.2144","","","","","","1.037","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552305","19.9192","0.0017","20.0207","0.0017","32.564","0.003","90.482","0.002","101.813","0.002","116.372","0.002","11315.2","1.7","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C180 H289 B3 Cl4 Cu47 F12 O22 P2 V2 -","- C180 H253.235 B3 Cl4 Cu47 F12 O22 P2 V2 -","- C360 H506.47 B6 Cl8 Cu94 F24 O44 P4 V4 -","2","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.0934","0.0681","","","0.1683","0.192","","","","","","1.115","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552306","11.9726","0.0015","7.5977","0.001","7.4217","0.0009","90","","97.625","0.004","90","","669.14","0.15","296","2","296.54","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 Cu O4 P -","- C3 H7 Cu O4 P -","- C12 H28 Cu4 O16 P4 -","4","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.1189","0.1177","","","0.3083","0.3087","","","","","","1.21","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552307","56.4611","0.0018","19.3733","0.0007","38.1762","0.0013","90","","96.377","0.002","90","","41500","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C165 H231 Cl4 Cu48 O22 -","- C165 H214 Cl4 Cu48 O21 -","- C1320 H1712 Cl32 Cu384 O168 -","8","1","","Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.","Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors","Chemical Science","2019","","","","","10.1039/C9SC03455B","","","0.71073","MoKα","","0.1081","0.061","","","0.1734","0.1936","","","","","","1.074","","","","has coordinates,has disorder","218077","2020-10-21","18:00:00",""
"1552308","10.0313","0.001","12.0323","0.0012","14.3201","0.0014","80.3583","0.001","74.2611","0.0011","79.409","0.0011","1622.6","0.3","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H56 Ba2 F12 N4 Ni2 O26 S4 -","- C50 H56 Ba2 F12 N4 Ni2 O26 S4 -","- C50 H56 Ba2 F12 N4 Ni2 O26 S4 -","1","0.5","","Kang, Kevin; Fuller, Jack; Reath, Alexander H.; Ziller, Joseph W.; Alexandrova, Anastassia; Yang, Jenny Y.","Installation of Internal Electric Fields by Non-Redox Active Cations in Transition Metal Complexes","Chemical Science","2019","","","","","10.1039/C9SC02870F","","","0.71073","MoKα","","0.0228","0.0219","","","0.0589","0.0594","","","","","","1.054","","","","has coordinates","218105","2020-10-21","18:00:00",""
"1552309","9.1543","0.0008","16.514","0.002","16.9255","0.0016","90","","101.501","0.002","90","","2507.3","0.4","88","2","88","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 F3 N2 Na Ni O9 S -","- C23 H24 F3 N2 Na Ni O9 S -","- C92 H96 F12 N8 Na4 Ni4 O36 S4 -","4","1","","Kang, Kevin; Fuller, Jack; Reath, Alexander H.; Ziller, Joseph W.; Alexandrova, Anastassia; Yang, Jenny Y.","Installation of Internal Electric Fields by Non-Redox Active Cations in Transition Metal Complexes","Chemical Science","2019","","","","","10.1039/C9SC02870F","","","0.71073","MoKα","","0.0255","0.0233","","","0.0586","0.0599","","","","","","1.046","","","","has coordinates","218105","2020-10-21","18:00:00",""
"1552311","5.8845","0.0001","13.8755","0.0002","21.6675","0.0003","90","","90","","90","","1769.16","0.05","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Cheng, Cang; Wan, Bin; Zhou, Bo; Gu, Yichao; Zhang, Yanghui","Enantioselective synthesis of quaternary 3,4-dihydroisoquinolinones via Heck carbonylation reactions: development and application to the synthesis of Minalrestat analogues","Chemical Science","2019","","","","","10.1039/C9SC03406D","","x-ray","1.54184","CuKα","","0.0291","0.028","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","218142","2020-10-21","18:00:00",""
"1552312","9.9885","0.0004","22.3509","0.0009","10.929","0.0004","90","","95.756","0.002","90","","2427.62","0.16","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Dimethyl-1,3-diphenyldisila-2oxa[3]nickelocenophane","","- C26.5 H24 Ni O Si2 -","- C26.5 H24 Ni O Si2 -","- C106 H96 Ni4 O4 Si8 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0419","0.0324","","","0.0819","0.086","","","","","","1.046","","","","has coordinates,has disorder","218143","2020-10-21","18:00:00",""
"1552313","7.9016","0.0006","9.6856","0.0007","14.8574","0.0011","90","","101.465","0.005","90","","1114.37","0.14","100","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methyltricarba[3]nickelocenophane","","- C14 H16 Ni -","- C14 H16 Ni -","- C56 H64 Ni4 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.046","0.0269","","","0.0522","0.0575","","","","","","1.012","","","","has coordinates,has disorder","218143","2020-10-21","18:00:00",""
"1552314","8.3913","0.0002","11.3601","0.0003","15.8756","0.0004","90","","90","","90","","1513.36","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,3,3-Tetramethyldisila-2-oxa[3]nickelocenophane","","- C14 H20 Ni O Si2 -","- C14 H20 Ni O Si2 -","- C56 H80 Ni4 O4 Si8 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0258","0.0227","","","0.0507","0.0519","","","","","","1.015","","","","has coordinates","218143","2020-10-21","18:00:00",""
"1552315","10.1921","0.0017","10.2027","0.0014","10.3527","0.0016","83.268","0.01","83.418","0.012","62.359","0.01","944.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,1?,2,2?-Bis(tetraisopropyldisiloxa)nickelocene","","- C34 H62 Ni O2 Si4 -","- C34 H62 Ni O2 Si4 -","- C34 H62 Ni O2 Si4 -","1","0.5","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0983","0.0825","","","0.2284","0.2546","","","","","","1.073","","","","has coordinates","218143","2020-10-21","18:00:00",""
"1552316","17.4314","0.0006","9.1871","0.0003","13.227","0.0004","90","","93.7501","0.0012","90","","2113.69","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(quinolinium) tetrabromidomanganate(II)","","- C18 H16 Br4 Mn N2 -","- C18 H16 Br4 Mn N2 -","- C72 H64 Br16 Mn4 N8 -","4","0.5","SJ4208","Papa, Veronica; Spannenberg, Anke; Beller, Matthias; Junge, Kathrin","Bis(quinolinium) tetrabromidomanganate(II)","IUCrData","2019","4","9","x191231","","10.1107/S2414314619012318","","","0.71073","MoKα","","0.0186","0.0163","","","0.0397","0.0406","","","","","","1.053","","","","has coordinates,has Fobs","218161","2020-10-21","18:00:00",""
"1552317","10.2673","0.0017","11.885","0.002","12.839","0.002","90.601","0.003","108.694","0.002","108.797","0.002","1393.5","0.4","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","3-Ethyl-4-methyl-3-pyrrolin-2-one‒3-ethyl-4-methyl-3-pyrroline-2,5-dione (1/1)","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","2","HB4316","Gehman, Zoë M.; Kassel, W. Scott; Piro, Nicholas A.","1:1 Co-crystal of 3-ethyl-4-methyl-3-pyrrolin-2-one and 3-ethyl-4-methyl-3-pyrroline-2,5-dione","IUCrData","2019","4","9","x191209","","10.1107/S2414314619012094","","","0.71073","MoKα","","0.0724","0.0493","","","0.1158","0.129","","","","","","1.023","","","","has coordinates,has Fobs","218162","2020-10-21","18:00:00",""
"1552318","10.238","0.002","19.104","0.004","9.463","0.002","90","","90","","90","","1850.8","0.7","298","","298","","","","","","","","","4","I b a 2","I 2 -2c","45","","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","","- C6 H10 Cd O6 -","- C6 H10 Cd O6 -","- C48 H80 Cd8 O48 -","8","1","WM4107","Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","IUCrData","2019","4","9","x191255","","10.1107/S2414314619012550","","","0.71073","MoKα","","0.029","0.0253","","","0.0625","0.0646","","","","","","1.054","","","","has coordinates,has Fobs","218163","2020-10-21","18:00:00",""
"1552319","11.1406","0.0004","14.7364","0.0006","36.651","0.0019","90","","95.557","0.004","90","","5988.8","0.5","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H18 F10 N3 O2 -","- C35 H18 F10 N3 O2 -","- C280 H144 F80 N24 O16 -","8","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.1242","0.0634","","","0.1403","0.1699","","","","","","1.035","","","","has coordinates","218201","2020-10-21","18:00:00",""
"1552320","12.2124","0.0003","14.5258","0.0003","32.7959","0.0007","90","","90","","90","","5817.8","0.2","180","0.1","180","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -","- C32.5 H9.5 Cl1.5 F10 N3 O2 Pt -","- C260 H76 Cl12 F80 N24 O16 Pt8 -","8","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.0525","0.0365","","","0.0885","0.0956","","","","","","1.026","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552321","10.6992","0.0004","15.7524","0.0006","16.7744","0.0008","100.088","0.003","97.914","0.003","90.165","0.003","2755.9","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H9 F10 N3 O2 Pd -","- C32 H9 F10 N3 O2 Pd -","- C128 H36 F40 N12 O8 Pd4 -","4","2","","Yao, Yuhang; Hou, Chun-Liang; Yang, Zi-Shu; Ran, Guangliu; Kang, Lei; Li, Cuicui; Zhang, Wenkai; Zhang, Jing; Zhang, Jun-Long","Unusual Near Infrared (NIR) Fluorescent Palladium(II) Macrocyclic Complexes Containing M-C Bond with the Bioimaging Capability","Chemical Science","2019","","","","","10.1039/C9SC04044G","","x-ray","0.71073","MoKα","","0.0671","0.053","","","0.1419","0.1491","","","","","","1.082","","","","has coordinates","218201","2020-10-21","18:00:00",""
"1552322","9.6214","0.0003","10.8141","0.0003","15.9731","0.0005","76.964","0.003","79.006","0.003","64.023","0.003","1447.5","0.09","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 Br -","- C18 H15 Br -","- C72 H60 Br4 -","4","2","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0937","0.0921","","","0.229","0.2297","","","","","","1.086","","","","has coordinates","218236","2020-10-21","18:00:00",""
"1552323","10.9002","0.0003","20.0267","0.0004","7.6356","0.0001","90","","90","","90","","1666.81","0.06","293.8","0.17","293.8","0.17","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0579","0.0505","","","0.1504","0.1605","","","","","","1.027","","","","has coordinates,has disorder","218236","2020-10-21","18:00:00",""
"1552324","5.79782","0.00009","7.59133","0.00014","63.3743","0.0011","90","","90","","90","","2789.3","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C136 H120 Br8 O8 -","8","2","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0607","0.0603","","","0.1306","0.1307","","","","","","1.311","","","","has coordinates","218236","2020-10-21","18:00:00",""
"1552325","8.5944","0.0001","5.9312","0.0001","16.3498","0.0002","90","","104.547","0.001","90","","806.71","0.02","150.01","0.1","150.01","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C21 H20 -","- C21 H20 -","- C42 H40 -","2","1","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54178","CuKα","","0.0457","0.0451","","","0.1264","0.127","","","","","","1.074","","","","has coordinates,has disorder","218236","2020-10-21","18:00:00",""
"1552326","10.042","0.004","21.179","0.008","9.137","0.003","90","","113.576","0.005","90","","1781.1","1.1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl N2 O3 Pt S -","- C16 H17 Cl N2 O3 Pt S -","- C64 H68 Cl4 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","","0.71073","MoKα","","0.0295","0.0277","","","0.0771","0.0781","","","","","","1.124","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552327","9.5523","0.0004","18.2853","0.0006","10.8746","0.0004","90","","95.584","0.004","90","","1890.42","0.12","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N2 O3 Pt S -","- C17 H19 Cl N2 O3 Pt S -","- C68 H76 Cl4 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0572","0.0413","","","0.0867","0.0961","","","","","","1.02","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552328","12.476","0.0002","21.4728","0.0005","7.00394","0.00016","90","","90","","90","","1876.32","0.07","298.15","","298.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H16 Cl2 N2 O3 Pt S -","- C16 H14 Cl2 N2 O3 Pt S -","- C64 H56 Cl8 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0328","0.0275","","","0.0627","0.0649","","","","","","1.057","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552329","5.8117","0.0017","10.739","0.003","14.832","0.004","74.851","0.004","79.576","0.004","87.129","0.004","878.8","0.4","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H16 Cl F N2 O3 Pt S -","- C16 H16 Cl F N2 O3 Pt S -","- C32 H32 Cl2 F2 N4 O6 Pt2 S2 -","2","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","","0.71073","MoKα","","0.0193","0.0177","","","0.0435","0.0443","","","","","","1.045","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552330","5.6653","0.0005","19.55","0.002","16.9661","0.0017","90","","91.032","0.009","90","","1878.8","0.3","296.15","","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br Cl N2 O3 Pt S -","- C16 H15 Br Cl N2 O3 Pt S -","- C64 H60 Br4 Cl4 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0711","0.0537","","","0.1231","0.1355","","","","","","1.034","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552331","25.2129","0.0004","14.9535","0.0003","20.2524","0.0005","90","","97.136","0.002","90","","7576.4","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","DyEr@C82/NiOEP/C7H8","","","- C125 H52 Dy Er N4 Ni -","- C124.5 H54 Dy1.0001 Er1.0001 N4 Ni -","- C498 H216 Dy4.0004 Er4.0004 N16 Ni4 -","4","0.5","","Nie, Mingzhe; Yang, Le; Zhao, Chong; Meng, Haibing; Feng, Lai; Jin, Peng; Wang, Chunru; Wang, Taishan","A luminescent single-molecule magnet of dimetallofullerene with cage-dependent properties.","Nanoscale","2019","11","40","18612","18618","10.1039/c9nr05255k","","","0.71073","MoKα","","0.1053","0.0917","","","0.2588","0.2717","","","","","","1.002","","","","has coordinates,has disorder","224663","2020-10-21","18:00:00",""
"1552332","13.2243","0.0001","16.1431","0.0002","24.3966","0.0003","90","","90.958","0.001","90","","5207.49","0.1","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)caesium] pentacarbonylmolybdate","","- C41 H72 Cs2 Mo N4 O17 -","- C41 H72 Cs2 Mo N4 O17 -","- C164 H288 Cs8 Mo4 N16 O68 -","4","1","WM4112","Kaas, Marina; Korber, Nikolaus","Synthesis and crystal structure of [Cs([2.2.2]crypt)]~2~[Mo(CO)~5~]","IUCrData","2019","4","9","x191244","","10.1107/S2414314619012446","","","0.71073","MoKα","","0.039","0.0297","","","0.0617","0.0654","","","","","","1.073","","","","has coordinates,has Fobs","218290","2020-10-21","18:00:00",""
"1552333","5.6055","0.0008","27.048","0.003","10.1964","0.0014","90","","105.96","","90","","1486.4","0.3","200","2","199.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C72 H52 Cl4 N8 O4 -","4","1","","Zhao, Haoqiang; Xu, Xin; Luo, Zhenli; Cao, Lei; Li, Bohan; Li, Huanrong; Xu, Lijin; Fan, Qinghua; Walsh, Patrick J.","Rhodium(i)-catalyzed C6-selective C‒H alkenylation and polyenylation of 2-pyridones with alkenyl and conjugated polyenyl carboxylic acids","Chemical Science","2019","","","","","10.1039/C9SC03672E","","","0.71073","MoKα","","0.1059","0.0535","","","0.1086","0.1274","","","","","","1.022","","","","has coordinates","218404","2020-10-21","18:00:00",""
"1552334","19.9284","0.0003","17.0513","0.0002","21.1049","0.0004","90","","114.818","0.002","90","","6509.2","0.2","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 B F20 N2 Si4 Sm -","- C60 H84 B F20 N2 Si4 Sm -","- C240 H336 B4 F80 N8 Si16 Sm4 -","4","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","1.54184","CuKα","","0.0405","0.0361","","","0.0919","0.0944","","","","","","1.052","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552335","15.8309","0.0004","13.1077","0.0003","22.5379","0.0006","90","","109.043","0.003","90","","4420.8","0.2","100","0.02","100","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Cl N2 Si4 Tm -","- C36 H84 Cl N2 Si4 Tm -","- C144 H336 Cl4 N8 Si16 Tm4 -","4","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","0.71073","MoKα","","0.021","0.0185","","","0.0468","0.0476","","","","","","1.029","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552336","16.062","0.0003","25.9262","0.0006","16.7464","0.0003","90","","92.749","0.002","90","","6965.6","0.2","150","0.2","150","0.2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 B Cl2 F20 N2 Si4 Yb -","- C61 H86 B Cl2 F20 N2 Si4 Yb -","- C244 H344 B4 Cl8 F80 N8 Si16 Yb4 -","4","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","1.54184","CuKα","","0.1003","0.056","","","0.1146","0.1337","","","","","","1.007","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552337","16.3084","0.0003","16.802","0.0004","25.4751","0.0005","89.3578","0.0018","88.4783","0.0016","88.0167","0.0016","6973.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","[Tm(Ntt)2][BArF]","","- C61 H86 B Cl2 F20 N2 Si4 Tm -","- C61 H86 B Cl2 F20 N2 Si4 Tm -","- C244 H344 B4 Cl8 F80 N8 Si16 Tm4 -","4","2","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","0.71073","MoKα","","0.0377","0.0305","","","0.0678","0.0697","","","","","","1.049","","","","has coordinates,has disorder","218509","2020-10-21","18:00:00",""
"1552338","8.7293","0.0003","11.1712","0.0004","24.4919","0.0008","84.182","0.003","80.59","0.003","68.517","0.003","2190.3","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Yb(Ntt)2(F)]","","- C36 H84 F N2 Si4 Yb -","- C36 H84 F N2 Si4 Yb -","- C72 H168 F2 N4 Si8 Yb2 -","2","1","","Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.","Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands","Chemical Science","2019","","","","","10.1039/C9SC03431E","","x-ray","1.54184","CuKα","","0.0376","0.0355","","","0.0925","0.0937","","","","","","1.047","","","","has coordinates","218509","2020-10-21","18:00:00",""
"1552339","5.3689","0.0003","10.4011","0.0006","27.498","0.0015","90","","90","","90","","1535.56","0.15","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective carbene insertion into N‒H bond of benzophenone imine","Chemical Science","2019","","","","","10.1039/C9SC03354H","","","1.54178","CuKα","","0.0352","0.0342","","","0.086","0.0868","","","","","","1.087","","","","has coordinates","218510","2020-10-21","18:00:00",""
"1552340","11.3578","0.0002","16.004","0.0002","16.8541","0.0002","90","","90","","90","","3063.57","0.08","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O -","- C34 H46 N4 O -","- C136 H184 N16 O4 -","4","1","","Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective carbene insertion into N‒H bond of benzophenone imine","Chemical Science","2019","","","","","10.1039/C9SC03354H","","","1.54178","CuKα","","0.0433","0.0418","","","0.1071","0.1101","","","","","","1.058","","","","has coordinates","218510","2020-10-21","18:00:00",""
"1552341","16.4923","0.0009","13.8229","0.0007","14.3262","0.0008","90","","110.227","0.002","90","","3064.6","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Mn(CO)3(k3N-tqa]Br*(H2O)3","","- C4.714 H4.286 Br0.143 Mn0.143 N0.571 O0.857 -","- C4.71429 H4.28571 Br0.142857 Mn0.142857 N0.571429 O0.857143 -","- C132 H120 Br4 Mn4 N16 O24 -","28","7","","Güntzel, Paul; Nagel, Christoph; Weigelt, Jeanette; Betts, Jonathan; Pattrick, Calum A.; Southam, Hannah M.; LaRagione, Roberto; Poole, Robert; Schatzschneider, Ulrich","Biological activity of manganese(I) tricarbonyl complexes on multidrug-resistant Gram-negative bacteria: From functional studies to in vivo activity in Galleria mellonella","Metallomics","2019","","","","","10.1039/C9MT00224C","","","0.71073","MoKα","","0.0414","0.029","","","0.0633","0.0685","","","","","","1.0451","","","","has coordinates","218568","2020-10-21","18:00:00",""
"1552342","21.1522","0.0011","9.1254","0.0004","19.5533","0.0009","90","","107.649","0.002","90","","3596.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 Ge -","- C21 H17 F3 Ge -","- C168 H136 F24 Ge8 -","8","2","","Talavera, Maria; Müller, Robert; Ahrens, Theresia; von Hahmann, Cortney N.; Braun-Cula, Beatrice; Kaupp, Martin; Braun, Thomas","Activation of tetrafluoropropenes by rhodium(i) germyl and silyl complexes","Faraday Discussions","2019","","","","","10.1039/C9FD00059C","","","0.71073","MoKα","","0.0402","0.0306","","","0.0671","0.0706","","","","","","1.016","","","","has coordinates","218655","2020-10-21","18:00:00",""
"1552343","9.4391","0.0006","23.9058","0.0013","12.7167","0.0008","90","","92.174","0.004","90","","2867.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N4 Ni -","- C32 H44 N4 Ni -","- C128 H176 N16 Ni4 -","4","1","","Smith, Sofia Marie; Planas, Oriol; Gomez, Laura; Rath, Nigam; Ribas, Xavi; Mirica, Liviu M.","Aerobic C‒C and C‒O Bond Formation Reactions Mediated by High-Valent Nickel Species","Chemical Science","2019","","","","","10.1039/C9SC03758F","","","0.71073","MoKα","","0.117","0.0603","","","0.1255","0.1477","","","","","","1.037","","","","has coordinates","218835","2020-10-21","18:00:00",""
"1552344","21.2777","0.0018","8.9357","0.0007","17.3493","0.0015","90","","112.115","0.004","90","","3056","0.4","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B F4 N4 Ni O2 S -","- C32 H36 B F4 N4 Ni O2 S -","- C128 H144 B4 F16 N16 Ni4 O8 S4 -","4","1","","Smith, Sofia Marie; Planas, Oriol; Gomez, Laura; Rath, Nigam; Ribas, Xavi; Mirica, Liviu M.","Aerobic C‒C and C‒O Bond Formation Reactions Mediated by High-Valent Nickel Species","Chemical Science","2019","","","","","10.1039/C9SC03758F","","","0.71073","MoKα","","0.1351","0.0598","","","0.1125","0.1415","","","","","","1.013","","","","has coordinates,has disorder","218835","2020-10-21","18:00:00",""
"1552345","13.565","0.0006","16.4096","0.0007","19.6099","0.001","90","","93.577","0.002","90","","4356.6","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 F6 N6 Ni O4 S2 Sb -","- C42 H46 F6 N6 Ni O4 S2 Sb -","- C168 H184 F24 N24 Ni4 O16 S8 Sb4 -","4","1","","Smith, Sofia Marie; Planas, Oriol; Gomez, Laura; Rath, Nigam; Ribas, Xavi; Mirica, Liviu M.","Aerobic C‒C and C‒O Bond Formation Reactions Mediated by High-Valent Nickel Species","Chemical Science","2019","","","","","10.1039/C9SC03758F","","","0.71073","MoKα","","0.0814","0.0489","","","0.1138","0.1262","","","","","","1.318","","","","has coordinates,has disorder","218835","2020-10-21","18:00:00",""
"1552346","13.1751","0.0007","14.2709","0.0008","28.3358","0.0016","90","","90","","90","","5327.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BS-A-122","","","- C20 H44 Cl3 N P2 W -","- C20 H44 Cl3 N P2 W -","- C160 H352 Cl24 N8 P16 W8 -","8","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0451","0.0291","","","0.0473","0.0507","","","","","","1.081","","","","has coordinates","218836","2020-10-21","18:00:00",""
"1552347","19.7515","0.0009","13.2485","0.0006","22.2689","0.001","90","","90","","90","","5827.3","0.5","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","BS-C-116","","","- C47 H94 Cl2 F3 N4 O3 P4 S W2 -","- C47 H94 Cl2 F3 N4 O3 P4 S W2 -","- C188 H376 Cl8 F12 N16 O12 P16 S4 W8 -","4","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0683","0.0513","","","0.0968","0.1029","","","","","","1.081","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552348","35.4758","0.0014","14.6906","0.0006","24.6143","0.0017","90","","131.433","0.001","90","","9617.5","0.9","101","2","101","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","BS-C-103","","","- C100 H152 B2 Cl2 N4 O3 P4 W2 -","- C100 H152 B2 Cl2 N4 O3 P4 W2 -","- C400 H608 B8 Cl8 N16 O12 P16 W8 -","4","0.5","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0714","0.0373","","","0.0618","0.07","","","","","","1.018","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552349","19.1996","0.0008","10.9562","0.0004","16.6152","0.0007","90","","99.585","0.002","90","","3446.3","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","BS-B-135","","","- C27 H51 Cl F3 N2 O3 P2 S W -","- C27 H51 Cl F3 N2 O3 P2 S W -","- C108 H204 Cl4 F12 N8 O12 P8 S4 W4 -","4","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0371","0.0261","","","0.047","0.0495","","","","","","1.058","","","","has coordinates","218836","2020-10-21","18:00:00",""
"1552350","23.0363","0.0008","9.8057","0.0003","23.3255","0.0008","90","","111.35","0.002","90","","4907.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BS-A-165","","","- C40 H88 Cl2 N4 P4 W2 -","- C40 H88 Cl2 N4 P4 W2 -","- C160 H352 Cl8 N16 P16 W8 -","4","0.5","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0473","0.0303","","","0.0482","0.0518","","","","","","1.089","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552351","35.8282","0.0017","18.7973","0.0008","17.4964","0.0007","90","","90","","90","","11783.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H70 B2 N6 Ni -","- C69 H70 B2 N6 Ni -","- C552 H560 B16 N48 Ni8 -","8","1","","Sethuraman, Muthuramalingam; Anandababu, Karunanithi; Velusamy, Marappan; Ramasamy, Mayilmurugan","One Step Phenol Synthesis from Benzene Catalysed by Nickel(II) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01471C","","","0.71073","MoKα","","0.133","0.0762","","","0.1496","0.1768","","","","","","1.055","","","","has coordinates","218878","2020-10-21","18:00:00",""
"1552352","7.831","0.002","7.931","0.002","11.079","0.003","97.173","0.015","95.533","0.015","96.097","0.015","674.6","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","Gold(III) diazonium salt","","- C7 H7 Au Cl4 N2 O3 -","- C7 H7 Au Cl4 N2 O3 -","- C14 H14 Au2 Cl8 N4 O6 -","2","1","","Ahmad, Ahmad A. L.; Panicker, Seema; Chehimi, Mohamed M.; Monge, Miguel; López-de-Luzuriaga, José M.; Mohamed, Ahmed A.; Bruce, Alice E.; Bruce, Mitchell R. M.","Synthesis of Water-Soluble Gold-Aryl Nanoparticles with Distinct Catalytic Performance in the Reduction of the Environmental Pollutant 4-Nitrophenol","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01402K","","x-ray","0.71073","MoKα","","0.077","0.0445","","","0.0838","0.0937","","","","","","1.012","","","","has coordinates","218879","2020-10-21","18:00:00",""
"1552353","10.5788","0.0015","11.2602","0.0015","15.097","0.002","86.14","0.004","79.626","0.004","76.227","0.004","1717.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.24 H36.48 B K N4 O3.81 Pt -","- C27.24 H36.48 B K N4 O3.81 Pt -","- C54.48 H72.96 B2 K2 N8 O7.62 Pt2 -","2","1","","Pal, Shrinwantu; Patrick, Brian O.; Love, Jennifer A.","Platinum-mediated B‒H methoxylation of bis(pyrazolyl)borate","Faraday Discussions","2019","","","","","10.1039/C9FD00052F","","x-ray","0.71073","MoKα","","0.086","0.0712","","","0.1788","0.1865","","","","","","1.067","","","","has coordinates,has disorder","218899","2020-10-21","18:00:00",""
"1552354","9.6073","0.0005","15.6781","0.0009","35.365","0.002","90","","94.891","0.0011","90","","5307.4","0.5","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B K N4 O2 Pt -","- C26 H34 B K N4 O2 Pt -","- C208 H272 B8 K8 N32 O16 Pt8 -","8","2","","Pal, Shrinwantu; Patrick, Brian O.; Love, Jennifer A.","Platinum-mediated B‒H methoxylation of bis(pyrazolyl)borate","Faraday Discussions","2019","","","","","10.1039/C9FD00052F","","x-ray","0.71073","MoKα","","0.0474","0.0301","","","0.0548","0.0597","","","","","","1.035","","","","has coordinates,has disorder","218899","2020-10-21","18:00:00",""
"1552355","18.1038","0.0011","18.1038","0.0011","18.1038","0.0011","90","","90","","90","","5933.5","0.6","100","2","100","","","","","","","","","5","I m -3","-I 2 2 3","204","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent]","5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent]","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C264 H264 N24 O12 S12 -","6","0.125","ZQ4037","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione","IUCrData","2019","4","9","x191268","","10.1107/S2414314619012689","","","0.71073","MoKα","","0.0597","0.049","","","0.1095","0.1221","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","218918","2020-10-21","18:00:00",""
"1552356","14.822","0.0009","5.2416","0.0003","20.8364","0.0013","90","","90","","90","","1618.8","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HB4318","Sung, Jiha","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","IUCrData","2019","4","9","x191281","","10.1107/S2414314619012811","","","0.71073","MoKα","","0.0634","0.0366","","","0.0696","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","218919","2020-10-21","18:00:00",""
"1552357","11.8745","0.0007","11.8745","0.0007","11.8745","0.0007","90","","90","","90","","1674.35","0.17","","","298","","","","100","","","","","6","I a -3 d","-I 4bd 2c 3","230","Mn1.763Ca1.237V1.461Al0.539Si3O12","","momoiite","- Al0.539 Ca1.237 Mn1.763 O12 Si3 V1.461 -","- Al0.538 Ca1.236 Mn1.764 O12 Si3 V1.462 -","- Al4.304 Ca9.888 Mn14.112 O96 Si24 V11.696 -","8","0.0833333","","Endo, S.; Nagashima, M.; Enami, M.","Crystal chemistry and Raman spectroscopy of momoiite from Japan","Journal of Mineralogical and Petrological Sciences","2019","114","","161","169","10.2465/jmps.190219","","","","","","","","","","","","","","","","","","","","","has coordinates","218937","2020-10-21","18:00:00",""
"1552358","12.562","0.004","12.562","0.004","12.562","0.004","90","","90","","90","","1982.3","1.1","","","298","","","","100","","","","","4","I a -3 d","-I 4bd 2c 3","230","Ca3Al2(OH)12","","katoite Si-free","- Al2 Ca3 H12 O12 -","- Al2 Ca3 O12 -","- Al16 Ca24 O96 -","8","0.0833333","","Kyono, A.; Arora, S.","Crystal structure change in grossular-Si-free katoite solid solution: Oxygen position splitting in katoite","Journal of Mineralogical and Petrological Sciences","2019","114","","189","200","10.2465/jmps.190424","","","","","","","","","","","","","","","","","","","","","has coordinates","218938","2020-10-21","18:00:00",""
"1552359","12.49","0.004","12.49","0.004","12.49","0.004","90","","90","","90","","1948.4","1.1","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3Al2(SiO4)0.26(O4H4)2.74","","katoite","- Al2 Ca3 H10.96 O12 Si0.26 -","- Al2 Ca3 O12 Si0.264 -","- Al16 Ca24 O96 Si2.112 -","8","0.0833333","","Kyono, A.; Arora, S.","Crystal structure change in grossular-Si-free katoite solid solution: Oxygen position splitting in katoite","Journal of Mineralogical and Petrological Sciences","2019","114","","189","200","10.2465/jmps.190424","","","","","","","","","","","","","","","","","","","","","has coordinates","218939","2020-10-21","18:00:00",""
"1552360","12.546","0.003","12.546","0.003","12.546","0.003","90","","90","","90","","1974.8","0.8","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3Al2(SiO4)0.17(O4H4)2.83","","katoite","- Al2 Ca3 H11.32 O12 Si0.17 -","- Al2 Ca3 O12 Si0.168 -","- Al16 Ca24 O96 Si1.344 -","8","0.0833333","","Kyono, A.; Arora, S.","Crystal structure change in grossular-Si-free katoite solid solution: Oxygen position splitting in katoite","Journal of Mineralogical and Petrological Sciences","2019","114","","189","200","10.2465/jmps.190424","","","","","","","","","","","","","","","","","","","","","has coordinates","218940","2020-10-21","18:00:00",""
"1552361","12.448","0.002","12.448","0.002","12.448","0.002","90","","90","","90","","1928.9","0.5","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3Al2(SiO4)0.57(O4H4)2.43","","katoite","- Al2 Ca3 H9.72 O12 Si0.57 -","- Al2 Ca3 O12 Si0.57 -","- Al16 Ca24 O96 Si4.56 -","8","0.0833333","","Kyono, A.; Arora, S.","Crystal structure change in grossular-Si-free katoite solid solution: Oxygen position splitting in katoite : Ca3Al2(SiO4)0.57(O4H4)2.43 unspilt oxygen model","Journal of Mineralogical and Petrological Sciences","2019","114","","189","200","10.2465/jmps.190424","","","","","","","","","","","","","","","","","","","","","has coordinates","218941","2020-10-21","18:00:00",""
"1552362","12.4145","0.0018","12.4145","0.0018","12.4145","0.0018","90","","90","","90","","1913.3","0.5","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3Al2(SiO4)0.69(O4H4)2.31","","katoite","- Al2 Ca3 H9.24 O12 Si0.69 -","- Al2 Ca3 O12 Si0.693 -","- Al16 Ca24 O96 Si5.544 -","8","0.0833333","","Kyono, A.; Arora, S.","Crystal structure change in grossular-Si-free katoite solid solution: Oxygen position splitting in katoite : Ca3Al2(SiO4)0.69(O4H4)2.31 unspilt oxygen model","Journal of Mineralogical and Petrological Sciences","2019","114","","189","200","10.2465/jmps.190424","","","","","","","","","","","","","","","","","","","","","has coordinates","218942","2020-10-21","18:00:00",""
"1552363","19.057","0.0014","9.3346","0.0005","6.5322","0.0004","90","","92.752","0.002","90","","1160.67","0.13","","","298","","","","100","","","","","6","C 1 c 1","C -2yc","9","Ca3Zn2(PO4)2CO3(OH)2H2O","","skorpionite","- C H4 Ca3 O14 P2 Zn2 -","- C H4 Ca3 O14 P2 Zn2 -","- C4 H16 Ca12 O56 P8 Zn8 -","4","1","","Tobase, T.; Yoshiasa, A.; Jinnouchi, S.; Kitahara, G.; Hongu, H.; Tokuda, M.; Okube, M.; Sugiyama, K.","Crystal structure, large distortion of the Zn tetrahedron, and statistical displacement of water molecules in skorpionite : Cc model","Journal of Mineralogical and Petrological Sciences","2019","114","","178","188","10.2465/jmps.180801","","","","","","","","","","","","","","","","","","","","","has coordinates","218943","2020-10-21","18:00:00",""
"1552364","19.0715","0.0008","9.3321","0.0003","6.5338","0.0003","90","","92.6773","0.0012","90","","1161.6","0.08","","","298","","","","100","","","","","6","C 1 2/c 1","-C 2yc","15","Ca3Zn2(PO4)2CO3(OH)2H2O","","skorpionite","- C H4 Ca3 O14 P2 Zn2 -","- C H4 Ca3 O14 P2 Zn2 -","- C4 H16 Ca12 O56 P8 Zn8 -","4","0.5","","Tobase, T.; Yoshiasa, A.; Jinnouchi, S.; Kitahara, G.; Hongu, H.; Tokuda, M.; Okube, M.; Sugiyama, K.","Crystal structure, large distortion of the Zn tetrahedron, and statistical displacement of water molecules in skorpionite : C2/c model","Journal of Mineralogical and Petrological Sciences","2019","114","","178","188","10.2465/jmps.180801","","","","","","","","","","","","","","","","","","","","","has coordinates","218944","2020-10-21","18:00:00",""
"1552365","33.5643","0.0016","21.7048","0.0009","6.9605","0.0003","90","","90","","90","","5070.8","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H36 N4 O8 Pd -","- C52 H36 N4 O8 Pd -","- C208 H144 N16 O32 Pd4 -","4","0.5","","Li, Shuai; Mei, Hong-Min; Yao, Shi-Lin; Chen, Zhiyao; Lu, Yu-Lin; Zhang, Li; Su, Cheng-Yong","Well-Distributed Pt-Nanoparticles within Confined Coordination Interspaces of Self-Sensitized Porphyrin Metal-Organic Frameworks: Synergistic Effect Boosting Highly Efficient Photocatalytic Hydrogen Evolution Reaction","Chemical Science","2019","","","","","10.1039/C9SC01866B","","x-ray","1.54184","CuKα","","0.0932","0.072","","","0.1524","0.1663","","","","","","1.081","","","","has coordinates","218983","2020-10-21","18:00:00",""
"1552366","6.7708","0.0006","10.8979","0.001","19.414","0.002","90","","90","","90","","1432.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O -","- C18 H22 O -","- C72 H88 O4 -","4","1","","Wright, Austin C.; Stoltz, Brian M.","Enantioselective Construction of the Tricyclic Core of Curcusones A‒D via a Cross-electrophile Coupling Approach","Chemical Science","2019","","","","","10.1039/C9SC04127C","","","1.54178","CuKα","","0.0283","0.0282","","","0.0699","0.07","","","","","","1.059","","","","has coordinates","218984","2020-10-21","18:00:00",""
"1552367","5.429","0.005","5.42","0.006","12.582","0.005","90","","90","","90","","370.2","0.6","","","298","","","","100","","","","","4","F m m m","-F 2 2","69","Pr2Ni0.4Cu0.6O4 T phase","","Pr2Ni0.4Cu0.6O4","- Cu0.6 Ni0.4 O4 Pr2 -","- Cu0.4 Ni0.6 O4 Pr2 -","- Cu1.6 Ni2.4 O16 Pr8 -","4","0.125","","Wang, C.; Soga, H.; Yugi, T.; Sakai, M.; Okiba, T.; Hashimoto, T.","Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd, Sm, Eu, and their solid solution) based on type of Ln: Relationship between crystal structure and tolerance factor","Journal of the Ceramic Society of Japan","2019","127","","678","687","10.2109/jcersj2.19028","","","","","","","","","","","","","","","","","","","","","has coordinates","219049","2020-10-21","18:00:00",""
"1552368","3.962","0.008","3.962","0.008","12.238","0.006","90","","90","","90","","192.1","0.6","","","298","","","","100","","","","","3","I 4/m m m","-I 4 2","139","Pr2CuO4 T-prime phase","","Pr2CuO4","- Cu O4 Pr2 -","- Cu O4 Pr2 -","- Cu2 O8 Pr4 -","2","0.0625","","Wang, C.; Soga, H.; Yugi, T.; Sakai, M.; Okiba, T.; Hashimoto, T.","Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd, Sm, Eu, and their solid solution) based on type of Ln: Relationship between crystal structure and tolerance factor","Journal of the Ceramic Society of Japan","2019","127","","678","687","10.2109/jcersj2.19028","","","","","","","","","","","","","","","","","","","","","has coordinates","219050","2020-10-21","18:00:00",""
"1552369","7.8821","0.0002","11.748","0.0003","7.4169","0.0002","90","","113.906","0.001","90","","627.88","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Bromo-2-cyanopyridine","3-Bromopyridine-2-carbonitrile","","- C6 H3 Br N2 -","- C6 H3 Br N2 -","- C24 H12 Br4 N8 -","4","1","","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","3-Bromopyridine-2-carbonitrile","IUCrData","2019","4","10","x191326","","10.1107/S2414314619013269","","","0.71073","MoKα","","0.0169","0.016","","","0.0416","0.0422","","","","","","1.156","","","","has coordinates,has Fobs","225386","2020-10-21","18:00:00",""
"1552370","27.797","0.003","3.975","0.0004","14.4569","0.0015","90","","110.642","0.004","90","","1494.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","0.5","SJ4210","El Alami, Abouelhaoul; Hamid, Sdassi; El Kihel, Abdellatif; Saadi, Mohamed; El Ammari, Lahcen","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","IUCrData","2019","4","10","x191348","","10.1107/S2414314619013488","","","0.71073","MoKα","","0.0696","0.0504","","","0.1351","0.1482","","","","","","1.033","","","","has coordinates,has Fobs","219090","2020-10-21","18:00:00",""
"1552373","13.016","0.0012","13.814","0.0012","13.8529","0.0013","84.326","0.002","81.663","0.002","73.928","0.002","2363.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 Al2 Cl3 F55 O6 Se -","- C24 Al2 Cl3 F55 O6 Se -","- C48 Al4 Cl6 F110 O12 Se2 -","2","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0467","0.039","","","0.1076","0.1126","","","","","","1.053","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552374","9.6336","0.0002","10.4764","0.0003","16.8374","0.0004","81.433","0.002","73.486","0.001","63.371","0.001","1455.95","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 Al F36 O4 Tl -","- C16 Al F36 O4 Tl -","- C32 Al2 F72 O8 Tl2 -","2","2","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0325","0.0305","","","0.0725","0.0738","","","","","","1.028","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552375","17.32","0.0012","14.8685","0.001","10.2605","0.0007","90","","90","","90","","2642.3","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 Al Cl3 F28 O3 Se -","- C12 Al Cl3 F28 O3 Se -","- C48 Al4 Cl12 F112 O12 Se4 -","4","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0336","0.0275","","","0.066","0.068","","","","","","1.054","","","","has coordinates","219136","2020-10-21","18:00:00",""
"1552376","16.5135","0.0007","31.9553","0.0016","19.1323","0.0009","90","","105.965","0.001","90","","9706.6","0.8","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 Al Cl3 F36 O4 Se -","- C15.996 Al Cl3 F35.994 O3.999 Se0.999 -","- C191.952 Al12 Cl36 F431.928 O47.988 Se11.988 -","12","6","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0611","0.0435","","","0.1051","0.1129","","","","","","1.006","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552377","12.994","0.0006","13.817","0.0007","13.8774","0.0007","84.132","0.002","73.214","0.002","81.787","0.002","2356","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 Al2 Cl3 F55 O6 S -","- C24 Al2 Cl3 F55 O6 S -","- C48 Al4 Cl6 F110 O12 S2 -","2","1","","Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo","First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase","Chemical Science","2019","","","","","10.1039/C9SC03915E","","","0.71073","MoKα","","0.0843","0.0644","","","0.1905","0.2102","","","","","","1.078","","","","has coordinates,has disorder","219136","2020-10-21","18:00:00",""
"1552378","11.6946","0.0005","15.9924","0.0006","15.5144","0.0006","90","","97.492","0.004","90","","2876.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 -","- C44 H26 -","- C176 H104 -","4","1","","Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis","The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching","Chemical Science","2019","","","","","10.1039/C9SC04096J","","x-ray","1.54184","CuKα","","0.0539","0.0439","","","0.1053","0.1124","","","","","","1.029","","","","has coordinates","219137","2020-10-21","18:00:00",""
"1552379","9.73779","0.00016","17.0425","0.0003","15.4561","0.0003","90","","91.0108","0.0014","90","","2564.64","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 -","- C40 H24 -","- C160 H96 -","4","1","","Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis","The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching","Chemical Science","2019","","","","","10.1039/C9SC04096J","","x-ray","1.54184","CuKα","","0.049","0.0421","","","0.1029","0.1076","","","","","","1.028","","","","has coordinates","288248","2023-12-12","12:55:26",""
"1552380","17.38224","0.00013","15.79468","0.00012","24.01834","0.00018","90","","92.2024","0.0007","90","","6589.29","0.09","104","7","104","7","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H28.5 Cl1.5 -","- C48.5 H28.5 Cl1.5 -","- C388 H228 Cl12 -","8","1","","Yin, Xiaodong; Low, Jonathan Z.; Fallon, Kealan; Paley, Daniel W.; Campos, Luis","The Butterfly Effect in Bisfluorenylidene-based Dihydroacenes: Aggregation Induced Emission and Spin Switching","Chemical Science","2019","","","","","10.1039/C9SC04096J","","x-ray","1.54184","CuKα","","0.0544","0.0531","","","0.1402","0.1415","","","","","","1.023","","","","has coordinates,has disorder","219137","2020-10-21","18:00:00",""
"1552381","8.0853","0.0008","11.1856","0.0011","17.2322","0.0018","72.301","0.004","84.951","0.005","71.569","0.004","1408.5","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H74 S4 Si2 -","- C58 H74 S4 Si2 -","- C58 H74 S4 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0872","0.0626","","","0.1701","0.1946","","","","","","1.047","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552382","10.8629","0.0008","16.5136","0.0013","16.6836","0.0012","95.59","0.004","108.781","0.003","91.268","0.004","2815.4","0.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H78 S2 Si2 -","- C62 H78 S2 Si2 -","- C124 H156 S4 Si4 -","2","1","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0941","0.0809","","","0.2279","0.2388","","","","","","1.064","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552383","10.1547","0.0004","10.3853","0.0004","14.1353","0.0006","78.723","0.002","82.09","0.002","69.285","0.002","1363.6","0.1","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.039","0.0376","","","0.1216","0.1232","","","","","","1.047","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552384","8.1244","0.0003","11.8274","0.0005","16.6285","0.0008","70.294","0.003","75.906","0.002","82.317","0.002","1456.65","0.11","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H74 S6 Si2 -","- C62 H74 S6 Si2 -","- C62 H74 S6 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.062","0.0506","","","0.1323","0.1418","","","","","","1.035","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552385","9.7823","0.0004","10.1996","0.0004","14.8851","0.0005","93.369","0.002","97.824","0.002","110.239","0.002","1371.52","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","- C58 H66 S6 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","0.71073","MoKα","","0.1169","0.0866","","","0.202","0.2206","","","","","","1.041","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552386","8.2288","0.0003","11.6608","0.0004","16.9929","0.0006","107.49","0.002","101.781","0.002","96.241","0.002","1496.93","0.1","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H82 S2 Si2 -","- C70 H82 S2 Si2 -","- C70 H82 S2 Si2 -","1","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0877","0.0688","","","0.1597","0.1708","","","","","","1.077","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552387","15.7004","0.0007","8.3084","0.0004","22.3888","0.001","90","","105.425","0.002","90","","2815.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 S10 Si2 -","- C54 H70 S10 Si2 -","- C108 H140 S20 Si4 -","2","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0398","0.0353","","","0.0924","0.096","","","","","","1.068","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552388","10.2642","0.0002","17.5914","0.0004","16.7475","0.0004","90","","91.721","0.001","90","","3022.59","0.12","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 S6 Si2 -","- C64 H78 S6 Si2 -","- C128 H156 S12 Si4 -","2","0.5","","Petty, Anthony J.; Ai, Qianxiang; Sorli, Jeni C.; Haneef, Hamna F.; Purdum, Geoffrey E.; Boehm, Alex; Granger, Devin B.; Gu, Kaichen; Rubinger, Carla Patricia Lacerda; Parkin, Sean R.; Graham, Kenneth R.; Jurchescu, Oana D.; Loo, Yueh-Lin; Risko, Chad; Anthony, John E.","Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core","Chemical Science","2019","","","","","10.1039/C9SC02930C","","","1.54178","CuKα","","0.0968","0.0667","","","0.1767","0.201","","","","","","1.043","","","","has coordinates,has disorder","219138","2020-10-21","18:00:00",""
"1552389","15.5116","0.0002","13.167","0.0002","14.7344","0.0002","90","","116.841","0.001","90","","2685.15","0.07","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl I N4 O S Zn -","- C26 H20 Cl I N4 O S Zn -","- C104 H80 Cl4 I4 N16 O4 S4 Zn4 -","4","1","","Miller, Jessica J.; Blanchet, Anais; Orvain, Christophe; Nouchikian, Lucienne; Reviriot, Yasmin; Clarke, Ryan M.; Martelino, Diego; Wilson, Derek; Gaiddon, Christian; Storr, Tim","Bifunctional Ligand Design for Modulating Mutant p53 Aggregation in Cancer","Chemical Science","2019","","","","","10.1039/C9SC04151F","","","1.54178","CuKα","","0.0263","0.0246","","","0.0668","0.0691","","","","","","1.0497","","","","has coordinates","219139","2020-10-21","18:00:00",""
"1552390","13.2978","0.0007","14.2388","0.0007","15.8108","0.0009","101.656","0.002","99.123","0.003","99.532","0.002","2833.8","0.3","150","2","150.02","","","","","","","","","7","P -1","-P 1","2","","","","- C4 H3.23 Cl0.15 N0.62 O0.15 S0.15 Zn0.15 -","- C4 H3.23077 Cl0.153846 N0.615385 O0.153846 S0.153846 Zn0.153846 -","- C104 H84 Cl4 N16 O4 S4 Zn4 -","26","13","","Miller, Jessica J.; Blanchet, Anais; Orvain, Christophe; Nouchikian, Lucienne; Reviriot, Yasmin; Clarke, Ryan M.; Martelino, Diego; Wilson, Derek; Gaiddon, Christian; Storr, Tim","Bifunctional Ligand Design for Modulating Mutant p53 Aggregation in Cancer","Chemical Science","2019","","","","","10.1039/C9SC04151F","","","1.54178","CuKα","","0.0647","0.0616","","","0.1447","0.147","","","","","","1.08","","","","has coordinates","219139","2020-10-21","18:00:00",""
"1552391","16.1147","0.00019","12.70487","0.00014","22.6264","0.0002","90","","90","","90","","4632.42","0.09","140","0.1","140","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C208 H248 N8 O32 -","8","1","","Muriel, Bastian; Gagnebin, Alec; Waser, Jerome","Synthesis of Bicyclo[3.1.0]hexanes by (3+2) Annulation of Cyclopropenes with Aminocyclopropanes","Chemical Science","2019","","","","","10.1039/C9SC03790J","","x-ray","1.54184","CuKα","","0.0425","0.035","","","0.0891","0.0953","","","","","","1.022","","","","has coordinates","219170","2020-10-21","18:00:00",""
"1552392","6.0379","0.0003","10.4847","0.0005","16.1404","0.0008","90","","90","","90","","1021.78","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0343","0.0307","","","0.0767","0.0793","","","","","","1.021","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552393","6.9254","0.0005","15.9044","0.0011","23.161","0.0016","90","","92.348","0.001","90","","2548.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C120 H88 N24 S8 -","8","2","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0511","0.0389","","","0.098","0.1064","","","","","","1.008","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552394","14.7585","0.0013","5.6771","0.0005","12.3197","0.0011","90","","97.4501","0.0018","90","","1023.5","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0428","0.0351","","","0.0893","0.0941","","","","","","1.019","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552395","5.1488","0.0012","10.707","0.002","20.672","0.005","90","","91.856","0.004","90","","1139","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.1767","0.0784","","","0.1486","0.1882","","","","","","1.025","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552396","10.3332","0.0006","14.5631","0.0009","15.1782","0.0009","90","","90","","90","","2284.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C112 H96 O16 S8 -","8","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0395","0.0322","","","0.0876","0.0956","","","","","","1.024","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552397","15.2689","0.001","5.186","0.0003","15.3921","0.001","90","","96.058","0.001","90","","1212.01","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0523","0.0376","","","0.0965","0.1052","","","","","","1.014","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552398","5.9726","0.0003","7.5101","0.0004","24.2373","0.0013","90","","92.823","0.001","90","","1085.84","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O S -","- C13 H12 O S -","- C52 H48 O4 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0395","0.0324","","","0.0833","0.088","","","","","","1.024","","","","has coordinates,has disorder","219175","2020-10-21","18:00:00",""
"1552399","8.701","0.0006","7.6258","0.0005","20.3847","0.0014","90","","97.939","0.001","90","","1339.6","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0535","0.0381","","","0.1003","0.1092","","","","","","1.016","","","","has coordinates,has disorder","219175","2020-10-21","18:00:00",""
"1552400","11.3769","0.001","10.1584","0.0009","20.2218","0.0017","90","","91.673","0.0019","90","","2336.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C112 H96 O16 S8 -","8","2","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0604","0.0433","","","0.109","0.1183","","","","","","1.023","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552401","5.5482","0.0017","12.167","0.003","24.556","0.006","90","","90","","90","","1657.7","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","0.5","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0563","0.0441","","","0.1171","0.1238","","","","","","1.055","","","","has coordinates","219188","2020-10-21","18:00:00",""
"1552402","5.6352","0.0008","13.4281","0.0017","11.2825","0.0015","90","","93.703","0.003","90","","852","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C36 H52 N4 O4 -","2","0.5","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0445","0.0412","","","0.1226","0.126","","","","","","1.065","","","","has coordinates","219188","2020-10-21","18:00:00",""
"1552403","5.9035","0.001","8.3771","0.0016","21.98","0.004","90","","90","","90","","1087","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O -","- C11 H18 N2 O -","- C44 H72 N8 O4 -","4","1","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0278","0.0273","","","0.0754","0.0758","","","","","","1.071","","","","has coordinates","219188","2020-10-21","18:00:00",""
"1552404","5.1427","0.0006","7.2141","0.0009","27.595","0.003","90","","90","","90","","1023.8","0.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cl F3 I N O S -","- C7 H4 Cl F3 I N O S -","- C28 H16 Cl4 F12 I4 N4 O4 S4 -","4","1","","Kalim, Jorna; Duhail, Thibaut; Le, Thanh-Nghi; Vanthuyne, Nicolas; Anselmi, Elsa; Togni, Antonio; Magnier, Emmanuel","Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent","Chemical Science","2019","","","","","10.1039/C9SC04289J","","x-ray","0.71073","MoKα","","0.0328","0.0321","","","0.069","0.0692","","","","","","1.201","","","","has coordinates","219227","2020-10-21","18:00:00",""
"1552405","7.1787","0.0013","10.1369","0.0018","15.408","0.003","90","","92.647","0.003","90","","1120","0.4","101","2","101.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F6 I N O S -","- C8 H4 F6 I N O S -","- C32 H16 F24 I4 N4 O4 S4 -","4","1","","Kalim, Jorna; Duhail, Thibaut; Le, Thanh-Nghi; Vanthuyne, Nicolas; Anselmi, Elsa; Togni, Antonio; Magnier, Emmanuel","Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent","Chemical Science","2019","","","","","10.1039/C9SC04289J","","x-ray","0.71073","MoKα","","0.0276","0.022","","","0.0415","0.0433","","","","","","1.052","","","","has coordinates","219227","2020-10-21","18:00:00",""
"1552406","21.1207","0.0006","8.493","0.0002","23.5701","0.0008","90","","108.991","0.003","90","","3997.8","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Mg2 N4 -","- C42 H50 Mg2 N4 -","- C168 H200 Mg8 N16 -","4","0.5","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","0.71073","MoKα","","0.0532","0.0457","","","0.1379","0.1436","","","","","","1.066","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552407","14.551","0.003","14.651","0.002","22.814","0.004","96.351","0.003","103.923","0.005","91.039","0.005","4686.7","1.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H97 Mg2 N4 -","- C133 H97 Mg2 N4 -","- C266 H194 Mg4 N8 -","2","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1144","0.0643","","","0.1586","0.1857","","","","","","0.939","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552408","14.5468","0.0007","14.6808","0.0004","24.376","0.0007","80.2","0.002","79.333","0.003","88.952","0.003","5040.6","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C142 H106 Mg2 N4 -","- C142 H106 Mg2 N4 -","- C284 H212 Mg4 N8 -","2","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1132","0.1014","","","0.328","0.3364","","","","","","1.113","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552409","26.4392","0.0003","23.3427","0.0003","27.4336","0.0004","90","","93.4861","0.0012","90","","16899.7","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C210 H198 Mg6 N12 -","- C210 H198 Mg6 N12 -","- C840 H792 Mg24 N48 -","4","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1021","0.0831","","","0.2379","0.2503","","","","","","1.05","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552410","34.388","0.002","12.2868","0.0007","33.068","0.002","90","","104.897","0.006","90","","13502.2","1.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C176 H164 Mg4 N8 -","- C176 H164 Mg4 N8 -","- C704 H656 Mg16 N32 -","4","0.5","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.2673","0.1365","","","0.3731","0.4485","","","","","","1.26","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552411","17.141","0.0003","17.1631","0.0003","17.4199","0.0003","117.73","0.0016","94.6116","0.0013","100.436","0.0013","4380.62","0.15","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C228 H192 Mg6 N12 -","- C228 H192 Mg6 N12 -","- C228 H192 Mg6 N12 -","1","0.5","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54184","CuKα","","0.0534","0.0511","","","0.1438","0.1465","","","","","","1.02","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552412","18.2173","0.0008","30.2552","0.0011","33.8828","0.0013","90","","102.678","0.004","90","","18219.8","1.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C198 H174 Mg6 N12 -","- C198 H174 Mg6 N12 -","- C792 H696 Mg24 N48 -","4","2","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.1505","0.0894","","","0.2212","0.2648","","","","","","0.954","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552413","15.8575","0.0005","20.1901","0.0004","25.5394","0.0008","90","","98.745","0.003","90","","8081.8","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C110 H66 Mg2 N4 -","- C110 H66 Mg2 N4 -","- C440 H264 Mg8 N16 -","4","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54184","CuKα","","0.1385","0.1192","","","0.331","0.3459","","","","","","1.027","","","","has coordinates,has disorder","219228","2020-10-21","18:00:00",""
"1552414","18.1978","0.00019","33.3681","0.0004","30.8873","0.0004","90","","90.8983","0.001","90","","18753.3","0.4","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C240 H216 Mg6 N12 -","- C240 H216 Mg6 N12 -","- C960 H864 Mg24 N48 -","4","1","","Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas","Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium","Chemical Science","2019","","","","","10.1039/C9SC03857D","","","1.54187","CuKα","","0.0596","0.0469","","","0.1224","0.1313","","","","","","1.017","","","","has coordinates","219228","2020-10-21","18:00:00",""
"1552415","12.50104","0.00004","9.28018","0.00003","30.05829","0.0001","90","","90.652","0.0003","90","","3486.89","0.02","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H23 N2 O2 P Se2 -","- C14 H23 N2 O2 P Se2 -","- C112 H184 N16 O16 P8 Se16 -","8","4","","Newton, Turner; Pluth, Michael D.","Development of a Hydrolysis-Based Small-Molecule Hydrogen Selenide (H2Se) Donor","Chemical Science","2019","","","","","10.1039/C9SC04616J","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.063","0.0632","","","","","","1.036","","","","has coordinates","219302","2020-10-21","18:00:00",""
"1552416","17.83","0.02","10.25","0.013","16.89","0.02","90","","90","","90","","3087","6","180","","180","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C29 H36 Cl F6 Ir O P2 -","- C29 H36 Cl F6 Ir O P2 -","- C116 H144 Cl4 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0775","0.048","","","0.1028","0.1161","","","","","","0.928","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552417","12.171","0.003","12.37","0.003","13.038","0.003","101.716","0.003","97.857","0.003","96.454","0.003","1884","0.8","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H41 Cl2 F6 Ir O P2 -","- C38 H41 Cl2 F6 Ir O P2 -","- C76 H82 Cl4 F12 Ir2 O2 P4 -","2","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0742","0.0588","","","0.1481","0.158","","","","","","1.021","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552418","12.9516","0.0003","13.5623","0.0004","21.4352","0.0006","90","","93.129","0.002","90","","3759.55","0.18","297","","297.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl3 F6 Ir O P2 -","- C34 H40 Cl3 F6 Ir O P2 -","- C136 H160 Cl12 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.1353","0.0882","","","0.2075","0.2485","","","","","","1.065","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552419","8.8879","0.0008","37.424","0.003","10.5294","0.0008","90","","94.48","0.006","90","","3491.6","0.5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Cl F6 Ir O P2 -","- C37 H40 Cl F6 Ir O P2 -","- C148 H160 Cl4 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.1817","0.1047","","","0.2362","0.2856","","","","","","1.038","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552420","10.9699","0.0003","16.9662","0.0004","36.5183","0.0008","90","","90","","90","","6796.7","0.3","296","","297","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H39 F6 Ir O P2 -","- C37 H39 F6 Ir O P2 -","- C296 H312 F48 Ir8 O8 P16 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.055","0.0428","","","0.1022","0.1096","","","","","","1.019","","","","has coordinates,has disorder","219338","2020-10-21","18:00:00",""
"1552421","8.7814","0.0005","11.3836","0.0005","17.6844","0.0007","78.913","0.002","80.872","0.003","89.868","0.003","1712.11","0.14","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H39 F6 Ir O P2 -","- C37 H39 F6 Ir O P2 -","- C74 H78 F12 Ir2 O2 P4 -","2","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0722","0.0463","","","0.1111","0.1174","","","","","","1.028","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552422","11.1444","0.0003","24.2099","0.0006","39.1676","0.001","90","","90","","90","","10567.6","0.5","296","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H61 B Ir O P -","- C65 H61 B Ir O P -","- C520 H488 B8 Ir8 O8 P8 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0454","0.0428","","","0.1052","0.1073","","","","","","1.068","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552423","8.813","0.003","11.485","0.003","16.101","0.005","83.036","0.005","83.576","0.005","89.718","0.005","1607.5","0.9","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 F6 Ir O3 P2 -","- C31 H39 F6 Ir O3 P2 -","- C62 H78 F12 Ir2 O6 P4 -","2","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","0.71073","MoKα","","0.0793","0.0578","","","0.1407","0.1541","","","","","","0.989","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552424","15.264","0.006","16.108","0.007","18.77","0.007","90","","105.492","0.016","90","","4447","3","295","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 B Ir O P -","- C53 H55 B Ir O P -","- C212 H220 B4 Ir4 O4 P4 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0352","0.0304","","","0.0735","0.0768","","","","","","1.008","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552425","12.8922","0.0007","14.2764","0.0008","20.2321","0.0011","90","","101.528","0.004","90","","3648.7","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 F6 Ir O P2 -","- C37 H51 F6 Ir O P2 -","- C148 H204 F24 Ir4 O4 P8 -","4","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0477","0.0415","","","0.1046","0.109","","","","","","1.053","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552426","7.727","0.004","14.153","0.007","15.295","0.007","109.638","0.012","102.453","0.014","103.402","0.013","1451.7","1.3","277","2","277","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 N4 S2 Si2 -","- C66 H64 N4 S2 Si2 -","- C66 H64 N4 S2 Si2 -","1","0.5","","Ma , Yudong; Zhou, Yecheng; Jin, Jianqun; Wang , Wei; Liu, Xitong; Xu, Haixiao; Zhang, Jing; Huang, Wei","Pentacene derivative/DTTCNQ cocrystals: Alkyl-confined mixed heterojunctions with molecular alignment and transport property tuning","Chemical Science","2019","","","","","10.1039/C9SC04807C","","","0.71073","MoKα","","0.1261","0.099","","","0.287","0.3132","","","","","","1.079","","","","has coordinates,has disorder","219339","2020-10-21","18:00:00",""
"1552427","15.42","0.002","7.71","0.0011","21.64","0.003","90","","104.049","0.004","90","","2495.8","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H54 N4 S2 Si2 -","- C58 H54 N4 S2 Si2 -","- C116 H108 N8 S4 Si4 -","2","0.5","","Ma , Yudong; Zhou, Yecheng; Jin, Jianqun; Wang , Wei; Liu, Xitong; Xu, Haixiao; Zhang, Jing; Huang, Wei","Pentacene derivative/DTTCNQ cocrystals: Alkyl-confined mixed heterojunctions with molecular alignment and transport property tuning","Chemical Science","2019","","","","","10.1039/C9SC04807C","","","0.71073","MoKα","","0.1468","0.1044","","","0.2377","0.2558","","","","","","1.103","","","","has coordinates,has disorder","219339","2020-10-21","18:00:00",""
"1552428","9.3628","0.0006","9.3628","0.0003","4.2396","","90","","90","","120","","321.86","0.02","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Ca Pd2 -","- Al3 Ca Pd2 -","- Al9 Ca3 Pd6 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0098","0.0069","","","0.0186","0.02","","","","0.83","0.83","0.84","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552429","9.3353","0.0007","9.3353","0.0007","4.2266","0.0003","90","","90","","120","","318.99","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al9 Ca1.98 Pd6 Yb1.02 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0208","0.0165","","","0.0367","0.0376","","","","1.44","1.44","1.35","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552430","9.2802","0.0006","9.2802","0.0006","4.1956","0.0003","90","","90","","120","","312.92","0.04","140","","140","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0177","0.0166","","","0.0422","0.0427","","","","1.81","1.81","1.81","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552431","9.311","0.0008","9.311","0.0008","4.2108","0.0003","90","","90","","120","","316.15","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.315667 Pd2 Yb0.684333 -","- Al9 Ca0.947 Pd6 Yb2.053 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0193","0.016","","","0.0359","0.0366","","","","1.41","1.41","1.35","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552432","9.3098","0.0007","9.3098","0.0007","4.214","0.0003","90","","90","","120","","316.3","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al9 Ca0.948 Pd6 Yb2.052 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0124","0.0084","","","0.0206","0.0223","","","","0.84","0.84","0.85","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552433","9.3121","0.0007","9.3121","0.0007","4.2135","0.0003","90","","90","","120","","316.42","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.314 Pd2 Yb0.686 -","- Al3 Ca0.314667 Pd2 Yb0.685333 -","- Al9 Ca0.944 Pd6 Yb2.056 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0126","0.0109","","","0.0258","0.0266","","","","1.07","1.07","1.06","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552434","9.2802","0.0006","9.2802","0.0006","4.2222","0.0003","90","","90","","120","","314.91","0.04","90","","90","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0169","0.0157","","","0.036","0.0366","","","","1.53","1.53","1.54","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552435","9.3321","0.0007","9.3321","0.0007","4.2276","0.0003","90","","90","","120","","318.85","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.656 Pd2 Yb0.344 -","- Al3 Ca0.656333 Pd2 Yb0.343667 -","- Al9 Ca1.969 Pd6 Yb1.031 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0127","0.0096","","","0.0221","0.0234","","","","0.91","0.91","0.9","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552436","9.3376","0.0007","9.3376","0.0007","4.2276","0.0003","90","","90","","120","","319.22","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.658 Pd2 Yb0.342 -","- Al3 Ca0.658267 Pd2 Yb0.341733 -","- Al9 Ca1.9748 Pd6 Yb1.0252 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0111","0.0088","","","0.0222","0.0234","","","","0.92","0.92","0.92","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552437","9.333","0.0008","9.333","0.0008","4.2276","0.0003","90","","90","","120","","318.91","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.655 Pd2 Yb0.345 -","- Al3 Ca0.655333 Pd2 Yb0.344667 -","- Al9 Ca1.966 Pd6 Yb1.034 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0141","0.0097","","","0.0231","0.0247","","","","0.93","0.93","0.9","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552438","9.3122","0.0012","9.3122","0.0012","4.209","0.0005","90","","90","","120","","316.09","0.07","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al9 Ca0.945 Pd6 Yb2.055 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0129","0.0101","","","0.0221","0.0232","","","","0.89","0.89","0.88","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552439","9.2956","0.0007","9.2956","0.0007","4.2016","0.0003","90","","90","","120","","314.41","0.04","300","","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey","Chemical Science","2019","","","","","10.1039/C9SC04315B","","x-ray","0.71073","MoKα","","0.0176","0.0166","","","0.0383","0.0388","","","","1.62","1.62","1.61","","","","has coordinates","219340","2020-10-21","18:00:00",""
"1552440","9.4139","0.0001","9.4139","0.0001","5.1807","0.0001","90","","90","","120","","397.611","0.01","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- I6 Li2 Mg2 O18 -","- I6 Li2 Mg2 O18 -","- I6 Li2 Mg2 O18 -","1","0.166667","","Chen, Jin; Hu, Chun-Li; Mao, Fei Fei; Zhang, Xiao-Han; Yang, Bing-Ping; Mao, Jiang-Gao","LiMg(IO3)3: An excellent SHG material designed by single-site aliovalent substitution","Chemical Science","2019","","","","","10.1039/C9SC04832D","","","0.71073","MoKα","","0.0133","0.0127","","","0.0298","0.0301","","","","","","1.108","","","","has coordinates","219375","2020-10-21","18:00:00",""
"1552441","21.083","0.003","7.043","0.0009","23.465","0.003","90","","90","","90","","3484.3","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","TPHAP","","- C22 H13 N9 -","- C22 H13 N9 -","- C176 H104 N72 -","8","1","","Kim, Jaejun; Ohtsu, Hiroyoshi; Den, Taizen; Deekamwong, Krittanun; Muneta, Iriya; Kawano, Masaki","Control of anisotropy of redox-active molecule-based film leads to non-volatile resistive switching memory","Chemical Science","2019","","","","","10.1039/C9SC04213J","","x-ray","0.71073","MoKα","","0.1495","0.0666","","","0.1379","0.1886","","","","","","1.006","","","","has coordinates","219405","2020-10-21","18:00:00",""
"1552442","10.38","0.002","12.351","0.003","13.352","0.003","98.84","0.03","91.06","0.03","106.73","0.03","1616.3","0.7","100","","100.03","","","","","","","","","5","P -1","-P 1","2","","28a","","- C34 H44 N6 O3 Si -","- C34 H44 N6 O3 Si -","- C68 H88 N12 O6 Si2 -","2","1","","Lategahn, Jonas; Keul, Marina; Klövekorn, Philip; Tumbrink, Hannah L.; Niggenaber, Janina; Müller, Matthias P.; Hodson, Luke; Flaßhoff, Maren; Hardick, Julia; Grabe, Tobias; Engel, Julian; Schultz-Fademrecht, Carsten; Baumann, Matthias; Ketzer, Julia; Mühlenberg, Thomas; Hiller, Wolf; Günther, Georgia; Unger, Anke; Müller, Heiko; Heimsoeth, Alena; Golz, Christopher; Blank-Landeshammer, Bernhard; Kollipara, Laxmikanth; Zahedi, René P.; Strohmann, Carsten; Hengstler, Jan G.; van Otterlo, Willem A. L.; Bauer, Sebastian; Rauh, Daniel","Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S","Chemical Science","2019","","","","","10.1039/C9SC03445E","","","0.71073","MoKα","","0.107","0.0636","","","0.1444","0.1678","","","","","","1.028","","","","has coordinates,has disorder","219406","2020-10-21","18:00:00",""
"1552443","3.772","0.003","13.655","0.012","11.517","0.011","90","","92.726","0.014","90","","592.5","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cu O4 -","- C14 H10 Cu O4 -","- C28 H20 Cu2 O8 -","2","0.5","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0735","0.0506","","","0.123","0.138","","","","","","1.06","","","","has coordinates","219408","2020-10-21","18:00:00",""
"1552444","9.1448","0.0004","13.4418","0.0007","14.6873","0.0007","110.896","0.005","92.6","0.004","99.526","0.004","1652.69","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl Cu N2 O2.5 -","- C19 H14 Cl Cu N2 O2.5 -","- C76 H56 Cl4 Cu4 N8 O10 -","4","2","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0652","0.0453","","","0.1091","0.1252","","","","","","1.061","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1552445","9.547","0.003","12.575","0.004","14.02","0.004","90","","94.564","0.004","90","","1677.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl Cu N2 O3 -","- C17 H15 Cl Cu N2 O3 -","- C68 H60 Cl4 Cu4 N8 O12 -","4","1","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0284","0.0241","","","0.0668","0.07","","","","","","1.024","","","","has coordinates","219408","2020-10-21","18:00:00",""
"1552446","8.0152","0.0011","12.4307","0.0017","14.712","0.002","90.432","0.002","95.729","0.002","102.287","0.002","1424.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cu2 N2 O6 -","- C34 H26 Cu2 N2 O6 -","- C68 H52 Cu4 N4 O12 -","2","1","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0343","0.0285","","","0.0805","0.0852","","","","","","1.054","","","","has coordinates","219408","2020-10-21","18:00:00",""
"1552447","10.3786","0.0002","15.7209","0.0003","19.3197","0.0003","90","","100.668","0.0018","90","","3097.74","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Br N2 -","- C34 H43 Br N2 -","- C136 H172 Br4 N8 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","","0.71073","MoKα","","0.051","0.0357","","","0.0815","0.0874","","","","","","1.043","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552448","10.5947","0.0008","16.2615","0.0008","17.8991","0.0013","90","","97.414","0.007","90","","3058","0.4","99.9","0.3","99.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 N2 P3 -","- C33 H39 N2 P3 -","- C132 H156 N8 P12 -","4","0.5","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.061","0.0437","","","0.1184","0.1298","","","","","","1.068","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552449","11.1499","0.0005","17.6614","0.0008","19.2232","0.0006","90","","90","","90","","3785.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N2 P3 -","- C41 H49 N2 P3 -","- C164 H196 N8 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.0566","0.0509","","","0.1214","0.1253","","","","","","1.037","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552450","10.9413","0.0002","23.5902","0.0004","16.2953","0.0003","90","","96.991","0.002","90","","4174.67","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 Fe N2 O4 P3 -","- C44 H47 Fe N2 O4 P3 -","- C176 H188 Fe4 N8 O16 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0482","0.0344","","","0.0756","0.0823","","","","","","1.044","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552451","10.83254","0.00014","24.9423","0.0003","16.03521","0.00018","90","","96.0125","0.0011","90","","4308.7","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H49 Fe N2 O4 P3 -","- C45 H49 Fe N2 O4 P3 -","- C180 H196 Fe4 N8 O16 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0386","0.0311","","","0.0789","0.0827","","","","","","1.039","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552452","12.086","0.0002","13.1486","0.0002","16.935","0.0002","106.161","0.001","98.487","0.001","100.539","0.001","2484.48","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H56 N3 O5 P3 W -","- C50.5 H56 N3 O5 P3 W -","- C101 H112 N6 O10 P6 W2 -","2","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.1108","0.112","","","","","","1.078","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552453","10.855","0.0003","15.5962","0.0003","19.1059","0.0004","90","","102.358","0.002","90","","3159.62","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 N2 P3 -","- C34 H41 N2 P3 -","- C136 H164 N8 P12 -","4","0.5","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0521","0.0388","","","0.097","0.1052","","","","","","1.07","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552454","12.6802","0.0001","13.7259","0.0001","23.021","0.0002","93.562","0.001","101.027","0.001","98.039","0.001","3877.8","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Mo N2 O5 P3 -","- C38 H39 Mo N2 O5 P3 -","- C152 H156 Mo4 N8 O20 P12 -","4","2","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","0.71073","MoKα","","0.0356","0.0279","","","0.0619","0.0652","","","","","","1.055","","","","has coordinates","219431","2020-10-21","18:00:00",""
"1552455","6.2499","0.0002","9.4654","0.0003","19.2084","0.0005","78.46","0.003","84.048","0.003","78.306","0.003","1087.88","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 O5 S2 Si2 -","- C16 H28 O5 S2 Si2 -","- C32 H56 O10 S4 Si4 -","2","1","","Guo, Mengdong; Huang, Yue; Cao, Jinfeng; Sun, Guibao; Zhao, Xia; Zhang, Jie; Feng, Shengyu","Recyclable Sulfone-Containing Polymers via Ring-Opening Polymerization of Macroheterocyclic Siloxane Monomers: Synthesis, Properties and Recyclability","Polymer Chemistry","2019","","","","","10.1039/C9PY01363F","","x-ray","1.54184","CuKα","","0.0772","0.0613","","","0.1863","0.2026","","","","","","1.185","","","","has coordinates","219450","2020-10-21","18:00:00",""
"1552459","8.408","0.0003","8.7414","0.0002","24.3551","0.0007","89.776","0.002","85.729","0.003","61.439","0.003","1566.82","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N5 P -","- C15 H18 N5 P -","- C60 H72 N20 P4 -","4","2","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0332","0.0325","","","0.0854","0.0859","","","","","","1.054","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552460","11.06652","0.00011","23.601","0.0003","10.85205","0.00011","90","","99.7411","0.001","90","","2793.48","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 N P3 -","- C29 H48 N P3 -","- C116 H192 N4 P12 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.03","0.0277","","","0.0673","0.0688","","","","","","1.039","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552461","10.9026","0.0004","12.5147","0.0003","14.0376","0.0004","74.779","0.003","67.319","0.003","84.62","0.002","1705.16","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 F3 N O3 P3 S -","- C31 H51 F3 N O3 P3 S -","- C62 H102 F6 N2 O6 P6 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0391","0.0365","","","0.0978","0.1003","","","","","","1.018","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552462","7.03718","0.00011","13.3782","0.0002","8.85308","0.00016","90","","98.7503","0.0016","90","","823.77","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H18 N5 P S -","- C17 H18 N5 P S -","- C34 H36 N10 P2 S2 -","2","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0304","0.0284","","","0.0732","0.0748","","","","","","1.111","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552463","7.9088","0.0003","11.2925","0.0004","14.4882","0.0006","73.202","0.003","86.167","0.003","72.923","0.003","1183.89","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H40 N P3 -","- C21 H40 N P3 -","- C42 H80 N2 P6 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0268","0.0265","","","0.0689","0.0692","","","","","","1.057","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552464","12.1473","0.0003","15.0565","0.0004","20.4248","0.0007","90","","102.677","0.003","90","","3644.55","0.19","99.97","0.13","99.97","0.13","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H102 Ag2 F6 N4 O6 P6 S2 -","- C64 H102 Ag2 F6 N4 O6 P6 S2 -","- C128 H204 Ag4 F12 N8 O12 P12 S4 -","2","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0466","0.0393","","","0.1003","0.1065","","","","","","1.026","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552465","12.3686","0.0003","13.7415","0.0003","13.9572","0.0003","113.879","0.002","109.229","0.002","93.1122","0.0018","1999.2","0.09","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C64 H104 Cl8 Cu2 F6 N2 O6 P6 S2 -","- C64 H104 Cl8 Cu2 F6 N2 O6 P6 S2 -","- C64 H104 Cl8 Cu2 F6 N2 O6 P6 S2 -","1","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0343","0.0323","","","0.082","0.0835","","","","","","1.063","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552466","8.88106","0.00006","19.32439","0.00015","14.68865","0.00011","90","","92.3033","0.0007","90","","2518.85","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N5 P5 -","- C25 H20 N5 P5 -","- C100 H80 N20 P20 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0265","0.0258","","","0.0671","0.0677","","","","","","1.038","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552467","10.85215","0.00011","17.65905","0.00019","19.63512","0.00016","102.476","0.0008","101.644","0.0008","98.8895","0.0009","3520.32","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C65.93 H113.69 Br2 Cu2 N2 O0.82 P6 -","- C65.923 H113.692 Br2 Cu2 N2 O0.827 P6 -","- C131.846 H227.384 Br4 Cu4 N4 O1.654 P12 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0399","0.0353","","","0.0933","0.097","","","","","","1.025","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552468","10.16325","0.0001","25.899","0.0002","26.5556","0.0003","90","","99.3487","0.001","90","","6897.07","0.12","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H108 Cu F3 N2 O3 P6 S -","- C64 H108 Cu F3 N2 O3 P6 S -","- C256 H432 Cu4 F12 N8 O12 P24 S4 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0546","0.0529","","","0.13","0.1311","","","","","","1.122","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552469","10.2485","0.0003","12.3713","0.0003","15.6969","0.0004","112.462","0.002","90.355","0.002","99.439","0.002","1809.1","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H21 Cl N5 P5 S5 -","- C35.5 H21 Cl N5 P5 S5 -","- C71 H42 Cl2 N10 P10 S10 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.035","0.0333","","","0.0869","0.0883","","","","","","1.025","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552470","13.8365","0.0001","21.99929","0.00012","13.99782","0.0001","90","","109.465","0.0008","90","","4017.32","0.05","99.97","0.12","99.97","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 F6 N O6 P3 S2 -","- C33 H54 F6 N O6 P3 S2 -","- C132 H216 F24 N4 O24 P12 S8 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0832","0.0838","","","","","","1.027","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552471","7.2241","0.0005","9.0577","0.0007","10.9162","0.0008","95.055","0.003","99.126","0.003","109.45","0.003","657.34","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 F3 N2 O3 P S -","- C11 H8 F3 N2 O3 P S -","- C22 H16 F6 N4 O6 P2 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","","0.71073","MoKα","","0.0406","0.034","","","0.0875","0.0915","","","","","","1.044","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552472","26.5691","0.0004","10.80809","0.00017","5.9932","0.0001","90","","90","","90","","1721.01","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N P3 -","- C19 H18 N P3 -","- C76 H72 N4 P12 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0479","0.0479","","","0.1291","0.1291","","","","","","1.116","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552473","9.5582","0.0007","9.6936","0.0008","11.8527","0.0008","87.895","0.006","80.107","0.006","86.923","0.006","1079.88","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 N2 O6 P4 S2 -","- C38 H58 F6 N2 O6 P4 S2 -","- C38 H58 F6 N2 O6 P4 S2 -","1","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.081","0.07","","","0.1808","0.1893","","","","","","0.998","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552474","12.4338","0.0004","12.5077","0.0003","13.0479","0.0004","114.387","0.003","96.369","0.002","116.073","0.003","1550.4","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 F3 O3 P3 S -","- C27 H50 F3 O3 P3 S -","- C54 H100 F6 O6 P6 S2 -","2","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0312","0.0281","","","0.0704","0.0729","","","","","","1.035","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552475","16.0052","0.0002","17.2802","0.0002","23.3958","0.0003","104.863","0.0012","100.601","0.0012","90.2605","0.0012","6138.29","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 N P3 S -","- C31 H48 N P3 S -","- C248 H384 N8 P24 S8 -","8","4","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0421","0.0336","","","0.0804","0.0858","","","","","","1.012","","","","has coordinates,has disorder","219502","2020-10-21","18:00:00",""
"1552476","21.8614","0.0006","16.4069","0.0004","26.8718","0.0006","90","","115.147","0.003","90","","8724.8","0.4","100","0.11","100","0.11","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 Au2 F6 N2 O6 P6 S2 -","- C60 H96 Au2 F6 N2 O6 P6 S2 -","- C240 H384 Au8 F24 N8 O24 P24 S8 -","4","0.5","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0913","0.0926","","","","","","1.104","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552478","9.5647","0.00006","11.59555","0.00008","15.6161","0.00011","90","","90","","90","","1731.95","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3 <i>Os</i>‒<i>Os</i>)","","- C12 H5 N O10 Os3 -","- C12 H5 N O10 Os3 -","- C48 H20 N4 O40 Os12 -","4","1","WM4114","Powell, Cynthia B.; Powell, Gregory L.; Archambeau, Ashley K.; Wilson, Kylie M.","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3<i>Os</i>‒<i>Os</i>)","IUCrData","2019","4","10","x191386","","10.1107/S2414314619013865","","x-ray","1.54184","CuKα","","0.0153","0.0152","","","0.0368","0.0368","","","","","","1.06","","","","has coordinates,has Fobs","225387","2020-10-21","18:00:00",""
"1552479","13.595","0.003","14.337","0.003","10.958","0.002","90","","92.23","0.03","90","","2134.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihydroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","","- C23 H27 Cl N2 O2 -","- C23 H27 Cl N2 O2 -","- C92 H108 Cl4 N8 O8 -","4","1","","Okmanov, R. Ya.; Tukhtaev, D. B.; Saidov, A. Sh.; Tashkhodjaev, B.","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihidroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","IUCrData","2019","4","10","x191390","","10.1107/S2414314619013907","","x-ray","1.54184","CuKα","","0.0785","0.0495","","","0.1231","0.1422","","","","","","1.012","","","","has coordinates,has Fobs","219514","2020-10-21","18:00:00",""
"1552480","8.7319","0.0004","11.3091","0.0005","16.122","0.0007","69.599","0.003","77.168","0.004","81.042","0.004","1449.57","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","2","SJ4209","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","IUCrData","2019","4","10","x191369","","10.1107/S2414314619013695","","","0.71073","MoKα","","0.0633","0.0379","","","0.0868","0.0914","","","","","","0.848","","","","has coordinates,has Fobs","219515","2020-10-21","18:00:00",""
"1552481","11.9894","0.0002","15.9893","0.0004","16.4781","0.0003","104.618","0.002","107.77","0.002","111.205","0.002","2559.7","0.13","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 N2 O4 -","- C63 H56 N2 O4 -","- C126 H112 N4 O8 -","2","1","","Qiu, Changkun; Gong, Yanjun; Guo, Yongxian; Zhang, Chuang; Wang, Peilong; Zhao, Jincai; Che, Yanke","Sensitive Fluorescence Detection of Phthalates by Suppressing the Intramolecular Motion of Nitrophenyl Groups in Porous Crystalline Ribbons.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b04277","","x-ray","0.71073","MoKα","","0.085","0.0584","","","0.1348","0.1483","","","","","","1.018","","","","has coordinates,has disorder","219546","2020-10-21","18:00:00",""
"1552482","7.144","0.0002","17.6831","0.0005","18.5462","0.0005","90","","90","","90","","2342.91","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","1","","Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo","Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L.","Journal of agricultural and food chemistry","2019","67","43","11994","12001","10.1021/acs.jafc.9b05827","","","1.54184","CuKα","","0.0472","0.0432","","","0.1162","0.119","","","","","","1.052","","","","has coordinates,has disorder","223213","2020-10-21","18:00:00",""
"1552483","25.1091","0.0019","7.6592","0.0005","17.011","0.0012","90","","103.07","0.008","90","","3186.7","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C144 H152 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0487","0.0397","","","0.0879","0.0945","","","","","","1.096","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552484","7.7965","0.0009","8.649","0.0009","10.9982","0.0011","88.093","0.009","83.682","0.009","89.913","0.009","736.72","0.14","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0863","0.0906","","","","","","1.027","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552485","14.0408","0.001","15.4293","0.0013","16.5882","0.0013","90","","93.136","0.006","90","","3588.3","0.5","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C160 H184 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0625","0.0458","","","0.1062","0.1168","","","","","","1.04","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552486","7.2225","0.0005","9.7431","0.0007","13.8099","0.0007","72.442","0.005","88.586","0.005","80.117","0.006","912.39","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O3 -","- C21 H15 Cl2 N3 O3 -","- C42 H30 Cl4 N6 O6 -","2","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0486","0.0385","","","0.0935","0.1014","","","","","","1.038","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552487","17.147","0.0003","12.1241","0.0002","21.6325","0.0004","90","","97.3465","0.0007","90","","4460.3","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,6-difluoro-4-({2-fluoro-6-({methyl(isopropyl)amino}methyl)benzyl}amino)- N-(1,3-thiazol-4-yl)benzenesulfonamide","","- C21 H23 F3 N4 O2 S2 -","- C21 H23 F3 N4 O2 S2 -","- C168 H184 F24 N32 O16 S16 -","8","2","","Focken, Thilo; Burford, Kristen; Grimwood, Michael E.; Zenova, Alla; Andrez, Jean-Christophe; Gong, Wei; Wilson, Michael; Taron, Matt; Decker, Shannon; Lofstrand, Verner; Chowdhury, Sultan; Shuart, Noah; Lin, Sophia; Goodchild, Samuel J.; Young, Clint; Soriano, Maegan; Tari, Parisa K.; Waldbrook, Matthew; Nelkenbrecher, Karen; Kwan, Rainbow; Lindgren, Andrea; de Boer, Gina; Lee, Stephanie; Sojo, Luis; DeVita, Robert J.; Cohen, Charles J.; Wesolowski, Steven S.; Johnson, Jr, J P; Dehnhardt, Christoph M.; Empfield, James R.","Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective Na<sub>V</sub>1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01032","","","1.54178","CuKα","","0.0324","0.0306","","","0.0826","0.0845","","","","","","1.023","","","","has coordinates,has disorder","219591","2020-10-21","18:00:00",""
"1552488","12.3726","0.0007","11.22","0.0006","10.9487","0.0006","90","","99.0665","0.0008","90","","1500.92","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","","Shao, Xuwei; AbdelKhalek, Ahmed; Abutaleb, Nader S.; Velagapudi, Uday Kiran; Yoganathan, Sabesan; Seleem, Mohamed N.; Talele, Tanaji T.","Chemical Space Exploration around Thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one Scaffold Led to a Novel Class of Highly Active <i>Clostridium difficile</i> Inhibitors.","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01198","","","0.71073","MoKα","","0.0388","0.0345","","","0.0941","0.0971","","","","","","1.055","","","","has coordinates","219592","2020-10-21","18:00:00",""
"1552489","5.0591","0.0001","10.9615","0.0002","13.2","0.0003","103.037","0.0011","90.846","0.0009","90.3108","0.001","713.03","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H30 F3 N7 O9 -","- C26 H30 F3 N7 O9 -","- C26 H30 F3 N7 O9 -","1","1","","Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.","High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01238","","","1.54178","CuKα","","0.0276","0.0273","","","0.0731","0.0734","","","","","","1.025","","","","has coordinates,has disorder","219593","2020-10-21","18:00:00",""
"1552490","5.7618","0.0001","19.4824","0.0004","11.8204","0.0002","90","","90.0232","0.0011","90","","1326.88","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","2","","Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.","High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01238","","","1.54178","CuKα","","0.0258","0.0256","","","0.0636","0.0638","","","","","","1.058","","","","has coordinates","219594","2020-10-21","18:00:00",""
"1552491","5.7488","0.0001","9.3963","0.0002","27.2172","0.0007","90","","90","","90","","1470.2","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O5 -","- C14.003 H22.006 O5.001 -","- C56.012 H88.024 O20.004 -","4","1","","Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.","High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01238","","","1.54178","CuKα","","0.0402","0.0396","","","0.106","0.1066","","","","","","1.085","","","","has coordinates,has disorder","219595","2020-10-21","18:00:00",""
"1552492","8.9167","0.0007","11.8688","0.0012","14.75","0.0015","68.987","0.006","73.43","0.007","77.232","0.007","1384.3","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H33 F3 N O6.5 -","- C28.5 H33 F3 N O6.5 -","- C57 H66 F6 N2 O13 -","2","2","","Tshitenge, Dieudonné Tshitenge; Bruhn, Torsten; Feineis, Doris; Schmidt, David; Mudogo, Virima; Kaiser, Marcel; Brun, Reto; Würthner, Frank; Awale, Suresh; Bringmann, Gerhard","Ealamines A-H, a Series of Naphthylisoquinolines with the Rare 7,8'-Coupling Site, from the Congolese Liana <i>Ancistrocladus ealaensis</i>, Targeting Pancreatic Cancer Cells.","Journal of natural products","2019","","","","","10.1021/acs.jnatprod.9b00755","","","1.54178","CuKα","","0.0278","0.0277","","","0.0744","0.0745","","","","","","1.051","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1552493","12.2038","0.0002","22.0069","0.0005","10.8009","0.0002","90","","94.581","0.002","90","","2891.51","0.1","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Eu N4 O10 -","- C28 H28 Eu N4 O10 -","- C112 H112 Eu4 N16 O40 -","4","1","","Hou, Sheng-Li; Dong, Jie; Tang, Meng-Hua; Jiang, Xiao-Lei; Jiao, Zhuo-Hao; Zhao, Bin","Triple-Interpenetrated Lanthanide-Organic Framework as Dual Wave Bands Self-Calibrated pH Luminescent Probe.","Analytical chemistry","2019","91","8","5455","5460","10.1021/acs.analchem.9b00848","","x-ray","0.71073","MoKα","","0.0427","0.0386","","","0.1008","0.1042","","","","","","1.054","","","","has coordinates","220307","2020-10-21","18:00:00",""
"1552494","10.2938","0.0017","11.2225","0.0018","12.0368","0.0019","87.117","0.003","72.856","0.003","73.37","0.003","1272.3","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 I N2 O2 -","- C27 H35 I N2 O2 -","- C54 H70 I2 N4 O4 -","2","1","","Li, Jin; Yin, Xinchi; Li, Bin; Li, Xiaokang; Pan, Yuanjiang; Li, Jian; Guo, Yuan","Spiropyran in Situ Switching: A Real-Time Fluorescence Strategy for Tracking DNA G-Quadruplexes in Live Cells.","Analytical chemistry","2019","91","8","5354","5361","10.1021/acs.analchem.9b00436","","","0.71073","MoKα","","0.0636","0.0441","","","0.1186","0.1318","","","","","","1.019","","","","has coordinates","220308","2020-10-21","18:00:00",""
"1552495","8.299","0.003","11.341","0.004","13.58","0.005","102.86","0.005","90.495","0.006","100.374","0.006","1224.1","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H47 I3 N2 O10 -","- C50 H47 I3 N2 O10 -","- C50 H47 I3 N2 O10 -","1","0.5","","Li, Jin; Yin, Xinchi; Li, Bin; Li, Xiaokang; Pan, Yuanjiang; Li, Jian; Guo, Yuan","Spiropyran in Situ Switching: A Real-Time Fluorescence Strategy for Tracking DNA G-Quadruplexes in Live Cells.","Analytical chemistry","2019","91","8","5354","5361","10.1021/acs.analchem.9b00436","","","0.71073","MoKα","","0.0817","0.0491","","","0.1249","0.1458","","","","","","0.959","","","","has coordinates,has disorder","220309","2020-10-21","18:00:00",""
"1552496","29.078","0.006","22.581","0.005","30.471","0.006","90","","90","","90","","20008","7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H24 In N2 O8 -","- C44 H24 In N2 O8 -","- C352 H192 In8 N16 O64 -","8","1","","Jiang, Xiao-Lei; Hou, Sheng-Li; Jiao, Zhuo-Hao; Zhao, Bin","Luminescent Detection of Colchicine by a Unique Indium-Organic Framework in Water with High Sensitivity.","Analytical chemistry","2019","91","15","9754","9759","10.1021/acs.analchem.9b01379","","","0.71073","MoKα","","0.1324","0.0989","","","0.2676","0.2998","","","","","","1.033","","","","has coordinates","220310","2020-10-21","18:00:00",""
"1552497","5.9545","0.0001","4.9627","0.0001","25.4669","0.0007","90","","91.886","0.002","90","","752.15","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 B N3 O3 -","- C16 H16 B N3 O3 -","- C32 H32 B2 N6 O6 -","2","1","","Gu, Han; Ghosh, Saptarshi; Staples, Richard J.; Bane, Susan L.","β-Hydroxy-Stabilized Boron-Nitrogen Heterocycles Enable Rapid and Efficient C-Terminal Protein Modification.","Bioconjugate chemistry","2019","30","10","2604","2613","10.1021/acs.bioconjchem.9b00534","","","1.54178","CuKα","","0.0569","0.0433","","","0.0952","0.1021","","","","","","1.04","","","","has coordinates","220329","2020-10-21","18:00:00",""
"1552498","9.3691","0.0001","7.7317","0.0001","23.2871","0.0003","90","","101.26","0.001","90","","1654.43","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 B N3 O3 -","- C18 H20 B N3 O3 -","- C72 H80 B4 N12 O12 -","4","1","","Gu, Han; Ghosh, Saptarshi; Staples, Richard J.; Bane, Susan L.","β-Hydroxy-Stabilized Boron-Nitrogen Heterocycles Enable Rapid and Efficient C-Terminal Protein Modification.","Bioconjugate chemistry","2019","30","10","2604","2613","10.1021/acs.bioconjchem.9b00534","","","1.54178","CuKα","","0.0412","0.035","","","0.0881","0.0932","","","","","","1.033","","","","has coordinates","220329","2020-10-21","18:00:00",""
"1552499","11.2033","0.0001","8.9094","0.0001","16.9484","0.0002","90","","92.877","0.001","90","","1689.57","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 B N3 O4 -","- C18 H16 B N3 O4 -","- C72 H64 B4 N12 O16 -","4","2","","Gu, Han; Ghosh, Saptarshi; Staples, Richard J.; Bane, Susan L.","β-Hydroxy-Stabilized Boron-Nitrogen Heterocycles Enable Rapid and Efficient C-Terminal Protein Modification.","Bioconjugate chemistry","2019","30","10","2604","2613","10.1021/acs.bioconjchem.9b00534","","","1.54178","CuKα","","0.0611","0.0559","","","0.1581","0.1656","","","","","","1.037","","","","has coordinates","220329","2020-10-21","18:00:00",""
"1552500","5.8712","0.0002","15.8059","0.0005","9.0571","0.0003","90","","94.6669","0.0008","90","","837.71","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O4 S -","- C8 H7 N O4 S -","- C32 H28 N4 O16 S4 -","4","1","","Mcleod, Matthew J.; Krismanich, Anthony P.; Assoud, Abdeljalil; Dmitrienko, Gary I.; Holyoak, Todd","Characterization of 3-[(Carboxymethyl)thio]picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinase.","Biochemistry","2019","58","37","3918","3926","10.1021/acs.biochem.9b00583","","","0.71073","MoKα","","0.0348","0.029","","","0.0745","0.0786","","","","","","1.064","","","","has coordinates","220331","2020-10-21","18:00:00",""
"1552501","32.35","0.02","6.672","0.004","8.016","0.005","90","","103.59","0.02","90","","1681.7","1.8","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H21 Cl N2 O5 -","- C18 H21 Cl N2 O5 -","- C72 H84 Cl4 N8 O20 -","4","1","","Shi, Taoda; Wijeratne, E. M. Kithsiri; Solano, Cristian; Ambrose, Andrew J.; Ross, Alison B.; Norwood, Charles; Orido, Charles K.; Grigoryan, Tigran; Tillotson, Joseph; Kang, Minjin; Luo, Gang; Keegan, Bradley M.; Hu, Wenhao; Blagg, Brian S. J.; Zhang, Donna D.; Gunatilaka, A. A. Leslie; Chapman, Eli","An Isoform-Selective PTP1B Inhibitor Derived from Nitrogen-Atom Augmentation of Radicicol.","Biochemistry","2019","58","30","3225","3231","10.1021/acs.biochem.9b00499","","","0.71073","MoKα","","0.0663","0.043","","","0.1062","0.1227","","","","","","0.802","","","","has coordinates","220332","2020-10-21","18:00:00",""
"1552502","7.7975","0.0002","12.7667","0.0003","16.0617","0.0004","90","","90","","90","","1598.92","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Zhao, Dong-Lin; Cao, Fei; Wang, Chao-Yi; Yang, Lu-Jia; Shi, Ting; Wang, Kai-Ling; Shao, Chang-Lun; Wang, Chang-Yun","Alternatone A, an Unusual Perylenequinone-Related Compound from a Soft-Coral-Derived Strain of the Fungus Alternaria alternata","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00905","","","1.54178","CuKα","","0.0287","0.0285","","","0.0785","0.0789","","","","","","1.07","","","","has coordinates","220504","2020-10-21","18:00:00",""
"1552509","16.28","0.03","8.916","0.015","30.47","0.05","90","","97.92","0.03","90","","4381","13","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H52 B N S Si -","- C53 H52 B N S Si -","- C212 H208 B4 N4 S4 Si4 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71075","MoKα","","0.1209","0.0681","","","0.1492","0.1773","","","","","","1.068","","","","has coordinates,has disorder","220519","2020-10-21","18:00:00",""
"1552510","10.103","0.008","12.791","0.01","13.778","0.012","84.552","0.016","86.292","0.018","83.85","0.02","1760","2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H46 B N S -","- C43 H46 B N S -","- C86 H92 B2 N2 S2 -","2","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71075","MoKα","","0.124","0.08","","","0.2131","0.3052","","","","","","1.065","","","","has coordinates","220519","2020-10-21","18:00:00",""
"1552511","18.066","0.0003","13.8091","0.0003","19.3607","0.0003","90","","99.953","0.002","90","","4757.32","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H58 B N O2 S Si -","- C57 H58 B N O2 S Si -","- C228 H232 B4 N4 O8 S4 Si4 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71073","MoKα","","0.0739","0.061","","","0.1701","0.1803","","","","","","1.039","","","","has coordinates,has disorder","220519","2020-10-21","18:00:00",""
"1552512","14.0919","0.0002","9.1097","0.0001","36.2632","0.0006","90","","100.447","0.002","90","","4578.05","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 B Ge N2 S -","- C55 H55 B Ge N2 S -","- C220 H220 B4 Ge4 N8 S4 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Blue thermally activated delayed fluorescence emitters incorporating acridan analogues with heavy group 14 elements for high-efficiency doped and non-doped OLEDs","Chemical Science","2019","","","","","10.1039/C9SC04492B","","","0.71073","MoKα","","0.0384","0.0339","","","0.0972","0.0993","","","","","","1.086","","","","has coordinates","220519","2020-10-21","18:00:00",""
"1552513","11.0996","0.0002","18.7393","0.0004","15.7941","0.0004","90","","106.78","0.001","90","","3145.27","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 Mn N P4 Si -","- C27 H48 Mn N P4 Si -","- C108 H192 Mn4 N4 P16 Si4 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0473","0.0325","","","0.0774","0.083","","","","","","1.038","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552514","17.3395","0.001","18.5712","0.001","19.5632","0.0012","90","","90","","90","","6299.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H52 Mn N P4 Si -","- C25.0012 H52.0032 Mn N P4.0004 Si -","- C200.01 H416.026 Mn8 N8 P32.0032 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1117","0.0846","","","0.1787","0.1859","","","","","","1.227","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552515","10.279","0.002","12.666","0.003","13.295","0.003","70.86","0.03","84.97","0.03","87.74","0.03","1628.8","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H59 Mn N2 P4 Si -","- C25 H59 Mn N2 P4 Si -","- C50 H118 Mn2 N4 P8 Si2 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1071","0.0363","","","0.0407","0.0511","","","","","","0.59","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552516","12.3626","0.0003","14.0448","0.0003","17.4117","0.0004","89.648","0.001","74.86","0.001","89.884","0.001","2918.21","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 Mn N P4 Si -","- C23 H48 Mn N P4 Si -","- C92 H192 Mn4 N4 P16 Si4 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0591","0.0519","","","0.1119","0.1139","","","","","","1.252","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552517","9.637","0.0019","10.491","0.002","16.231","0.003","80.96","0.03","75.69","0.03","81.08","0.03","1558.7","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H51 Mn N2 P4 Si -","- C25 H51 Mn N2 P4 Si -","- C50 H102 Mn2 N4 P8 Si2 -","2","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.102","0.0459","","","0.0806","0.0881","","","","","","0.816","","","","has coordinates","220520","2020-10-21","18:00:00",""
"1552518","30.089","0.003","12.8432","0.0011","17.3407","0.0015","90","","90","","90","","6701.1","1.1","100","2","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H55 Mn N2 P4 Si -","- C26.988 H54.968 Mn N2 P3.996 Si -","- C215.904 H439.744 Mn8 N16 P31.968 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1543","0.103","","","0.2048","0.2289","","","","","","1.208","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552519","10.3845","0.0002","16.9686","0.0004","17.6016","0.0004","75.418","0.001","88.242","0.001","80.588","0.001","2961.09","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H52 Mn N P4 Si -","- C21 H52 Mn N P4 Si -","- C84 H208 Mn4 N4 P16 Si4 -","4","2","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0603","0.0429","","","0.0958","0.1039","","","","","","1.049","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552520","16.4955","0.0004","9.9175","0.0002","20.3912","0.0005","90","","111.915","0.001","90","","3094.82","0.13","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H55 Mn N2 P4 Si -","- C23 H55 Mn N2 P4 Si -","- C92 H220 Mn4 N8 P16 Si4 -","4","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.0415","0.0322","","","0.0795","0.0855","","","","","","1.06","","","","has coordinates","220520","2020-10-21","18:00:00",""
"1552521","9.3628","0.0006","9.3628","0.0003","4.2396","","90","","90","","120","","321.86","0.02","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Ca Pd2 -","- Al3 Ca Pd2 -","- Al9 Ca3 Pd6 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0098","0.0069","","","0.0186","0.02","","","","0.83","0.83","0.84","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552522","9.3353","0.0007","9.3353","0.0007","4.2266","0.0003","90","","90","","120","","318.99","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al3 Ca0.66 Pd2 Yb0.34 -","- Al9 Ca1.98 Pd6 Yb1.02 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0208","0.0165","","","0.0367","0.0376","","","","1.44","1.44","1.35","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552523","9.2802","0.0006","9.2802","0.0006","4.1956","0.0003","90","","90","","120","","312.92","0.04","140","","140","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0177","0.0166","","","0.0422","0.0427","","","","1.81","1.81","1.81","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552524","9.311","0.0008","9.311","0.0008","4.2108","0.0003","90","","90","","120","","316.15","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.315667 Pd2 Yb0.684333 -","- Al9 Ca0.947 Pd6 Yb2.053 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0193","0.016","","","0.0359","0.0366","","","","1.41","1.41","1.35","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552525","9.3098","0.0007","9.3098","0.0007","4.214","0.0003","90","","90","","120","","316.3","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al3 Ca0.316 Pd2 Yb0.684 -","- Al9 Ca0.948 Pd6 Yb2.052 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0124","0.0084","","","0.0206","0.0223","","","","0.84","0.84","0.85","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552526","9.3121","0.0007","9.3121","0.0007","4.2135","0.0003","90","","90","","120","","316.42","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.314 Pd2 Yb0.686 -","- Al3 Ca0.314667 Pd2 Yb0.685333 -","- Al9 Ca0.944 Pd6 Yb2.056 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0126","0.0109","","","0.0258","0.0266","","","","1.07","1.07","1.06","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552527","9.2802","0.0006","9.2802","0.0006","4.2222","0.0003","90","","90","","120","","314.91","0.04","90","","90","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0169","0.0157","","","0.036","0.0366","","","","1.53","1.53","1.54","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552528","9.3321","0.0007","9.3321","0.0007","4.2276","0.0003","90","","90","","120","","318.85","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.656 Pd2 Yb0.344 -","- Al3 Ca0.656333 Pd2 Yb0.343667 -","- Al9 Ca1.969 Pd6 Yb1.031 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0127","0.0096","","","0.0221","0.0234","","","","0.91","0.91","0.9","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552529","9.3376","0.0007","9.3376","0.0007","4.2276","0.0003","90","","90","","120","","319.22","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.658 Pd2 Yb0.342 -","- Al3 Ca0.658267 Pd2 Yb0.341733 -","- Al9 Ca1.9748 Pd6 Yb1.0252 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0111","0.0088","","","0.0222","0.0234","","","","0.92","0.92","0.92","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552530","9.333","0.0008","9.333","0.0008","4.2276","0.0003","90","","90","","120","","318.91","0.04","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.655 Pd2 Yb0.345 -","- Al3 Ca0.655333 Pd2 Yb0.344667 -","- Al9 Ca1.966 Pd6 Yb1.034 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0141","0.0097","","","0.0231","0.0247","","","","0.93","0.93","0.9","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552531","9.3122","0.0012","9.3122","0.0012","4.209","0.0005","90","","90","","120","","316.09","0.07","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al3 Ca0.315 Pd2 Yb0.685 -","- Al9 Ca0.945 Pd6 Yb2.055 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0129","0.0101","","","0.0221","0.0232","","","","0.89","0.89","0.88","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552532","9.2956","0.0007","9.2956","0.0007","4.2016","0.0003","90","","90","","120","","314.41","0.04","300","","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al3 Pd2 Yb -","- Al3 Pd2 Yb -","- Al9 Pd6 Yb3 -","3","0.125","","Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver","Temperature induced valence phase transition in intermediate-valent YbPd2Al3","Chemical Science","2019","","","","","10.1039/C9SC04437J","","x-ray","0.71073","MoKα","","0.0176","0.0166","","","0.0383","0.0388","","","","1.62","1.62","1.61","","","","has coordinates","220521","2020-10-21","18:00:00",""
"1552534","8.6136","0.0012","11.249","0.0015","11.7697","0.0017","113.582","0.001","108.764","0.002","96.299","0.002","951.6","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 N2 O4 S -","- C18 H18 Cl2 N2 O4 S -","- C36 H36 Cl4 N4 O8 S2 -","2","1","","Chen, Lai; Zhao, Bin; Fan, Zhijin; Hu, Mengxu; Li, Qing; Hu, Wenhao; Li, Jiwei; Zhang, Jinlin","Discovery of Novel Isothiazole, 1,2,3-Thiadiazole, and Thiazole-Based Cinnamamides as Fungicidal Candidates.","Journal of agricultural and food chemistry","2019","","","","","10.1021/acs.jafc.9b03891","","","0.71073","MoKα","","0.0312","0.0294","","","0.0825","0.0835","","","","","","1.077","","","","has coordinates","220557","2020-10-21","18:00:00",""
"1552535","10.5647","0.0016","21.451","0.004","13.969","0.002","90","","91.911","0.005","90","","3163.9","0.9","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.04","0.036","","","0.107","0.1095","","","","","","1.077","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552536","8.191","0.003","35.062","0.011","11.513","0.003","90","","107.607","0.005","90","","3151.6","1.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H41 Cl0 N3 -","- C44 H41 N3 -","- C176 H164 N12 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.0724","0.061","","","0.17","0.1769","","","","","","1.033","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552537","10.881","0.004","13.068","0.007","13.624","0.007","114.604","0.018","92.906","0.005","97.348","0.01","1735.2","1.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Cl2 N3 O -","- C45 H39 Cl2 N3 O -","- C90 H78 Cl4 N6 O2 -","2","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.099","0.0639","","","0.1619","0.1754","","","","","","1.01","","","","has coordinates,has disorder","220577","2020-10-21","18:00:00",""
"1552538","10.5709","0.0004","24.7927","0.0005","11.9563","0.0003","90","","93.905","0.003","90","","3126.25","0.16","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 N3 O4 -","- C42 H37 N3 O4 -","- C168 H148 N12 O16 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54184","CuKα","","0.1073","0.0887","","","0.3067","0.3301","","","","","","1.082","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552539","14.877","0.002","15.0887","0.0014","17.9227","0.0012","71.32","0.005","89.99","0.011","89.98","0.012","3811.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H102 N6 O6 S2 -","- C96 H102 N6 O6 S2 -","- C192 H204 N12 O12 S4 -","2","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.0691","0.0638","","","0.1699","0.1747","","","","","","1.007","","","","has coordinates,has disorder","220577","2020-10-21","18:00:00",""
"1552540","12.0286","0.0001","12.6096","0.0002","12.8296","0.0002","74.462","0.001","75.361","0.001","86.828","0.001","1813.8","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H41 Cl2 N3 O3 -","- C44 H41 Cl2 N3 O3 -","- C88 H82 Cl4 N6 O6 -","2","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54184","CuKα","","0.045","0.0446","","","0.1251","0.1255","","","","","","1.087","","","","has coordinates,has disorder","220577","2020-10-21","18:00:00",""
"1552541","9.5987","0.00004","11.3641","0.00004","22.0855","0.00006","90","","93.217","0.004","90","","2405.3","0.017","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N -","- C32 H26 Cl N -","- C128 H104 Cl4 N4 -","4","1","","Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe","Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes","Polymer Chemistry","2019","","","","","10.1039/C9PY01415B","","","0.71073","MoKα","","0.0379","0.0379","","0.0452","0.0452","0.0452","","","","","","0.9656","","","","has coordinates","220584","2020-10-21","18:00:00",""
"1552542","17.139","0.003","9.122","0.002","12.098","0.002","90","","126.55","0.03","90","","1519.5","0.8","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H23 Cl2 N3 V -","- C8 H23 Cl2 N3 V -","- C32 H92 Cl8 N12 V4 -","4","1","","Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe","Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes","Polymer Chemistry","2019","","","","","10.1039/C9PY01415B","","","0.71073","MoKα","","0.0807","0.0445","","","0.1078","0.1247","","","","","","0.843","","","","has coordinates","220584","2020-10-21","18:00:00",""
"1552543","12.32","0.005","23.643","0.005","19.162","0.005","90","","108.331","0.005","90","","5298","3","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H33 Cl2 N3 V -","- C26.5 H33 Cl2 N3 V -","- C212 H264 Cl16 N24 V8 -","8","2","","Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe","Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes","Polymer Chemistry","2019","","","","","10.1039/C9PY01415B","","","0.7107","MoKα","","0.0908","0.0466","","0.0503","0.0446","0.0446","","","","","","1.1336","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552544","13.7831","0.0005","12.406","0.0005","25.9963","0.001","90","","96.265","0.001","90","","4418.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cl1.5 N1.5 V0.5 -","- C25 H27 Cl1.5 N1.5 V0.5 -","- C200 H216 Cl12 N12 V4 -","8","1","","Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe","Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes","Polymer Chemistry","2019","","","","","10.1039/C9PY01415B","","","0.71073","MoKα","","0.0279","0.0266","","","0.074","0.0752","","","","","","1.099","","","","has coordinates","220584","2020-10-21","18:00:00",""
"1552545","9.343","0.003","12.699","0.003","18.845","0.005","94.699","0.009","97.476","0.007","94.983","0.008","2198.7","1.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H39 Cl3 N4 V -","- C47 H39 Cl3 N4 V -","- C94 H78 Cl6 N8 V2 -","2","1","","Zanchin, Giorgia; Bertini, Fabio; Vendier, Laure; Ricci, Giovanni; Lorber, Christian; Leone, Giuseppe","Copolymerization of Ethylene with Propylene and Higher α-Olefins Catalyzed by (Imido)vanadium(IV) Dichloride Complexes","Polymer Chemistry","2019","","","","","10.1039/C9PY01415B","","","0.71073","MoKα","","0.0441","0.0354","","0.0477","0.1147","0.1338","","","","","","1.118","","","","has coordinates","220584","2020-10-21","18:00:00",""
"1552546","5.1875","0.0001","9.0047","0.0002","20.0217","0.0005","90","","95.752","0.001","90","","930.54","0.04","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Al1.95 H2 K O12 Si4 Ti0.05 -","- Al1.874 H2 K0.939 O12 Si4 Ti0.19 -","- Al7.496 H8 K3.756 O48 Si16 Ti0.76 -","4","0.5","","Stubbs, Joanne E.; Legg, Benjamin A.; Lee, Sang Soo; Dera, Przemyslaw; De Yoreo, James J.; Fenter, Paul; Eng, Peter J.","Epitaxial Growth of Gibbsite Sheets on the Basal Surface of Muscovite Mica","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08219","","","0.56086","AgKα","","0.0793","0.0781","","","0.2197","0.222","","","","","","1.14","","","","has coordinates","220613","2020-10-21","18:00:00",""
"1552547","7.2416","0.0006","19.5787","0.0015","12.4951","0.001","90","","104.895","0.003","90","","1712","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O2 -","- C22 H14 N2 O2 -","- C88 H56 N8 O8 -","4","1","","Wang, Zhiqiang; Wang, Mengzhu; Peng, Jingqing; Xie, Yufeng; Liu, Miaochang; Gao, Wenxia; Zhou, Yunbing; Huang, Xiaobo; Wu, Huayue","Polymorphism and Multicolor Mechanofluorochromism of a D-π-A Asymmetric 4H-Pyran Derivative with Aggregation-Induced Emission Property","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b06912","","","0.71073","MoKα","","0.0894","0.0548","","","0.1334","0.1604","","","","","","1.052","","","","has coordinates","220614","2020-10-21","18:00:00",""
"1552548","7.2532","0.0004","19.5985","0.0011","12.5057","0.0007","90","","105.046","0.002","90","","1716.76","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O2 -","- C22 H14 N2 O2 -","- C88 H56 N8 O8 -","4","1","","Wang, Zhiqiang; Wang, Mengzhu; Peng, Jingqing; Xie, Yufeng; Liu, Miaochang; Gao, Wenxia; Zhou, Yunbing; Huang, Xiaobo; Wu, Huayue","Polymorphism and Multicolor Mechanofluorochromism of a D-π-A Asymmetric 4H-Pyran Derivative with Aggregation-Induced Emission Property","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b06912","","","0.71073","MoKα","","0.0858","0.0498","","","0.1088","0.1293","","","","","","1.063","","","","has coordinates","220615","2020-10-21","18:00:00",""
"1552549","3.4831","0.0007","6.4226","0.0012","14.177","0.003","90.147","0.011","95.88","0.014","90.159","0.019","315.48","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Ag N3 O3 -","- C4 H4 Ag N3 O3 -","- C8 H8 Ag2 N6 O6 -","2","1","","Soe, Eaindar; Ehlke, Beatriz; Oliver, Scott R. J.","A Cationic Silver Pyrazine Coordination Polymer with High Capacity Anion Uptake from Water.","Environmental science & technology","2019","53","13","7663","7672","10.1021/acs.est.9b01633","","","0.71073","MoKα","","0.0541","0.0484","","","0.113","0.1181","","","","","","1.155","","","","has coordinates","220620","2020-10-21","18:00:00",""
"1552550","16.6119","0.0005","6.83947","0.00016","22.5749","0.0006","90","","98.255","0.007","90","","2538.31","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","2","IS4037","Pal, Tarun Kumar; Alam, Md Ashraful; Hossain, Md Dulal; Paul, Subrata; Miyatake, Ryuta; Sheikh, Md Chanmiya","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2019","4","10","x191401","","10.1107/S2414314619014019","","","0.71075","MoKα","","0.0667","0.043","","","0.091","0.0995","","","","","","1.025","","","","has coordinates,has Fobs","221328","2020-10-21","18:00:00",""
"1552551","9.8947","0.0004","10.6554","0.0004","19.0286","0.0008","90","","90","","90","","2006.22","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","HB4321","Outahar, Fatima; Hannioui, Abdellah; Rakib, El Mostapha; Akssira, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","IUCrData","2019","4","10","x191408","","10.1107/S2414314619014081","","","0.71073","MoKα","","0.0555","0.0421","","","0.0995","0.1068","","","","","","1.035","","","","has coordinates,has Fobs","221330","2020-10-21","18:00:00",""
"1552552","9.5014","0.0015","13.801","0.002","15.834","0.003","66.375","0.004","89.911","0.004","81.735","0.004","1878.9","0.5","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","","- C46 H48 Mg N2 O3 -","- C46 H48 Mg N2 O3 -","- C92 H96 Mg2 N4 O6 -","2","1","WM4115","Al-Masri, Harbi Tomah","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","IUCrData","2019","4","10","x191412","","10.1107/S2414314619014123","","","0.71073","MoKα","","0.1618","0.0866","","","0.2172","0.25","","","","","","1.087","","","","has coordinates","221331","2020-10-21","18:00:00",""
"1552553","6.4844","0.0006","8.7749","0.0008","39.69","0.004","90","","90","","90","","2258.4","0.4","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N O5 -","- C23 H27 Cl N O5 -","- C92 H108 Cl4 N4 O20 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","","0.71073","MoKα","","0.1569","0.1441","","","0.3532","0.3645","","","","","","1.075","","","","has coordinates,has disorder","222056","2020-10-21","18:00:00",""
"1552554","7.3616","0.0005","8.6802","0.0004","31.9635","0.0016","90","","92.7","0.006","90","","2040.2","0.2","293","2","293.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C21 H24 Cl N O4 -","- C21 H24 Cl N O4 -","- C84 H96 Cl4 N4 O16 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","x-ray","0.71073","MoKα","","0.0517","0.0412","","","0.0899","0.0983","","","","","","1.052","","","","has coordinates","222057","2020-10-21","18:00:00",""
"1552555","19.735","0.007","7.1382","0.0019","13.804","0.004","90","","95.834","0.009","90","","1934.5","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 N4 O S2 -","- C19 H14 Cl2 N4 O S2 -","- C76 H56 Cl8 N16 O4 S8 -","4","1","","Wu, Qifan; Zhao, Bin; Fan, Zhijin; Guo, Xiaofeng; Yang, Dongyan; Zhang, Nailou; Yu, Bin; Zhou, Shuang; Zhao, Jiabao; Chen, Fan","Discovery of Novel Piperidinylthiazole Derivatives As Broad-Spectrum Fungicidal Candidates.","Journal of agricultural and food chemistry","2019","67","5","1360","1370","10.1021/acs.jafc.8b06054","","","0.71073","MoKα","","0.0354","0.0275","","","0.0703","0.0734","","","","","","1.026","","","","has coordinates","222058","2020-10-21","18:00:00",""
"1552556","17.488","0.004","8.8509","0.0018","9.5081","0.0019","90","","97.51","0.03","90","","1459.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.","Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2019","67","6","1647","1655","10.1021/acs.jafc.8b06935","","","0.71073","MoKα","","0.1005","0.0762","","","0.2098","0.2317","","","","","","1.03","","","","has coordinates","222059","2020-10-21","18:00:00",""
"1552557","7.2642","0.0015","11.55","0.002","13.424","0.003","69.71","0.03","84.79","0.03","73.31","0.03","1011.9","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F4 N2 O3 S2 -","- C19 H15 F4 N2 O3 S2 -","- C38 H30 F8 N4 O6 S4 -","2","1","","Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.","Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2019","67","6","1647","1655","10.1021/acs.jafc.8b06935","","","0.71073","MoKα","","0.0896","0.0538","","","0.1337","0.1927","","","","","","1.012","","","","has coordinates","222060","2020-10-21","18:00:00",""
"1552558","8.6537","0.0003","8.8678","0.0003","16.7811","0.0008","77.756","0.004","82.545","0.004","68.655","0.003","1170.2","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1","P 1","1","","BGB-3111","","- C27 H29 N5 O3 -","- C27 H29 N5 O3 -","- C54 H58 N10 O6 -","2","2","","Guo, Yunhang; Liu, Ye; Hu, Nan; Yu, Desheng; Zhou, Changyou; Shi, Gongyin; Zhang, Bo; Wei, Min; Liu, Junhua; Luo, Lusong; Tang, Zhiyu; Song, Huipeng; Guo, Yin; Liu, Xuesong; Su, Dan; Zhang, Shuo; Song, Xiaomin; Zhou, Xing; Hong, Yuan; Chen, Shuaishuai; Cheng, Zhenzhen; Young, Steve; Wei, Qiang; Wang, Haisheng; Wang, Qiuwen; Lv, Lei; Wang, Fan; Xu, Haipeng; Sun, Hanzi; Xing, Haimei; Li, Na; Zhang, Wei; Wang, Zhongbo; Liu, Guodong; Sun, Zhijian; Zhou, Dongping; Li, Wei; Liu, Libin; Wang, Lai; Wang, Zhiwei","Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.","Journal of medicinal chemistry","2019","62","17","7923","7940","10.1021/acs.jmedchem.9b00687","","x-ray","1.54178","CuKα","","0.0293","0.0288","","","0.0786","0.0789","","","","","","1.031","","","","has coordinates,has disorder","222068","2020-10-21","18:00:00",""
"1552559","7.513","0.013","13.49","0.02","32.45","0.06","90","","90","","90","","3289","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh","Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant.","Journal of medicinal chemistry","2019","62","13","6315","6329","10.1021/acs.jmedchem.9b00717","","","0.71073","MoKα","","0.0962","0.0469","","","0.088","0.1001","","","","","","1.009","","","","has coordinates","222069","2020-10-21","18:00:00",""
"1552560","6.6465","0.0002","6.6465","0.0002","43.3632","0.0014","90","","90","","120","","1658.97","0.09","295.71","0.13","295.71","0.13","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C60 H78 F6 N12 O30 -","6","1","","Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin","Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.","Journal of medicinal chemistry","2019","62","13","6346","6362","10.1021/acs.jmedchem.9b00781","","x-ray","1.54184","CuKα","","0.0337","0.0309","","","0.0758","0.0779","","","","","","1.062","","","","has coordinates","222070","2020-10-21","18:00:00",""
"1552561","10.20373","0.00008","6.97368","0.00006","18.69692","0.00015","90","","96.8278","0.0007","90","","1320.99","0.019","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 F2 N5 O4.5 -","- C11 H16 F2 N5 O4.5 -","- C44 H64 F8 N20 O18 -","4","2","","Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin","Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.","Journal of medicinal chemistry","2019","62","13","6346","6362","10.1021/acs.jmedchem.9b00781","","x-ray","1.54184","CuKα","","0.0246","0.0241","","","0.0655","0.0659","","","","","","1.027","","","","has coordinates","222071","2020-10-21","18:00:00",""
"1552562","5.8735","0.0002","13.5166","0.0005","14.1374","0.0005","90","","90","","90","","1122.36","0.07","293.55","0.1","293.55","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 N2 O5 -","- C10 H12 F2 N2 O5 -","- C40 H48 F8 N8 O20 -","4","1","","Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin","Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.","Journal of medicinal chemistry","2019","62","13","6346","6362","10.1021/acs.jmedchem.9b00781","","x-ray","1.54184","CuKα","","0.0318","0.0307","","","0.0803","0.0813","","","","","","1.0649","","","","has coordinates","222072","2020-10-21","18:00:00",""
"1552563","13.4535","0.0008","16.0914","0.0011","19.2715","0.0011","111.899","0.002","93.037","0.002","111.657","0.002","3508.7","0.4","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H22 F6 Ir N6 P S2 -","- C36 H22 F6 Ir N6 P S2 -","- C144 H88 F24 Ir4 N24 P4 S8 -","4","2","","Cao, Jian-Jun; Zheng, Yue; Wu, Xiao-Wen; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Ji, Liang-Nian; Mao, Zong-Wan","Anticancer Cyclometalated Iridium(III) Complexes with Planar Ligands: Mitochondrial DNA Damage and Metabolism Disturbance.","Journal of medicinal chemistry","2019","62","7","3311","3322","10.1021/acs.jmedchem.8b01704","","","0.71073","MoKα","","0.1033","0.0681","","","0.1699","0.1937","","","","","","1.057","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1552564","5.3744","0.0004","13.834","0.001","28.1059","0.0019","90","","90","","90","","2089.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C96 H104 N8 O20 -","4","1","","Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.","Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.","Journal of medicinal chemistry","2019","62","9","4500","4525","10.1021/acs.jmedchem.9b00056","","x-ray","1.34139","GaKα","","0.0737","0.062","","","0.1591","0.1702","","","","","","1.088","","","","has coordinates","222074","2020-10-21","18:00:00",""
"1552565","11.4081","0.0012","16.2769","0.0016","12.6451","0.0018","90","","116.589","0.004","90","","2099.7","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","2","","Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.","Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.","Journal of medicinal chemistry","2019","62","9","4500","4525","10.1021/acs.jmedchem.9b00056","","x-ray","1.34139","GaKα","","0.157","0.1453","","","0.3377","0.3547","","","","","","1.571","","","","has coordinates","222075","2020-10-21","18:00:00",""
"1552566","6.853","0.0003","9.4417","0.0004","14.5253","0.0007","95.002","0.001","90.639","0.002","104.895","0.001","904.26","0.07","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cl F3 N5 S -","- C17 H17 Cl F3 N5 S -","- C34 H34 Cl2 F6 N10 S2 -","2","1","","Ogasawara, Daisuke; Ichu, Taka-Aki; Jing, Hui; Hulce, Jonathan J.; Reed, Alex; Ulanovskaya, Olesya A.; Cravatt, Benjamin F.","Discovery and Optimization of Selective and in Vivo Active Inhibitors of the Lysophosphatidylserine Lipase α/β-Hydrolase Domain-Containing 12 (ABHD12).","Journal of medicinal chemistry","2019","62","3","1643","1656","10.1021/acs.jmedchem.8b01958","","x-ray","0.71073","MoKα","","0.0368","0.0289","","","0.0653","0.0699","","","","","","1.032","","","","has coordinates","222076","2020-10-21","18:00:00",""
"1552567","6.2391","0.0001","13.5298","0.0001","17.8216","0.0002","90","","90","","90","","1504.39","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Zhang, Di; Yi, Wenwen; Ge, Hengju; Zhang, Zhizhen; Wu, Bin","Bioactive Streptoglutarimides A-J from the Marine-Derived <i>Streptomyces</i> sp. ZZ741.","Journal of natural products","2019","82","10","2800","2808","10.1021/acs.jnatprod.9b00481","","x-ray","1.54184","CuKα","","0.0334","0.0328","","","0.0854","0.086","","","","","","1.05","","","","has coordinates","222088","2020-10-21","18:00:00",""
"1552568","7.3328","0.0003","16.9299","0.0008","21.8307","0.0009","90","","90","","90","","2710.1","0.2","295.72","0.11","295.72","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0544","0.0415","","","0.0976","0.1075","","","","","","1.037","","","","has coordinates","222089","2020-10-21","18:00:00",""
"1552569","6.6034","0.0007","19.42","0.002","11.2933","0.001","90","","95.853","0.009","90","","1440.7","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O5 -","- C31 H50 O5 -","- C62 H100 O10 -","2","1","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0932","0.0852","","","0.2403","0.2512","","","","","","1.056","","","","has coordinates","222090","2020-10-21","18:00:00",""
"1552570","6.86011","0.00011","12.7036","0.0002","31.2318","0.0005","90","","90","","90","","2721.79","0.08","295.53","0.1","295.53","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O5 -","- C30 H46 O5 -","- C120 H184 O20 -","4","1","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0344","0.0331","","","0.086","0.0871","","","","","","1.074","","","","has coordinates","222091","2020-10-21","18:00:00",""
"1552571","7.3195","0.0002","16.8609","0.0004","21.8814","0.0005","69.35","0.002","87.717","0.002","83.935","0.002","2512.8","0.11","292.4","0.2","292.4","0.2","","","","","","","","4","P 1","P 1","1","","","","- C36 H55 N O4 -","- C36 H55 N O4 -","- C108 H165 N3 O12 -","3","3","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0453","0.0432","","","0.1153","0.1178","","","","","","1.023","","","","has coordinates","222092","2020-10-21","18:00:00",""
"1552572","11.4676","0.0005","11.4676","0.0005","38.8463","0.0019","90","","90","","120","","4424.1","0.3","200","2","200","2","","","","","","","","5","P 61","P 61","169","","","","- C32 H39 F3 N O9 -","- C32 H39 F3 N O9 -","- C192 H234 F18 N6 O54 -","6","1","","Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin","Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.","Journal of natural products","2019","82","10","2790","2799","10.1021/acs.jnatprod.9b00451","","","1.54178","CuKα","","0.1894","0.0862","","","0.189","0.2633","","","","","","0.997","","","","has coordinates","222093","2020-10-21","18:00:00",""
"1552573","9.0638","0.0003","16.6186","0.0005","18.1526","0.0006","90","","101.326","0.002","90","","2681.04","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N O7 -","- C30 H39 N O7 -","- C120 H156 N4 O28 -","4","2","","Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin","Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.","Journal of natural products","2019","82","10","2790","2799","10.1021/acs.jnatprod.9b00451","","","1.54178","CuKα","","0.0415","0.0401","","","0.1112","0.1129","","","","","","1.028","","","","has coordinates","222094","2020-10-21","18:00:00",""
"1552574","10.8456","0.0003","14.0649","0.0004","17.0765","0.0005","90","","90","","90","","2604.89","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N O6 -","- C30 H39 N O6 -","- C120 H156 N4 O24 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin","Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.","Journal of natural products","2019","82","10","2790","2799","10.1021/acs.jnatprod.9b00451","","","0.71073","MoKα","","0.0765","0.0492","","","0.0941","0.1058","","","","","","1.004","","","","has coordinates","222095","2020-10-21","18:00:00",""
"1552575","8.2532","0.0001","9.8316","0.0001","37.9017","0.0004","90","","90","","90","","3075.43","0.06","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","epieuphoscopin A","epieuphoscopin A","","- C32 H44 O9 -","- C32 H44 O9 -","- C128 H176 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0422","0.0412","","","0.1187","0.1197","","","","","","1.087","","","","has coordinates","222096","2020-10-21","18:00:00",""
"1552576","9.1038","0.0001","11.6255","0.0001","13.5058","0.0001","90","","89.859","0.001","90","","1429.4","0.02","120","0.1","120","0.1","","","","","","","Euphorbia helioscopia","3","P 1 21 1","P 2yb","4","Euphoscopoid E","Euphoscopoid E","","- C31 H40 O7 -","- C31 H40 O7 -","- C62 H80 O14 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0323","0.0321","","","0.0831","0.0833","","","","","","1.054","","","","has coordinates","222097","2020-10-21","18:00:00",""
"1552577","10.083","0.0001","12.1398","0.0001","25.8853","0.0004","90","","90","","90","","3168.51","0.06","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","euphornin H","euphornin H","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0752","0.0758","","","","","","1.03","","","","has coordinates","222098","2020-10-21","18:00:00",""
"1552578","7.9611","0.0003","12.8686","0.0005","25.9554","0.0009","90","","90","","90","","2659.08","0.17","178","3","178","3","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","Euphoscopoid D","Euphoscopoid D","","- C29 H34 O7 -","- C29 H34 O7 -","- C116 H136 O28 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0621","0.0434","","","0.0864","0.0924","","","","","","1.004","","","","has coordinates","222099","2020-10-21","18:00:00",""
"1552579","10.0038","0.0002","16.8028","0.0003","11.5827","0.0002","90","","101.17","0.002","90","","1910.08","0.06","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 1 21 1","P 2yb","4","euphorbiapene D","euphorbiapene D","","- C42 H52 O8 -","- C42 H52 O8 -","- C84 H104 O16 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0685","0.0623","","","0.1824","0.1863","","","","","","1.117","","","","has coordinates","222100","2020-10-21","18:00:00",""
"1552580","8.8304","0.0001","11.799","0.0001","13.7879","0.0001","90","","92.011","0.001","90","","1435.68","0.02","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 1 21 1","P 2yb","4","euphoscopin A","euphoscopin A","","- C31 H40 O8 -","- C31 H40 O8 -","- C62 H80 O16 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0331","0.0324","","","0.0849","0.0857","","","","","","1.024","","","","has coordinates","222101","2020-10-21","18:00:00",""
"1552581","8.3164","0.0002","9.9841","0.0002","38.0533","0.0009","90","","90","","90","","3159.63","0.12","99.99","0.1","99.99","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","epieuphoscopin B","epieuphoscopin B","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0605","0.0577","","","0.1335","0.135","","","","","","1.162","","","","has coordinates","222102","2020-10-21","18:00:00",""
"1552582","9.3969","0.0001","19.314","0.0002","10.1452","0.0001","90","","101.754","0.001","90","","1802.66","0.03","103","6","103","6","","","","","","","Euphorbia helioscopia","4","P 1 21 1","P 2yb","4","Euphoscopoid F","Euphoscopoid F","","- C37 H41 Cl3 O8 -","- C37 H41 Cl3 O8 -","- C74 H82 Cl6 O16 -","2","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0426","0.0422","","","0.1178","0.1188","","","","","","1.055","","","","has coordinates","222103","2020-10-21","18:00:00",""
"1552583","10.4846","0.0007","13.8805","0.001","24.7259","0.0012","90","","90","","90","","3598.4","0.4","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","4","P 21 21 21","P 2ac 2ab","19","Heliojatrone C","Heliojatrone C","","- C34 H43 Cl3 O9 -","- C34 H43 Cl3 O9 -","- C136 H172 Cl12 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.041","0.0377","","","0.098","0.1009","","","","","","1.02","","","","has coordinates","222104","2020-10-21","18:00:00",""
"1552584","8.83142","0.0001","18.1776","0.0002","22.9178","0.0003","90","","90","","90","","3679.09","0.08","173","0.1","173","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","euphoscopin C","euphoscopin C","","- C38 H44 O9 -","- C38 H44 O9 -","- C152 H176 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","","1.54184","CuKα","","0.0466","0.0447","","","0.1157","0.1181","","","","","","1.035","","","","has coordinates","222105","2020-10-21","18:00:00",""
"1552585","9.3591","0.0004","12.5274","0.0005","12.547","0.0005","74.614","0.004","88.037","0.003","88.948","0.003","1417.45","0.1","173","0.1","173","0.1","","","","","","","Euphorbia helioscopia","3","P 1","P 1","1","euphoscopin L","euphoscopin L","","- C29.75 H38.75 O7.75 -","- C29.75 H38.75 O7.75 -","- C59.5 H77.5 O15.5 -","2","2","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.037","0.0366","","","0.1046","0.1053","","","","","","1.082","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1552586","7.6334","0.00019","9.1599","0.0003","31.784","0.0007","90","","90","","90","","2222.37","0.1","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus.","Journal of natural products","2019","82","10","2897","2906","10.1021/acs.jnatprod.9b00744","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.1138","0.1156","","","","","","1.047","","","","has coordinates","222107","2020-10-21","18:00:00",""
"1552587","6.25416","0.00008","14.0422","0.0002","24.9184","0.0003","90","","90","","90","","2188.39","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","1","","Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus.","Journal of natural products","2019","82","10","2897","2906","10.1021/acs.jnatprod.9b00744","","x-ray","1.54184","CuKα","","0.0463","0.0423","","","0.1104","0.1131","","","","","","1.051","","","","has coordinates,has disorder","222108","2020-10-21","18:00:00",""
"1552588","6.0289","0.0001","14.166","0.0002","25.7023","0.0002","90","","90","","90","","2195.12","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C100 H144 O20 -","4","1","","Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus.","Journal of natural products","2019","82","10","2897","2906","10.1021/acs.jnatprod.9b00744","","x-ray","1.54184","CuKα","","0.046","0.0454","","","0.1195","0.12","","","","","","1.047","","","","has coordinates,has disorder","222109","2020-10-21","18:00:00",""
"1552589","7.21184","0.00012","8.2575","0.00015","29.7262","0.0005","90","","90","","90","","1770.25","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu","Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.","Journal of natural products","2019","82","10","2713","2720","10.1021/acs.jnatprod.9b00247","","x-ray","1.54184","CuKα","","0.0351","0.0349","","","0.0894","0.0895","","","","","","1.085","","","","has coordinates","222110","2020-10-21","18:00:00",""
"1552590","16.211","0.0002","8.33626","0.00011","19.9088","0.0003","90","","101.118","0.0013","90","","2639.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O12 -","- C23 H27 N O12 -","- C92 H108 N4 O48 -","4","2","","Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu","Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.","Journal of natural products","2019","82","10","2713","2720","10.1021/acs.jnatprod.9b00247","","x-ray","1.54184","CuKα","","0.0703","0.067","","","0.1879","0.1941","","","","","","1.03","","","","has coordinates","222111","2020-10-21","18:00:00",""
"1552591","19.261","0.0009","6.1061","0.0003","16.8271","0.001","90","","114.67","0.006","90","","1798.4","0.18","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu","Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.","Journal of natural products","2019","82","10","2713","2720","10.1021/acs.jnatprod.9b00247","","x-ray","1.54184","CuKα","","0.0409","0.0403","","","0.1138","0.1143","","","","","","1.137","","","","has coordinates","222112","2020-10-21","18:00:00",""
"1552592","5.5027","0.0004","7.9285","0.0005","36.706","0.002","90","","90","","90","","1601.42","0.18","152","2","152","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C76 H64 O24 -","4","1","","Phukhamsakda, Chayanard; Macabeo, Allan Patrick G.; Huch, Volker; Cheng, Tian; Hyde, Kevin D.; Stadler, Marc","Sparticolins A-G, Biologically Active Oxidized Spirodioxynaphthalene Derivatives from the Ascomycete <i>Sparticola junci</i>.","Journal of natural products","2019","82","10","2878","2885","10.1021/acs.jnatprod.9b00604","","","1.54178","CuKα","","0.0244","0.0244","","","0.064","0.064","","","","","","1.063","","","","has coordinates","222113","2020-10-21","18:00:00",""
"1552593","9.2167","0.0003","12.1536","0.0004","28.4981","0.0008","90","","90","","90","","3192.25","0.17","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","HQT59","","","- C32 H40 O13 -","- C32 H40 O13 -","- C128 H160 O52 -","4","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54178","CuKα","","0.034","0.0323","","","0.0795","0.0814","","","","","","1.044","","","","has coordinates","222114","2020-10-21","18:00:00",""
"1552594","12.8834","0.0003","14.4364","0.0004","16.8811","0.0005","90","","90","","90","","3139.71","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","HQT58","","","- C32 H40 O13 -","- C32 H40 O13 -","- C128 H160 O52 -","4","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54178","CuKα","","0.0278","0.0274","","","0.0687","0.0691","","","","","","1.041","","","","has coordinates","222115","2020-10-21","18:00:00",""
"1552595","9.618","0.01","12.165","0.006","13.421","0.008","90","","93.76","0.04","90","","1567","2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","HQT52a","","","- C32 H40 O12 -","- C32 H40 O12 -","- C64 H80 O24 -","2","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54184","CuKα","","0.0295","0.0289","","","0.0749","0.0761","","","","","","1.039","","","","has coordinates","222116","2020-10-21","18:00:00",""
"1552596","9.482","0.0013","13.0317","0.0015","26.09","0.004","90","","90","","90","","3223.9","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","SY1","","","- C32 H40 O12 -","- C32 H40 O12 -","- C128 H160 O48 -","4","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54184","CuKα","","0.0392","0.0372","","","0.1212","0.1254","","","","","","1.041","","","","has coordinates","222117","2020-10-21","18:00:00",""
"1552597","7.43158","0.0001","12.64114","0.00017","16.6155","0.0002","68.6576","0.0004","84.8142","0.0004","83.4169","0.0004","1442.29","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C32 H38 O10 -","- C32 H38 O10 -","- C64 H76 O20 -","2","2","","Solipeta, Divya Reddy; Bandi, Siva; Vemulapalli, Sahithya Phani Babu; Pallavi, Preethi M. C.; Vemireddy, Sravanthi; Balasubramania, Sridhar; Mahabalarao, Sampath Kumar H.; Katragadda, Suresh Babu","Secophragmalin-Type Limonoids from <i>Trichilia connaroides</i>: Isolation, Semisynthesis, and Their Cytotoxic Activities.","Journal of natural products","2019","82","10","2731","2743","10.1021/acs.jnatprod.9b00346","","","0.71073","MoKα","","0.0344","0.0336","","","0.0874","0.088","","","","","","1.043","","","","has coordinates","222118","2020-10-21","18:00:00",""
"1552598","12.4671","0.0002","15.1639","0.0003","15.7932","0.0004","90","","90","","90","","2985.7","0.11","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 O11 -","- C32 H36 O10.374 -","- C128 H144 O41.496 -","4","1","","Solipeta, Divya Reddy; Bandi, Siva; Vemulapalli, Sahithya Phani Babu; Pallavi, Preethi M. C.; Vemireddy, Sravanthi; Balasubramania, Sridhar; Mahabalarao, Sampath Kumar H.; Katragadda, Suresh Babu","Secophragmalin-Type Limonoids from <i>Trichilia connaroides</i>: Isolation, Semisynthesis, and Their Cytotoxic Activities.","Journal of natural products","2019","82","10","2731","2743","10.1021/acs.jnatprod.9b00346","","","0.71073","MoKα","","0.1007","0.055","","","0.1253","0.1477","","","","","","1.014","","","","has coordinates","222119","2020-10-21","18:00:00",""
"1552599","10.1293","0.0001","7.3868","0.0001","18.5718","0.0002","90","","99.008","0.001","90","","1372.46","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 N O4 -","- C31 H47 N O4 -","- C62 H94 N2 O8 -","2","1","","Czajkowska-Szczykowska, Dorota; Jastrzebska, Izabella; Rode, Joanna E.; Morzycki, Jacek W.","Revision of the Structure of N, O-Diacetylsolasodine. Unusual Epimerization at the Spiro Carbon Atom during Acetylation of Solasodine.","Journal of natural products","2019","82","1","59","65","10.1021/acs.jnatprod.8b00573","","x-ray","1.54184","CuKα","","0.034","0.0326","","","0.0834","0.0852","","","","","","1.033","","","","has coordinates","222120","2020-10-21","18:00:00",""
"1552600","17.3169","0.0008","10.191","0.0005","19.8401","0.0008","90","","98.595","0.002","90","","3462","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H48 O12.5 -","- C29 H48 O12.5 -","- C116 H192 O50 -","4","2","","Bie, Qiong; Chen, Chunmei; Yu, Muyuan; Guo, Jieru; Wang, Jianping; Liu, Junjun; Zhou, Yuan; Zhu, Hucheng; Zhang, Yonghui","Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species.","Journal of natural products","2019","82","1","80","86","10.1021/acs.jnatprod.8b00694","","","1.54178","CuKα","","0.0839","0.0753","","","0.2029","0.2166","","","","","","1.069","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552601","7.22937","0.00004","28.66155","0.00014","9.57923","0.00007","90","","111.315","0.0007","90","","1849.09","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H31 O4.5 -","- C20 H31 O4.5 -","- C80 H124 O18 -","4","2","","Bie, Qiong; Chen, Chunmei; Yu, Muyuan; Guo, Jieru; Wang, Jianping; Liu, Junjun; Zhou, Yuan; Zhu, Hucheng; Zhang, Yonghui","Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species.","Journal of natural products","2019","82","1","80","86","10.1021/acs.jnatprod.8b00694","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0636","0.0637","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552602","11.6492","0.0003","5.7715","0.0001","17.9296","0.0004","90","","95.66","0.002","90","","1199.59","0.05","150","","150","","","","","","","","from U of Wollongong","3","P 1 21 1","P 2yb","4","","","","- C29 H26 O7 -","- C29 H26 O7 -","- C58 H52 O14 -","2","1","","Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee","Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.","Journal of natural products","2019","82","1","101","110","10.1021/acs.jnatprod.8b00794","","x-ray","1.54184","CuKα","","0.0499","0.0476","","0.1282","0.1249","0.1282","","","","","","1.0063","","","","has coordinates","222124","2020-10-21","18:00:00",""
"1552603","13.508","0.0005","5.3369","0.0002","22.2879","0.0009","90","","95.528","0.004","90","","1599.28","0.11","150","","150","","","","","","","","from U of Wollongong","4","I 1 2 1","I 2y","5","","","","- C16 H17 Cl O6 -","- C16 H17 Cl O6 -","- C64 H68 Cl4 O24 -","4","1","","Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee","Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.","Journal of natural products","2019","82","1","101","110","10.1021/acs.jnatprod.8b00794","","x-ray","1.54184","CuKα","","0.0573","0.056","","0.1611","0.1586","0.1611","","","","","","1.0049","","","","has coordinates","222125","2020-10-21","18:00:00",""
"1552604","17.1336","0.0003","5.5934","0.0001","16.6724","0.0003","90","","105.264","0.002","90","","1541.44","0.05","150","","150","","","","","","","","from U of Wollongong","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","","Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee","Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.","Journal of natural products","2019","82","1","101","110","10.1021/acs.jnatprod.8b00794","","x-ray","1.54184","CuKα","","0.0463","0.0445","","0.124","0.121","0.124","","","","","","0.9964","","","","has coordinates","222126","2020-10-21","18:00:00",""
"1552605","23.6285","0.0002","16.4135","0.0001","5.7063","0.0001","90","","90","","90","","2213.05","0.05","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 2","P 2 2ab","18","","","","- C23.352 H22.704 Cl0.704 O8 -","- C23.352 H22.704 Cl0.704 O8 -","- C93.408 H90.816 Cl2.816 O32 -","4","1","","Auranwiwat, Chiramet; Wongsomboon, Puttandon; Thaima, Thanaphat; Rattanajak, Roonglawan; Kamchonwongpaisan, Sumalee; Willis, Anthony C.; Laphookhieo, Surat; Pyne, Stephen G.; Limtharakul, Thunwadee","Polyoxygenated Cyclohexenes and Their Chlorinated Derivatives from the Leaves of Uvaria cherrevensis.","Journal of natural products","2019","82","1","101","110","10.1021/acs.jnatprod.8b00794","","x-ray","1.54184","CuKα","","0.0425","0.0414","","0.1131","0.1118","0.1131","","","","","","1.0009","","","","has coordinates","222127","2020-10-21","18:00:00",""
"1552606","12.1769","0.0003","9.0209","0.0002","15.9736","0.0004","90","","95.4828","0.001","90","","1746.62","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H56 N O12 -","- C31 H57 N O12 -","- C62 H114 N2 O24 -","2","1","","Gunasekera, Sarath P.; Meyer, Julie L.; Ding, Yousong; Abboud, Khalil A.; Luo, Danmeng; Campbell, Justin E.; Angerhofer, Alexander; Goodsell, Justin L.; Raymundo, Laurie J.; Liu, Junyang; Ye, Tao; Luesch, Hendrik; Teplitski, Max; Paul, Valerie J.","Chemical and Metagenomic Studies of the Lethal Black Band Disease of Corals Reveal Two Broadly Distributed, Redox-Sensitive Mixed Polyketide/Peptide Macrocycles.","Journal of natural products","2019","82","1","111","121","10.1021/acs.jnatprod.8b00804","","","1.54178","CuKα","","0.0326","0.0322","","","0.0891","0.0897","","","","","","1.076","","","","has coordinates,has disorder","222128","2020-10-21","18:00:00",""
"1552607","7.543","0.0002","11.3039","0.0003","19.2193","0.0006","90","","91.587","0.002","90","","1638.11","0.08","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H54 O4 -","- C38 H54 O4 -","- C76 H108 O8 -","2","1","","Wang, Wen-Li; Zhu, Dong-Rong; Chen, Chen; Zhu, Tian-Yu; Han, Chao; Liu, Fei-Yan; Li, Ling-Nan; Luo, Jian-Guang; Kong, Ling-Yi","Taicrypnacids A and B, a Pair of C<sub>37</sub> Heterodimeric Diterpenoid Stereoisomers from <i>Taiwania cryptomerioides</i>.","Journal of natural products","2019","82","8","2087","2093","10.1021/acs.jnatprod.8b00815","","","1.54178","CuKα","","0.0353","0.0317","","","0.0789","0.0808","","","","","","1.041","","","","has coordinates","222129","2020-10-21","18:00:00",""
"1552608","36.4492","0.0005","36.4492","0.0005","9.48811","0.00018","90","","90","","120","","10916.6","0.3","292.2","0.5","292.2","0.5","","","","","","","","4","P 61","P 61","169","","","","- C60 H90 N2 O16 -","- C60 H90 N2 O16 -","- C360 H540 N12 O96 -","6","1","","Long, Yi; Tang, Ting; Wang, Li-Ying; He, Bin; Gao, Kun","Absolute Configuration and Biological Activities of Meroterpenoids from an Endophytic Fungus of <i>Lycium barbarum</i>.","Journal of natural products","2019","82","8","2229","2237","10.1021/acs.jnatprod.9b00288","","","1.54184","CuKα","","0.0737","0.0609","","","0.1552","0.1681","","","","","","1.037","","","","has coordinates,has disorder","222130","2020-10-21","18:00:00",""
"1552609","7.948","0.0004","11.1134","0.0005","15.824","0.0007","105.623","0.002","97.489","0.002","92.541","0.002","1329.97","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 I N2 O7 -","- C25 H30.99 I N2 O7 -","- C50 H61.98 I2 N4 O14 -","2","1","","Yan, Wei; Zhao, Shuang Shuang; Ye, Yong Hao; Zhang, Yang Yang; Zhang, Yue; Xu, Jia Yun; Yin, Sheng Mei; Tan, Ren Xiang","Generation of Indoles with Agrochemical Significance through Biotransformation by <i>Chaetomium globosum</i>.","Journal of natural products","2019","82","8","2132","2137","10.1021/acs.jnatprod.8b01101","","","1.54178","CuKα","","0.0505","0.0487","","","0.1298","0.1315","","","","","","1.041","","","","has coordinates","222131","2020-10-21","18:00:00",""
"1552610","7.5459","0.0005","21.2382","0.001","13.5497","0.0005","90","","90.079","0.003","90","","2171.49","0.19","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","asperophiobolin I","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","2","","Cai, Runlin; Jiang, Hongming; Mo, Yaling; Guo, Huixian; Li, Chunyuan; Long, Yuhua; Zang, Zhenming; She, Zhigang","Ophiobolin-Type Sesterterpenoids from the Mangrove Endophytic Fungus <i>Aspergillus</i> sp. ZJ-68.","Journal of natural products","2019","82","8","2268","2278","10.1021/acs.jnatprod.9b00462","","x-ray","1.54184","CuKα","","0.1693","0.1624","","","0.4338","0.4407","","","","","","2.044","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552611","8.7254","0.0002","9.37661","0.00018","22.1794","0.0004","90","","90","","90","","1814.6","0.06","181","2","181","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0341","0.0339","","","0.0886","0.0888","","","","","","1.0597","","","","has coordinates","222133","2020-10-21","18:00:00",""
"1552612","20.0275","0.0008","7.2784","0.0003","15.4226","0.0006","90","","92.383","0.004","90","","2246.18","0.16","172.8","0.8","173","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C100 H160 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0323","0.0301","","","0.0787","0.0811","","","","","","0.946","","","","has coordinates","222134","2020-10-21","18:00:00",""
"1552613","11.72503","0.00009","11.72503","0.00009","25.843","0.0004","90","","90","","90","","3552.8","0.07","173","0.14","173","0.14","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C160 H256 O32 -","8","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0301","0.0291","","","0.0723","0.0732","","","","","","1.0626","","","","has coordinates","222135","2020-10-21","18:00:00",""
"1552614","6.9779","0.0005","13.5032","0.0014","18.7701","0.0018","90","","90","","90","","1768.6","0.3","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.06","0.0509","","","0.1453","0.1597","","","","","","0.9893","","","","has coordinates","222136","2020-10-21","18:00:00",""
"1552615","10.2255","0.0002","11.9121","0.0003","17.5037","0.0004","90","","90","","90","","2132.08","0.08","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O7 -","- C22 H38 O7 -","- C88 H152 O28 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0775","0.0787","","","","","","1.074","","","","has coordinates","222137","2020-10-21","18:00:00",""
"1552616","20.1097","0.0004","7.25531","0.00013","15.5015","0.0003","90","","95.009","0.0019","90","","2253.06","0.07","173","1","173","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","x-ray","1.54184","CuKα","","0.0352","0.0345","","","0.0956","0.0968","","","","","","1.0466","","","","has coordinates","222138","2020-10-21","18:00:00",""
"1552617","7.7029","0.0013","10.5851","0.0018","43.558","0.007","90","","90","","90","","3551.5","1","273","2","273.15","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H30 O4 -","- C160 H248 O36 -","- C160 H248 O36 -","1","0.125","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","0.71073","MoKα","","0.0881","0.0866","","","0.199","0.1999","","","","","","1.228","","","","has coordinates","222139","2020-10-21","18:00:00",""
"1552618","25.1308","0.0006","25.1308","0.0006","25.1308","0.0006","90","","90","","90","","15871.5","0.7","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C24 H37 N O5 -","- C24 H35 N O5 -","- C576 H840 N24 O120 -","24","1","","Zhang, Xiaotian; Yang, Lu; Wang, Wenjing; Wu, Zhaodi; Wang, Jianping; Sun, Weiguang; Li, Xiao-Nian; Chen, Chunmei; Zhu, Hucheng; Zhang, Yonghui","Flavipesines A and B and Asperchalasines E-H: Cytochalasans and Merocytochalasans from <i>Aspergillus flavipes</i>.","Journal of natural products","2019","82","11","2994","3001","10.1021/acs.jnatprod.9b00512","","","1.54178","CuKα","","0.0383","0.0378","","","0.1026","0.1031","","","","","","1.036","","","","has coordinates","246570","2020-10-21","18:00:00",""
"1552619","9.9612","0.0003","10.7479","0.0003","18.3511","0.0007","90","","90","","90","","1964.71","0.11","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 O7 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0342","0.0296","","","0.071","0.0747","","","","","","0.9693","","","","has coordinates","222141","2020-10-21","18:00:00",""
"1552620","11.1676","0.0003","6.78712","0.00014","11.9803","0.0003","90","","100.342","0.002","90","","893.3","0.04","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0289","0.0285","","","0.0725","0.0729","","","","","","1.0768","","","","has coordinates","222142","2020-10-21","18:00:00",""
"1552621","13.98385","0.00005","14.15826","0.00005","36.36322","0.00012","90","","90","","90","","7199.44","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26.33333 H32.33333 N3 O4.33333 -","- C26.3333 H32.3333 N3 O4.33333 -","- C316 H388 N36 O52 -","12","3","","Li, Huaqiang; Xu, Dan; Sun, Weiguang; Yang, Beiye; Li, Fengli; Liu, Mengting; Wang, Jianping; Xue, Yongbo; Hu, Zhengxi; Zhang, Yonghui","HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>.","Journal of natural products","2019","82","8","2181","2188","10.1021/acs.jnatprod.9b00183","","","1.54184","CuKα","","0.0374","0.0369","","","0.1022","0.1027","","","","","","1.027","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552622","9.1378","0.0003","13.0875","0.0004","14.4181","0.0004","90","","108.325","0.001","90","","1636.83","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Li, Huaqiang; Xu, Dan; Sun, Weiguang; Yang, Beiye; Li, Fengli; Liu, Mengting; Wang, Jianping; Xue, Yongbo; Hu, Zhengxi; Zhang, Yonghui","HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>.","Journal of natural products","2019","82","8","2181","2188","10.1021/acs.jnatprod.9b00183","","","1.54178","CuKα","","0.0424","0.0391","","","0.096","0.0989","","","","","","1.039","","","","has coordinates","222144","2020-10-21","18:00:00",""
"1552623","6.28231","0.00002","18.57951","0.00006","21.81012","0.00008","90","","90","","90","","2545.73","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C108 H140 N12 O24 -","4","1","","Li, Huaqiang; Xu, Dan; Sun, Weiguang; Yang, Beiye; Li, Fengli; Liu, Mengting; Wang, Jianping; Xue, Yongbo; Hu, Zhengxi; Zhang, Yonghui","HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>.","Journal of natural products","2019","82","8","2181","2188","10.1021/acs.jnatprod.9b00183","","x-ray","1.54184","CuKα","","0.0291","0.0287","","","0.0762","0.0765","","","","","","1.027","","","","has coordinates,has disorder","222145","2020-10-21","18:00:00",""
"1552624","7.8303","0.0002","10.9599","0.0002","28.0066","0.0006","90","","90","","90","","2403.51","0.09","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","Cheenpracha, Sarot; Pyne, Stephen G.; Patrick, Brian O.; Andersen, Raymond J.; Maneerat, Wisanu; Laphookhieo, Surat","Mallopenins A-E, Antibacterial Phenolic Derivatives from the Fruits of <i>Mallotus philippensis</i>.","Journal of natural products","2019","82","8","2174","2180","10.1021/acs.jnatprod.9b00182","","x-ray","1.54178","CuKα","","0.0324","0.0314","","","0.0783","0.079","","","","","","1.061","","","","has coordinates","222146","2020-10-21","18:00:00",""
"1552625","28.975","0.004","7.1541","0.0008","21.497","0.003","90","","129.162","0.007","90","","3455.1","0.9","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong","Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.","Journal of natural products","2019","82","5","1114","1119","10.1021/acs.jnatprod.8b00821","","","0.71073","MoKα","","0.1425","0.0703","","","0.114","0.135","","","","","","1.085","","","","has coordinates","222147","2020-10-21","18:00:00",""
"1552626","5.8252","0.0006","13.451","0.0015","20.651","0.002","90","","91.375","0.003","90","","1617.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong","Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.","Journal of natural products","2019","82","5","1114","1119","10.1021/acs.jnatprod.8b00821","","","0.71073","MoKα","","0.1423","0.0729","","","0.1733","0.2061","","","","","","1.043","","","","has coordinates","222149","2020-10-21","18:00:00",""
"1552627","18.0154","0.0015","6.3425","0.0005","16.3801","0.0013","90","","103.812","0.005","90","","1817.5","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","rhinomilisin C","(1S,2S,5R,6S)-2-(chloromethyl)-2-hydroxy-6-((E)-2-(hydroxymethyl) -3-methoxy-3-oxoprop-1-en-1-yl)-5-isopropylcyclohexane -1-carboxylic acid 1.5hydrate","","- C16 H28 Cl O7.5 -","- C16 H28 Cl O7.5 -","- C64 H112 Cl4 O30 -","4","1","","Liu, Shuai; Zhao, Yuping; Heering, Christian; Janiak, Christoph; Müller, Werner E G; Akoné, Sergi Hervé; Liu, Zhen; Proksch, Peter","Sesquiterpenoids from the Endophytic Fungus Rhinocladiella similis.","Journal of natural products","2019","82","5","1055","1062","10.1021/acs.jnatprod.8b00938","","","0.71073","MoKα","","0.0272","0.026","","","0.0654","0.0665","","","","","","1.111","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1552628","6.8238","0.001","11.3682","0.0018","17.66","0.003","90","","90","","90","","1370","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Inose, Kota; Tanaka, Kazuaki; Yamada, Takeshi; Koshino, Hiroyuki; Hashimoto, Masaru","Isolation of Peribysins O, P, and Q from Periconia macrospinosa KT3863 and Configurational Reinvestigation of Peribysin E Diacetate from Periconia byssoides OUPS-N133.","Journal of natural products","2019","82","4","911","918","10.1021/acs.jnatprod.8b01001","","","0.71075","MoKα","","0.0873","0.0498","","","0.1106","0.1709","","","","","","1.081","","","","has coordinates","222151","2020-10-21","18:00:00",""
"1552629","9.8481","0.0006","17.0966","0.001","10.3379","0.0006","90","","114.982","0.003","90","","1577.73","0.17","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H40 O11 -","- C33 H40 O11 -","- C66 H80 O22 -","2","1","","Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.","Jatrophane Diterpenoids from Euphorbia glomerulans.","Journal of natural products","2019","82","4","724","734","10.1021/acs.jnatprod.8b00507","","","1.54178","CuKα","","0.0295","0.0289","","","0.072","0.0725","","","","","","1.055","","","","has coordinates","222152","2020-10-21","18:00:00",""
"1552630","11.7453","0.0005","8.9804","0.0004","18.5229","0.0008","90","","104.213","0.002","90","","1893.94","0.14","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O12 -","- C37 H45 N O12 -","- C74 H90 N2 O24 -","2","1","","Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.","Jatrophane Diterpenoids from Euphorbia glomerulans.","Journal of natural products","2019","82","4","724","734","10.1021/acs.jnatprod.8b00507","","","1.54178","CuKα","","0.0432","0.0417","","","0.1113","0.1129","","","","","","1.075","","","","has coordinates","222153","2020-10-21","18:00:00",""
"1552631","9.9837","0.0006","14.7826","0.0009","27.9856","0.0017","90","","90","","90","","4130.3","0.4","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O13 -","- C42 H48 O13 -","- C168 H192 O52 -","4","1","","Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.","Jatrophane Diterpenoids from Euphorbia glomerulans.","Journal of natural products","2019","82","4","724","734","10.1021/acs.jnatprod.8b00507","","","1.54184","CuKα","","0.0539","0.0441","","","0.1216","0.1305","","","","","","1.022","","","","has coordinates","222154","2020-10-21","18:00:00",""
"1552632","9.517","0.0002","12.0217","0.0003","13.7694","0.0003","90","","97.5","0.001","90","","1561.89","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","","Tang, Jian-Wei; Xu, Hou-Chao; Wang, Wei-Guang; Hu, Kun; Zhou, Yuan-Fei; Chen, Rong; Li, Xiao-Nian; Du, Xue; Sun, Han-Dong; Puno, Pema-Tenzin","(+)- and (-)-Alternarilactone A: Enantiomers with a Diepoxy-Cage-like Scaffold from an Endophytic Alternaria sp.","Journal of natural products","2019","82","4","735","740","10.1021/acs.jnatprod.8b00571","","","1.54178","CuKα","","0.0893","0.0875","","","0.2746","0.2835","","","","","","1.407","","","","has coordinates","222155","2020-10-21","18:00:00",""
"1552633","17.7022","0.0006","9.1991","0.0003","19.6833","0.0006","90","","115.412","0.002","90","","2895.18","0.17","173","2","173.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O10 -","- C30 H25 N O10 -","- C120 H100 N4 O40 -","4","1","","Yang, Cheng Long; Wu, Hui Min; Liu, Cheng Li; Zhang, Xuan; Guo, Zhi Kai; Chen, Yu; Liu, Fang; Liang, Yong; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming","Bialternacins A-F, Aromatic Polyketide Dimers from an Endophytic Alternaria sp.","Journal of natural products","2019","82","4","792","797","10.1021/acs.jnatprod.8b00705","","","1.54178","CuKα","","0.096","0.0702","","","0.1938","0.2158","","","","","","1.234","","","","has coordinates","222156","2020-10-21","18:00:00",""
"1552634","14.7453","0.0003","14.0183","0.0003","15.5","0.0003","90","","115.314","0.001","90","","2896.27","0.11","304","2","304.11","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 O12 -","- C30 H22 O12 -","- C120 H88 O48 -","4","1","","Yang, Cheng Long; Wu, Hui Min; Liu, Cheng Li; Zhang, Xuan; Guo, Zhi Kai; Chen, Yu; Liu, Fang; Liang, Yong; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming","Bialternacins A-F, Aromatic Polyketide Dimers from an Endophytic Alternaria sp.","Journal of natural products","2019","82","4","792","797","10.1021/acs.jnatprod.8b00705","","","1.34139","GaKα","","0.0499","0.045","","","0.1313","0.1358","","","","","","1.063","","","","has coordinates","222157","2020-10-21","18:00:00",""
"1552635","9.5566","0.0005","11.1116","0.0006","13.2868","0.0007","78.022","0.003","86.311","0.003","79.06","0.003","1354.65","0.13","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 O11 -","- C30 H22 O11 -","- C60 H44 O22 -","2","1","","Yang, Cheng Long; Wu, Hui Min; Liu, Cheng Li; Zhang, Xuan; Guo, Zhi Kai; Chen, Yu; Liu, Fang; Liang, Yong; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming","Bialternacins A-F, Aromatic Polyketide Dimers from an Endophytic Alternaria sp.","Journal of natural products","2019","82","4","792","797","10.1021/acs.jnatprod.8b00705","","","1.54178","CuKα","","0.073","0.0463","","","0.1381","0.1562","","","","","","0.991","","","","has coordinates","222158","2020-10-21","18:00:00",""
"1552636","10.13676","0.00011","17.28546","0.00014","33.1549","0.0002","90","","93.655","0.0007","90","","5797.54","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C248 H304 O48 -","8","4","","Zhang, Cui-Yun; Wu, Yan-Li; Zhang, Peng; Chen, Zhuang-Zhuang; Li, Hua; Chen, Li-Xia","Anti-inflammatory Lathyrane Diterpenoids from Euphorbia lathyris.","Journal of natural products","2019","82","4","756","764","10.1021/acs.jnatprod.8b00600","","x-ray","1.54184","CuKα","","0.0399","0.039","","","0.1009","0.1019","","","","","","1.039","","","","has coordinates","222159","2020-10-21","18:00:00",""
"1552637","11.4728","0.0002","14.2022","0.0003","12.6852","0.0003","90","","105.918","0.002","90","","1987.66","0.07","159","4","159","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H46 N4 O10 -","- C43 H46 N4 O10 -","- C86 H92 N8 O20 -","2","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54178","CuKα","","0.0745","0.0699","","","0.1878","0.1953","","","","","","1.055","","","","has coordinates","222160","2020-10-21","18:00:00",""
"1552638","12.1049","0.0003","13.7159","0.0003","12.5767","0.0003","90","","106.918","0.002","90","","1997.74","0.08","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","Conophylline","","","- C44 H52 N4 O11 -","- C44 H52 N4 O11 -","- C88 H104 N8 O22 -","2","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54184","CuKα","","0.0554","0.0502","","","0.1297","0.1342","","","","","","1.017","","","","has coordinates","222161","2020-10-21","18:00:00",""
"1552639","30.7488","0.0004","30.7488","0.0004","14.4242","0.0003","90","","90","","120","","11810.8","0.3","151","2","151","2","","","","","","","","4","R 3 :H","R 3","146","Conophyllinine","","","- C44 H52 N4 O11 -","- C44 H52 N4 O11 -","- C396 H468 N36 O99 -","9","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54178","CuKα","","0.0563","0.0542","","","0.1584","0.1616","","","","","","1.08","","","","has coordinates","222162","2020-10-21","18:00:00",""
"1552640","11.0126","0.0004","15.0348","0.0011","23.3914","0.0012","90","","90","","90","","3873","0.4","142","5","142","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Polyervinine","","","- C43 H46 N4 O10 -","- C43 H46 N4 O10 -","- C172 H184 N16 O40 -","4","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54178","CuKα","","0.0878","0.0606","","","0.1426","0.1595","","","","","","1.055","","","","has coordinates","222163","2020-10-21","18:00:00",""
"1552641","6.8076","0.0001","14.3592","0.0002","15.3172","0.0002","90","","90","","90","","1497.28","0.04","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","lycogladine H","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Yeap, Joanne Soon-Yee; Lim, Kuan-Hon; Yong, Kien-Thai; Lim, Siew-Huah; Kam, Toh-Seok; Low, Yun-Yee","Lycopodium Alkaloids: Lycoplatyrine A, an Unusual Lycodine-Piperidine Adduct from Lycopodium platyrhizoma and the Absolute Configurations of Lycoplanine D and Lycogladine H.","Journal of natural products","2019","82","2","324","329","10.1021/acs.jnatprod.8b00754","","","1.54184","CuKα","","0.041","0.0399","","","0.1057","0.1073","","","","","","1.047","","","","has coordinates","222164","2020-10-21","18:00:00",""
"1552642","7.3734","0.0002","11.8187","0.0003","15.8275","0.0004","90","","90","","90","","1379.27","0.06","168","1","168","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","hydroxy-des-N-methyl-α-obscurine","","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","","Yeap, Joanne Soon-Yee; Lim, Kuan-Hon; Yong, Kien-Thai; Lim, Siew-Huah; Kam, Toh-Seok; Low, Yun-Yee","Lycopodium Alkaloids: Lycoplatyrine A, an Unusual Lycodine-Piperidine Adduct from Lycopodium platyrhizoma and the Absolute Configurations of Lycoplanine D and Lycogladine H.","Journal of natural products","2019","82","2","324","329","10.1021/acs.jnatprod.8b00754","","","1.54184","CuKα","","0.0365","0.0343","","","0.0878","0.0901","","","","","","1.062","","","","has coordinates","222165","2020-10-21","18:00:00",""
"1552643","10.07035","0.00013","12.689","0.0002","21.834","0.0004","90","","90","","90","","2790.01","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O9 -","- C32 H36 O9 -","- C128 H144 O36 -","4","1","","Bai, Bai; Ye, Shao-Xia; Yang, De-Po; Zhu, Long-Ping; Tang, Gui-Hua; Chen, Yun-Yun; Li, George Qian; Zhao, Zhi-Min","Chloraserrtone A, a Sesquiterpenoid Dimer from Chloranthus serratus.","Journal of natural products","2019","82","2","407","411","10.1021/acs.jnatprod.8b00418","","x-ray","1.54184","CuKα","","0.0549","0.0481","","","0.1184","0.1262","","","","","","1.073","","","","has coordinates,has disorder","222166","2020-10-21","18:00:00",""
"1552644","11.0157","0.0001","6.7595","0.0001","13.0366","0.0001","90","","106.373","0.001","90","","931.348","0.018","100.2","0.5","100.2","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C44 H44 O14 -","2","1","","Miyata, Ryo; Sahlan, Muhamad; Ishikawa, Yoshinobu; Hashimoto, Hiroshi; Honda, Sari; Kumazawa, Shigenori","Propolis Components from Stingless Bees Collected on South Sulawesi, Indonesia, and Their Xanthine Oxidase Inhibitory Activity.","Journal of natural products","2019","82","2","205","210","10.1021/acs.jnatprod.8b00541","","x-ray","1.54184","CuKα","","0.0332","0.0322","","","0.0849","0.0857","","","","","","1.081","","","","has coordinates","222167","2020-10-21","18:00:00",""
"1552645","5.9344","0.0001","16.577","0.0001","11.6353","0.0001","90","","90.565","0.0008","90","","1144.56","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Carroll, Anthony W.; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Corrected Structure of Natural Hyacinthacine C<sub>1</sub> via Total Synthesis.","Journal of natural products","2019","82","2","358","367","10.1021/acs.jnatprod.8b00879","","x-ray","1.54184","CuKα","","0.0334","0.0333","","0.0879","0.0877","0.0879","","","","","","1.0018","","","","has coordinates","222168","2020-10-21","18:00:00",""
"1552646","7.6392","0.0007","8.9874","0.0008","20.4621","0.0017","90","","90","","90","","1404.9","0.2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Jaidee, Wuttichai; Andersen, Raymond J.; Chavez, Miguel A. G.; Wang, Yan A.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Borwornpinyo, Suparerk; Laphookhieo, Surat","Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis.","Journal of natural products","2019","82","2","283","292","10.1021/acs.jnatprod.8b00696","","x-ray","1.54178","CuKα","","0.0365","0.0328","","","0.0809","0.0839","","","","","","1.072","","","","has coordinates","222169","2020-10-21","18:00:00",""
"1552647","10.7238","0.001","7.28","0.0006","19.487","0.0017","90","","97.39","0.005","90","","1508.7","0.2","90","2","90","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Jaidee, Wuttichai; Andersen, Raymond J.; Chavez, Miguel A. G.; Wang, Yan A.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Borwornpinyo, Suparerk; Laphookhieo, Surat","Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis.","Journal of natural products","2019","82","2","283","292","10.1021/acs.jnatprod.8b00696","","x-ray","1.54178","CuKα","","0.0367","0.034","","","0.0847","0.0866","","","","","","1.039","","","","has coordinates","222170","2020-10-21","18:00:00",""
"1552648","9.74469","0.00007","11.28356","0.00007","11.95583","0.00009","90","","102.322","0.0007","90","","1284.31","0.016","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O7 -","- C30 H38 O7 -","- C60 H76 O14 -","2","1","","Luo, Pan; Cheng, Yanfang; Yin, Zhiyong; Li, Chanjuan; Xu, Jun; Gu, Qiong","Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum.","Journal of natural products","2019","82","2","349","357","10.1021/acs.jnatprod.8b00863","","x-ray","1.54184","CuKα","","0.0332","0.0326","","","0.0849","0.0857","","","","","","1.034","","","","has coordinates","222171","2020-10-21","18:00:00",""
"1552649","7.5101","0.0003","7.2231","0.0003","14.6089","0.0006","90","","99.597","0.003","90","","781.39","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","","Guzii, Alla G.; Makarieva, Tatyana N.; Denisenko, Vladimir A.; Gerasimenko, Andrey V.; Udovenko, Anatoly A.; Popov, Roman S.; Dmitrenok, Pavel S.; Golotin, Vasily A.; Fedorov, Sergey N.; Grebnev, Boris B.; Stonik, Valentin A.","Guitarrins A-E and Aluminumguitarrin A: 5-Azaindoles from the Northwestern Pacific Marine Sponge Guitarra fimbriata.","Journal of natural products","2019","82","6","1704","1709","10.1021/acs.jnatprod.9b00334","","","0.71073","MoKα","","0.0798","0.0486","","","0.1121","0.1294","","","","","","1.046","","","","has coordinates","222172","2020-10-21","18:00:00",""
"1552650","23.829","0.0017","15.5029","0.0009","15.0302","0.001","90","","121.447","0.003","90","","4736.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H17 Al N6 O6.5 -","- C24.5 H17 Al N6 O6.5 -","- C196 H136 Al8 N48 O52 -","8","1","","Guzii, Alla G.; Makarieva, Tatyana N.; Denisenko, Vladimir A.; Gerasimenko, Andrey V.; Udovenko, Anatoly A.; Popov, Roman S.; Dmitrenok, Pavel S.; Golotin, Vasily A.; Fedorov, Sergey N.; Grebnev, Boris B.; Stonik, Valentin A.","Guitarrins A-E and Aluminumguitarrin A: 5-Azaindoles from the Northwestern Pacific Marine Sponge Guitarra fimbriata.","Journal of natural products","2019","82","6","1704","1709","10.1021/acs.jnatprod.9b00334","","","0.71073","MoKα","","0.1655","0.0629","","","0.1043","0.1373","","","","","","0.966","","","","has coordinates,has disorder","222173","2020-10-21","18:00:00",""
"1552651","7.2498","0.0002","12.1481","0.0003","15.291","0.0003","90","","97.248","0.001","90","","1335.94","0.06","170","2","170.01","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O7 -","- C29 H42 O7 -","- C58 H84 O14 -","2","1","","Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min","Cytotoxic Tigliane Diterpenoids from Croton damayeshu.","Journal of natural products","2019","82","6","1550","1557","10.1021/acs.jnatprod.9b00042","","","1.34139","GaKα","","0.0596","0.0552","","","0.1505","0.1561","","","","","","1.066","","","","has coordinates","222174","2020-10-21","18:00:00",""
"1552652","26.368","0.005","8.2584","0.0015","14.127","0.003","90","","90","","90","","3076.3","1","170","2","169.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O8 -","- C30 H42 O8 -","- C120 H168 O32 -","4","1","","Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min","Cytotoxic Tigliane Diterpenoids from Croton damayeshu.","Journal of natural products","2019","82","6","1550","1557","10.1021/acs.jnatprod.9b00042","","","1.34139","GaKα","","0.1981","0.0973","","","0.2289","0.3019","","","","","","0.958","","","","has coordinates","222175","2020-10-21","18:00:00",""
"1552653","9.4458","0.0002","9.5339","0.0002","24.499","0.0005","90","","90","","90","","2206.27","0.08","170","2","169.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","1","","Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min","Cytotoxic Tigliane Diterpenoids from Croton damayeshu.","Journal of natural products","2019","82","6","1550","1557","10.1021/acs.jnatprod.9b00042","","","1.34139","GaKα","","0.0387","0.0384","","","0.0992","0.0995","","","","","","1.094","","","","has coordinates","222176","2020-10-21","18:00:00",""
"1552654","9.4658","0.0006","13.6587","0.0008","28.643","0.002","90","","90","","90","","3703.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N O11 -","- C40 H44 N O11 -","- C160 H176 N4 O44 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.2273","0.0674","","","0.1224","0.1822","","","","","","0.9","","","","has coordinates","222177","2020-10-21","18:00:00",""
"1552655","9.5854","0.0009","17.8136","0.0017","21.264","0.002","90","","90","","90","","3630.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 N O11 -","- C39 H43 N O11 -","- C156 H172 N4 O44 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.1198","0.0389","","","0.0659","0.0861","","","","","","0.855","","","","has coordinates","222178","2020-10-21","18:00:00",""
"1552656","9.5382","0.0003","13.4084","0.0004","28.913","0.002","90","","90","","90","","3697.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O11 -","- C40 H44 O11 -","- C160 H176 O44 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.1448","0.055","","","0.1291","0.1937","","","","","","0.999","","","","has coordinates","222179","2020-10-21","18:00:00",""
"1552657","10.1182","0.0002","13.8736","0.0002","24.3877","0.0017","90","","90","","90","","3423.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 O10 -","- C38 H44 O10 -","- C152 H176 O40 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.0958","0.0373","","","0.0795","0.1127","","","","","","0.998","","","","has coordinates","222180","2020-10-21","18:00:00",""
"1552658","11.9104","0.0012","9.3699","0.0009","17.1206","0.0012","90","","105.923","0.008","90","","1837.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H46 O13 -","- C37 H46 O13 -","- C74 H92 O26 -","2","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.0479","0.036","","","0.0883","0.1069","","","","","","1.122","","","","has coordinates","222181","2020-10-21","18:00:00",""
"1552659","18.8453","0.0003","10.1003","0.0002","9.7629","0.0002","90","","106.55","0.001","90","","1781.31","0.06","170","2","169.96","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H28 O7 -","- C19 H28 O7 -","- C76 H112 O28 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0281","0.028","","","0.0743","0.0744","","","","","","1.067","","","","has coordinates","222183","2020-10-21","18:00:00",""
"1552660","9.0757","0.0002","10.2698","0.0002","16.8446","0.0003","90","","90","","90","","1570.01","0.05","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0329","0.0317","","","0.0815","0.0825","","","","","","1.054","","","","has coordinates","222185","2020-10-21","18:00:00",""
"1552661","7.6465","0.0001","12.9601","0.0002","15.2245","0.0003","90","","90","","90","","1508.74","0.04","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 O5 -","- C19 H19 O5 -","- C76 H76 O20 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0363","0.0358","","","0.1021","0.1028","","","","","","1.083","","","","has coordinates","222186","2020-10-21","18:00:00",""
"1552662","10.0126","0.0003","11.8286","0.0004","12.3462","0.0004","90","","90","","90","","1462.22","0.08","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0332","0.0304","","","0.0713","0.0733","","","","","","1.107","","","","has coordinates","222187","2020-10-21","18:00:00",""
"1552663","7.095","0.0002","9.6876","0.0002","22.3117","0.0005","90","","90","","90","","1533.56","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.54178","CuKα","","0.0345","0.0329","","","0.0892","0.091","","","","","","1.052","","","","has coordinates","222188","2020-10-21","18:00:00",""
"1552664","11.8611","0.0005","7.1874","0.0003","24.2244","0.001","90","","94.496","0.001","90","","2058.79","0.15","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","2","","Ariantari, Ni P.; Ancheeva, Elena; Wang, Chenyin; Mándi, Attila; Knedel, Tim-O; Kurtán, Tibor; Chaidir, Chaidir; Müller, Werner E G; Kassack, Matthias U.; Janiak, Christoph; Daletos, Georgios; Proksch, Peter","Indole Diterpenoids from an Endophytic Penicillium sp.","Journal of natural products","2019","82","6","1412","1423","10.1021/acs.jnatprod.8b00723","","","1.54178","CuKα","","0.0276","0.0275","","","0.0752","0.0753","","","","","","1.028","","","","has coordinates","222189","2020-10-21","18:00:00",""
"1552665","9.1487","0.0007","10.3308","0.0007","20.0261","0.0014","90","","90","","90","","1892.7","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Reinhardt, Jakob K.; Klemd, Amy M.; Danton, Ombeline; De Mieri, Maria; Smieško, Martin; Huber, Roman; Bürgi, Thomas; Gründemann, Carsten; Hamburger, Matthias","Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity.","Journal of natural products","2019","82","6","1424","1433","10.1021/acs.jnatprod.8b00791","","","1.54178","CuKα","","0.0477","0.0473","","0.0499","0.0496","0.0495","","","","","","1.0832","","","","has coordinates,has disorder","222190","2020-10-21","18:00:00",""
"1552666","19.8206","0.0004","9.5646","0.0002","8.439","0.0002","90","","90","","90","","1599.83","0.06","123","","123","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Reinhardt, Jakob K.; Klemd, Amy M.; Danton, Ombeline; De Mieri, Maria; Smieško, Martin; Huber, Roman; Bürgi, Thomas; Gründemann, Carsten; Hamburger, Matthias","Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity.","Journal of natural products","2019","82","6","1424","1433","10.1021/acs.jnatprod.8b00791","","","1.34143","GaKα","","0.0279","0.0267","","0.0313","0.0295","0.0294","","","","","","1.1151","","","","has coordinates","222191","2020-10-21","18:00:00",""
"1552667","22.2561","0.0009","16.0137","0.0005","8.7122","0.0003","90","","90","","90","","3105.05","0.19","107","1","107","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C33 H44 O9 -","- C33 H44 O9 -","- C132 H176 O36 -","4","1","","Zhang, Jinyu; Li, Yumei; Ren, Fengxia; Zhang, Yang; Liu, Xingzhong; Liu, Ling; Che, Yongsheng","Phomanolides C-F from a Phoma sp.: Meroterpenoids Generated via Hetero-Diels-Alder Reactions.","Journal of natural products","2019","82","6","1678","1685","10.1021/acs.jnatprod.9b00281","","x-ray","1.54184","CuKα","","0.0577","0.0495","","","0.1192","0.1257","","","","","","1.026","","","","has coordinates,has disorder","222192","2020-10-21","18:00:00",""
"1552668","9.684","0.003","7.892","0.002","15.352","0.004","90","","95.198","0.01","90","","1168.5","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.08696 H3.30435 O0.434783 -","- C48 H76 O10 -","23","11.5","","Tang, Dan; Xu, Yuan-Zhen; Wang, Wei-Wei; Yang, Zhi; Liu, Bo; Stadler, Marc; Liu, Ling-Li; Gao, Jin-Ming","Cyathane Diterpenes from Cultures of the Bird's Nest Fungus Cyathus hookeri and Their Neurotrophic and Anti-neuroinflammatory Activities.","Journal of natural products","2019","82","6","1599","","10.1021/acs.jnatprod.9b00091","","","1.54178","CuKα","","0.1753","0.1707","","","0.3812","0.3915","","","","","","1.794","","","","has coordinates","222193","2020-10-21","18:00:00",""
"1552669","14.1618","0.0013","15.0341","0.0014","20.4035","0.0018","90","","96.33","0.003","90","","4317.6","0.7","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C83 H115 Cl9 O16 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Tang, Dan; Xu, Yuan-Zhen; Wang, Wei-Wei; Yang, Zhi; Liu, Bo; Stadler, Marc; Liu, Ling-Li; Gao, Jin-Ming","Cyathane Diterpenes from Cultures of the Bird's Nest Fungus Cyathus hookeri and Their Neurotrophic and Anti-neuroinflammatory Activities.","Journal of natural products","2019","82","6","1599","","10.1021/acs.jnatprod.9b00091","","","1.54184","CuKα","","0.1003","0.0993","","","0.2893","0.2935","","","","","","1.459","","","","has coordinates","222194","2020-10-21","18:00:00",""
"1552670","6.0596","0.0005","20.5898","0.0019","12.0426","0.0011","90","","99.994","0.006","90","","1479.7","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H48 N2 O6 -","- C30 H48 N2 O6 -","- C60 H96 N4 O12 -","2","1","","Feng, Li; Wang, Jia; Liu, Shuai; Zhang, Xue-Jia; Bi, Qi-Rui; Hu, Yan-Yun; Wang, Zhe; Tan, Ning-Hua","Colletopeptides A-D, Anti-inflammatory Cyclic Tridepsipeptides from the Plant Endophytic Fungus Colletotrichum sp. S8.","Journal of natural products","2019","82","6","1434","1441","10.1021/acs.jnatprod.8b00829","","","1.54178","CuKα","","0.0483","0.0457","","","0.122","0.124","","","","","","1.056","","","","has coordinates","222195","2020-10-21","18:00:00",""
"1552671","20.552","0.004","24.959","0.004","6.0646","0.0009","90","","90","","90","","3110.9","0.9","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H48 N2 O6 -","- C30 H48 N2 O6 -","- C120 H192 N8 O24 -","4","1","","Feng, Li; Wang, Jia; Liu, Shuai; Zhang, Xue-Jia; Bi, Qi-Rui; Hu, Yan-Yun; Wang, Zhe; Tan, Ning-Hua","Colletopeptides A-D, Anti-inflammatory Cyclic Tridepsipeptides from the Plant Endophytic Fungus Colletotrichum sp. S8.","Journal of natural products","2019","82","6","1434","1441","10.1021/acs.jnatprod.8b00829","","","1.54178","CuKα","","0.0543","0.0411","","","0.0943","0.1017","","","","","","1.036","","","","has coordinates","222196","2020-10-21","18:00:00",""
"1552672","6.4985","0.0003","12.2997","0.0006","11.3759","0.0006","90","","105.409","0.002","90","","876.59","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H25 O6 -","- C21 H25 O6 -","- C42 H50 O12 -","2","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.1141","0.1091","","","0.3269","0.337","","","","","","1.575","","","","has coordinates","222197","2020-10-21","18:00:00",""
"1552673","6.833","0.0003","13.3504","0.0005","19.1573","0.0009","90","","90","","90","","1747.59","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.0468","0.0418","","","0.1068","0.1119","","","","","","0.945","","","","has coordinates","222198","2020-10-21","18:00:00",""
"1552674","8.279","0.0005","7.3433","0.0004","14.0699","0.0009","90","","93.835","0.002","90","","853.47","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.0432","0.0358","","","0.1219","0.145","","","","","","0.625","","","","has coordinates","222199","2020-10-21","18:00:00",""
"1552675","7.4637","0.0016","11.964","0.002","12.983","0.003","90","","99.527","0.006","90","","1143.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O11 -","- C22 H32 O11 -","- C44 H64 O22 -","2","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.0848","0.0447","","","0.0908","0.1063","","","","","","0.972","","","","has coordinates","222200","2020-10-21","18:00:00",""
"1552676","7.6111","0.0003","14.1236","0.0006","25.26","0.0012","90","","90","","90","","2715.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Au-46","(1S,3aS,3bR,5S,5aS,6S,7R,8R,10aR,10bS)-1-isopropyl-3a,5a,8,10b-tetramethyl-1,2,3,3a,3b,4,5,5a,6,7,8,9,10,10a,10b,11-hexadecahydro-6,8-epoxycyclohepta[a]cyclopenta[f]naphthalene-5,7-diol","","- C26 H41 Cl3 O3 -","- C26 H41 Cl3 O3 -","- C104 H164 Cl12 O12 -","4","1","","Li, Yue-Lan; Gao, Yun; Liu, Chun-Yu; Sun, Chun-Jing; Zhao, Zun-Tian; Lou, Hong-Xiang","Asperunguisins A-F, Cytotoxic Asperane Sesterterpenoids from the Endolichenic Fungus Aspergillus unguis.","Journal of natural products","2019","82","6","1527","1534","10.1021/acs.jnatprod.8b01066","","","1.54178","CuKα","","0.0869","0.0581","","","0.107","0.1209","","","","","","1.061","","","","has coordinates","222201","2020-10-21","18:00:00",""
"1552677","7.1434","0.0005","12.5507","0.0007","24.8837","0.0015","90","","90","","90","","2230.9","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Au-14","(1S,3aS,3bR,5S,5aS,6S,7S,10aR,10bS)-1-isopropyl-3a,5a,10b-trimethyl-8-methylene-1,2,3,3a,3b,4,5,5a,6,7,8,9,10,10a,10b,11-hexadecahydrocyclohepta[a]cyclopenta[f]naphthalene-5,6,7-triol","","- C25 H40 O3 -","- C25 H40 O3 -","- C100 H160 O12 -","4","1","","Li, Yue-Lan; Gao, Yun; Liu, Chun-Yu; Sun, Chun-Jing; Zhao, Zun-Tian; Lou, Hong-Xiang","Asperunguisins A-F, Cytotoxic Asperane Sesterterpenoids from the Endolichenic Fungus Aspergillus unguis.","Journal of natural products","2019","82","6","1527","1534","10.1021/acs.jnatprod.8b01066","","","1.54178","CuKα","","0.1441","0.1249","","","0.3165","0.333","","","","","","1.273","","","","has coordinates","222202","2020-10-21","18:00:00",""
"1552678","7.5548","0.0016","9.708","0.002","13.168","0.003","104.56","0.006","100.175","0.007","107.218","0.007","859.3","0.3","296","2","295.85","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C34 H38 N2 O14 -","2","1","","da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L.","Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil.","Journal of natural products","2019","82","7","1831","1838","10.1021/acs.jnatprod.9b00062","","","0.71073","MoKα","","0.1296","0.0612","","","0.1605","0.2015","","","","","","1.032","","","","has coordinates","222203","2020-10-21","18:00:00",""
"1552679","13.8289","0.0006","6.8772","0.0003","16.9481","0.0007","90","","108.007","0.002","90","","1532.88","0.11","301","2","300.78","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L.","Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil.","Journal of natural products","2019","82","7","1831","1838","10.1021/acs.jnatprod.9b00062","","","0.71073","MoKα","","0.0624","0.0444","","","0.1132","0.1285","","","","","","1.072","","","","has coordinates","222204","2020-10-21","18:00:00",""
"1552680","8.6893","0.0003","15.2942","0.0006","16.9431","0.0006","90","","90","","90","","2251.67","0.14","150","2","150.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O8 -","- C24 H29 N O8 -","- C96 H116 N4 O32 -","4","1","","da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L.","Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil.","Journal of natural products","2019","82","7","1831","1838","10.1021/acs.jnatprod.9b00062","","","1.54178","CuKα","","0.1298","0.0715","","","0.1876","0.2318","","","","","","1.045","","","","has coordinates","222205","2020-10-21","18:00:00",""
"1552681","6.7413","0.0005","41.936","0.004","6.7867","0.0005","90","","101.551","0.007","90","","1879.8","0.3","99.8","0.6","99.8","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","Arbophyllinine B","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","2","","Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>.","Journal of natural products","2019","82","7","1902","1907","10.1021/acs.jnatprod.9b00255","","","0.71073","MoKα","","0.0695","0.0546","","","0.1214","0.1337","","","","","","1.084","","","","has coordinates","222206","2020-10-21","18:00:00",""
"1552682","6.5325","0.0003","7.8576","0.0005","8.6225","0.0005","109.428","0.006","94.781","0.004","113.321","0.005","371.29","0.05","100.2","0.9","100.2","0.9","","","","","","","","3","P 1","P 1","1","Arbophyllidine","","","- C19 H20 N2 -","- C19 H20 N2 -","- C19 H20 N2 -","1","1","","Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>.","Journal of natural products","2019","82","7","1902","1907","10.1021/acs.jnatprod.9b00255","","","0.71073","MoKα","","0.0471","0.0427","","","0.1052","0.1102","","","","","","1.058","","","","has coordinates","222207","2020-10-21","18:00:00",""
"1552683","10.1058","0.0004","5.4876","0.0002","14.6707","0.0005","90","","91.494","0.003","90","","813.31","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Arbophyllinine A","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>.","Journal of natural products","2019","82","7","1902","1907","10.1021/acs.jnatprod.9b00255","","","1.54184","CuKα","","0.0342","0.0328","","","0.0907","0.0923","","","","","","1.047","","","","has coordinates","222208","2020-10-21","18:00:00",""
"1552684","18.1477","0.0005","7.1529","0.0002","19.4739","0.0005","90","","110.515","0.001","90","","2367.56","0.11","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20.5 H38.5 O10.5 -","- C20.5 H38.5 O10.5 -","- C82 H154 O42 -","4","2","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0849","0.0649","","","0.1713","0.1889","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552685","12.043","0.002","12.546","0.003","23.192","0.005","90","","90","","90","","3504.1","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C160 H256 O24 -","8","2","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0323","0.0318","","","0.0959","0.097","","","","","","1.05","","","","has coordinates","222210","2020-10-21","18:00:00",""
"1552686","7.21196","0.00013","11.8487","0.00016","11.19881","0.00017","90","","100.352","0.0016","90","","941.39","0.03","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0404","0.0401","","","0.1067","0.1071","","","","","","1.044","","","","has coordinates","222211","2020-10-21","18:00:00",""
"1552687","7.18422","0.00008","9.88369","0.0001","24.9753","0.0003","90","","90","","90","","1773.41","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0786","0.0789","","","","","","1.077","","","","has coordinates","222212","2020-10-21","18:00:00",""
"1552688","34.793","0.002","13.6374","0.0007","22.243","0.0013","90","","126.751","0.002","90","","8456.3","0.8","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C320 H582 O115 -","- C320 H582 O115 -","- C320 H582 O115 -","1","0.25","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0867","0.0828","","","0.2517","0.2619","","","","","","1.196","","","","has coordinates","222213","2020-10-21","18:00:00",""
"1552689","7.4666","0.0001","9.3339","0.0001","24.8537","0.0002","90","","90","","90","","1732.12","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0275","0.0265","","","0.069","0.0695","","","","","","1.048","","","","has coordinates","222214","2020-10-21","18:00:00",""
"1552690","7.0243","0.0002","10.7505","0.0003","24.3048","0.0007","90","","90","","90","","1835.37","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C80 H128 O24 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0425","0.0371","","","0.0847","0.0879","","","","","","1.064","","","","has coordinates","222215","2020-10-21","18:00:00",""
"1552691","6.19529","0.00004","12.69397","0.00008","22.16712","0.00014","90","","90","","90","","1743.29","0.019","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0273","0.0264","","","0.069","0.0695","","","","","","1.017","","","","has coordinates","222216","2020-10-21","18:00:00",""
"1552692","12.1967","0.0002","16.4091","0.0003","47.1373","0.001","90","","90","","90","","9433.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 N O4 -","- C34 H41 N O4 -","- C408 H492 N12 O48 -","12","3","","Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang","Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.","Journal of natural products","2019","82","7","1752","1758","10.1021/acs.jnatprod.8b00918","","","1.54178","CuKα","","0.0731","0.0563","","","0.1312","0.1392","","","","","","1.016","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552693","20.9402","0.0001","7.0781","0.0001","20.5614","0.0001","90","","91.39","0.001","90","","3046.65","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C35 H45 N O5 -","- C35 H45 N O5 -","- C140 H180 N4 O20 -","4","1","","Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang","Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.","Journal of natural products","2019","82","7","1752","1758","10.1021/acs.jnatprod.8b00918","","x-ray","1.54178","CuKα","","0.0436","0.0434","","","0.1143","0.1145","","","","","","1.073","","","","has coordinates","222218","2020-10-21","18:00:00",""
"1552694","11.6923","0.0001","7.0558","0.0001","19.0143","0.0002","90","","100.318","0.001","90","","1543.28","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23.33 H30.07 N0.67 O3.4 -","- C23.3333 H30.0667 N0.666667 O3.4 -","- C70 H90.2 N2 O10.2 -","3","1.5","","Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang","Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.","Journal of natural products","2019","82","7","1752","1758","10.1021/acs.jnatprod.8b00918","","x-ray","1.54178","CuKα","","0.0348","0.0323","","","0.079","0.0814","","","","","","1.037","","","","has coordinates","222219","2020-10-21","18:00:00",""
"1552695","8.7681","0.0001","10.5647","0.0002","23.8071","0.0002","90","","90","","90","","2205.31","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C92 H144 O24 -","4","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","","1.54178","CuKα","","0.0287","0.028","","","0.0721","0.0725","","","","","","1.059","","","","has coordinates,has disorder","222220","2020-10-21","18:00:00",""
"1552696","11.05762","0.00002","11.05762","0.00002","32.17474","0.00013","90","","90","","90","","3934.04","0.019","100","0.1","100","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C41 H64 O9 -","- C41 H64 O9 -","- C164 H256 O36 -","4","0.5","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","x-ray","1.54184","CuKα","","0.0274","0.0274","","","0.0724","0.0724","","","","","","1.063","","","","has coordinates,has disorder","222221","2020-10-21","18:00:00",""
"1552697","8.03171","0.0001","9.21545","0.0001","24.1141","0.0002","90","","90","","90","","1784.82","0.03","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","x-ray","1.54184","CuKα","","0.0256","0.0255","","","0.0666","0.0666","","","","","","1.044","","","","has coordinates","222222","2020-10-21","18:00:00",""
"1552698","14.5633","0.0001","8.3743","0.0001","15.3907","0.0002","90","","95.7705","0.0005","90","","1867.5","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4.06 -","- C20 H30 O4.06155 -","- C80 H120 O16.2462 -","4","2","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","x-ray","1.54184","CuKα","","0.0299","0.0296","","","0.0778","0.078","","","","","","1.051","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1552699","9.5715","0.0002","13.8018","0.0003","9.9943","0.0002","90","","114.045","0.001","90","","1205.72","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O7 -","- C25 H38 O7 -","- C50 H76 O14 -","2","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","","1.54178","CuKα","","0.0236","0.0235","","","0.0607","0.0607","","","","","","1.066","","","","has coordinates","222224","2020-10-21","18:00:00",""
"1552700","6.6586","0.0002","17.0782","0.0003","10.2338","0.0002","90","","95.942","0.002","90","","1157.5","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O6 -","- C25 H38 O6 -","- C50 H76 O12 -","2","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","","1.54178","CuKα","","0.0419","0.0417","","","0.1146","0.1147","","","","","","1.114","","","","has coordinates","222226","2020-10-21","18:00:00",""
"1552701","5.3671","0.0004","16.4292","0.0016","15.9007","0.0013","90","","95.71","0.003","90","","1395.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","2","","Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui","Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from <i>Trichoderma virens</i> QA-8, an Endophytic Fungus Obtained from the Medicinal Plant <i>Artemisia argyi</i>.","Journal of natural products","2019","82","9","2470","2476","10.1021/acs.jnatprod.9b00139","","","1.54178","CuKα","","0.0996","0.0559","","","0.099","0.1214","","","","","","1.016","","","","has coordinates","222227","2020-10-21","18:00:00",""
"1552702","17.155","0.0003","17.155","0.0003","35.3313","0.0016","90","","90","","90","","10397.8","0.5","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C480 H512 O96 -","32","8","","Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui","Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from <i>Trichoderma virens</i> QA-8, an Endophytic Fungus Obtained from the Medicinal Plant <i>Artemisia argyi</i>.","Journal of natural products","2019","82","9","2470","2476","10.1021/acs.jnatprod.9b00139","","","1.54178","CuKα","","0.1391","0.0562","","","0.0896","0.1151","","","","","","1.02","","","","has coordinates","222228","2020-10-21","18:00:00",""
"1552703","9.06338","0.00013","10.86547","0.00013","17.5252","0.0002","90","","90","","90","","1725.84","0.04","293.68","0.1","293.68","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O5 -","- C15 H23 N3 O5 -","- C60 H92 N12 O20 -","4","1","","Xu, Cheng-Dong; Zhang, Hao-Jian; Ma, Zhong-Jun","Pyrimidine Nucleosides from <i>Streptomyces</i> sp. SSA28.","Journal of natural products","2019","82","9","2509","2516","10.1021/acs.jnatprod.9b00260","","x-ray","1.54184","CuKα","","0.0427","0.0413","","","0.1049","0.1057","","","","","","1.18","","","","has coordinates","222229","2020-10-21","18:00:00",""
"1552704","9.6749","0.0002","10.4511","0.0002","10.917","0.0002","90","","98.643","0.002","90","","1091.32","0.04","293.68","0.1","293.68","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C40 H60 N12 O12 -","4","2","","Xu, Cheng-Dong; Zhang, Hao-Jian; Ma, Zhong-Jun","Pyrimidine Nucleosides from <i>Streptomyces</i> sp. SSA28.","Journal of natural products","2019","82","9","2509","2516","10.1021/acs.jnatprod.9b00260","","x-ray","1.54184","CuKα","","0.0285","0.0278","","","0.0718","0.0756","","","","","","1.084","","","","has coordinates","222230","2020-10-21","18:00:00",""
"1552705","6.4002","0.0003","7.3244","0.0004","15.8163","0.0009","76.713","0.001","85.687","0.001","65.123","0.001","654.44","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H51 N O2 -","- C31 H51 N O2 -","- C31 H51 N O2 -","1","1","","Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu","Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.","Journal of natural products","2019","82","9","2550","2558","10.1021/acs.jnatprod.9b00393","","","0.71073","MoKα","","0.0513","0.0429","","","0.1055","0.1125","","","","","","1.038","","","","has coordinates","222231","2020-10-21","18:00:00",""
"1552706","11.2119","0.0003","16.0871","0.0005","18.4518","0.0006","90","","90","","90","","3328.1","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 F3 O4 -","- C38 H53 F3 O4 -","- C152 H212 F12 O16 -","4","1","","Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu","Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.","Journal of natural products","2019","82","9","2550","2558","10.1021/acs.jnatprod.9b00393","","","0.71073","MoKα","","0.0516","0.0422","","","0.1081","0.1143","","","","","","1.032","","","","has coordinates","222232","2020-10-21","18:00:00",""
"1552707","11.2776","0.0005","13.5246","0.0006","17.7209","0.0008","90","","90","","90","","2702.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","","Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu","Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.","Journal of natural products","2019","82","9","2550","2558","10.1021/acs.jnatprod.9b00393","","","0.71073","MoKα","","0.0319","0.0307","","","0.0826","0.0845","","","","","","1.04","","","","has coordinates","222233","2020-10-21","18:00:00",""
"1552708","26.0009","0.0006","9.6431","0.0003","16.4553","0.0004","90","","94.559","0.002","90","","4112.77","0.19","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C200 H192 O40 -","8","1","","Chen, Yongsheng; Chen, Wan-Na; Hu, Nan; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.; Lan, Ping","Cytotoxicity and Anti-inflammatory Properties of Apigenin-Derived Isolaxifolin.","Journal of natural products","2019","82","9","2451","2459","10.1021/acs.jnatprod.9b00113","","x-ray","0.71073","MoKα","","0.0868","0.0519","","","0.1193","0.1342","","","","","","1.027","","","","has coordinates","222234","2020-10-21","18:00:00",""
"1552709","18.695","0.002","6.122","0.003","20.101","0.004","90","","98.333","0.018","90","","2276.3","1.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O6 -","- C27 H26 O6 -","- C108 H104 O24 -","4","1","","Chen, Yongsheng; Chen, Wan-Na; Hu, Nan; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.; Lan, Ping","Cytotoxicity and Anti-inflammatory Properties of Apigenin-Derived Isolaxifolin.","Journal of natural products","2019","82","9","2451","2459","10.1021/acs.jnatprod.9b00113","","","0.7109","Synchrotron","","0.0859","0.0575","","","0.1406","0.1593","","","","","","1.046","","","","has coordinates","222235","2020-10-21","18:00:00",""
"1552710","10.1075","0.0004","21.6353","0.0007","24.0774","0.001","90","","94.986","0.002","90","","5245.3","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H46 O6 -","- C28 H45.5 O6 -","- C224 H364 O48 -","8","4","","Tan, Choon Yong; Wang, Fengrui; Anaya-Eugenio, Gerardo D; Gallucci, Judith C.; Goughenour, Kristie D.; Rappleye, Chad A.; Spjut, Richard W.; Carcache de Blanco, Esperanza J.; Kinghorn, A. Douglas; Rakotondraibe, L. Harinantenaina","α-Pyrone and Sterol Constituents of <i>Penicillium aurantiacobrunneum</i>, a Fungal Associate of the Lichen <i>Niebla homalea</i>.","Journal of natural products","2019","82","9","2529","2536","10.1021/acs.jnatprod.9b00340","","x-ray","0.71073","MoKα","","0.0495","0.0417","","","0.1065","0.1116","","","","","","1.019","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552711","7.7213","0.0003","10.2396","0.0004","22.5926","0.0008","90","","90","","90","","1786.24","0.12","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 Se -","- C21 H22 O3 Se -","- C84 H88 O12 Se4 -","4","1","","Chinchilla, Nuria; Santana, Alejandro; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G; Macías, Francisco A","Preparation and Phytotoxicity Evaluation of 11,13-Dehydro <i>seco</i>-Guaianolides.","Journal of natural products","2019","82","9","2501","2508","10.1021/acs.jnatprod.9b00285","","","0.71073","MoKα","","0.0205","0.0185","","","0.0422","0.0425","","","","","","1.003","","","","has coordinates","222237","2020-10-21","18:00:00",""
"1552712","7.3973","0.0005","11.0738","0.0008","12.082","0.0009","69.81","0.001","77.629","0.001","77.212","0.001","895.52","0.11","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C40 H40 O10 -","2","2","","Paguigan, Noemi D.; Rivera-Chávez, José; Stempin, Justin J.; Augustinović, Mario; Noras, Aleksandra I.; Raja, Huzefa A.; Todd, Daniel A.; Triplett, Kathleen D.; Day, Cynthia; Figueroa, Mario; Hall, Pamela R.; Cech, Nadja B.; Oberlies, Nicholas H.","Prenylated Diresorcinols Inhibit Bacterial Quorum Sensing.","Journal of natural products","2019","82","3","550","558","10.1021/acs.jnatprod.8b00925","","","0.71073","MoKα","","0.0607","0.0463","","","0.1151","0.123","","","","","","1.04","","","","has coordinates","222238","2020-10-21","18:00:00",""
"1552723","8.3193","0.0003","16.3409","0.0006","9.4115","0.0004","90","","113.866","0.002","90","","1170.04","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Philip, Abbey M.; Gudem, Mahesh; Sebastian, Ebin; Hariharan, Mahesh","Decoding the Curious Tale of Atypical Intersystem Crossing Dynamics in Regioisomeric Acetylanthracenes.","The journal of physical chemistry. A","2019","123","29","6105","6112","10.1021/acs.jpca.9b00766","","","0.71073","MoKα","","0.0575","0.0381","","","0.0975","0.1111","","","","","","1.025","","","","has coordinates","223156","2020-10-21","18:00:00",""
"1552724","13.6994","0.0002","18.2829","0.0004","20.3552","0.0003","115.988","0.001","92.951","0.001","108.684","0.001","4229.62","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H18 F3 I3 N O P -","- C26 H18 F3 I3 N O P -","- C156 H108 F18 I18 N6 O6 P6 -","6","3","","Xu, Yijue; Gabidullin, Bulat; Bryce, David L.","Single-Crystal NMR Characterization of Halogen Bonds.","The journal of physical chemistry. A","2019","123","29","6194","6209","10.1021/acs.jpca.9b03587","","","0.71073","MoKα","","0.0983","0.0427","","","0.0904","0.1179","","","","","","0.975","","","","has coordinates","223157","2020-10-21","18:00:00",""
"1552725","4.5247","0.0003","9.3311","0.0007","10.6259","0.0008","65.332","0.002","81.052","0.003","85.766","0.003","402.71","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 I2 N2 O -","- C4 H4 I2 N2 O -","- C8 H8 I4 N4 O2 -","2","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0389","0.0327","","","0.091","0.0951","","","","","","1.095","","","","has coordinates","223158","2020-10-21","18:00:00",""
"1552726","8.1349","0.001","8.1507","0.0009","8.5804","0.0011","105.23","0.003","115.097","0.003","98.513","0.003","474.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 I2 N O -","- C6 H7 I2 N O -","- C12 H14 I4 N2 O2 -","2","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0426","0.0357","","","0.0884","0.093","","","","","","1.039","","","","has coordinates","223159","2020-10-21","18:00:00",""
"1552727","10.2279","0.0011","12.2184","0.0012","12.5067","0.0013","112.438","0.003","101.82","0.004","98.066","0.004","1372.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Cl I2 N O -","- C13 H8 Cl I2 N O -","- C52 H32 Cl4 I8 N4 O4 -","4","2","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0581","0.0326","","","0.0795","0.0857","","","","","","1.023","","","","has coordinates","223160","2020-10-21","18:00:00",""
"1552728","8.2601","0.0008","8.6523","0.0007","13.4871","0.0014","90","","95.264","0.004","90","","959.84","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 I2 N O -","- C6 H7 I2 N O -","- C24 H28 I8 N4 O4 -","4","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0494","0.0391","","","0.1029","0.1082","","","","","","1.077","","","","has coordinates","223161","2020-10-21","18:00:00",""
"1552729","4.4017","0.0005","19.811","0.003","11.9038","0.0011","90","","95.818","0.004","90","","1032.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 I2 N2 O -","- C8 H6 I2 N2 O -","- C32 H24 I8 N8 O4 -","4","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0422","0.0263","","","0.0474","0.0512","","","","","","1.093","","","","has coordinates","223162","2020-10-21","18:00:00",""
"1552730","8.2802","0.0005","8.425","0.0005","9.0335","0.0005","87.808","0.002","71.668","0.002","67.28","0.002","549.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 I2 N2 O -","- C7 H10 I2 N2 O -","- C14 H20 I4 N4 O2 -","2","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0489","0.0264","","","0.0399","0.0441","","","","","","1.032","","","","has coordinates","223163","2020-10-21","18:00:00",""
"1552731","13.9644","0.0015","8.6246","0.0009","14.0947","0.0015","90","","117.997","0.002","90","","1498.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl2 N4 Pt -","- C30 H44 Cl2 N4 Pt -","- C60 H88 Cl4 N8 Pt2 -","2","0.5","","Bullock, James D.; Valandro, Silvano R.; Sulicz, Amanda N.; Zeman, 4th, Charles J; Abboud, Khalil A.; Schanze, Kirk S.","Blue Phosphorescent <i>trans</i>-N-Heterocyclic Carbene Platinum Acetylides: Dependence on Energy Gap and Conformation.","The journal of physical chemistry. A","2019","123","42","9069","9078","10.1021/acs.jpca.9b07079","","","0.71073","MoKα","","0.0164","0.012","","","0.0318","0.0335","","","","","","1.09","","","","has coordinates","223164","2020-10-21","18:00:00",""
"1552732","3.7157","0.0002","5.5117","0.0002","16.3825","0.0006","90","","93.399","0.004","90","","334.92","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,5-dihydroxyterephthalaldehyde","2,5-dihydroxybenzene-1,4-dicarbaaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","0.5","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0349","0.0329","","","0.0911","0.0936","","","","","","1.036","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552733","7.4756","0.0004","8.2973","0.0005","11.9343","0.0007","78.758","0.005","76.136","0.005","84.789","0.005","704.14","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","4,6-dihydroxyisophthalaldehyde","4,6-dihydroxybenzene-1,3-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","2","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54178","CuKα","","0.0337","0.032","","","0.0885","0.0907","","","","","","1.05","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552734","4.7435","0.0001","12.9275","0.0002","22.1367","0.0004","90","","90","","90","","1357.46","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-dihydroxyterephthalaldehyde","2,3-dihydroxybenzene-1,4-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C64 H48 O32 -","8","2","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0294","0.0283","","","0.0738","0.0748","","","","","","1.05","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552735","3.807","0.0001","7.3986","0.0002","12.547","0.0004","90","","95.445","0.003","90","","351.81","0.017","250","2","250","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,6-dihydroxyphthalaldehyde","3,6-dihydroxybenzene-1,2-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","1","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0372","0.0339","","","0.094","0.0976","","","","","","1.059","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552736","15.5165","0.0018","3.7812","0.0001","16.046","0.003","90","","102.91","0.02","90","","917.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,5-bis(methoxymethoxy)naphthalene-2,6-dicarboxaldehyde","","- C12 H8 O4 -","- C12 H8 O4 -","- C48 H32 O16 -","4","1","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","","1.5418","CuKα","","0.0449","0.0436","","","0.1187","0.1196","","","","","","1.058","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552737","11.4722","0.0001","11.9239","0.0002","12.9872","0.0002","82.0691","0.0008","84.5147","0.0008","80.9008","0.0008","1732.48","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H32.5 Cl O2 -","- C48 H32.5 Cl O2 -","- C96 H65 Cl2 O4 -","2","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.056","0.0438","","","0.1128","0.121","","","","","","1.068","","","","has coordinates,has disorder","223166","2020-10-21","18:00:00",""
"1552738","16.4701","0.0004","10.2654","0.0003","19.1679","0.0005","90","","93.01","0.0015","90","","3236.29","0.15","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Si2 -","- C40 H36 Si2 -","- C160 H144 Si8 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.0599","0.0406","","","0.1037","0.1162","","","","","","1.083","","","","has coordinates","223167","2020-10-21","18:00:00",""
"1552739","5.936","0.0002","17.1042","0.0006","30.6034","0.0013","90","","90","","90","","3107.2","0.2","90","0.2","90","0.2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H32 S2 Si2 -","- C36 H32 S2 Si2 -","- C144 H128 S8 Si8 -","4","0.5","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.1005","0.0604","","","0.1506","0.1781","","","","","","1.053","","","","has coordinates,has disorder","223168","2020-10-21","18:00:00",""
"1552740","5.706","0.0001","24.2192","0.0007","21.9739","0.0007","90","","96.192","0.002","90","","3018.96","0.14","90","0.2","90","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 -","- C46 H28 -","- C184 H112 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.0976","0.0525","","","0.1216","0.1461","","","","","","1.042","","","","has coordinates","223169","2020-10-21","18:00:00",""
"1552741","12.3334","0.0003","18.6789","0.0004","15.4407","0.0003","90","","112.638","0.001","90","","3283.09","0.13","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 O2 Si2 -","- C40 H36 O2 Si2 -","- C160 H144 O8 Si8 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.0601","0.0434","","","0.1111","0.1216","","","","","","1.103","","","","has coordinates","223170","2020-10-21","18:00:00",""
"1552742","18.9506","0.0003","5.3187","0.0001","33.0475","0.0007","90","","91.961","0.001","90","","3328.99","0.11","90","0.2","90","0.2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C50 H28 -","- C50 H28 -","- C200 H112 -","4","0.5","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.0534","0.0395","","","0.1006","0.1091","","","","","","1.026","","","","has coordinates","223171","2020-10-21","18:00:00",""
"1552743","12.1794","0.0003","18.7124","0.0004","15.1146","0.0003","90","","113.338","0.0012","90","","3162.87","0.12","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O2 S2 Si2 -","- C36 H32 O2 S2 Si2 -","- C144 H128 O8 S8 Si8 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.0764","0.0515","","","0.1261","0.1383","","","","","","1.039","","","","has coordinates,has disorder","223172","2020-10-21","18:00:00",""
"1552744","9.9256","0.0006","19.9181","0.0012","18.5817","0.0012","90","","104.22","0.002","90","","3561","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 B O -","- C47 H37 B O -","- C188 H148 B4 O4 -","4","1","","Santos, Willy G.; Budkina, Darya S.; Santagneli, Silvia H.; Tarnovsky, Alexander N.; Zukerman-Schpector, Julio; Ribeiro, Sidney J. L.","Ion-Pair Complexes of Pyrylium and Tetraarylborate as New Host-Guest Dyes: Photoinduced Electron Transfer Promoting Radical Polymerization.","The journal of physical chemistry. A","2019","123","34","7374","7383","10.1021/acs.jpca.9b03581","","","0.71073","MoKα","","0.0901","0.0542","","","0.1428","0.1645","","","","","","1.083","","","","has coordinates","223173","2020-10-21","18:00:00",""
"1552745","5.1369","0.0003","8.324","0.0006","19.8365","0.001","90.74","0.005","94.177","0.004","96.566","0.005","840.2","0.09","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 I2 N2 O -","- C14 H13 I2 N2 O -","- C28 H26 I4 N4 O2 -","2","1","","Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.","Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals","Macromolecules","2019","52","22","8563","","10.1021/acs.macromol.9b00960","","x-ray","0.71073","MoKα","","0.1048","0.0485","","","","0.1405","","","","","","1.0279","","","","has coordinates","246584","2020-10-21","18:00:00",""
"1552746","4.891","0.0002","8.2349","0.0006","20.7211","0.0015","90.726","0.006","96.62","0.005","90.949","0.005","828.81","0.09","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 I4 N4 O2 -","- C28 H26 I4 N4 O2 -","- C28 H26 I4 N4 O2 -","1","0.5","","Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.","Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals","Macromolecules","2019","52","22","8563","","10.1021/acs.macromol.9b00960","","x-ray","0.71073","MoKα","","0.1384","0.0866","","","0.209","0.2419","","","","","","1.0394","","","","has coordinates","246584","2020-10-21","18:00:00",""
"1552747","5.144","0.005","14.442","0.005","26.48","0.005","90","0.005","92.445","0.005","90","0.005","1965","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C8I2nitrilecocrystal","","","- C36 H32 I4 N6 O2 -","- C36 H32 I4 N6 O2 -","- C72 H64 I8 N12 O4 -","2","0.5","","Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.","Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals","Macromolecules","2019","52","22","8563","","10.1021/acs.macromol.9b00960","","","0.71069","MoKα","","0.0323","0.0275","","","0.0529","0.0547","","","","","","1.124","","","","has coordinates","246584","2020-10-21","18:00:00",""
"1552751","7.77446","0.00008","13.53787","0.00011","20.2762","0.0002","90","","90","","90","","2134.06","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N O2 -","- C25 H41 N O2 -","- C100 H164 N4 O8 -","4","1","","Xiang, Zhi-Nan; Yi, Wen-Qin; Wang, Yong-Long; Shao, Li-Dong; Zhang, Cheng-Qi; Yuan, Yan; Pan, Jun; Wan, Luo-Sheng; Chen, Jia-Chun","Buxaustroines A-N, a Series of 17(13\ρightarrow 18)<i>abeo</i>-Cycloartenol Triterpenoidal Alkaloids from <i>Buxus austro-yunnanensis</i> and Their Cardioprotective Activities.","Journal of natural products","2019","82","11","3111","3120","10.1021/acs.jnatprod.9b00652","","x-ray","1.54184","CuKα","","0.0338","0.0337","","","0.0883","0.0884","","","","","","1.065","","","","has coordinates","246569","2020-10-21","18:00:00",""
"1552752","10.6161","0.001","15.1085","0.0013","16.911","0.0014","90.103","0.003","94.853","0.002","105.573","0.002","2602.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 F18 N12 P3 Ru2 -","- C50 H39 F18 N12 P3 Ru2 -","- C100 H78 F36 N24 P6 Ru4 -","2","1","","Hennessey, Seán; Farras Costa, Pau; Benet-Buchholz, Jordi; Llobet, Antoni","A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven Oxidation Reactions","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01796H","","","0.71073","MoKα","","0.0584","0.0392","","","0.0863","0.0953","","","","","","1.02","","","","has coordinates,has disorder","223381","2020-10-21","18:00:00",""
"1552753","12.918","0.0004","13.831","0.0004","17.552","0.0006","92.997","0.0019","100.953","0.002","105.668","0.0018","2946.61","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42 Cl F12 N11 O P2 Ru2 -","- C51 H42 Cl F12 N11 O P2 Ru2 -","- C102 H84 Cl2 F24 N22 O2 P4 Ru4 -","2","1","","Hennessey, Seán; Farras Costa, Pau; Benet-Buchholz, Jordi; Llobet, Antoni","A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven Oxidation Reactions","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01796H","","","0.71073","MoKα","","0.1404","0.0771","","","0.2103","0.2549","","","","","","1.064","","","","has coordinates,has disorder","223381","2020-10-21","18:00:00",""
"1552755","13.5698","0.0013","29.244","0.003","16.5759","0.0017","90","","105.764","0.002","90","","6330.5","1.1","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 F6 Ir N6 O P2 Sb -","- C57 H52 F6 Ir N6 O P2 Sb -","- C228 H208 F24 Ir4 N24 O4 P8 Sb4 -","4","1","","Wang, Xiuxiu; Zhang, Jingyi; Zhao, Xinyang; Wei, Wei; Zhao, Jing","Imaging and proteomic study of a clickable iridium complex.","Metallomics : integrated biometal science","2019","11","8","1344","1352","10.1039/c9mt00134d","","","0.71073","MoKα","","0.1005","0.0684","","","0.1693","0.1825","","","","","","1.059","","","","has coordinates,has disorder","223392","2020-10-21","18:00:00",""
"1552756","10.3724","0.0004","11.1647","0.0005","14.1562","0.0005","85.454","0.003","71.125","0.004","74.999","0.004","1498.32","0.11","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","","- C30 H29 F6 O3 P2 -","- C30 H29 F6 O3 P2 -","- C60 H58 F12 O6 P4 -","2","1","BV4025","Traver, Joseph R.; Guillet, Gary L.; Hillesheim, Patrick C.","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","IUCrData","2019","4","11","x191478","","10.1107/S2414314619014780","","","0.71073","MoKα","","0.1374","0.0644","","","0.1604","0.2119","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","223402","2020-10-21","18:00:00",""
"1552757","6.0338","0.0003","12.9814","0.0006","11.489","0.0005","90","","91.185","0.004","90","","899.71","0.07","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-nitrobenzyl)piperazine","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","HB4325","Crundwell, Hugh I.; Grimmett, Rhiannon I.; Crundwell, Guy; Westcott, Barry L.","1,4-Bis(2-nitrobenzyl)piperazine","IUCrData","2019","4","11","","","10.1107/S2414314619014688","","x-ray","0.71073","MoKα","","0.0809","0.0559","","","0.1377","0.1532","","","","","","1.031","","","","has coordinates,has Fobs","223403","2020-10-21","18:00:00",""
"1552758","16.404","0.008","5.345","0.003","38.959","0.018","90","","96.154","0.01","90","","3396","3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Uridine nucleolipids","","- C33 H56 N2 O8 -","- C33 H56 N2 O8 -","- C132 H224 N8 O32 -","4","1","","Nuthanakanti, Ashok; Walunj, Manisha B.; Torris, Arun; Badiger, Manohar V.; Srivatsan, Seergazhi G.","Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process.","Nanoscale","2019","11","24","11956","11966","10.1039/c9nr01863h","","","0.71073","MoKα","","0.0745","0.0619","","","0.1527","0.163","","","","","","1.117","","","","has coordinates","223404","2020-10-21","18:00:00",""
"1552759","83.98","0.04","7.173","0.004","7.066","0.003","90","","94.66","0.02","90","","4242","4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","nucleolipid","uridine dimyristirate","","- C37 H64 N2 O8 -","- C37 H64 N2 O8 -","- C148 H256 N8 O32 -","4","1","","Nuthanakanti, Ashok; Walunj, Manisha B.; Torris, Arun; Badiger, Manohar V.; Srivatsan, Seergazhi G.","Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process.","Nanoscale","2019","11","24","11956","11966","10.1039/c9nr01863h","","","0.71073","MoKα","","0.2197","0.0833","","","0.1736","0.2163","","","","","","0.972","","","","has coordinates","223404","2020-10-21","18:00:00",""
"1552760","19.9658","0.0006","20.2722","0.0014","20.4027","0.0012","60.809","0.007","70.785","0.004","78.996","0.004","6803","0.8","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C148 H194 Ag44 O84 S38 V10 -","- C148 H194 Ag44 O84 S38 V10 -","- C148 H194 Ag44 O84 S38 V10 -","1","0.5","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","x-ray","0.71073","MoKα","","0.1256","0.0858","","","0.2125","0.2387","","","","","","1.024","","","","has coordinates,has disorder","223405","2020-10-21","18:00:00",""
"1552761","32.558","0.004","32.558","0.004","32.558","0.004","90","","90","","90","","34512","7","123","2","123","2","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C48 H120 Ag44 Cl12 Mo6 O19 S27 -","- C48 H120 Ag44 Cl12 Mo6 O19 S27 -","- C384 H960 Ag352 Cl96 Mo48 O152 S216 -","8","0.0416667","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","","0.71073","MoKα","","0.1002","0.0713","","","0.1746","0.2014","","","","","","1.104","","","","has coordinates","223405","2020-10-21","18:00:00",""
"1552762","25.751","0.0015","30.6808","0.0017","19.5302","0.0011","90","","126.577","0.0006","90","","12391.3","1.2","123","2","123","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C137 H190 Ag46 O76 S38 V10 -","- C137 H190 Ag46 O76 S38 V10 -","- C274 H380 Ag92 O152 S76 V20 -","2","0.5","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","","0.71073","MoKα","","0.0663","0.0591","","","0.1593","0.1672","","","","","","1.026","","","","has coordinates,has disorder","223405","2020-10-21","18:00:00",""
"1552763","20.2681","0.0016","20.2681","0.0016","7.1102","0.0008","90","","90","","90","","2920.8","0.5","180.15","","180.15","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H28 O4 S4 -","- C33 H28 O4 S4 -","- C132 H112 O16 S16 -","4","0.25","","Šebera, Jakub; Lindner, Marcin; Gasior, Jindřich; Mészáros, Gábor; Fuhr, Olaf; Mayor, Marcel; Valášek, Michal; Kolivoška, Viliam; Hromadová, Magdaléna","Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design.","Nanoscale","2019","11","27","12959","12964","10.1039/c9nr04071d","","x-ray","0.71073","MoKα","","0.0375","0.0294","","","0.0764","0.0796","","","","","","1.066","","","","has coordinates","223406","2020-10-21","18:00:00",""
"1552764","10.649","0.004","14.86","0.007","32.973","0.012","90","","90","","90","","5218","4","100","","99.96","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H57 B2 F8 N3 O P2 Pd -","- C58 H57 B2 F8 N3 O P2 Pd -","- C232 H228 B8 F32 N12 O4 P8 Pd4 -","4","1","","Chen, Zhongxiang; Yang, Mingxue; Sun, Zhaofeng; Zhang, Xuebo; Xu, Jing; Bian, Guangling; Song, Ling","Chiral Discrimination by A Binuclear Pd Complex Sensor using <sup>31</sup>P{<sup>1</sup>H} NMR.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b03661","","","0.71073","MoKα","","0.0513","0.0404","","","0.0769","0.0815","","","","","","1.038","","","","has coordinates,has disorder","223427","2020-10-21","18:00:00",""
"1552765","10.9362","0.0004","20.2513","0.001","27.0124","0.0015","90","","90","","90","","5982.5","0.5","100","0.11","100","0.11","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C66 H55 B Cl2 F4 N O P2 Pd -","- C66 H54 B Cl2 F4 N O P2 Pd -","- C264 H216 B4 Cl8 F16 N4 O4 P8 Pd4 -","4","1","","Chen, Zhongxiang; Yang, Mingxue; Sun, Zhaofeng; Zhang, Xuebo; Xu, Jing; Bian, Guangling; Song, Ling","Chiral Discrimination by A Binuclear Pd Complex Sensor using <sup>31</sup>P{<sup>1</sup>H} NMR.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b03661","","x-ray","1.3405","GaKα","","0.1061","0.1045","","","0.2019","0.203","","","","","","1.141","","","","has coordinates","223428","2020-10-21","18:00:00",""
"1552773","14.1365","0.0013","13.2077","0.0012","8.8865","0.0008","90","","126.365","0.003","90","","1336.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ca Cu O11 -","- C10 H8 Ca Cu O11 -","- C40 H32 Ca4 Cu4 O44 -","4","0.5","","MENG, Gaoxiang; LI, Qiang; YANG, Yongming","Crystal Structure of Catena-((μ<sub>8</sub>-benzene-1,2,4,5-tetracarboxylato)-triaqua-calcium(II)-copper(II))","X-ray Structure Analysis Online","2019","35","0","49","","10.2116/xraystruct.35.49","","","0.71073","MoKα","","0.084","0.0779","","","0.1637","0.1666","","","","","","1.086","","","","has coordinates","225370","2020-10-21","18:00:00",""
"1552774","25.0091","0.0004","5.39364","0.0001","9.37759","0.00019","90","","90","","90","","1264.94","0.04","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H20 Cl N S2 -","- C8 H20 Cl N S2 -","- C32 H80 Cl4 N4 S8 -","4","0.5","","TOYAMA, Mari; CHAYAMA, Kenji","Crystal Structure of 6-Aza-3,9-dithiaundecane Hydrochloride","X-ray Structure Analysis Online","2019","35","0","55","","10.2116/xraystruct.35.55","","","1.54187","CuKα","","0.0341","0.0313","","","0.0849","0.088","","","","","","1.058","","","","has coordinates","225372","2020-10-21","18:00:00",""
"1552775","24.879","0.003","6.868","0.002","26.068","0.004","90","","110.49","0.02","90","","4172.4","1.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C216 H144 N48 O24 -","12","3","","GUILLON, Jean; PEREIRA-ROSENFELD, Maria De Fatima; PINAUD, Noël; BESSON, Thierry; THIÉRY, Valérie; PICOT, Laurent; MARCHIVIE, Mathieu","Crystal Structure of 6,7-Dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione","X-ray Structure Analysis Online","2019","35","0","57","","10.2116/xraystruct.35.57","","x-ray","1.5418","CuKα","","0.142","0.1353","","","0.1898","0.1935","","","","","","1.056","","","","has coordinates","225373","2020-10-21","18:00:00",""
"1552776","8.064","0.006","13.48","0.003","13.573","0.005","113.528","0.015","104.24","0.03","100.46","0.03","1244.5","1.1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H36 Ag6 N6 S6 -","- C54 H36 Ag6 N6 S6 -","- C54 H36 Ag6 N6 S6 -","1","0.5","","OZAWA, Yoshiki; MASUNAGA, Azusa; KUBO, Masahiro; YASUDA, Nobuhiro; TORIUMI, Koshiro","Crystal Structure of Hexakis(quinoline-2-thiolatosilver(I))","X-ray Structure Analysis Online","2019","35","0","51","","10.2116/xraystruct.35.51","","x-ray","0.83073","synchrotron","","0.0437","0.0324","","","0.075","0.0889","","","","","","1.116","","","","has coordinates","225374","2020-10-21","18:00:00",""
"1552777","11.2466","0.0007","17.3553","0.001","13.7027","0.0009","90","","100.501","0.002","90","","2629.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 Pt -","- C28 H28 Cl2 N4 Pt -","- C112 H112 Cl8 N16 Pt4 -","4","1","","KIWADA, Tatsuto; TAKAYAMA, Hiroshi; KATAKASU, Hiromu; ODANI, Akira","Crystal Structure of [<i>N</i>-(9-Anthracenylmethyl)-1,3-propanediamine](2,2′-bipyridine)platinum(II) Chloride","X-ray Structure Analysis Online","2019","35","0","39","","10.2116/xraystruct.35.39","","","0.71075","MoKα","","0.0328","0.0271","","","0.06","0.0619","","","","","","1.085","","","","has coordinates","225375","2020-10-21","18:00:00",""
"1552778","24.96","0.0009","11.1533","0.0003","20.0575","0.0006","90","","109.439","0.004","90","","5265.4","0.3","100.15","","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 B2 Co2 F10 N8 O2 -","- C57 H58 B2 Co2 F10 N8 O2 -","- C228 H232 B8 Co8 F40 N32 O8 -","4","0.5","","MIBU, Takuto; SUENAGA, Yusaku; OKUBO, Takashi; MAEKAWA, Masahiko; KURODA-SOWA, Takayoshi","Crystal Structure of a Dinuclear Co Complex with Doubly Bridged Fluorides: Di-μ-fluoride Bis{(2-pyridylmethyl)bis(2-quinolylmethyl)amine} Dicobalt(II) Bis(tetrafluoroborate), [Co<sub>2</sub>(μ-F)<sub>2</sub>(pbqa)<sub>2</sub>](BF<sub>4</sub>)<sub>2</sub>","X-ray Structure Analysis Online","2019","35","0","61","","10.2116/xraystruct.35.61","","x-ray","0.71073","MoKα","","0.0451","0.0403","","","0.0998","0.1018","","","","","","1.131","","","","has coordinates,has disorder","225376","2020-10-21","18:00:00",""
"1552779","8.279","0.003","10.673","0.005","10.696","0.004","64.7","0.03","95.76","0.03","91.17","0.04","849.9","0.6","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H29 Cl2 Co N5 O S -","- C10 H29 Cl2 Co N5 O S -","- C20 H58 Cl4 Co2 N10 O2 S2 -","2","1","","KUROGI, Chika; YONEMURA, Toshiaki","Crystal Structure of a Co(III) Complex with 2-Aminoethanethiol and Triethylenetetramine","X-ray Structure Analysis Online","2019","35","0","43","","10.2116/xraystruct.35.43","","","0.71069","MoKα","","0.0402","0.0385","","","0.1131","0.1145","","","","","","1.096","","","","has coordinates","225377","2020-10-21","18:00:00",""
"1552780","15.29","0.003","6.5298","0.0014","27.551","0.006","90","","105.054","0.013","90","","2656.3","1","173.1","","173.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin","X-ray Structure Analysis Online","2019","35","0","47","","10.2116/xraystruct.35.47","","","1.54187","CuKα","","","0.0591","","","","0.1864","","","","","","1.101","","","","has coordinates","225378","2020-10-21","18:00:00",""
"1552804","12.5454","0.0013","24.231","0.003","22.154","0.002","90","","94.923","0.003","90","","6709.7","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H62 N16 O3 Si4 -","- C76 H62 N16 O3 Si4 -","- C304 H248 N64 O12 Si16 -","4","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","","0.1901","0.1147","","","0.2869","0.3485","","","","","","1.024","","","","has coordinates","227437","2020-10-21","18:00:00",""
"1552805","13.7746","0.0012","16.2985","0.0015","21.2476","0.0018","75.374","0.003","84.152","0.003","87.724","0.003","4591.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H118 N16 O3 Si4 -","- C104 H118 N16 O3 Si4 -","- C208 H236 N32 O6 Si8 -","2","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","0.71073","MoKα","","0.1543","0.0926","","","0.2368","0.2764","","","","","","1.022","","","","has coordinates,has disorder","227438","2020-10-21","18:00:00",""
"1552806","26.352","0.005","13.764","0.003","24.745","0.005","90","0.03","130.07","0.03","90","0.03","6868","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H70 N16 O3 Si4 -","- C80 H70 N16 O3 Si4 -","- C320 H280 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","","0.1684","0.0968","","","0.2401","0.2945","","","","","","1.031","","","","has coordinates","227439","2020-10-21","18:00:00",""
"1552807","18.5232","0.0011","18.343","0.001","25.6005","0.0013","90","","99.368","0.004","90","","8582.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H70 Cl4 N16 O3 Si4 -","- C104 H70 Cl4 N16 O3 Si4 -","- C416 H280 Cl16 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","1.54178","CuKα","","0.0605","0.0457","","","0.122","0.1323","","","","","","1.033","","","","has coordinates","227440","2020-10-21","18:00:00",""
"1552808","13.076","0.003","23.344","0.006","23.162","0.005","90","","90.104","0.011","90","","7070","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 N16 O3 Si4 -","- C82 H74 N16 O3 Si4 -","- C328 H296 N64 O12 Si16 -","4","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","0.71073","MoKα","","0.0834","0.0548","","","0.1303","0.1543","","","","","","1.035","","","","has coordinates","227441","2020-10-21","18:00:00",""
"1552809","17.2401","0.0011","19.3123","0.0016","41.135","0.003","90","","90","","90","","13695.7","1.7","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H58 N16 O3 Si4 -","- C77 H58 N16 O3 Si4 -","- C616 H464 N128 O24 Si32 -","8","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","1.54178","CuKα","","0.1227","0.0918","","","0.1962","0.208","","","","","","1.127","","","","has coordinates","227442","2020-10-21","18:00:00",""
"1552810","22.589","0.004","13.581","0.003","23.268","0.006","90","","113.211","0.005","90","","6560","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H62 N16 O3 Si4 -","- C76 H62 N16 O3 Si4 -","- C304 H248 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","","0.0804","0.0492","","","0.1209","0.1414","","","","","","1.004","","","","has coordinates","227443","2020-10-21","18:00:00",""
"1552811","13.7795","0.0013","22.43","0.002","26.079","0.002","77.793","0.003","81.704","0.003","76.746","0.003","7629.3","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H86 N16 O3 Si4 -","- C88 H86 N16 O3 Si4 -","- C352 H344 N64 O12 Si16 -","4","2","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","K-L~3~","0.1081","0.0671","","","0.1496","0.1737","","","","","","1.054","","","","has coordinates,has disorder","227444","2020-10-21","18:00:00",""
"1552812","14.531","0.003","19.058","0.004","23.065","0.005","90","0.03","99.2","0.03","90","0.03","6305","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 N16 O3 Si4 -","- C74 H58 N16 O3 Si4 -","- C296 H232 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","1.54184","CuKα","","0.0475","0.0458","","","0.1241","0.1258","","","","","","1.042","","","","has coordinates","227445","2020-10-21","18:00:00",""
"1552813","12.5819","0.0004","28.9066","0.0009","21.881","0.0008","90","","99.664","0.002","90","","7845.2","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H86 N16 O3 Si4 -","- C88 H86 N16 O3 Si4 -","- C352 H344 N64 O12 Si16 -","4","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","0.71073","MoKα","","0.1135","0.0721","","","0.1684","0.2012","","","","","","1.027","","","","has coordinates","227446","2020-10-21","18:00:00",""
"1552857","10.5358","0.001","12.5714","0.0012","15.0206","0.0014","101.715","0.002","107.958","0.002","109.766","0.002","1672.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N2 O2 -","- C43 H38 N2 O2 -","- C86 H76 N4 O4 -","2","1","","Cao, Yang; Li, Yunlong; Morrissey, Thomas; Lam, Brian; Patrick, Brian O.; Dvorak, David; Xia, Zhicheng; Kelly, Timothy L.; Berlinguette, Curtis P.","Dopant-free molecular hole transport material that mediates a 20% power conversion efficiency in a perovskite solar cell","Energy & Environmental Science","2019","","","","","10.1039/C9EE02983D","","x-ray","0.71073","MoKα","","0.0689","0.0522","","","0.1356","0.1478","","","","","","1.031","","","","has coordinates,has disorder","227644","2020-10-21","18:00:00",""
"1552861","7.1661","0.0003","15.084","0.0006","19.1836","0.0009","90","","103.732","0.004","90","","2014.35","0.15","103","2","103","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H80 Cl16 N16 O16 Zn4 -","- C56 H80 Cl16 N16 O16 Zn4 -","- C56 H80 Cl16 N16 O16 Zn4 -","1","0.25","","Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b09239","","","0.71073","MoKα","","0.1148","0.1021","","","0.2082","0.2102","","","","","","1.052","","","","has coordinates,has disorder","227682","2020-10-21","18:00:00",""
"1552862","19.0387","0.0013","15.0913","0.0009","7.2869","0.0005","90","","96.822","0.006","90","","2078.8","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl4 D6 N4 O4 Zn -","- C14 H16 Cl4 D6 N4 O4 Zn -","- C56 H64 Cl16 D24 N16 O16 Zn4 -","4","0.5","","Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b09239","","","0.71073","MoKα","","0.0472","0.0413","","","0.1294","0.1331","","","","","","1.081","","","","has coordinates","227683","2020-10-21","18:00:00",""
"1552863","19.0472","0.0008","15.0384","0.0006","7.2585","0.0004","90","","96.774","0.004","90","","2064.61","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 N4 O4 Zn -","- C14 H22 Cl4 N4 O4 Zn -","- C56 H88 Cl16 N16 O16 Zn4 -","4","0.5","","Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b09239","","","0.71073","MoKα","","0.095","0.0889","","","0.2471","0.2503","","","","","","1.015","","","","has coordinates","227684","2020-10-21","18:00:00",""
"1552864","8.3495","0.0008","12.5138","0.0011","18.6631","0.0017","90","","100.902","0.003","90","","1914.8","0.3","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium} but-2-enedioate tetrahydrate","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","FF4032","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate","IUCrData","2019","4","11","x191469","","10.1107/S241431461901469X","","","0.71073","MoKα","","0.0694","0.0464","","","0.1123","0.1275","","","","","","1.052","","","","has coordinates,has Fobs","227697","2020-10-21","18:00:00",""
"1552865","15.0751","0.0006","7.6891","0.0004","20.7891","0.0009","90","","90","","90","","2409.75","0.19","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C96 H88 N24 O16 S8 -","8","1","IS5524","Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","IUCrData","2019","4","11","x191501","","10.1107/S2414314619015013","","","0.71073","MoKα","","0.0779","0.0628","","","0.1611","0.1728","","","","","","1.071","","","","has coordinates,has Fobs","227698","2020-10-21","18:00:00",""
"1552866","17.5516","0.0007","12.9246","0.0002","17.7238","0.0007","90","","93.431","0.004","90","","4013.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Au Cl N2 P3 -","- C46 H41 Au Cl N2 P3 -","- C184 H164 Au4 Cl4 N8 P12 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0347","0.0294","","","0.074","0.0784","","","","","","1.034","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552867","10.8276","0.0002","33.9018","0.0004","11.4594","0.0002","90","","113.03","0.002","90","","3871.21","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Au Cl N2 P3 -","- C44 H39 Au Cl N2 P3 -","- C176 H156 Au4 Cl4 N8 P12 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0299","0.0279","","","0.0619","0.0627","","","","","","1.119","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552868","10.3342","0.0002","22.3144","0.0011","17.0157","0.0003","90","","92.007","0.002","90","","3921.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H37 Cl2 N2 P3 -","- C47 H37 Cl2 N2 P3 -","- C188 H148 Cl8 N8 P12 -","4","2","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0325","0.0309","","","0.0796","0.0806","","","","","","1.024","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552869","12.5994","0.0008","13.2954","0.0008","13.5256","0.0008","70.09","0.005","84.549","0.005","78.391","0.005","2085.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 Au Cl3 N2 P3 -","- C47 H37 Au Cl3 N2 P3 -","- C94 H74 Au2 Cl6 N4 P6 -","2","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0255","0.0231","","","0.0585","0.0593","","","","","","1.11","","","","has coordinates,has disorder","227739","2020-10-21","18:00:00",""
"1552870","11.78322","0.00018","9.40736","0.00013","24.667","0.0004","90","","102.482","0.0016","90","","2669.68","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Au Cl N P2 -","- C28 H33 Au Cl N P2 -","- C112 H132 Au4 Cl4 N4 P8 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0234","0.0216","","","0.055","0.0563","","","","","","1.06","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552871","10.1896","0.0002","17.4204","0.0004","17.4304","0.0004","67.712","0.002","73.191","0.002","73.1212","0.0019","2682.92","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H72 N2 P4 -","- C62 H72 N2 P4 -","- C124 H144 N4 P8 -","2","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0411","0.0393","","","0.1022","0.1038","","","","","","1.049","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552872","35.1836","0.0007","35.1836","0.0007","9.7068","0.0002","90","","90","","120","","10406.1","0.4","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C60 H45 N3 P4 -","- C60 H45 N3 P4 -","- C480 H360 N24 P32 -","8","1.33333","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0501","0.0426","","","0.1076","0.1112","","","","","","1.02","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552873","11.00739","0.00005","22.02102","0.00012","24.05162","0.00013","90","","102.989","0.0005","90","","5680.79","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Cl9 N2 O3 P3 Rh -","- C55 H51 Cl9 N2 O3 P3 Rh -","- C220 H204 Cl36 N8 O12 P12 Rh4 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0305","0.0295","","","0.0766","0.0772","","","","","","1.042","","","","has coordinates,has disorder","227739","2020-10-21","18:00:00",""
"1552874","9.8538","0.0003","22.9455","0.0007","17.3019","0.0006","90","","93.031","0.003","90","","3906.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 Cl2 N2 P3 -","- C45 H41 Cl2 N2 P3 -","- C180 H164 Cl8 N8 P12 -","4","1","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","","1.54184","CuKα","","0.0644","0.0434","","","0.1004","0.113","","","","","","1.014","","","","has coordinates","227739","2020-10-21","18:00:00",""
"1552875","10.2673","0.0011","12.11","0.002","19.82","0.002","103.947","0.012","99.881","0.009","100.687","0.011","2289","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 Cl10 N4 P6 -","- C97 H92 Cl10 N4 P6 -","- C97 H92 Cl10 N4 P6 -","1","0.5","","Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.","Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01861A","","x-ray","1.54184","CuKα","","0.0452","0.0366","","","0.0913","0.0966","","","","","","1.033","","","","has coordinates,has disorder","227739","2020-10-21","18:00:00",""
"1552887","7.2247","0.0007","8.2901","0.0006","12.9787","0.0014","94.973","0.007","93.331","0.008","98.458","0.007","764.01","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 B F2 N2 O -","- C20 H13 B F2 N2 O -","- C40 H26 B2 F4 N4 O2 -","2","1","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","x-ray","0.71073","MoKα","","0.0562","0.0414","","","0.1105","0.1198","","","","","","1.024","","","","has coordinates","227756","2020-10-21","18:00:00",""
"1552888","7.1941","0.0003","8.5967","0.0004","9.1402","0.0004","88.519","0.006","70.424","0.005","67.994","0.005","490.58","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 B F2 N2 O2 -","- C10 H7 B F2 N2 O2 -","- C20 H14 B2 F4 N4 O4 -","2","1","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","1.54187","CuKα","","0.0719","0.0665","","","0.194","0.2008","","","","","","1.015","","","","has coordinates","227756","2020-10-21","18:00:00",""
"1552889","7.2084","0.0002","10.4274","0.0004","17.7519","0.0006","90","","94.312","0.007","90","","1330.54","0.08","123","","123","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C64 H44 B4 F8 N8 O4 -","4","2","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","1.54187","CuKα","","0.0572","0.0451","","","0.0948","0.1035","","","","","","1.046","","","","has coordinates","227756","2020-10-21","18:00:00",""
"1552890","11.1853","0.0004","26.0241","0.0009","7.1318","0.0003","90","","105.872","0.008","90","","1996.83","0.15","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 B F2 N2 O2 -","- C10 H7 B F2 N2 O2 -","- C80 H56 B8 F16 N16 O16 -","8","2","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","1.54187","CuKα","","0.1658","0.0964","","","0.2376","0.2904","","","","","","1.022","","","","has coordinates","227756","2020-10-21","18:00:00",""
"1552891","7.3383","0.0003","11.6331","0.0005","12.4095","0.0005","83.136","0.006","79.631","0.006","83.755","0.006","1030.46","0.08","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H7 B F2 N2 O S -","- C10 H7 B F2 N2 O S -","- C40 H28 B4 F8 N8 O4 S4 -","4","2","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","1.54187","CuKα","","0.0647","0.0515","","","0.1323","0.1465","","","","","","1.084","","","","has coordinates","227756","2020-10-21","18:00:00",""
"1552892","15.855","0.005","13.112","0.004","4.9675","0.0014","90","","90","","90","","1032.7","0.5","123","","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C10 H7 B F2 N2 O S -","- C10 H7 B F2 N2 O S -","- C40 H28 B4 F8 N8 O4 S4 -","4","1","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","0.71075","MoKα","","0.0449","0.039","","","0.0724","0.0758","","","","","","1.115","","","","has coordinates,has disorder","227756","2020-10-21","18:00:00",""
"1552916","8.39","0.003","9.828","0.003","13.251","0.004","79.129","0.011","87.424","0.007","89.762","0.007","1071.9","0.6","293.15","","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H26 -","- C30 H26 -","- C60 H52 -","2","1","","Zhu, Wen-Sai; Han, Ya-Min; An, Xiang; Weng, Jie-Na; Yu, Meng-Na; Bai, Lu-Bing; Wei, Chuan-Xin; Lin, Jin-Yi; Liu, Wei; Ou, Chang-Jin; Xie, Ling-Hai; Ding, Xue-Hua; Zhao, Jian-Feng; Xu, Chun-Xiang; Huang, Wei","Highly Emissive Hierarchical Uniform Dialkylfluorene-Based Dimer Microcrystals for Ultraviolet Organic Laser","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b07895","","x-ray","0.71073","MoKα","","0.1248","0.0978","","","0.2525","0.2849","","","","","","1.039","","","","has coordinates","227851","2020-10-21","18:00:00",""
"1552919","8.18909","0.0001","29.7457","0.0005","15.1177","0.0003","90","","90.1069","0.0015","90","","3682.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl6 O10 -","- C31 H40 Cl6 O10 -","- C124 H160 Cl24 O40 -","4","2","","Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping","Antifungal Macrocyclic Trichothecenes from the Insect-Associated Fungus <i>Myrothecium roridum</i>.","Journal of agricultural and food chemistry","2019","67","47","13033","13039","10.1021/acs.jafc.9b04507","","x-ray","1.54184","CuKα","","0.0698","0.0619","","","0.1724","0.1832","","","","","","1.025","","","","has coordinates,has disorder","246568","2020-10-21","18:00:00",""
"1552920","9.9461","0.0004","12.151","0.0005","16.8171","0.0007","105.006","0.001","94.22","0.001","104.926","0.001","1875.34","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","2","HB4323","Cabezas, Jorge A.; Fernandez, Cristian Saul Campos","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","IUCrData","2019","4","11","x191526","","10.1107/S2414314619015268","","","0.71073","MoKα","","0.0494","0.0361","","","0.0861","0.0928","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","227947","2020-10-21","18:00:00",""
"1552921","16.3881","0.0012","4.6912","0.0003","22.4928","0.0018","90","","97.512","0.007","90","","1714.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","","- C8 H7 N2 O2.5 S -","- C8 H7 N2 O2.5 S -","- C64 H56 N16 O20 S8 -","8","1","WM4116","Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","IUCrData","2019","4","11","x191532","","10.1107/S2414314619015323","","","1.54184","CuKα","","0.0704","0.0429","","","0.0995","0.1167","","","","","","1.04","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1552922","10.994","0.002","19.344","0.004","8.4094","0.0017","90","","100.34","0.03","90","","1759.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 F2 N3 O -","- C18 H13 Cl2 F2 N3 O -","- C72 H52 Cl8 F8 N12 O4 -","4","1","","Yang, Dongyan; Zhao, Bin; Fan, Zhijin; Yu, Bin; Zhang, Nailou; Li, Zhengming; Zhu, Yilin; Zhou, Jinghui; Kalinina, Tatiana A.; Glukhareva, Tatiana V.","Synthesis and Biological Activity of Novel Succinate Dehydrogenase Inhibitor Derivatives as Potent Fungicide Candidates.","Journal of agricultural and food chemistry","2019","67","47","13185","13194","10.1021/acs.jafc.9b05751","","","0.71073","MoKα","","0.0923","0.0599","","","0.145","0.1903","","","","","","1.04","","","","has coordinates","246567","2020-10-21","18:00:00",""
"1552923","11.0507","0.0002","9.4788","0.0002","12.5781","0.0002","90","","103.987","0.001","90","","1278.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C60 H68 O12 -","2","1","","Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao","Psiguadiols A‒J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00333","","x-ray","1.54184","CuKα","","0.0375","0.0372","","","0.0932","0.0935","","","","","","1.123","","","","has coordinates","231000","2020-10-21","18:00:00",""
"1552924","6.4127","0.0004","17.8732","0.0012","22.4543","0.0014","90","","90","","90","","2573.6","0.3","100","0.1","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C120 H136 O24 -","4","2","","Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao","Psiguadiols A‒J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00333","","","1.54184","CuKα","","0.0842","0.0794","","","0.1902","0.1959","","","","","","1.075","","","","has coordinates","231001","2020-10-21","18:00:00",""
"1552925","19.9365","0.0007","8.3642","0.0004","16.95","0.0005","90","","106.413","0.004","90","","2711.28","0.19","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C120 H136 O24 -","4","1","","Hou, Ji-Qin; Fan, Chun-Lin; Pei, Xin; Zhang, Pei-Lin; Deng, Fan; Jiang, Wan-Qiang; Wang, Guo-Cai; Zhang, Xiao-Qi; Ye, Wen-Cai; Wang, Hao","Psiguadiols A‒J, Rearranged Meroterpenoids as Potent PTP1B Inhibitors from Psidium guajava","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00333","","","1.54178","CuKα","","0.0607","0.0595","","","0.1607","0.162","","","","","","1.066","","","","has coordinates","231002","2020-10-21","18:00:00",""
"1552935","7.157","0.0004","9.2077","0.0005","11.239","0.0006","90","","99.005","0.003","90","","731.52","0.07","220","","220","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","1","","Yin, Xin; Liu, Yan; Pan, Juan; Ye, Hong-Liang; Sun, Yan; Zhao, Dong-Ying; Kuang, Hai-Xue; Yang, Bing-You","Melongenaterpenes A–L, Vetispirane-Type Sesquiterpenoids from the Roots of Solanum melongena","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00206","","","1.54184","CuKα","","0.0319","0.0312","","","0.0848","0.0856","","","","","","1.057","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1552938","14.013","0.003","5.4123","0.0011","22.901","0.005","90","","93.157","0.005","90","","1734.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","HB4324","Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","IUCrData","2019","4","11","x191525","","10.1107/S2414314619015256","","","0.71073","MoKα","","0.1418","0.0484","","","0.1317","0.1988","","","","","","0.865","","","","has coordinates,has Fobs","231080","2020-10-21","18:00:00",""
"1552939","13.3725","0.0017","13.3725","0.0017","40.84","0.005","90","","90","","120","","6324.7","1.4","200","2","200","2","","","","","","","","7","P 32","P 32","145","","Sodium [2-({2-[(1-carboxylato-2-methyl-2-sulfanidylpropyl)amino]ethyl}amino)-3-methyl-\ 3-sulfanidylbutanoato-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>']indate(III) tetrahydrate","","- C12 H28 In N2 Na O8 S2 -","- C12 H28 In N2 Na O8 S2 -","- C144 H336 In12 N24 Na12 O96 S24 -","12","4","SJ4211","Yoshinari, Nobuto; Konno, Takumi","Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate","IUCrData","2019","4","11","","","10.1107/S2414314619015293","","","0.71075","MoKα","","0.0474","0.0398","","","0.0719","0.076","","","","","","1.041","","","","has coordinates,has Fobs","231081","2020-10-21","18:00:00",""
"1552940","13.7369","0.0005","13.8077","0.0005","16.4824","0.0006","78.442","0.002","68.211","0.002","80.216","0.002","2828.35","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","","- C69 H50 Cl2 O8 S2 -","- C69 H50 Cl2 O8 S2 -","- C138 H100 Cl4 O16 S4 -","2","1","BT4084","Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G.","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","IUCrData","2019","4","11","x191394","","10.1107/S2414314619013944","","","0.71073","MoKα","","0.1194","0.0529","","","0.131","0.1685","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","231082","2020-10-21","18:00:00",""
"1552941","10.139","0.003","11.35","0.003","17.815","0.005","90","","96.773","0.003","90","","2035.8","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","","- C16 H44 D4 Mo8 N4 O30 -","- C16 H44 D4 Mo8 N4 O30 -","- C32 H88 D8 Mo16 N8 O60 -","2","0.5","LH4048","Ermert, David M.; Gembicky, Milan; Rheingold, Arnold L.","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","IUCrData","2019","4","11","","","10.1107/S2414314619015360","","","0.71073","MoKα","","0.044","0.0318","","","0.0695","0.0741","","","","","","1.078","","","","has coordinates,has Fobs","231083","2020-10-21","18:00:00",""
"1552942","27.9421","0.0002","14.47187","0.00013","7.75513","0.00006","90","","90","","90","","3135.98","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C31 H51 N5 O7 -","- C31 H51 N5 O7 -","- C124 H204 N20 O28 -","4","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","x-ray","1.54184","CuKα","","0.0358","0.035","","","0.0934","0.0946","","","","","","1.03","","","","has coordinates","231090","2020-10-21","18:00:00",""
"1552943","8.24073","0.00009","13.46168","0.00014","12.86894","0.00014","90","","94.5223","0.001","90","","1423.16","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N5 O4 -","- C32 H47 N5 O4 -","- C64 H94 N10 O8 -","2","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","","1.54184","CuKα","","0.0378","0.0375","","","0.1013","0.1017","","","","","","1.069","","","","has coordinates","231091","2020-10-21","18:00:00",""
"1552944","6.0631","0.0001","9.7279","0.0002","11.3631","0.0002","89.483","0.001","87.316","0.002","77.462","0.002","653.51","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H45 N4 O2 -","- C30 H44 N4 O2 -","- C30 H44 N4 O2 -","1","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","","1.54178","CuKα","","0.0408","0.0403","","","0.1063","0.1072","","","","","","1.051","","","","has coordinates","231092","2020-10-21","18:00:00",""
"1552945","8.4347","0.0001","8.6934","0.0001","9.8006","0.0001","101.982","0.001","95.217","0.001","96.552","0.001","693.518","0.014","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C31 H48 N4 O3 -","- C31 H48 N4 O3 -","- C31 H48 N4 O3 -","1","1","","Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min","Alopecuroides A‒E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.8b01081","","","1.54184","CuKα","","0.0618","0.0617","","","0.1656","0.1657","","","","","","1.048","","","","has coordinates","231093","2020-10-21","18:00:00",""
"1553267","9.2626","0.0008","9.5087","0.0008","11.0617","0.0009","89.565","0.002","76.519","0.002","67.742","0.002","873.29","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 Cl Cu N5 O4 S -","- C12 H22 Cl Cu N5 O4 S -","- C24 H44 Cl2 Cu2 N10 O8 S2 -","2","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.0233","0.0215","","","0.0568","0.0577","","","","","","1.062","","","","has coordinates","234028","2020-10-21","18:00:00",""
"1553268","9.3959","0.0003","19.8889","0.0006","10.9744","0.0003","90","","108.366","0.0007","90","","1946.37","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl Cu N6 O2 S -","- C15 H23 Cl Cu N6 O2 S -","- C60 H92 Cl4 Cu4 N24 O8 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","1.54178","CuKα","","0.0257","0.0256","","","0.0705","0.0706","","","","","","1.061","","","","has coordinates","234029","2020-10-21","18:00:00",""
"1553269","15.7566","0.0011","14.2967","0.0009","14.2703","0.001","90","","92.971","0.003","90","","3210.3","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 Cl Cu N5 O S -","- C13 H18 Cl Cu N5 O S -","- C104 H144 Cl8 Cu8 N40 O8 S8 -","8","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.057","0.0421","","","0.1051","0.1125","","","","","","1.05","","","","has coordinates","234031","2020-10-21","18:00:00",""
"1553270","13.3622","0.0018","5.8899","0.0006","21.414","0.003","90","","91.631","0.005","90","","1684.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N5 O2 S -","- C16 H23 N5 O2 S -","- C64 H92 N20 O8 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.1061","0.0535","","","0.1029","0.1221","","","","","","1.012","","","","has coordinates","234032","2020-10-21","18:00:00",""
"1553271","11.544","0.003","13.204","0.003","10.086","0.003","90","","112.081","0.007","90","","1424.6","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.0973","0.0577","","","0.1386","0.1609","","","","","","1.025","","","","has coordinates","234033","2020-10-21","18:00:00",""
"1553272","7.1287","0.0002","15.0536","0.0006","16.4704","0.0006","90","","97.81","0.002","90","","1751.09","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N5 O S -","- C18 H21 N5 O S -","- C72 H84 N20 O4 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.0633","0.0454","","","0.1203","0.133","","","","","","1.033","","","","has coordinates","234035","2020-10-21","18:00:00",""
"1553273","24.702","0.004","9.1959","0.0014","25.064","0.005","90","","100.971","0.006","90","","5589.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48.75 H69 Cl3 Cu3 N15 O3.75 S3 -","- C48.75 H69 Cl3 Cu3 N15 O3.75 S3 -","- C195 H276 Cl12 Cu12 N60 O15 S12 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.1183","0.0572","","","0.131","0.1693","","","","","","1.062","","","","has coordinates,has disorder","234036","2020-10-21","18:00:00",""
"1553274","6.1236","0.0004","7.95","0.0006","30.956","0.002","90","","92.419","0.004","90","","1505.68","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N5 O S -","- C14 H21 N5 O S -","- C56 H84 N20 O4 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.0632","0.0443","","","0.1083","0.1187","","","","","","1.037","","","","has coordinates","234038","2020-10-21","18:00:00",""
"1553275","22.7776","0.0004","6.8585","0.0001","9.88","0.0002","90","","98.889","0.002","90","","1524.92","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N5 O S -","- C13 H19 N5 O S -","- C52 H76 N20 O4 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","1.54184","CuKα","","0.0581","0.0478","","","0.1367","0.1434","","","","","","1.048","","","","has coordinates","234039","2020-10-21","18:00:00",""
"1553276","22.2413","0.0007","8.3324","0.0002","31.9121","0.0009","90","","90.5654","0.0013","90","","5913.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49.75 H73 Cl3 Cu3 N15 O7.75 S3 -","- C49.75 H73 Cl3 Cu3 N15 O7.75 S3 -","- C199 H292 Cl12 Cu12 N60 O31 S12 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.0529","0.0357","","","0.0785","0.086","","","","","","1.037","","","","has coordinates,has disorder","234040","2020-10-21","18:00:00",""
"1553277","16.5043","0.0012","17.7857","0.0012","7.1311","0.0006","90","","96.241","0.003","90","","2080.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl Cu N5 O2 S -","- C19 H24 Cl Cu N5 O2 S -","- C76 H96 Cl4 Cu4 N20 O8 S4 -","4","1","","Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.","New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.","Journal of medicinal chemistry","2019","62","2","512","530","10.1021/acs.jmedchem.8b01031","","","0.71073","MoKα","","0.0566","0.0368","","","0.0845","0.0913","","","","","","1.022","","","","has coordinates","234041","2020-10-21","18:00:00",""
"1553367","9.2199","0.0003","11.2065","0.0006","19.177","0.001","90","","90","","90","","1981.42","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O7 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0704","0.0595","","","0.1502","0.1613","","","","","","1.039","","","","has coordinates","234179","2020-10-21","18:00:00",""
"1553368","7.02787","0.00012","11.2128","0.0002","24.3184","0.0005","90","","90","","90","","1916.34","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0431","0.0401","","","0.0972","0.1006","","","","","","1.066","","","","has coordinates","234181","2020-10-21","18:00:00",""
"1553369","7.22366","0.00009","15.7069","0.0002","17.8026","0.0002","90","","90","","90","","2019.91","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O5 -","- C20 H36 O5 -","- C80 H144 O20 -","4","1","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0425","0.0399","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","234182","2020-10-21","18:00:00",""
"1553370","8.2372","0.0002","25.7913","0.0007","9.2037","0.0002","90","","102.626","0.003","90","","1908.02","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","2","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0856","0.0707","","","0.1832","0.2058","","","","","","1.033","","","","has coordinates","234184","2020-10-21","18:00:00",""
"1553402","9.7873","0.0003","10.4684","0.0003","18.7272","0.0006","90","","90","","90","","1918.74","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O8 -","- C21 H24 O8 -","- C84 H96 O32 -","4","1","","Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú","Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima.","Journal of natural products","2019","82","3","631","635","10.1021/acs.jnatprod.8b00565","","","1.54178","CuKα","","0.0417","0.0374","","","0.0956","0.0995","","","","","","1.037","","","","has coordinates","234240","2020-10-21","18:00:00",""
"1553403","6.9791","0.0001","12.6221","0.0002","22.9412","0.0004","90","","90","","90","","2020.91","0.06","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C88 H88 O32 -","4","1","","Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú","Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima.","Journal of natural products","2019","82","3","631","635","10.1021/acs.jnatprod.8b00565","","","1.54178","CuKα","","0.0662","0.0496","","","0.126","0.1412","","","","","","1.035","","","","has coordinates","234241","2020-10-21","18:00:00",""
"1554127","10.6131","0.0002","10.6131","0.0002","37.846","0.003","90","","90","","120","","3691.8","0.3","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C23 H21 B2 F8 N5 -","- C23 H21 B2 F8 N5 -","- C138 H126 B12 F48 N30 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0678","0.0669","","","0.1944","0.1951","","","","","","1.117","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554128","10.6229","0.0002","10.6229","0.0002","38.184","0.003","90","","90","","120","","3731.6","0.3","200","2","200","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C23 H21 B2 F8 N5 -","- C23 H21 B2 F8 N5 -","- C138 H126 B12 F48 N30 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.077","0.0763","","","0.2198","0.2205","","","","","","1.087","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554129","10.6135","0.0002","10.6135","0.0002","38.198","0.003","90","","90","","120","","3726.4","0.3","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate)","","- C21 H18 B2 F8 N4 -","- C21 H18 B2 F8 N4 -","- C126 H108 B12 F48 N24 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0628","0.0559","","","0.1101","0.1145","","","","","","1.034","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554130","10.628","0.0002","10.628","0.0002","38.399","0.003","90","","90","","120","","3756.2","0.3","280","2","280","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate)","","- C21 H18 B2 F8 N4 -","- C21 H18 B2 F8 N4 -","- C126 H108 B12 F48 N24 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0653","0.055","","","0.1075","0.1132","","","","","","0.974","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554131","18.3447","0.0003","18.3447","0.0003","37.85","0.003","90","","90","","120","","11031.1","0.9","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C21 H23 B2 F8 N4 O2.5 -","- C21 H18 B2 F8 N4 O2.5 -","- C378 H324 B36 F144 N72 O45 -","18","1.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0791","0.0771","","","0.2333","0.2354","","","","","","1.067","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554132","10.6249","0.0002","10.6249","0.0002","38.276","0.003","90","","90","","120","","3742","0.3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","bis(4-Pyridyl)bis(pyridinium-4-yl)methane bis(tetrafluoroborate) acetonitrile solvate","","- C21 H23 B2 F8 N4 O2.5 -","- C21 H18 B2 F8 N4 O2.5 -","- C126 H108 B12 F48 N24 O15 -","6","0.5","","Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi","Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane","The Journal of Physical Chemistry C","2019","123","11","6599","","10.1021/acs.jpcc.8b12421","","","1.54187","CuKα","","0.0802","0.0781","","","0.2258","0.2271","","","","","","1.051","","","","has coordinates","236600","2020-10-21","18:00:00",""
"1554133","7.3012","0.0018","8.0874","0.0012","8.7726","0.0017","72.526","0.013","87.384","0.018","89.741","0.016","493.56","0.17","299","","299","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 N4 -","- C26 H18 N4 -","- C26 H18 N4 -","1","0.5","","Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines","The Journal of Physical Chemistry C","2019","123","19","12088","","10.1021/acs.jpcc.9b01453","","","0.71069","MoKα","","","0.0555","","","","0.1627","","","","","","1.039","","","","has coordinates","236602","2020-10-21","18:00:00",""
"1554134","7.33915","0.00013","8.13493","0.00015","9.97271","0.00018","67.93","0.0008","77.0956","0.0008","87.4287","0.0009","537.339","0.017","274","","274","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H14 Cl2 N4 -","- C28 H14 Cl2 N4 -","- C28 H14 Cl2 N4 -","1","0.5","","Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines","The Journal of Physical Chemistry C","2019","123","19","12088","","10.1021/acs.jpcc.9b01453","","","1.54187","CuKα","","","0.0381","","","","0.1037","","","","","","1.136","","","","has coordinates","236602","2020-10-21","18:00:00",""
"1554135","7.41651","0.00013","8.17089","0.00015","9.87887","0.00018","68.2777","0.0007","78.4778","0.0007","88.3362","0.0007","544.272","0.017","271","","271","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H14 Br2 N4 -","- C28 H14 Br2 N4 -","- C28 H14 Br2 N4 -","1","0.5","","Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines","The Journal of Physical Chemistry C","2019","123","19","12088","","10.1021/acs.jpcc.9b01453","","","1.54187","CuKα","","0.0365","0.0321","","","0.0844","0.1006","","","","","","1.19","","","","has coordinates","236602","2020-10-21","18:00:00",""
"1554136","6.896","0.003","9.01","0.03","9.5168","0.0018","105.15","0.07","101.29","0.02","95.7","0.08","552.6","1.9","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 N4 -","- C30 H18 N4 -","- C30 H18 N4 -","1","0.5","","Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Charge-Transfer Complexes Containing Perylene and Dicyanoquinonediimines","The Journal of Physical Chemistry C","2019","123","19","12088","","10.1021/acs.jpcc.9b01453","","","0.71069","MoKα","","","0.0642","","","","0.1974","","","","","","0.979","","","","has coordinates","236602","2020-10-21","18:00:00",""
"1554138","8.6999","0.0005","12.2951","0.0006","14.5055","0.0009","90","","90","","90","","1551.6","0.15","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","C6H8LiNO6F6S3","","- C6 H8 F6 Li N O6 S3 -","- C6 H8 F6 Li N O6 S3 -","- C24 H32 F24 Li4 N4 O24 S12 -","4","1","","Nakanishi, Azusa; Ueno, Kazuhide; Watanabe, Daiki; Ugata, Yosuke; Matsumae, Yoshiharu; Liu, Jiali; Thomas, Morgan L.; Dokko, Kaoru; Watanabe, Masayoshi","Sulfolane-Based Highly Concentrated Electrolytes of Lithium Bis(trifluoromethanesulfonyl)amide: Ionic Transport, Li-Ion Coordination, and Li‒S Battery Performance","The Journal of Physical Chemistry C","2019","123","23","14229","","10.1021/acs.jpcc.9b02625","","x-ray","0.71073","MoKα","","0.0552","0.0472","","","0.1263","0.1332","","","","","","1.04","","","","has coordinates","236628","2020-10-21","18:00:00",""
"1554139","11.7549","0.0002","8.23736","0.00012","8.16994","0.00015","90","","108.855","0.002","90","","748.64","0.02","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Br4 N2 Pb -","- C4 H16 Br4 N2 Pb -","- C8 H32 Br8 N4 Pb2 -","2","0.5","","Luo, Binbin; Guo, Yan; Li, Xianli; Xiao, Yonghong; Huang, Xiaochun; Zhang, Jin Z.","Efficient Trap-Mediated Mn2+ Dopant Emission in Two Dimensional Single-Layered Perovskite (CH3CH2NH3)2PbBr4","The Journal of Physical Chemistry C","2019","123","23","14239","","10.1021/acs.jpcc.9b02649","","x-ray","1.54184","CuKα","","0.0475","0.046","","","0.1313","0.1333","","","","","","1.055","","","","has coordinates,has disorder","236630","2020-10-21","18:00:00",""
"1554140","47.416","0.005","10.523","0.003","15.989","0.002","90","","90.102","0.005","90","","7978","3","95","2","95","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Tc-Ad-Tc","","","- C90 H116 Si4 -","- C90 H116 Si4 -","- C360 H464 Si16 -","4","0.5","","Matsui, Yasunori; Kawaoka, Shuhei; Nagashima, Hiroki; Nakagawa, Tatsuo; Okamura, Naoki; Ogaki, Takuya; Ohta, Eisuke; Akimoto, Seiji; Sato-Tomita, Ayana; Yagi, Shigeyuki; Kobori, Yasuhiro; Ikeda, Hiroshi","Exergonic Intramolecular Singlet Fission of an Adamantane-Linked Tetracene Dyad via Twin Quintet Multiexcitons","The Journal of Physical Chemistry C","2019","123","31","18813","","10.1021/acs.jpcc.9b04503","","","0.75","synchrotron","","0.062","0.0561","","","0.1436","0.1493","","","","","","1.137","","","","has coordinates","236632","2020-10-21","18:00:00",""
"1554141","4.6102","0.0006","8.0852","0.0011","12.4977","0.0014","83.809","0.006","82.68","0.006","82.977","0.006","456.56","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1-deazahypoxanthine","1,4-dihydro-7H-imidazo[4,5-b]pyridin-7-one","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C16 H18 N6 O6 -","2","1","","Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi","Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions","The Journal of Physical Chemistry C","2019","123","34","20928","","10.1021/acs.jpcc.9b05033","","","0.71075","MoKα","","0.0495","0.0359","","","0.0951","0.0999","","","","","","1.049","","","","has coordinates","236634","2020-10-21","18:00:00",""
"1554142","4.6883","0.0012","21.471","0.006","7.82","0.002","90","","97.356","0.007","90","","780.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-deazahypoxanthine","1,4-dihydro-7H-imidazo[4,5-b]pyridin-7-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi","Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions","The Journal of Physical Chemistry C","2019","123","34","20928","","10.1021/acs.jpcc.9b05033","","","0.71075","MoKα","","0.0579","0.0426","","","0.0986","0.1029","","","","","","0.973","","","","has coordinates","236634","2020-10-21","18:00:00",""
"1554143","4.6463","0.0005","23.585","0.002","10.7437","0.0012","90","","94.214","0.003","90","","1174.1","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-benzyl-7-nitro-3H-imidazo[4,5-b]pyridine 4-oxide","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","","Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi","Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions","The Journal of Physical Chemistry C","2019","123","34","20928","","10.1021/acs.jpcc.9b05033","","","0.71075","MoKα","","0.1167","0.0496","","","0.1076","0.1504","","","","","","1.071","","","","has coordinates","236634","2020-10-21","18:00:00",""
"1554144","8.5059","0.0012","5.7021","0.0008","12.074","0.002","90","","90.569","0.005","90","","585.58","0.15","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-benzyl-7-nitro-3H-imidazo[4,5-b]pyridine","","- C13 H10 N4 O2 -","- C13 H10 N4 O2 -","- C26 H20 N8 O4 -","2","1","","Hirao, Yasukazu; Seo, Shiori; Kubo, Takashi","Self-Assembly of 1-Deazahypoxanthine: Cooperativity of Hydrogen-Bonding and Stacking Interactions","The Journal of Physical Chemistry C","2019","123","34","20928","","10.1021/acs.jpcc.9b05033","","","0.71075","MoKα","","0.118","0.1131","","","0.3503","0.3531","","","","","","1.126","","","","has coordinates","236634","2020-10-21","18:00:00",""
"1554145","28.9409","0.0008","9.0789","0.0002","21.712","0.0005","90","","90","","90","","5704.9","0.2","100","","100","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C28 H24 O8 S4 -","- C28 H24 O8 S4 -","- C224 H192 O64 S32 -","8","1","","Takeda, Takashi; Ozawa, Masataka; Akutagawa, Tomoyuki","Dynamic Motion of Twisted π System-Induced Temperature-Dependent Dielectric Response in the Neat Liquid State","The Journal of Physical Chemistry C","2019","123","33","20152","","10.1021/acs.jpcc.9b06071","","","1.54187","CuKα","","0.2131","0.1433","","","0.2929","0.341","","","","","","1.286","","","","has coordinates","236636","2020-10-21","18:00:00",""
"1554146","14.715","0.007","13.139","0.006","17.882","0.012","90","","104.31","0.013","90","","3350","3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","L-Strap","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C176 H184 N8 O16 -","8","1","","Wang, Fang; DeRosa, Christopher A.; Song, Daniel; Dickie, Diane A.; Fraser, Cassandra L.","Environment-Sensitive Azepane-Substituted β-Diketones and Difluoroboron Complexes with Restricted C‒C Bond Rotation","The Journal of Physical Chemistry C","2019","123","37","23124","","10.1021/acs.jpcc.9b06304","","","0.71073","MoKα","","0.1565","0.0695","","","0.1673","0.2163","","","","","","1.032","","","","has coordinates","236638","2020-10-21","18:00:00",""
"1554176","15.1807","0.0005","19.7102","0.0006","18.0932","0.0007","90","","98.694","0.004","90","","5351.5","0.3","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Cl10 N4 O4 Ti2 -","- C50 H52 Cl10 N4 O4 Ti2 -","- C200 H208 Cl40 N16 O16 Ti8 -","4","0.5","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","0.71073","MoKα","","0.0813","0.0541","","","0.0924","0.1014","","","","","","1.088","","","","has coordinates,has disorder","236726","2020-10-21","18:00:00",""
"1554177","12.774","0.0004","20.1276","0.0006","16.5375","0.0004","90","","94.834","0.003","90","","4236.8","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H130 Cl2 N2 O8 Ti2 -","- C85 H130 Cl2 N2 O8 Ti2 -","- C170 H260 Cl4 N4 O16 Ti4 -","2","0.5","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","1.54184","CuKα","","0.069","0.0567","","","0.1446","0.1549","","","","","","1.038","","","","has coordinates,has disorder","236728","2020-10-21","18:00:00",""
"1554178","10.3781","0.0002","11.0454","0.0002","20.6189","0.0005","91.943","0.002","100.093","0.002","96.471","0.001","2308.67","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H74 N O4 Ti -","- C49 H74 N O4 Ti -","- C98 H148 N2 O8 Ti2 -","2","1","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","1.54184","CuKα","","0.0761","0.068","","","0.1763","0.183","","","","","","1.087","","","","has coordinates,has disorder","236730","2020-10-21","18:00:00",""
"1554179","8.246","0.0001","19.127","0.0003","13.8373","0.0002","90","","90.346","0.001","90","","2182.4","0.05","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl2 N4 O4 Ti2 -","- C44 H60 Cl2 N4 O4 Ti2 -","- C88 H120 Cl4 N8 O8 Ti4 -","2","0.5","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","1.54184","CuKα","","0.0503","0.0482","","","0.1338","0.136","","","","","","1.076","","","","has coordinates","236732","2020-10-21","18:00:00",""
"1554180","15.9365","0.0003","14.9569","0.0002","21.2219","0.0003","90","","90","","90","","5058.47","0.14","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cl5 N2 O3 Ti -","- C22 H26 Cl5 N2 O3 Ti -","- C176 H208 Cl40 N16 O24 Ti8 -","8","1","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","0.71073","MoKα","","0.0575","0.0473","","","0.0869","0.0899","","","","","","1.223","","","","has coordinates,has disorder","236735","2020-10-21","18:00:00",""
"1554181","8.61539","0.00007","15.80257","0.00011","20.58955","0.00017","90","","96.8755","0.0008","90","","2783.01","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Cl2 N4 O7 Ti2 -","- C56 H84 Cl2 N4 O7 Ti2 -","- C112 H168 Cl4 N8 O14 Ti4 -","2","0.5","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","1.54184","CuKα","","0.0507","0.0491","","","0.1365","0.1386","","","","","","1.042","","","","has coordinates","236737","2020-10-21","18:00:00",""
"1554182","18.5813","0.0004","10.9133","0.0002","20.917","0.0004","90","","105.725","0.002","90","","4082.87","0.15","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Cl4 Cr N2 O2 -","- C36 H57 Cl4 Cr N2 O2 -","- C144 H228 Cl16 Cr4 N8 O8 -","4","1","","Ambrose, Kenson; Murphy, Jennifer N.; Kozak, Christopher M.","Chromium Amino-bis(phenolate) Complexes as Catalysts for Ring-Opening Polymerization of Cyclohexene Oxide","Macromolecules","2019","52","19","7403","","10.1021/acs.macromol.9b01381","","x-ray","0.71073","MoKα","","0.0672","0.0573","","","0.15","0.1618","","","","","","1.076","","","","has coordinates,has disorder","236739","2020-10-21","18:00:00",""
"1554185","14.24","0.005","14.762","0.004","16.651","0.005","90","","107.263","0.004","90","","3342.5","1.8","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 O7 S -","- C34 H40 N2 O7 S -","- C136 H160 N8 O28 S4 -","4","2","","Yamamoto, Kosuke; Ishimaru, Shota; Oyama, Tatsuya; Tanigawa, Satoko; Kuriyama, Masami; Onomura, Osamu","Enantioselective Synthesis of α-Substituted Serine Derivatives via Cu-Catalyzed Oxidative Desymmetrization of 2-Amino-1,3-diols","Organic Process Research & Development","2019","23","4","660","","10.1021/acs.oprd.8b00407","","","0.71075","MoKα","","0.0785","0.0591","","","0.1138","0.1262","","","","","","1.019","","","","has coordinates","236745","2020-10-21","18:00:00",""
"1554186","18.3878","0.0003","12.7469","0.0002","19.6536","0.0003","90","","93.725","0.001","90","","4596.83","0.13","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 I N6 Sn -","- C17 H31 I N6 Sn -","- C136 H248 I8 N48 Sn8 -","8","2","","Akin, Anne; Barilla, Mark T.; Brandt, Thomas A.; Brennan, John; Henegar, Kevin E.; Hoagland, Steve; Kumar, Rajesh; Magano, Javier; McInturff, Emma L.; Nematalla, Asaad; Piotrowski, David W.; Van Haitsma, Jared; Wei, Liuqing; Xiao, Jun; Yu, Shu","Overcoming the Challenges of Making a Single Enantiomer N-1 Substituted Tetrazole Prodrug Using a Tin-Mediated Alkylation and Enzymatic Resolution","Organic Process Research & Development","2019","23","6","1167","","10.1021/acs.oprd.9b00104","","","1.54178","CuKα","","0.0616","0.0582","","","0.1542","0.1577","","","","","","1.035","","","","has coordinates,has disorder","236747","2020-10-21","18:00:00",""
"1554187","11.4365","0.0008","7.5623","0.0005","15.4088","0.0011","90","","110.202","0.002","90","","1250.67","0.15","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H35 B N2 O4 S -","- C24 H35 B N2 O4 S -","- C48 H70 B2 N4 O8 S2 -","2","1","","Kim, Jeongho; Hwang, Chiwon; Kim, Youngmin; Cho, Seung Hwan","Improved Synthesis of β-Aminoboronate Esters via Copper-Catalyzed Diastereo- and Enantioselective Addition of 1,1-Diborylalkanes to Acyclic Arylaldimines","Organic Process Research & Development","2019","23","8","1663","","10.1021/acs.oprd.9b00179","","","0.71073","MoKα","","0.0648","0.0468","","","0.1037","0.113","","","","","","1.025","","","","has coordinates","236749","2020-10-21","18:00:00",""
"1554188","18.908","0.003","17.101","0.002","38.301","0.005","90","","97.4","0.002","90","","12281","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H55 B F24 Fe P2 Pd -","- C61 H55 B F24.006 Fe P2 Pd -","- C488 H440 B8 F192.048 Fe8 P16 Pd8 -","8","1","","Kuwano, Ryoichi; Yokogi, Masashi; Sakai, Ken; Masaoka, Shigeyuki; Miura, Takashi; Won, Sungyong","Room-Temperature Benzylic Alkylation of Benzylic Carbonates: Improvement of Palladium Catalyst and Mechanistic Study","Organic Process Research & Development","2019","23","8","1568","","10.1021/acs.oprd.9b00210","","","0.71073","MoKα","","0.0756","0.0601","","","0.1327","0.1412","","","","","","1.07","","","","has coordinates,has disorder","276324","2022-06-28","14:12:05",""
"1554192","10.374","0.014","12.619","0.014","15.496","0.017","71.92","0.06","80.91","0.05","71.19","0.04","1822","4","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H27 B N8 O -","- C46 H27 B N8 O -","- C92 H54 B2 N16 O2 -","2","1","","Gotfredsen, Henrik; Kilde, Martin Drøhse; Santella, Marco; Kadziola, Anders; Nielsen, Mogens Brøndsted","Fluorescence switching with subphthalocyanine-dihydroazulene dyads","Molecular Systems Design & Engineering","2019","4","1","199","","10.1039/C8ME00075A","","","0.71073","MoKα","","0.0943","0.076","","","0.2092","0.2286","","","","","","1.023","","","","has coordinates","236866","2020-10-21","18:00:00",""
"1554193","7.6185","0.0007","16.5025","0.0016","14.1512","0.0014","90","","92.267","0.006","90","","1777.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenyl-capped tetra(aniline)-ES bis(perchlorate) tetrahydrofuran solvate; [TANI-ES](ClO4)2.2THF","N1,N1?-(1,4-phenylene)-bis(N4-phenylbenzene-1,4-diamine) dication bis(perchlorate) tetrahydrofuran solvate","","- C38 H42 Cl2 N4 O10 -","- C38 H42 Cl2 N4 O10 -","- C76 H84 Cl4 N8 O20 -","2","0.5","","Mills, Benjamin M.; Shao, Zhecheng; Flynn, Stephanie R.; Rannou, Patrice; Lindsay, David M.; Fey, Natalie; Faul, Charl F. J.","Tipping the polaron‒bipolaron balance: concentration and spin effects in doped oligo(aniline)s observed by UV-vis-NIR and TD-DFT","Molecular Systems Design & Engineering","2019","4","1","103","","10.1039/C8ME00082D","","","1.54184","CuKα","","0.0752","0.0582","","","0.1386","0.1506","","","","","","1.07","","","","has coordinates,has disorder","236867","2020-10-21","18:00:00",""
"1554236","8.886","0.004","10.971","0.005","11.261","0.005","64.477","0.007","78.704","0.007","77.452","0.008","960.5","0.8","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H20 S -","- C25 H20 S -","- C50 H40 S2 -","2","2","","Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen","Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment","Materials Chemistry Frontiers","2019","3","1","32","","10.1039/C8QM00411K","","","0.71073","MoKα","","0.0974","0.054","","","0.1427","0.1856","","","","","","1.04","","","","has coordinates,has disorder","237046","2020-10-21","18:00:00",""
"1554237","5.988","0.003","7.36","0.004","45.02","0.02","90","","90","","90","","1984.1","1.7","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 S -","- C25 H20 S -","- C100 H80 S4 -","4","1","","Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen","Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment","Materials Chemistry Frontiers","2019","3","1","32","","10.1039/C8QM00411K","","","0.71073","MoKα","","0.0781","0.0663","","","0.1553","0.1613","","","","","","1.097","","","","has coordinates,has disorder","237047","2020-10-21","18:00:00",""
"1554238","13.5619","0.0009","13.7951","0.001","15.3779","0.0011","110.309","0.002","101.188","0.002","97.849","0.002","2581.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H55 N5 O2 S -","- C61 H55 N5 O2 S -","- C122 H110 N10 O4 S2 -","2","1","","Yu, Hai-Xia; Zhi, Junge; Chang, Zheng-Feng; Shen, Tianjiao; Ding, Wei-Lu; Zhang, Xiaoling; Wang, Jin-Liang","Rational design of aggregation-induced emission sensor based on Rhodamine B for turn-on sensing of trivalent metal cations, reversible data protection, and bioimaging","Materials Chemistry Frontiers","2019","3","1","151","","10.1039/C8QM00424B","","","0.71073","MoKα","","0.1149","0.0572","","","0.128","0.1466","","","","","","1.019","","","","has coordinates","237049","2020-10-21","18:00:00",""
"1554239","11.951","0.002","15.59","0.003","18.828","0.004","90","","97.29","0.03","90","","3479.6","1.2","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 F6 N O2 P -","- C39 H37 F6 N2 O2 P -","- C156 H148 F24 N8 O8 P4 -","4","1","","Ren, Fei; Liu, Pai; Gao, Yu; Shi, Jianbing; Tong, Bin; Cai, Zhengxu; Dong, Yuping","Real time bioimaging for mitochondria by taking the aggregation process of aggregation-induced emission near-infrared dyes with wash-free staining","Materials Chemistry Frontiers","2019","3","1","57","","10.1039/C8QM00425K","","","0.71073","MoKα","","0.2843","0.2299","","","0.495","0.5293","","","","","","1.687","","","","has coordinates","237051","2020-10-21","18:00:00",""
"1554240","17.804","0.002","9.217","0.0011","12.5258","0.0017","90","","107.795","0.004","90","","1957.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","POZ-BT-CN","POZ-BT-CN","","- C25 H14 N4 O S -","- C25 H14 N4 O S -","- C100 H56 N16 O4 S4 -","4","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng","The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D‒A‒A type emitters","Materials Chemistry Frontiers","2019","3","1","161","","10.1039/C8QM00442K","","","0.71073","MoKα","","0.0605","0.041","","","0.0939","0.1027","","","","","","1.071","","","","has coordinates","237053","2020-10-21","18:00:00",""
"1554241","11.8289","0.0011","20.0485","0.0017","21.3871","0.0018","105.379","0.003","102.037","0.004","99.001","0.004","4660.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","OTPA-BT-CN","OTPA-BT-CN","","- C109 H80 N16 O10 S4 -","- C109 H80 N16 O10 S4 -","- C218 H160 N32 O20 S8 -","2","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng","The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D‒A‒A type emitters","Materials Chemistry Frontiers","2019","3","1","161","","10.1039/C8QM00442K","","","0.71073","MoKα","","0.1214","0.0648","","","0.1527","0.1812","","","","","","1.003","","","","has coordinates","237053","2020-10-21","18:00:00",""
"1554242","10.83","0.008","7.65","0.006","12.063","0.009","90","","103.07","0.03","90","","973.5","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C46 H34 N6 O6 -","2","1","","He, Yanling; Li, Yuanyuan; Su, Huifang; Si, Yue; Liu, Yuanyuan; Peng, Qiuchen; He, Juan; Hou, Hongwei; Li, Kai","An o-phthalimide-based multistimuli-responsive aggregation-induced emission (AIE) system","Materials Chemistry Frontiers","2019","3","1","50","","10.1039/C8QM00454D","","","0.71073","MoKα","","0.055","0.0423","","","0.1071","0.1139","","","","","","1.126","","","","has coordinates","237054","2020-10-21","18:00:00",""
"1554243","20.728","0.009","11.337","0.005","17.818","0.008","90","","107.633","0.008","90","","3990","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 Cl2 N2 O -","- C47 H38 Cl2 N2 O -","- C188 H152 Cl8 N8 O4 -","4","1","","Lin, Tingting; Su, Xing; Wang, Kai; Li, Minjie; Guo, Hongwei; Liu, Lulu; Zou, Bo; Zhang, Yu-Mo; Liu, Yifei; Zhang, Sean Xiao-An","An AIE fluorescent switch with multi-stimuli responsive properties and applications for quantitatively detecting pH value, sulfite anion and hydrostatic pressure","Materials Chemistry Frontiers","2019","3","6","1052","","10.1039/C8QM00544C","","","0.71073","MoKα","","0.2228","0.0909","","","0.247","0.3413","","","","","","0.83","","","","has coordinates,has disorder","237055","2020-10-21","18:00:00",""
"1554244","15.538","0.004","13.276","0.004","16.39","0.005","90","","101.907","0.006","90","","3308.2","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N3 O2 -","- C41 H33 N3 O2 -","- C164 H132 N12 O8 -","4","1","","Shimizu, Masaki; Tamagawa, Tomokazu; Nishimura, Kenta","4,5-Diaminophthalimides: highly efficient solid-state fluorophores and turn-on type fluorescent probes for hydrazine","Materials Chemistry Frontiers","2019","3","4","563","","10.1039/C8QM00578H","","","0.71073","MoKα","","0.0764","0.0446","","","0.1052","0.1136","","","","","","1.034","","","","has coordinates","237057","2020-10-21","18:00:00",""
"1554245","8.7745","0.0018","11.508","0.002","20.298","0.004","90","","90","","90","","2049.6","0.7","153","2","153.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0919","0.0772","","","0.1932","0.2209","","","","","","1.22","","","","has coordinates","237061","2020-10-21","18:00:00",""
"1554246","45.21","0.009","6.1483","0.0012","7.449","0.0015","90","","90","","90","","2070.6","0.7","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0723","0.0664","","","0.1404","0.1459","","","","","","1.15","","","","has coordinates","237061","2020-10-21","18:00:00",""
"1554247","42.454","0.009","11.064","0.002","9.786","0.002","90","","94.49","0.03","90","","4582.5","1.6","153","2","153.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C31 H27 N -","- C31 H27 N -","- C248 H216 N8 -","8","2","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.1596","0.1348","","","0.2727","0.2993","","","","","","1.103","","","","has coordinates,has disorder","237061","2020-10-21","18:00:00",""
"1554248","31.66","0.006","5.901","0.0012","22.932","0.005","90","","100.11","0.03","90","","4217.8","1.5","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 N O -","- C29 H23 N O -","- C232 H184 N8 O8 -","8","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0955","0.0781","","","0.2294","0.2679","","","","","","1.267","","","","has coordinates","237061","2020-10-21","18:00:00",""
"1554249","23.528","0.005","6.0582","0.0012","17.914","0.004","90","","93.56","0.03","90","","2548.5","0.9","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O -","- C32 H27 N3 O -","- C128 H108 N12 O4 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.2738","0.2562","","","0.6218","0.631","","","","","","2.771","","","","has coordinates,has disorder","237061","2020-10-21","18:00:00",""
"1554250","8.4662","0.0017","15.145","0.003","17.692","0.004","106.62","0.03","95.32","0.03","91.57","0.03","2160.9","0.9","153","2","153.15","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","2","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.21","0.1627","","","0.3918","0.4353","","","","","","1.239","","","","has coordinates","237061","2020-10-21","18:00:00",""
"1554251","11.695","0.002","19.14","0.004","15.289","0.003","90","","111.7","0.03","90","","3179.8","1.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 N4 O4 S -","- C37 H36 N4 O4 S -","- C148 H144 N16 O16 S4 -","4","1","","Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","An ESIPT-based fluorescent switch with AIEE, solvatochromism, mechanochromism and photochromism","Materials Chemistry Frontiers","2019","3","4","620","","10.1039/C8QM00633D","","","0.71073","MoKα","","0.082","0.0736","","","0.1812","0.1868","","","","","","1.131","","","","has coordinates,has disorder","237064","2020-10-21","18:00:00",""
"1554252","8.9145","0.0003","13.2762","0.0004","14.5859","0.0005","110.467","0.002","98.648","0.002","96.716","0.002","1571.88","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C90 H58 N10 -","2","1","","Cao, Chen; Chen, Wen-Cheng; Tian, Shuang; Chen, Jia-Xiong; Wang, Zhong-Yi; Zheng, Xu-Hui; Ding, Chong-Wei; Li, Jing-Hong; Zhu, Jie-Ji; Zhu, Ze-Lin; Tong, Qing-Xiao; Lee, Chun-Sing","A novel D‒π‒A blue fluorophore based on [1,2,4]triazolo[1,5-a]pyridine as an electron acceptor and its application in organic light-emitting diodes","Materials Chemistry Frontiers","2019","3","6","1071","","10.1039/C8QM00678D","","","1.54178","CuKα","","0.069","0.0588","","","0.1557","0.1674","","","","","","0.975","","","","has coordinates","237065","2020-10-21","18:00:00",""
"1554403","5.5091","0.0007","7.2665","0.0008","16.992","0.002","80.823","0.005","83.934","0.004","78.863","0.004","656.9","0.14","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Dutta, Soumya; Mondal, Manas; Ghosh, Tubai; Saha, Amit","Unprecedented thiocarbamidation of nitroarenes: a facile one-pot route to unsymmetrical thioureas","Organic Chemistry Frontiers","2019","6","1","70","","10.1039/C8QO00752G","","","0.71073","MoKα","","0.1205","0.1014","","","0.2704","0.2926","","","","","","1.091","","","","has coordinates","237196","2020-10-21","18:00:00",""
"1554419","15.853","0.003","12.375","0.002","7.3639","0.0012","90","","90","","90","","1444.7","0.4","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","","Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.","Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism","Organic Chemistry Frontiers","2019","6","1","134","","10.1039/C8QO00820E","","","0.71073","MoKα","","0.0757","0.0456","","","0.0892","0.1032","","","","","","1.011","","","","has coordinates","237221","2020-10-21","18:00:00",""
"1554420","8.0844","0.0004","19.8817","0.001","10.2123","0.0005","90","","109.061","0.002","90","","1551.44","0.13","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","","Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.","Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism","Organic Chemistry Frontiers","2019","6","1","134","","10.1039/C8QO00820E","","","0.71073","MoKα","","0.0722","0.0486","","","0.1072","0.1218","","","","","","0.988","","","","has coordinates","237221","2020-10-21","18:00:00",""
"1554437","9.1009","0.0001","17.5658","0.0002","8.1862","0.0001","90","","103.294","0.001","90","","1273.61","0.03","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-hydroxy-7-methoxy-2-(methylthio)quinoline-3-carboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0726","0.0558","","","0.1285","0.1368","","","","","","1.079","","","","has coordinates","237237","2020-10-21","18:00:00",""
"1554438","7.2268","0.0003","9.0737","0.0004","10.4696","0.0004","80.813","0.002","84.674","0.002","88.958","0.003","674.8","0.05","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","Methyl 8-methoxy-2-(methylthio)-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C26 H30 N2 O10 S2 -","2","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0589","0.0511","","","0.1476","0.1552","","","","","","1.054","","","","has coordinates","237237","2020-10-21","18:00:00",""
"1554439","7.2412","0.0009","9.7236","0.0012","11.4552","0.0015","85.64","0.006","87.406","0.006","77.183","0.006","783.86","0.17","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","Methyl 8-methoxy-2-(methylsulfinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C13 H19 N O8 S -","- C13 H19 N O8 S -","- C26 H38 N2 O16 S2 -","2","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0509","0.0429","","","0.1227","0.1289","","","","","","1.077","","","","has coordinates","237237","2020-10-21","18:00:00",""
"1554440","6.6266","0.0006","18.2993","0.0015","11.8645","0.001","90","","99.67","0.006","90","","1418.3","0.2","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 5-methoxy-2-(methylsulfinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C16 H13 N O5 S -","- C16 H13 N O5 S -","- C64 H52 N4 O20 S4 -","4","1","","Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung","Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones","Organic Chemistry Frontiers","2019","6","2","183","","10.1039/C8QO00884A","","","0.71073","MoKα","","0.0963","0.0785","","","0.2396","0.2512","","","","","","1.103","","","","has coordinates","237237","2020-10-21","18:00:00",""
"1554446","10.9778","0.0007","16.148","0.001","17.5888","0.0011","90","","106.231","0.0016","90","","2993.7","0.3","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 N3 P2 Rh -","- C31 H44 N3 P2 Rh -","- C124 H176 N12 P8 Rh4 -","4","1","","Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei","Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex","Organic Chemistry Frontiers","2019","6","6","721","","10.1039/C8QO00892B","","","1.54178","CuKα","","0.0345","0.0339","","","0.0932","0.0937","","","","","","1.047","","","","has coordinates,has disorder","237242","2020-10-21","18:00:00",""
"1554447","29.2408","0.0009","13.8295","0.0004","25.4214","0.0007","90","","120.925","0.001","90","","8818.6","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H120 N6 O3 P4 Rh2 -","- C92 H120 N6 O3 P4 Rh2 -","- C368 H480 N24 O12 P16 Rh8 -","4","0.5","","Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei","Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex","Organic Chemistry Frontiers","2019","6","6","721","","10.1039/C8QO00892B","","","1.54178","CuKα","","0.0288","0.0276","","","0.0752","0.0763","","","","","","1.015","","","","has coordinates","237242","2020-10-21","18:00:00",""
"1554449","12.2395","0.0019","14.363","0.002","18.399","0.003","89.442","0.003","89.312","0.002","88.419","0.003","3232.9","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 I N2 Ru -","- C30 H37 I N2 Ru -","- C120 H148 I4 N8 Ru4 -","4","2","","Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis","Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines","Organic Chemistry Frontiers","2019","6","5","563","","10.1039/C8QO00902C","","","0.71073","MoKα","","0.0941","0.0641","","","0.1851","0.2175","","","","","","1.002","","","","has coordinates","237246","2020-10-21","18:00:00",""
"1554450","15.329","0.002","7.7727","0.001","21.254","0.003","90","","95.269","0.002","90","","2521.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 I N2 Ru -","- C27 H31 I N2 Ru -","- C108 H124 I4 N8 Ru4 -","4","1","","Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis","Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines","Organic Chemistry Frontiers","2019","6","5","563","","10.1039/C8QO00902C","","","0.71073","MoKα","","0.0375","0.0299","","","0.0729","0.0763","","","","","","1.036","","","","has coordinates","237246","2020-10-21","18:00:00",""
"1554463","8.892","0.012","9.668","0.01","13.91","0.02","86.33","0.05","86.29","0.04","67.91","0.04","1105","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C54 H50 N2 O6 S2 -","2","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0862","0.0477","","","0.1076","0.1226","","","","","","1.029","","","","has coordinates","237254","2020-10-21","18:00:00",""
"1554464","7.6023","0.0004","7.8229","0.0004","16.7412","0.0009","85.307","0.002","84.129","0.002","85.07","0.002","984.06","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N O3 S -","- C22 H25 N O3 S -","- C44 H50 N2 O6 S2 -","2","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0583","0.0456","","","0.1183","0.1267","","","","","","1.001","","","","has coordinates","237254","2020-10-21","18:00:00",""
"1554465","10.5059","0.0006","11.5524","0.0005","19.3292","0.0009","90","","99.812","0.002","90","","2311.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0784","0.0505","","","0.1215","0.1379","","","","","","1.035","","","","has coordinates","237254","2020-10-21","18:00:00",""
"1554466","8.6751","0.0005","21.9074","0.0013","12.355","0.0005","90","","107.893","0.001","90","","2234.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O3 S -","- C25 H29 N O3 S -","- C100 H116 N4 O12 S4 -","4","1","","Beltran, Frédéric; Andna, Lucile; Miesch, Laurence","Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts","Organic Chemistry Frontiers","2019","6","3","373","","10.1039/C8QO00937F","","","0.71073","MoKα","","0.0905","0.0654","","","0.1575","0.1784","","","","","","1.012","","","","has coordinates","237254","2020-10-21","18:00:00",""
"1554485","6.1036","0.0004","12.5506","0.0007","21.976","0.0013","90","","90","","90","","1683.45","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Yang, Qian; Hu, Kun; Yan, Bing-Chao; Liu, Miao; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","Maoeriocalysins A‒D, four novel ent-kaurane diterpenoids from Isodon eriocalyx and their structure determination utilizing quantum chemical calculation in conjunction with quantitative interproton distance analysis","Organic Chemistry Frontiers","2019","6","1","45","","10.1039/C8QO01007B","","","1.54178","CuKα","","0.0356","0.0353","","","0.0939","0.0942","","","","","","1.072","","","","has coordinates","237272","2020-10-21","18:00:00",""
"1554489","7.4865","0.0008","11.7277","0.0013","20.913","0.003","90","","90","","90","","1836.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0552","0.0436","","","0.0997","0.108","","","","","","1.106","","","","has coordinates","237278","2020-10-21","18:00:00",""
"1554490","8.4745","0.0007","13.483","0.0013","12.5515","0.0012","90","","96.566","0.003","90","","1424.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F N5 O2 -","- C16 H12 F N5 O2 -","- C64 H48 F4 N20 O8 -","4","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0581","0.0443","","","0.1115","0.1196","","","","","","1.046","","","","has coordinates","237278","2020-10-21","18:00:00",""
"1554491","6.185","0.002","7.487","0.002","18.728","0.006","90","","96.138","0.011","90","","862.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F N3 -","- C9 H7 F N4 -","- C36 H28 F4 N16 -","4","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0746","0.0546","","","0.1129","0.1211","","","","","","1.05","","","","has coordinates","237278","2020-10-21","18:00:00",""
"1554492","27.38","0.03","26.9","0.03","24.03","0.03","90","","90","","90","","17699","4","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C70 H56 Ag5 Cl2 N6 P4 -","- C70 H56 Ag5 Cl2 N6 P4 -","- C560 H448 Ag40 Cl16 N48 P32 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0794","0.0647","","","0.1672","0.1826","","","","","","1.112","","","","has coordinates,has disorder","237278","2020-10-21","18:00:00",""
"1554493","3.9188","0.0004","12.5127","0.0013","15.3057","0.0015","101.08","0.005","96.416","0.005","92.665","0.005","730.13","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong","ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes","Organic Chemistry Frontiers","2019","6","4","432","","10.1039/C8QO01068D","","","0.71073","MoKα","","0.0531","0.0459","","","0.1268","0.1325","","","","","","1.064","","","","has coordinates","237282","2020-10-21","18:00:00",""
"1554494","10.5762","0.0007","7.8869","0.0006","19.9879","0.0016","90","","91.535","0.003","90","","1666.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong","ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes","Organic Chemistry Frontiers","2019","6","4","432","","10.1039/C8QO01068D","","","0.71073","MoKα","","0.048","0.0377","","","0.0832","0.0897","","","","","","1.05","","","","has coordinates","237282","2020-10-21","18:00:00",""
"1554495","9.1577","0.0009","10.7173","0.0007","13.3021","0.001","106.893","0.003","91.497","0.004","91.349","0.003","1248.12","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C50 H40 N8 O4 -","2","1","","Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong","ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes","Organic Chemistry Frontiers","2019","6","4","432","","10.1039/C8QO01068D","","","0.71073","MoKα","","0.1257","0.1087","","","0.2187","0.2278","","","","","","1.101","","","","has coordinates","237282","2020-10-21","18:00:00",""
"1554496","8.5256","0.0003","16.9053","0.0005","8.9274","0.0003","90","","112.31","0.004","90","","1190.37","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Xu, Jianfeng; Peng, Jingyi; He, Chonglong; Ren, Hongjun","N-Heterocyclic carbene catalyzed chemo- and enantioselective cross-benzoin reaction of aldehydes with isatins","Organic Chemistry Frontiers","2019","6","2","172","","10.1039/C8QO01085D","","","1.54184","CuKα","","0.0359","0.0348","","","0.0962","0.0974","","","","","","1.045","","","","has coordinates","237284","2020-10-21","18:00:00",""
"1554497","12.268","0.002","8.6753","0.0017","37.965","0.007","90","","92.878","0.003","90","","4035.5","1.3","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cl3 O P S3 -","- C18 H12 Cl3 O P S3 -","- C144 H96 Cl24 O8 P8 S24 -","8","1","","Lu, Guozhang; Chen, Jun; Huangfu, Xinlei; Li, Xueyan; Fang, Meijuan; Tang, Guo; Zhao, Yufen","Visible-light-mediated direct synthesis of phosphorotrithioates as potent anti-inflammatory agents from white phosphorus","Organic Chemistry Frontiers","2019","6","2","190","","10.1039/C8QO01087K","","","0.71073","MoKα","","0.0596","0.0534","","","0.1351","0.139","","","","","","1.148","","","","has coordinates","237286","2020-10-21","18:00:00",""
"1554498","25.2058","0.0019","7.2704","0.0006","19.2306","0.0015","90","","105.306","0.002","90","","3399.1","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H42 Cl2 O7 -","- C38 H42 Cl2 O7 -","- C152 H168 Cl8 O28 -","4","1","","Fan, Jian-Hong; Hu, Ya-Jian; Guo, Qiang; Li, Shaoping; Zhao, Jing; Li, Chuang-Chuang","Asymmetric synthesis of the tetracyclic core of bufogargarizin C by an intramolecular [5 + 2] cycloaddition","Organic Chemistry Frontiers","2019","6","1","22","","10.1039/C8QO01089G","","x-ray","0.71073","MoKα","","0.0433","0.0408","","","0.0936","0.0945","","","","","","1.107","","","","has coordinates","237288","2020-10-21","18:00:00",""
"1554499","7.8836","0.0005","12.2399","0.0008","11.1988","0.0008","90","","90.174","0.002","90","","1080.62","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 N O2 P -","- C27 H22 N O2 P -","- C54 H44 N2 O4 P2 -","2","1","","Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping","Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides","Organic Chemistry Frontiers","2019","6","2","236","","10.1039/C8QO01098F","","","0.71073","MoKα","","0.0275","0.0269","","","0.0732","0.0738","","","","","","1.026","","","","has coordinates","237291","2020-10-21","18:00:00",""
"1554500","6.0253","0.0006","9.0011","0.0009","10.3679","0.0011","75.005","0.003","76.437","0.003","89.09","0.003","527.4","0.09","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 N O2 P -","- C27 H22 N O2 P -","- C27 H22 N O2 P -","1","1","","Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping","Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides","Organic Chemistry Frontiers","2019","6","2","236","","10.1039/C8QO01098F","","","0.71073","MoKα","","0.0488","0.0427","","","0.085","0.0879","","","","","","1.067","","","","has coordinates","237291","2020-10-21","18:00:00",""
"1554501","23.47","0.002","9.9387","0.0006","17.2934","0.0012","90","","123.484","0.007","90","","3364.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 F3 O4 -","- C19 H15 F3 O4 -","- C152 H120 F24 O32 -","8","1","","Chen, Yueji; You, Yi; Weng, Zhiqiang","Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities","Organic Chemistry Frontiers","2019","6","2","213","","10.1039/C8QO01118D","","","0.71073","MoKα","","0.0537","0.0407","","","0.1194","0.1456","","","","","","1.13","","","","has coordinates","237293","2020-10-21","18:00:00",""
"1554502","13.7491","0.0016","5.8303","0.0005","21.42","0.003","90","","105.814","0.012","90","","1652.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br2 F2 O2 -","- C17 H12 Br2 F2 O2 -","- C68 H48 Br8 F8 O8 -","4","1","","Chen, Yueji; You, Yi; Weng, Zhiqiang","Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities","Organic Chemistry Frontiers","2019","6","2","213","","10.1039/C8QO01118D","","","0.71073","MoKα","","0.1837","0.0882","","","0.1408","0.1687","","","","","","1.017","","","","has coordinates","237293","2020-10-21","18:00:00",""
"1554503","21.2879","0.0007","7.5138","0.0004","11.5723","0.0006","90","","90","","90","","1851.02","0.15","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Shoji, Taku; Araki, Takanori; Iida, Nanami; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Okujima, Tetsuo","Synthesis of azulenophthalimides by phosphine-mediated annulation of 1,2-diformylazulenes with maleimides","Organic Chemistry Frontiers","2019","6","2","195","","10.1039/C8QO01121D","","","0.71075","MoKα","","0.0612","0.0492","","","0.1036","0.1087","","","","","","1.028","","","","has coordinates","237295","2020-10-21","18:00:00",""
"1554504","25.2081","0.0012","25.2081","0.0012","30.11","0.0016","90","","90","","120","","16570","1.4","101","2","101","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C68 H68 Cl6 N4 O10 P2 -","- C68 H68 Cl6 N4 O10 P2 -","- C612 H612 Cl54 N36 O90 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0688","0.0656","","","0.1913","0.1949","","","","","","0.996","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554505","19.7346","0.0013","19.9943","0.0012","14.9829","0.0007","90","","110.36","0.002","90","","5542.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H66 I N2 O4 P2 -","- C66 H66 I N2 O4 P2 -","- C264 H264 I4 N8 O16 P8 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","0.71073","MoKα","","0.0664","0.0566","","","0.1493","0.1555","","","","","","1.039","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554506","10.967","0.0006","15.8648","0.001","20.3172","0.0011","90","","105.084","0.003","90","","3413.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Br Cl3 N O2 P -","- C34 H34 Br Cl3 N O2 P -","- C136 H136 Br4 Cl12 N4 O8 P4 -","4","1","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0818","0.063","","","0.1632","0.1801","","","","","","1.042","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554507","19.664","0.0005","19.9512","0.0006","15.5025","0.0004","90","","111.125","0.001","90","","5673.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H66 F6 N2 O4 P3 -","- C66 H66 F6 N2 O4 P3 -","- C264 H264 F24 N8 O16 P12 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0587","0.0565","","","0.154","0.1587","","","","","","1.066","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554508","24.8062","0.0009","24.8062","0.0009","30.0418","0.0011","90","","90","","120","","16009.5","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Cl N2 O7.33 P2 -","- C66 H66 Cl1.00013 N2 O7.33333 P2 -","- C594 H594 Cl9.0012 N18 O66 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1453","0.1377","","","0.4022","0.4169","","","","","","2.015","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554509","15.5817","0.0005","20.6208","0.0006","22.0566","0.0007","90","","90","","90","","7086.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H86 F12 N2 O6 P4 -","- C74 H86 F12 N2 O6 P4 -","- C296 H344 F48 N8 O24 P16 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1075","0.1029","","","0.2711","0.2756","","","","","","1.046","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554510","14.2234","0.0009","15.5567","0.0011","12.5242","0.0008","90","","108.744","0.002","90","","2624.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 N2 O4 P2 -","- C66 H66 N2 O4 P2 -","- C132 H132 N4 O8 P4 -","2","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0775","0.0711","","","0.2076","0.2176","","","","","","1.119","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554511","24.7543","0.0007","24.7543","0.0007","30.0212","0.0009","90","","90","","120","","15931.6","0.8","100","","99.99","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Br N2 O4 P2 -","- C66 H66 Br0.990667 N2 O4 P2 -","- C594 H594 Br8.916 N18 O36 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54184","CuKα","","0.1455","0.1345","","","0.3998","0.4175","","","","","","2.005","","","","has coordinates","237297","2020-10-21","18:00:00",""
"1554512","6.3585","0.0005","10.945","0.0011","17.5672","0.0013","90","","92.051","0.007","90","","1221.78","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N S -","- C12 H17 N S -","- C48 H68 N4 S4 -","4","1","","Lai, Miao; Wu, Zhiyong; Wang, Yizhi; Zheng, Ying; Zhao, Mingqin","Selective synthesis of aryl thioamides and aryl-α-ketoamides from α-oxocarboxylic acids and tetraalkylthiuram disulfides: an unexpected chemoselectivity from aryl sulfonyl chlorides","Organic Chemistry Frontiers","2019","6","4","506","","10.1039/C8QO01127C","","x-ray","1.54184","CuKα","","0.076","0.0566","","","0.1577","0.1751","","","","","","1.039","","","","has coordinates,has disorder","237299","2020-10-21","18:00:00",""
"1554513","10.687","0.008","12.035","0.009","14.902","0.011","90","","90","","90","","1917","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Huang, Huicai; Lu, Xue; Mao, Yukang; Ye, Jinxing","Asymmetric synthesis of highly functionalized furanones via direct Michael reactions mediated by a bulky primary amine","Organic Chemistry Frontiers","2019","6","8","1080","","10.1039/C8QO01132J","","","0.71073","MoKα","","0.0873","0.0517","","","0.1255","0.1398","","","","","","1.008","","","","has coordinates","237301","2020-10-21","18:00:00",""
"1554514","10.4344","0.0002","11.4942","0.0002","11.5277","0.0002","90","","90","","90","","1382.58","0.04","288.3","0.1","288.3","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.0333","0.0312","","","0.0783","0.0804","","","","","","1.062","","","","has coordinates","237302","2020-10-21","18:00:00",""
"1554515","8.431","0.0006","8.6965","0.0005","11.7742","0.0005","80.603","0.004","87.055","0.004","65.92","0.006","777.47","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C40 H40 O6 -","2","1","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.0425","0.0362","","","0.0912","0.0961","","","","","","1.045","","","","has coordinates","237302","2020-10-21","18:00:00",""
"1554516","9.8733","0.0007","10.3877","0.0007","37.781","0.002","90","","96.893","0.006","90","","3846.8","0.4","100","0.6","100","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 F O3 -","- C25 H21 F O3 -","- C200 H168 F8 O24 -","8","2","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.1466","0.0889","","","0.1572","0.1914","","","","","","1.026","","","","has coordinates","237302","2020-10-21","18:00:00",""
"1554517","23.63","0.002","42.848","0.004","5.8546","0.0005","90","","90","","90","","5927.8","0.9","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C304 H256 O32 -","16","1","","Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua","Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds","Organic Chemistry Frontiers","2019","6","4","437","","10.1039/C8QO01139G","","","0.71073","MoKα","","0.0497","0.0396","","","0.0922","0.0979","","","","","","1.073","","","","has coordinates","237304","2020-10-21","18:00:00",""
"1554518","10.476","0.011","15.249","0.018","11.317","0.013","90","","116.28","0.03","90","","1621","3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua","Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds","Organic Chemistry Frontiers","2019","6","4","437","","10.1039/C8QO01139G","","","0.71073","MoKα","","0.0851","0.0682","","","0.1841","0.2064","","","","","","1.054","","","","has coordinates,has disorder","237304","2020-10-21","18:00:00",""
"1554519","8.3257","0.0007","15.1988","0.0012","16.3404","0.0013","90","","95.005","0.004","90","","2059.8","0.3","303","2","303","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Zhu, Tong-Hao; Zhang, Xiao-Chen; Zhao, Kai; Loh, Teck-Peng","Cu(OTf)2-mediated C(sp2)‒H arylsulfonylation of enamides via the insertion of sulfur dioxide","Organic Chemistry Frontiers","2019","6","1","94","","10.1039/C8QO01144C","","","0.71073","MoKα","","0.0487","0.045","","","0.131","0.1373","","","","","","0.898","","","","has coordinates","237305","2020-10-21","18:00:00",""
"1554520","11.8106","0.0004","12.5767","0.0004","26.9924","0.001","90","","90","","90","","4009.4","0.2","100","0.3","100","0.3","","","","","","","Marine Sponge-Derived Fungus Aspergillus versicolor SCSIO 41016","4","P 21 21 21","P 2ac 2ab","19","(1R,4R)-4-benzyl-1-((S)-sec-butyl)-1-methoxy-1,2-dihydro-6H-pyrazino[2,1-b]quinazoline-3,6(4H)-dione","Brevianamide Y","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C184 H200 N24 O24 -","8","2","","Luo, Xiaowei; Chen, Chunmei; Tao, Huaming; Lin, Xiuping; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Structurally diverse diketopiperazine alkaloids from the marine-derived fungus Aspergillus versicolor SCSIO 41016","Organic Chemistry Frontiers","2019","6","6","736","","10.1039/C8QO01147H","","x-ray","1.54184","CuKα","","0.063","0.0501","","","0.1333","0.1414","","","","","","1.029","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554521","9.115","0.003","9.448","0.002","11.944","0.003","101.46","0.02","91.031","0.006","106.62","0.007","962.9","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C40 H46 N4 O6 P2 -","2","1","","Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu","Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines","Organic Chemistry Frontiers","2019","6","3","393","","10.1039/C8QO01148F","","","0.71073","MoKα","","0.0985","0.0841","","","0.2742","0.2831","","","","","","1.17","","","","has coordinates","237309","2020-10-21","18:00:00",""
"1554522","7.6453","0.0019","11.642","0.003","9.808","0.003","90","","102.969","0.008","90","","850.7","0.4","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H20 N O3 P -","- C18 H20 N O3 P -","- C36 H40 N2 O6 P2 -","2","1","","Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu","Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines","Organic Chemistry Frontiers","2019","6","3","393","","10.1039/C8QO01148F","","","0.71073","MoKα","","0.0904","0.0586","","","0.1416","0.1677","","","","","","0.883","","","","has coordinates","237309","2020-10-21","18:00:00",""
"1554523","27.337","0.003","6.1593","0.0004","20.343","0.002","90","","106.22","0.01","90","","3288.9","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 N6 O12 -","- C30 H36 N6 O12.004 -","- C120 H144 N24 O48.016 -","4","0.5","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.5418","CuKα","","0.0568","0.0466","","","0.1386","0.1599","","","","","","0.807","","","","has coordinates","237310","2020-10-21","18:00:00",""
"1554524","6.8698","0.0001","14.4541","0.0003","14.7842","0.0003","90","","95.204","0.002","90","","1461.97","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N6 O10 -","- C30 H36 N6 O10 -","- C60 H72 N12 O20 -","2","0.5","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.54184","CuKα","","0.0702","0.0513","","","0.1411","0.1714","","","","","","1.081","","","","has coordinates","237310","2020-10-21","18:00:00",""
"1554525","15.1627","0.0005","6.4915","0.0004","29.4057","0.0009","90","","90","","90","","2894.4","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H38 N6 O9 S2 -","- C26 H38 N6 O9 S2 -","- C104 H152 N24 O36 S8 -","4","1","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.54184","CuKα","","0.0311","0.0287","","","0.0741","0.0755","","","","","","0.973","","","","has coordinates","237310","2020-10-21","18:00:00",""
"1554526","11.4833","0.0006","7.3773","0.0005","13.116","0.0007","90","","96.533","0.004","90","","1103.92","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O8 -","- C21 H28 N2 O8 -","- C42 H56 N4 O16 -","2","1","","Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang","A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921","Organic Chemistry Frontiers","2019","6","6","773","","10.1039/C8QO01166D","","","1.54178","CuKα","","0.1605","0.1491","","","0.3396","0.3552","","","","","","1.408","","","","has coordinates","237312","2020-10-21","18:00:00",""
"1554527","6.1903","0.0012","13.744","0.003","32.103","0.006","90","","90","","90","","2731.3","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Br0 Cl N O4 -","- C32 H34 Cl N O4 -","- C128 H136 Cl4 N4 O16 -","4","1","","Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang","A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921","Organic Chemistry Frontiers","2019","6","6","773","","10.1039/C8QO01166D","","","1.54178","CuKα","","0.0353","0.034","","","0.0874","0.0887","","","","","","1.062","","","","has coordinates","237312","2020-10-21","18:00:00",""
"1554528","7.976","0.003","8.218","0.003","15.344","0.006","94.059","0.008","104.85","0.007","97.364","0.008","958.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C20 H16 F4 N20 O24 -","4","2","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0853","0.0448","","","0.0884","0.1034","","","","","","1.009","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554529","5.4659","0.0012","10.477","0.002","8.1322","0.0017","90","","94.857","0.004","90","","464.03","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C10 H8 F2 N10 O12 -","2","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0763","0.0431","","","0.0688","0.0781","","","","","","0.987","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554530","11.4331","0.0011","5.7212","0.0006","11.2434","0.0011","90","","90","","90","","735.44","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H3 F N6 O4 -","- C3 H3 F N6 O4 -","- C12 H12 F4 N24 O16 -","4","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.033","0.0289","","","0.0628","0.0648","","","","","","1.045","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554531","6.6055","0.0003","11.5186","0.0005","23.4809","0.001","90","","90","","90","","1786.57","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C40 H32 F8 N40 O48 -","8","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0368","0.0317","","","0.0837","0.0878","","","","","","1.039","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554532","14.3845","0.0014","4.3448","0.0004","23.199","0.002","90","","90","","90","","1449.9","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.051","0.0375","","","0.0747","0.0802","","","","","","1.035","","","","has coordinates","237315","2020-10-21","18:00:00",""
"1554533","21.0827","0.0015","8.2829","0.0006","8.2169","0.0004","90","","95.222","0.002","90","","1428.93","0.16","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","2","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.0603","0.0448","","","0.1034","0.1156","","","","","","1.013","","","","has coordinates","237315","2020-10-21","18:00:00",""
"1554534","9.2179","0.0004","10.4777","0.0005","14.2247","0.0007","100.062","0.002","92.031","0.002","103.287","0.002","1312.41","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Au Cl O2 P -","- C28 H33 Au Cl O2 P -","- C56 H66 Au2 Cl2 O4 P2 -","2","1","","Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung","Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides","Organic Chemistry Frontiers","2019","6","2","226","","10.1039/C8QO01175C","","","0.71073","MoKα","","0.0196","0.0186","","","0.0442","0.048","","","","","","1.137","","","","has coordinates","237315","2020-10-21","18:00:00",""
"1554535","11.0158","0.0017","12.13","0.0016","23.587","0.003","90","","90","","90","","3151.7","0.8","295.19","0.1","295.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl N O9 -","- C33 H32 Cl N O9 -","- C132 H128 Cl4 N4 O36 -","4","1","","Cao, Jian; Liu, Jin-Yu; Zhang, Yi-Ming; Wang, Zhu-Yin; Xu, Peng-Fei","Synergistic promotion by intramolecular hydrogen bonding: a bi-functionally catalyzed cascade reaction for the synthesis of enantiopure chromenopyrrolidines","Organic Chemistry Frontiers","2019","6","5","674","","10.1039/C8QO01208C","","","0.71073","MoKα","","0.1754","0.0917","","","0.2117","0.2924","","","","","","0.989","","","","has coordinates","237317","2020-10-21","18:00:00",""
"1554536","7.0667","0.0003","23.0878","0.001","21.9663","0.0007","90","","90","","90","","3583.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Br2 N O2 -","- C20 H15 Br2 N O2 -","- C160 H120 Br16 N8 O16 -","8","2","","Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo","Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines","Organic Chemistry Frontiers","2019","6","4","468","","10.1039/C8QO01212A","","x-ray","1.54178","CuKα","","0.048","0.0415","","","0.1039","0.1129","","","","","","1.042","","","","has coordinates","237318","2020-10-21","18:00:00",""
"1554537","5.2572","0.001","12.458","0.003","13.205","0.003","69.94","0.03","83.57","0.03","89.74","0.03","806.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C34 H34 Br2 N8 O2 -","2","1","","Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.","3,3-Diazidoenones ‒ new types of highly reactive bis-azides. Preparation and synthetic transformations","Organic Chemistry Frontiers","2019","6","3","335","","10.1039/C8QO01214H","","","0.9626","synchrotron","","0.0871","0.0615","","","0.1321","0.1567","","","","","","1.057","","","","has coordinates","237320","2020-10-21","18:00:00",""
"1554538","12.429","0.003","10.415","0.002","37.841","0.008","90","","90.13","0.03","90","","4898.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N2 O P -","- C27 H21 N2 O P -","- C216 H168 N16 O8 P8 -","8","2","","Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.","3,3-Diazidoenones ‒ new types of highly reactive bis-azides. Preparation and synthetic transformations","Organic Chemistry Frontiers","2019","6","3","335","","10.1039/C8QO01214H","","","0.9626","synchrotron","","0.0717","0.0524","","","0.1369","0.1567","","","","","","1.057","","","","has coordinates","237320","2020-10-21","18:00:00",""
"1554539","8.8134","0.0002","10.3559","0.0003","18.035","0.0004","100.993","0.002","95.022","0.002","92.933","0.002","1605.78","0.07","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 N2 O Si -","- C34 H44 N2 O Si -","- C68 H88 N4 O2 Si2 -","2","1","","Chen, Cui-Hong; Chai, Yun; Zhou, Zheng-Xin; Rao, Wei-Hao; Liu, Bin; Liu, Li; Xu, Ran; Liu, Yue-Jin; Zeng, Ming-Hua","Room-temperature Pd(ii)-catalyzed direct C‒H TIPS-ethynylation of phenylacetic amides with terminal alkynes","Organic Chemistry Frontiers","2019","6","4","442","","10.1039/C8QO01215F","","x-ray","1.54184","CuKα","","0.0943","0.0837","","","0.2634","0.2881","","","","","","1.199","","","","has coordinates","237322","2020-10-21","18:00:00",""
"1554540","44.902","0.003","11.1591","0.001","10.6337","0.0007","90","","90","","90","","5328.2","0.7","293","2","293.15","","","","","","","","","2","P m n 21","P 2ac -2","31","","","","- C35 H30 -","- C35 H30 -","- C280 H240 -","8","2","","Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe","[15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase","Organic Chemistry Frontiers","2019","6","3","309","","10.1039/C8QO01218K","","","0.71073","MoKα","","0.1151","0.0659","","","0.1395","0.1705","","","","","","1.034","","","","has coordinates","237323","2020-10-21","18:00:00",""
"1554541","11.372","0.0004","13.1796","0.0006","24.509","0.001","105.144","0.004","93.375","0.003","90.36","0.003","3538.8","0.3","296","2","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H36 -","- C42 H36 -","- C168 H144 -","4","2","","Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe","[15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase","Organic Chemistry Frontiers","2019","6","3","309","","10.1039/C8QO01218K","","","0.71073","MoKα","","0.1065","0.0559","","","0.1406","0.1715","","","","","","1.019","","","","has coordinates","237323","2020-10-21","18:00:00",""
"1554542","14.2625","0.0006","18.0213","0.0012","31.3062","0.0019","86.466","0.005","83.674","0.005","83.298","0.005","7933.2","0.8","173","1","173","1","","","","","","","","5","P -1","-P 1","2","2S1Se","2S1Se","","- C42 H54 O6 S2 Se -","- C42 H54 O6 S2.0001 Se0.9999 -","- C336 H432 O48 S16.0008 Se7.9992 -","8","4","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","0.71073","MoKα","","0.3577","0.1279","","","0.2179","0.3316","","","","","","0.978","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554543","17.4194","0.0002","8.2052","0.0001","28.3968","0.0004","90","","90.166","0.001","90","","4058.73","0.09","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2S1Se_Ester","2S1Se_Ester","","- C42 H54 O8 S2 Se -","- C42 H53.2 O8 S2 Se -","- C168 H212.8 O32 S8 Se4 -","4","1","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","1.54184","CuKα","","0.1591","0.1451","","","0.4154","0.4404","","","","","","1.954","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554544","12.1441","0.0008","16.8305","0.0009","20.8669","0.0013","98.844","0.005","91.448","0.005","102.981","0.005","4098.7","0.4","174","2","174","2","","","","","","","","5","P -1","-P 1","2","2Te1se","2Te1Se","","- C42 H54 O6 Se Te2 -","- C42 H54 O6 Se0.9999 Te2.0001 -","- C168 H216 O24 Se3.9996 Te8.0004 -","4","2","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","0.71073","MoKα","","0.222","0.1224","","","0.2831","0.3567","","","","","","1.05","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554545","14.2879","0.0004","18.0394","0.0007","31.4094","0.0008","86.414","0.002","83.365","0.002","83.373","0.002","7977.7","0.4","174","2","174","2","","","","","","","","5","P -1","-P 1","2","2Se1S","2Se1S","","- C42 H54 O6 S Se2 -","- C42 H54 O6 S0.9999 Se2.0001 -","- C336 H432 O48 S7.9992 Se16.0008 -","8","4","","Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng","Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity","Organic Chemistry Frontiers","2019","6","2","263","","10.1039/C8QO01220B","","","0.71073","MoKα","","0.147","0.0737","","","0.1493","0.1919","","","","","","1.024","","","","has coordinates,has disorder","237326","2020-10-21","18:00:00",""
"1554546","13.0718","0.0011","15.5471","0.0013","10.5005","0.0009","90","","113.181","0.001","90","","1961.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br N2 O -","- C24 H19 Br N2 O -","- C96 H76 Br4 N8 O4 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.0703","0.043","","","0.0855","0.0951","","","","","","1.005","","","","has coordinates","237329","2020-10-21","18:00:00",""
"1554547","12.9966","0.0015","15.5319","0.0017","10.522","0.0012","90","","113.397","0.002","90","","1949.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C96 H76 Cl4 N8 O4 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.1316","0.0594","","","0.1392","0.1615","","","","","","0.835","","","","has coordinates","237329","2020-10-21","18:00:00",""
"1554548","9.5976","0.0009","10.3316","0.0009","13.9249","0.0013","90","","90","","90","","1380.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.0261","0.0251","","","0.0706","0.0713","","","","","","1.064","","","","has coordinates","237329","2020-10-21","18:00:00",""
"1554549","8.802","0.0005","9.9463","0.0007","10.213","0.0008","116.522","0.007","100.853","0.006","103.243","0.005","734.13","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","x-ray","0.71073","MoKα","","0.0591","0.048","","","0.1137","0.123","","","","","","1.04","","","","has coordinates","237329","2020-10-21","18:00:00",""
"1554550","33.58","0.005","13.96","0.002","8.0737","0.0013","90","","100.506","0.003","90","","3721.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl2 N O4 -","- C19 H19 Cl2 N O4 -","- C152 H152 Cl16 N8 O32 -","8","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.1178","0.0945","","","0.257","0.2749","","","","","","1.047","","","","has coordinates","237329","2020-10-21","18:00:00",""
"1554551","11.8513","0.0006","8.0917","0.0004","24.6768","0.0012","90","","90","","90","","2366.4","0.2","295.38","0.1","295.38","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C104 H176 O16 -","8","1","","He, Min; Yi, Jiuzhou; Zhao, Gaoyuan; Chen, Peiqi; Long, Dan; Hu, Xiaojun; Li, Huilin; Xie, Xingang; Wang, Xiaolei; She, Xuegong","A concise approach to the tricyclic framework of longipinane- and ent-longipinane-type sesquiterpenoids","Organic Chemistry Frontiers","2019","6","3","383","","10.1039/C8QO01235K","","","0.71073","MoKα","","0.0908","0.0642","","","0.152","0.1749","","","","","","1.066","","","","has coordinates","237331","2020-10-21","18:00:00",""
"1554552","9.1789","0.0003","10.574","0.0003","11.4116","0.0004","90","","91.684","0.003","90","","1107.11","0.06","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C50 H48 O10 S2 -","2","1","","Zhang, Nan; He, Tingting; Liu, Yidong; Li, Shan; Tan, Yu; Peng, Lei; Li, Dongmei; Shan, Chunhui; Yan, Hailong","Organocatalytic atropo- and E/Z-selective Michael addition reaction of ynones with α-amido sulfones as sulfone-type nucleophile","Organic Chemistry Frontiers","2019","6","4","451","","10.1039/C8QO01241E","","","0.71073","MoKα","","0.0639","0.0464","","","0.0909","0.1016","","","","","","1.046","","","","has coordinates","237333","2020-10-21","18:00:00",""
"1554553","9.809","0.008","9.877","0.008","9.925","0.008","66.084","0.014","65.463","0.014","64.347","0.015","758.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 F3 N O6 Se -","- C12 H10 F3 N O6 Se -","- C24 H20 F6 N2 O12 Se2 -","2","1","","Ge, Hangming; Shen, Qilong","Trifluoromethyl-substituted selenium ylide: a broadly applicable electrophilic trifluoromethylating reagent","Organic Chemistry Frontiers","2019","6","13","2205","","10.1039/C8QO01249K","","","0.71073","MoKα","","0.0583","0.0435","","","0.093","0.0982","","","","","","1.001","","","","has coordinates","237335","2020-10-21","18:00:00",""
"1554554","10.5315","0.0008","7.0899","0.0004","12.4878","0.0012","90","","105.29","0.008","90","","899.43","0.13","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O S -","- C20 H29 N O S -","- C40 H58 N2 O2 S2 -","2","1","","Qin, Shuanglin; Liu, Tongtong; Luo, Yunhao; Jiang, Shende; Yang, Guang","Diastereoselective Rh-catalyzed decarboxylative allylation to form quaternary stereocenters using sulfinimine as the directing group","Organic Chemistry Frontiers","2019","6","6","732","","10.1039/C8QO01258J","","","0.71073","MoKα","","0.0454","0.0372","","","0.0829","0.0865","","","","","","1.027","","","","has coordinates","237336","2020-10-21","18:00:00",""
"1554555","41.982","0.002","8.4505","0.0002","16.3226","0.0009","90","","123.085","0.008","90","","4851.8","0.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N3 Si -","- C26 H31 N3 Si -","- C208 H248 N24 Si8 -","8","1","","Wu, Wanqing; Fang, Songjia; Jiang, Guangbin; Li, Meng; Jiang, Huanfeng","Palladium-catalyzed regioselective C‒H alkynylation of indoles with bromoalkynes in water","Organic Chemistry Frontiers","2019","6","13","2200","","10.1039/C8QO01261J","","x-ray","0.71073","MoKα","","0.104","0.0955","","","0.2461","0.2565","","","","","","1.028","","","","has coordinates","237338","2020-10-21","18:00:00",""
"1554556","5.7768","0.0005","26.401","0.002","15.2336","0.0014","90","","95.248","0.002","90","","2313.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","1","","Ji, Cheng-Long; Pan, Yao; Geng, Fang-Zhou; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Synergistic silver/scandium catalytic spiroketalization of β-alkynyl ketones for the atom economical synthesis of skeletally diverse spirocyclic isochromenes","Organic Chemistry Frontiers","2019","6","4","474","","10.1039/C8QO01277F","","","0.71073","MoKα","","0.1742","0.0652","","","0.069","0.0817","","","","","","1.006","","","","has coordinates","237339","2020-10-21","18:00:00",""
"1554557","31.1655","0.0005","8.4946","0.0001","13.3472","0.0002","90","","98.752","0.002","90","","3492.37","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C168 H168 N8 O16 S8 -","8","1","","Wu, Feng; Chen, Lianfen; Wang, Yongdong; Zhu, Shifa","Gold-catalyzed generation of azafulvenium from an enyne sulfonamide: rapid access to fully substituted pyrroles","Organic Chemistry Frontiers","2019","6","4","480","","10.1039/C8QO01278D","","x-ray","1.54184","CuKα","","0.0434","0.0423","","","0.1101","0.1111","","","","","","1.082","","","","has coordinates","237340","2020-10-21","18:00:00",""
"1554558","8.6549","0.0005","18.21","0.0011","11.9124","0.0006","90","","94.769","0.005","90","","1870.96","0.18","172.95","0.1","172.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O3 S -","- C21 H18 Br N O3 S -","- C84 H72 Br4 N4 O12 S4 -","4","1","","Wu, Feng; Chen, Lianfen; Wang, Yongdong; Zhu, Shifa","Gold-catalyzed generation of azafulvenium from an enyne sulfonamide: rapid access to fully substituted pyrroles","Organic Chemistry Frontiers","2019","6","4","480","","10.1039/C8QO01278D","","x-ray","1.54184","CuKα","","0.0832","0.0759","","","0.2101","0.2302","","","","","","1.017","","","","has coordinates","237340","2020-10-21","18:00:00",""
"1554559","9.7904","0.0003","10.7882","0.0004","12.3517","0.0004","83.891","0.001","69.723","0.001","84.499","0.001","1214.36","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O2 Si -","- C28 H36 N2 O2 Si -","- C56 H72 N4 O4 Si2 -","2","1","","Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang","Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C‒H activation","Organic Chemistry Frontiers","2019","6","5","699","","10.1039/C8QO01279B","","","1.54178","cukα","","0.037","0.0364","","","0.0926","0.093","","","","","","1.037","","","","has coordinates","237342","2020-10-21","18:00:00",""
"1554560","9.9601","0.0004","10.6766","0.0003","11.8691","0.0004","74.393","0.001","85.571","0.001","88.958","0.001","1211.99","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N O4 Si -","- C27 H31 N O4 Si -","- C54 H62 N2 O8 Si2 -","2","1","","Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang","Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C‒H activation","Organic Chemistry Frontiers","2019","6","5","699","","10.1039/C8QO01279B","","","0.71073","MoKα","","0.0708","0.0582","","","0.1647","0.1781","","","","","","1.031","","","","has coordinates","237342","2020-10-21","18:00:00",""
"1554561","8.24","0.0004","10.3859","0.0004","17.7438","0.0008","90","","95.373","0.004","90","","1511.84","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 N4 O4 S2 -","- C31 H24 Cl2 N4 O4 S2 -","- C62 H48 Cl4 N8 O8 S4 -","2","0.5","","Han, Shuaijun; Gao, Xianying; Wu, Qingsong; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Nickel-promoted C(2)‒H amidation of quinoline N-oxides with N-fluorobenzenesulfonimide","Organic Chemistry Frontiers","2019","6","6","830","","10.1039/C8QO01281D","","x-ray","1.54184","CuKα","","0.0771","0.0642","","","0.1813","0.1981","","","","","","1.049","","","","has coordinates","237344","2020-10-21","18:00:00",""
"1554562","25.795","0.004","9.144","0.0015","21.256","0.004","90","","90","","90","","5013.6","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H28 Cl N4 O2.5 Pd -","- C25.5 H25 Cl N4 O2.5 Pd -","- C204 H200 Cl8 N32 O20 Pd8 -","8","2","","Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)–H and C(sp3)–H bonds of carboxamides","Organic Chemistry Frontiers","2019","6","4","544","","10.1039/C8QO01290C","","","0.71073","MoKα","","0.0827","0.072","","","0.2088","0.2181","","","","","","1.088","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1554563","26.203","0.004","10.644","0.0015","30.852","0.004","90","","106.633","0.002","90","","8245","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 Br N2 -","- C18 H11 Br N2 -","- C432 H264 Br24 N48 -","24","3","","Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)‒H and C(sp3)‒H bonds of carboxamides","Organic Chemistry Frontiers","2019","6","4","544","","10.1039/C8QO01290C","","","0.71073","MoKα","","0.0794","0.0469","","","0.098","0.1102","","","","","","1.022","","","","has coordinates","237346","2020-10-21","18:00:00",""
"1554564","5.712","0.004","15.28","0.013","8.28","0.005","90","","104.192","0.015","90","","700.6","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Sun, Yongjie; Jiang, Jun; Guo, Xiaochong; Wen, Jialin; Zhang, Xumu","Asymmetric hydrogenation of α,β-unsaturated sulfones by a rhodium/thiourea‒bisphosphine complex","Organic Chemistry Frontiers","2019","6","9","1438","","10.1039/C8QO01291A","","x-ray","0.71073","MoKα","","0.0256","0.0246","","","0.0619","0.0623","","","","","","1.043","","","","has coordinates","237348","2020-10-21","18:00:00",""
"1554565","13.6813","0.0019","13.6813","0.0019","29.053","0.006","90","","90","","90","","5438.1","1.5","173","2","173.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C256 H216 N8 O32 S8 -","8","1","","Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song","Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones","Organic Chemistry Frontiers","2019","6","3","405","","10.1039/C8QO01302K","","","0.71073","MoKα","","0.0573","0.0562","","","0.1116","0.1119","","","","","","1.238","","","","has coordinates","237350","2020-10-21","18:00:00",""
"1554566","11.043","0.003","14.753","0.005","17.258","0.005","90","","90","","90","","2811.6","1.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 S -","- C33 H29 N O4 S -","- C132 H116 N4 O16 S4 -","4","1","","Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song","Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones","Organic Chemistry Frontiers","2019","6","3","405","","10.1039/C8QO01302K","","","0.71073","MoKα","","0.0804","0.0755","","","0.1196","0.1217","","","","","","1.27","","","","has coordinates","237350","2020-10-21","18:00:00",""
"1554567","9.1375","0.0001","13.1527","0.0002","16.354","0.0003","95.187","0.001","95.294","0.001","103.04","0.001","1894.04","0.05","100","0.18","100","0.18","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","2","","Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin","Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae","Organic Chemistry Frontiers","2019","6","5","591","","10.1039/C8QO01306C","","x-ray","1.54184","CuKα","","0.0398","0.0375","","","0.0984","0.1009","","","","","","1.049","","","","has coordinates","237352","2020-10-21","18:00:00",""
"1554568","13.8718","0.0006","9.6965","0.0005","13.8978","0.0007","90","","92.204","0.004","90","","1867.98","0.16","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C18 H17 Cl3 O5 -","- C18 H17 Cl3 O5 -","- C72 H68 Cl12 O20 -","4","2","","Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin","Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae","Organic Chemistry Frontiers","2019","6","5","591","","10.1039/C8QO01306C","","x-ray","1.54184","CuKα","","0.0925","0.0821","","","0.2023","0.2154","","","","","","1.063","","","","has coordinates","237352","2020-10-21","18:00:00",""
"1554569","21.469","0.004","29.096","0.006","28.543","0.006","90","","95.17","0.03","90","","17757","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C172 H203 N13 O10 P2 -","- C172 H203 N13 O10 P2 -","- C688 H812 N52 O40 P8 -","4","0.5","","Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung","Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers","Organic Chemistry Frontiers","2019","6","3","299","","10.1039/C8QO01307A","","","0.7","synchrotron","","0.1761","0.0712","","","0.1519","0.1857","","","","","","0.828","","","","has coordinates,has disorder","237355","2020-10-21","18:00:00",""
"1554570","21.505","0.004","29.114","0.006","28.751","0.006","90","","94.83","0.03","90","","17937","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Inverted_pyridine_heptamer","","- C173 H203 N13 O10 P2 -","- C173 H203 N13 O10 P2 -","- C692 H812 N52 O40 P8 -","4","0.5","","Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung","Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers","Organic Chemistry Frontiers","2019","6","3","299","","10.1039/C8QO01307A","","","0.7","synchrotron","","0.1314","0.0904","","","0.2576","0.2822","","","","","","1.017","","","","has coordinates,has disorder","237355","2020-10-21","18:00:00",""
"1554571","8.968","0.0015","9.084","0.0016","14.804","0.002","90","","105.357","0.004","90","","1163","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","","Zu, Weisai; Liu, Shuai; Jia, Xin; Xu, Liang","Chemoselective N-arylation of aminobenzene sulfonamides via copper catalysed Chan‒Evans‒Lam reactions","Organic Chemistry Frontiers","2019","6","9","1356","","10.1039/C8QO01313F","","","0.71073","MoKα","","0.0587","0.0416","","","0.0921","0.1012","","","","","","1.026","","","","has coordinates","237357","2020-10-21","18:00:00",""
"1554572","8.0275","0.0015","8.0254","0.0017","12.699","0.003","90","","101.787","0.007","90","","800.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C38 H30 N2 O4 S2 -","2","1","","Zhao, Zi-Biao; Shi, Lei; Meng, Fan-Jie; Li, Yaming; Zhou, Yong-Gui","Synthesis of chiral seven-membered cyclic sulfonamides through palladium-catalyzed arylation of cyclic imines","Organic Chemistry Frontiers","2019","6","10","1572","","10.1039/C8QO01323C","","","0.71073","MoKα","","0.0292","0.0285","","","0.0777","0.0784","","","","","","1.056","","","","has coordinates","237358","2020-10-21","18:00:00",""
"1554573","6.9308","0.0008","6.9507","0.0008","11.8464","0.0014","84.194","0.006","79.023","0.006","64.094","0.006","503.84","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C20 H26 N2 O6 -","2","2","","Yang, Wu-Lin; Sun, Zhong-Tao; Zhang, Jian; Li, Zhong; Deng, Wei-Ping","Enantioselective synthesis of 3-amino-hydrobenzofuran-2,5-diones via Cu(i)-catalyzed intramolecular conjugate addition of imino esters","Organic Chemistry Frontiers","2019","6","5","579","","10.1039/C8QO01335G","","","1.54178","CuKα","","0.0598","0.0514","","","0.1367","0.1453","","","","","","1.068","","","","has coordinates","237360","2020-10-21","18:00:00",""
"1554574","15.1538","0.0003","13.5668","0.0003","27.2737","0.0005","90","","92.794","0.002","90","","5600.5","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Mikki_PCM2_09_04_17","","","- C116 H162 Br F3 O12 -","- C116 H162 Br F3 O12 -","- C232 H324 Br2 F6 O24 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Chiral discrimination of 2-heptlyaminium salt by planar-chiral monohydroxy-functionalized pillar[5]arenes","Organic Chemistry Frontiers","2019","6","5","603","","10.1039/C8QO01343H","","","1.54178","CuKα","","0.1467","0.1071","","","0.2924","0.3259","","","","","","1.079","","","","has coordinates","237362","2020-10-21","18:00:00",""
"1554575","15.0627","0.0008","13.3599","0.0007","27.1554","0.0019","90","","94.396","0.007","90","","5448.6","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H162 Br F3 O12 -","- C116 H162 Br F3 O12 -","- C232 H324 Br2 F6 O24 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Chiral discrimination of 2-heptlyaminium salt by planar-chiral monohydroxy-functionalized pillar[5]arenes","Organic Chemistry Frontiers","2019","6","5","603","","10.1039/C8QO01343H","","","0.71075","MoKα","","0.1679","0.1101","","","0.2937","0.338","","","","","","1.112","","","","has coordinates","237362","2020-10-21","18:00:00",""
"1554576","7.15","0.005","11.643","0.007","12.098","0.008","90","","95.268","0.013","90","","1002.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","","Cao, Yuan; Liu, Jie; Liu, Fanmin; Jiang, Lvqi; Yi, Wenbin","Copper-catalyzed direct and odorless selenylation with a sodium selenite-based reagent","Organic Chemistry Frontiers","2019","6","6","825","","10.1039/C8QO01355A","","","0.71073","MoKα","","0.0668","0.0388","","","0.0928","0.1044","","","","","","1.051","","","","has coordinates","237364","2020-10-21","18:00:00",""
"1554577","5.799","0.003","7.486","0.004","10.479","0.006","90","","104.17","0.04","90","","441.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H9 F3 N2 -","- C9 H9 F3 N2 -","- C18 H18 F6 N4 -","2","1","","Chen, Mu-Wang; Deng, Zhihong; Yang, Qin; Huang, Jian; Peng, Yiyuan","Enantioselective synthesis of trifluoromethylated dihydroquinoxalinones via palladium-catalyzed hydrogenation","Organic Chemistry Frontiers","2019","6","6","746","","10.1039/C8QO01361F","","","1.54178","CuKα","","0.2357","0.0964","","","0.2635","0.3757","","","","","","1.398","","","","has coordinates","237366","2020-10-21","18:00:00",""
"1554578","9.1297","0.0008","10.326","0.0009","24.127","0.0018","90","","90","","90","","2274.5","0.3","123.2","0.2","123.2","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Xu, Lubin; Chen, Haohua; Liu, Jian; Zhou, Lan; Liu, Qing; Lan, Yu; Xiao, Jian","Chiral phosphoric acid-catalyzed asymmetric C(sp3)‒H functionalization of biomass-derived 2,5-dimethylfuran via two sequential Cope-type rearrangements","Organic Chemistry Frontiers","2019","6","8","1162","","10.1039/C8QO01375F","","","1.54184","CuKα","","0.0767","0.0574","","","0.1248","0.1388","","","","","","1.04","","","","has coordinates","237368","2020-10-21","18:00:00",""
"1554579","32.1461","0.0004","11.483","0.0001","8.0162","0.0001","90","","90","","90","","2959.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9.23 H13.23 O3.69 -","- C9.53846 H12.9231 O3.38462 -","- C124 H168 O44 -","13","3.25","","Zhang, Jia; He, Jun; Cheng, Yung-Chi; Zhang, Pei-Cheng; Yan, Yu; Zhang, Hao-Jun; Zhang, Wei-Ku; Xu, Jie-Kun","Fischernolides A‒D, four novel diterpene-based meroterpenoid scaffolds with antitumor activities from Euphorbia fischeriana","Organic Chemistry Frontiers","2019","6","14","2312","","10.1039/C8QO01379A","","","1.54184","CuKα","","0.0384","0.0379","","","0.1","0.1004","","","","","","1.1","","","","has coordinates","237370","2020-10-21","18:00:00",""
"1554580","11.351","0.002","11.9996","0.0017","21.215","0.003","90","","90","","90","","2889.6","0.8","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 Cl N5 O -","- C35 H26 Cl N5 O -","- C140 H104 Cl4 N20 O4 -","4","1","","Sun, Bing-Bing; Zhang, Jun-Qi; Chen, Jun-Bo; Fan, Wei-Tai; Yu, Jie-Qiang; Hu, Jia-Ming; Wang, Xing-Wang","Stereoselective synthesis of spirocyclohexadiene-pyrazolones via organic base and/or hydrogen bonding assisted [3 + 3] annulation reactions","Organic Chemistry Frontiers","2019","6","11","1842","","10.1039/C8QO01391H","","","0.71073","MoKα","","0.0864","0.064","","","0.1786","0.192","","","","","","1.078","","","","has coordinates","237372","2020-10-21","18:00:00",""
"1554581","9.3289","0.0004","10.9229","0.0005","12.8668","0.0006","87.237","0.001","78.614","0.001","85.681","0.001","1280.91","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl N4 O -","- C33 H23 Cl N4 O -","- C66 H46 Cl2 N8 O2 -","2","1","","Sun, Bing-Bing; Zhang, Jun-Qi; Chen, Jun-Bo; Fan, Wei-Tai; Yu, Jie-Qiang; Hu, Jia-Ming; Wang, Xing-Wang","Stereoselective synthesis of spirocyclohexadiene-pyrazolones via organic base and/or hydrogen bonding assisted [3 + 3] annulation reactions","Organic Chemistry Frontiers","2019","6","11","1842","","10.1039/C8QO01391H","","","0.71073","MoKα","","0.0479","0.0369","","","0.1022","0.1242","","","","","","1.148","","","","has coordinates","237372","2020-10-21","18:00:00",""
"1554582","7.9193","0.0001","15.3744","0.0002","16.4929","0.0002","90","","90","","90","","2008.08","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F3 N O4 S -","- C16 H14 F3 N O4 S -","- C64 H56 F12 N4 O16 S4 -","4","1","","Gui, Yang; Liang, Xinping; Li, Yanan; Li, Kuiliang; Zha, Zhenggen; Wang, Zhiyong","Asymmetric synthesis of fluoroalkylated N,O-ketals via an organocatalytic dehydration/aminalization/aza-Michael desymmetrization","Organic Chemistry Frontiers","2019","6","7","942","","10.1039/C8QO01397G","","","1.54184","CuKα","","0.0407","0.0401","","","0.1113","0.1125","","","","","","1.046","","","","has coordinates","237374","2020-10-21","18:00:00",""
"1554583","28.168","0.003","11.3424","0.0013","10.2126","0.0012","90","","90","","90","","3262.9","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Br N O4 P2 -","- C36 H32 Br N O4 P2 -","- C144 H128 Br4 N4 O16 P8 -","4","1","","Liu, Bing; Li, Wenbo; Wu, Hai-Hong; Zhang, Junliang","Enantiodivergent synthesis of 1,2-bis(diphenylphosphino)ethanes via asymmetric [3 + 2]-cycloaddition","Organic Chemistry Frontiers","2019","6","5","694","","10.1039/C8QO01404C","","","0.71073","MoKα","","0.0996","0.0581","","","0.1202","0.1385","","","","","","1.011","","","","has coordinates","237376","2020-10-21","18:00:00",""
"1554584","9.2282","0.0014","9.1743","0.0014","12.829","0.002","90","","109.724","0.003","90","","1022.4","0.3","120.15","","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C44 H40 Br2 N6 O8 -","2","1","","Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai","Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence","Organic Chemistry Frontiers","2019","6","7","919","","10.1039/C8QO01406J","","","0.71073","MoKα","","0.0514","0.0326","","","0.066","0.073","","","","","","0.839","","","","has coordinates,has disorder","237377","2020-10-21","18:00:00",""
"1554585","9.6264","0.0013","10.858","0.0014","11.2163","0.0014","90","","113.736","0.002","90","","1073.2","0.2","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C42 H48 N4 O14 -","2","1","","Xie, Chao-Chao; Tan, Rui; Liu, Yan-Kai","Asymmetric construction of polycyclic indole derivatives with different ring connectivities by an organocatalysis triggered two-step sequence","Organic Chemistry Frontiers","2019","6","7","919","","10.1039/C8QO01406J","","","0.71073","MoKα","","0.0865","0.0496","","","0.0988","0.1161","","","","","","1.057","","","","has coordinates,has disorder","237377","2020-10-21","18:00:00",""
"1554586","11.431","0.006","5.931","0.003","25.849","0.014","90","","94.751","0.01","90","","1746.5","1.6","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F3 N O3 -","- C17 H20 F3 N O3 -","- C68 H80 F12 N4 O12 -","4","1","","Gupta, Ekta; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Additive-free regio- and diastereoselective construction of fully-substituted isoxazolidines employing diazo compounds","Organic Chemistry Frontiers","2019","6","8","1109","","10.1039/C8QO01421C","","","0.71075","MoKα","","0.1224","0.0596","","","0.1498","0.1776","","","","","","0.912","","","","has coordinates","237379","2020-10-21","18:00:00",""
"1554587","11.218","0.003","12.296","0.003","16.82","0.005","108.32","0.02","101.98","0.03","102.65","0.02","2051.1","1.1","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C84 H84 F18 N6 O12 -","6","3","","Gupta, Ekta; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor","Additive-free regio- and diastereoselective construction of fully-substituted isoxazolidines employing diazo compounds","Organic Chemistry Frontiers","2019","6","8","1109","","10.1039/C8QO01421C","","","0.71075","MoKα","","0.1716","0.0555","","","0.1396","0.1588","","","","","","0.595","","","","has coordinates","237379","2020-10-21","18:00:00",""
"1554592","7.1336","0.0012","7.3556","0.0013","13.246","0.002","90","","102.455","0.004","90","","678.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Agnestin B","","","- C15 H14 O7 -","- C15 H14 O7 -","- C30 H28 O14 -","2","1","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0493","0.0491","","","0.1336","0.1338","","","","","","1.094","","","","has coordinates","237405","2020-10-21","18:00:00",""
"1554593","7.4082","0.0014","7.9771","0.0015","43.956","0.008","90","","90","","90","","2597.6","0.8","173.15","","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O6.5 -","- C15 H13 O6.5 -","- C120 H104 O52 -","8","2","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0773","0.0775","","","","","","1.069","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554594","34.3297","0.0007","34.3297","0.0007","34.3297","0.0007","90","","90","","90","","40458.5","1.4","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C152 H144 Cd4 F24 N28 O24 S8 -","- C144 H144 Cd4 N28 -","- C1152 H1152 Cd32 N224 -","8","0.0833333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0445","0.04","","","0.1062","0.1103","","","","","","1.043","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554595","34.257","0.007","18.552","0.004","54.149","0.011","90","","97.09","0.03","90","","34150","12","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5 -","- C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5 -","- C1284 H1010 B24 F216 N234 Ni32 O122 S40 -","8","1","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.107","0.0817","","","0.2556","0.2765","","","","","","1.075","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554596","14.93","0.002","14.93","0.002","68.868","0.014","90","","90","","120","","13294","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C78.83 H76.5 F17.5 K0.83 N15.5 O11.5 S3.83 Sb Zn2 -","- C78.147 H76.5 F16.1913 K0.842 N15.5 O9.441 S3.147 Sb0.9608 Zn2 -","- C468.882 H459 F97.1478 K5.052 N93 O56.646 S18.882 Sb5.7648 Zn12 -","6","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0566","0.0516","","","0.16","0.1639","","","","","","1.132","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554597","26.441","0.003","26.441","0.003","26.441","0.003","90","","90","","90","","18486","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C153 H132 Cd4 F69 N32 O3 S Sb7 -","- C153 H132 Cd4 F68.9991 N32 O2.9997 S0.9999 Sb6.9999 -","- C612 H527.999 Cd16 F275.996 N128 O11.9988 S3.9996 Sb27.9996 -","4","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0702","0.0654","","","0.1921","0.1983","","","","","","1.024","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554598","34.21","0.005","34.21","0.005","27.215","0.005","90","","90","","90","","31850","9","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C531.5 H392.25 F48 N82.25 Ni8 O53.25 S16 Zn6 -","- C524.876 H388.726 F28.2 N82.25 Ni8 O33.45 S9.4 Zn6 -","- C1049.75 H777.452 F56.4 N164.5 Ni16 O66.9 S18.8 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1394","0.121","","","0.3372","0.3532","","","","","","1.053","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554599","32.3977","0.0013","31.639","0.0013","22.0583","0.0009","90","","123.314","0.002","90","","18894.9","1.4","180","2","180","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C70.5 H64.5 F19.5 N15.5 O4.5 S1.5 Sb2.5 Zn2 -","- C69.865 H63 F17.625 N15.495 O2.625 S0.875 Sb2.5 Zn2 -","- C558.92 H504 F141 N123.96 O21 S7 Sb20 Zn16 -","8","2","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0992","0.0751","","","0.1957","0.2177","","","","","","1.036","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554600","34.3","0.005","34.3","0.005","27.428","0.006","90","","90","","90","","32269","10","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C543 H406 Co8 F48 N83.5 O53.75 S16 Zn6 -","- C538.8 H401.5 Co8 F35.4 N83.5 O41.15 S11.8 Zn6 -","- C1077.6 H803 Co16 F70.8 N167 O82.3 S23.6 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1197","0.1019","","","0.3039","0.3215","","","","","","1.078","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554601","17.4073","0.0007","15.531","0.0004","33.3439","0.0015","90","","114.157","0.005","90","","8225.2","0.6","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H73 Ca I N11 O4 U -","- C65 H73 Ca I N11 O4 U -","- C260 H292 Ca4 I4 N44 O16 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.1315","0.1207","","","0.2758","0.2816","","","","","","0.87","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554602","13.6821","0.0002","21.8875","0.0003","24.244","0.0003","90","","90","","90","","7260.28","0.17","170","2","170.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H77 N15 O2 Rb U -","- C77 H77 N15 O2 Rb U -","- C308 H308 N60 O8 Rb4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0281","0.0247","","","0.0527","0.0538","","","","","","1.051","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554603","13.273","0.0001","16.4368","0.0001","27.8646","0.0002","90","","90","","90","","6079.1","0.07","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H62 I N12 O2 U Zn -","- C62 H62 I N12 O2 U Zn -","- C248 H248 I4 N48 O8 U4 Zn4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.0216","0.0202","","","0.0468","0.0473","","","","","","0.9","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554604","20.517","0.005","21.431","0.005","19.018","0.005","90","0.005","117.115","0.005","90","0.005","7443","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H87 Cl N9 O2 Ti U -","- C87 H87 Cl N9 O2 Ti U -","- C348 H348 Cl4 N36 O8 Ti4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0506","0.0355","","","0.074","0.08","","","","","","0.918","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554605","47.424","0.005","14.484","0.005","30.602","0.005","90","0.005","127.576","0.005","90","0.005","16659","7","170","2","170","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86.48 H86.48 Cl3 Mg N15 O2 U Zr -","- C86.48 H86.48 Cl3 Mg N15 O2 U Zr -","- C691.84 H691.84 Cl24 Mg8 N120 O16 U8 Zr8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.1889","0.0965","","","0.166","0.2032","","","","","","1.014","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554606","28.7327","0.0005","22.93","0.0003","24.8036","0.0003","90","","102.077","0.0013","90","","15979.9","0.4","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H57 Cl N11 O2 U Zn -","- C57 H57 Cl N11 O2 U Zn -","- C456 H456 Cl8 N88 O16 U8 Zn8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.1055","0.0983","","","0.2329","0.2365","","","","","","1.142","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554607","20.2769","0.0012","21.7767","0.001","18.5794","0.0011","90","","115.829","0.007","90","","7384.4","0.8","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H86 Cl N12 O3 U Zr -","- C82 H86 Cl N12 O3 U Zr -","- C328 H344 Cl4 N48 O12 U4 Zr4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","0.71073","MoKα","","0.0992","0.0717","","","0.1606","0.1783","","","","","","1.089","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554608","24.852","0.005","23.01","0.005","28.754","0.005","90","0.005","102.183","0.005","90","0.005","16073","6","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C87 H87 Cl Mg N17 O2 U -","- C87.5 H87.5 Cl Mg N16.5 O2 U -","- C700 H700 Cl8 Mg8 N132 O16 U8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.5418","CuKα","","0.0365","0.0295","","","0.0698","0.0735","","","","","","0.922","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554609","27.7671","0.0004","27.7671","0.0004","35.7644","0.0005","90","","90","","120","","23880.5","0.6","120","0.1","120","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C312 H312 Cs6 N60 O12 U6 -","- C312 H312 Cs6 N60 O12 U6 -","- C936 H936 Cs18 N180 O36 U18 -","3","0.166667","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","1.54184","CuKα","","0.0808","0.0658","","","0.1669","0.1764","","","","","","1.027","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554611","11.2628","0.0009","12.4158","0.0009","21.9828","0.0019","83.055","0.004","78.448","0.004","87.667","0.003","2989.2","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","compound 2","","- C63 H46 Cu F6 N4 O P3 -","- C63 H46 Cu F6 N4 O P3 -","- C126 H92 Cu2 F12 N8 O2 P6 -","2","1","","Giereth, Robin; Reim, Immanuel; Frey, Wolfgang; Junge, Henrik; Tschierlei, Stefanie; Karnahl, Michael","Remarkably long-lived excited states of copper photosensitizers containing an extended π-system based on an anthracene moiety","Sustainable Energy & Fuels","2019","3","3","692","","10.1039/C8SE00521D","","","0.71073","MoKα","","0.0686","0.0405","","","0.0918","0.0984","","","","","","1.038","","","","has coordinates","237420","2020-10-21","18:00:00",""
"1554612","8.1362","0.0005","10.6863","0.0007","22.4625","0.0013","86.186","0.004","81.28","0.004","87.085","0.005","1924.5","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","'compound 2''","","- C48 H28 Cu F6 N8 P -","- C48 H28 Cu F6 N8 P -","- C96 H56 Cu2 F12 N16 P2 -","2","1","","Giereth, Robin; Reim, Immanuel; Frey, Wolfgang; Junge, Henrik; Tschierlei, Stefanie; Karnahl, Michael","Remarkably long-lived excited states of copper photosensitizers containing an extended π-system based on an anthracene moiety","Sustainable Energy & Fuels","2019","3","3","692","","10.1039/C8SE00521D","","","1.54178","CuKα","","0.0589","0.0423","","","0.1077","0.1159","","","","","","1.031","","","","has coordinates","237420","2020-10-21","18:00:00",""
"1554613","12.9939","0.0011","13.5751","0.0015","14.0727","0.0015","78.667","0.005","85.315","0.005","77.907","0.005","2377.8","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","[K(crypt)][Ni(TAPPy)2]","","","- C22.5 H28 K0.5 N6 Ni0.5 O3 -","- C22.5 H28 K0.5 N6 Ni0.5 O3 -","- C90 H112 K2 N24 Ni2 O12 -","4","2","","Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.","Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex","Sustainable Energy & Fuels","2019","3","5","1172","","10.1039/C8SE00623G","","","0.71073","MoKα","","0.0967","0.0558","","","0.1059","0.1227","","","","","","1.072","","","","has coordinates,has disorder","237422","2020-10-21","18:00:00",""
"1554614","23.3268","0.0009","7.362","0.0003","22.2054","0.0009","90","","94.794","0.002","90","","3800","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KTAPPy","","","- C36 H44 K2 N10 O3 -","- C36 H44 K2 N10 O3 -","- C144 H176 K8 N40 O12 -","4","1","","Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.","Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex","Sustainable Energy & Fuels","2019","3","5","1172","","10.1039/C8SE00623G","","","1.54178","CuKα","","0.0698","0.0608","","","0.1677","0.1765","","","","","","1.07","","","","has coordinates","237422","2020-10-21","18:00:00",""
"1554615","7.7492","0.0013","16.392","0.002","8.8505","0.0014","90","","101.096","0.006","90","","1103.2","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ni(TAPPy)2","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C48 H40 N20 Ni2 -","2","0.5","","Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.","Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex","Sustainable Energy & Fuels","2019","3","5","1172","","10.1039/C8SE00623G","","","0.71073","MoKα","","0.0734","0.0394","","","0.0746","0.0878","","","","","","1.051","","","","has coordinates","237422","2020-10-21","18:00:00",""
"1554616","6.9712","0.0005","11.7604","0.0007","12.9797","0.0006","107.511","0.002","102.996","0.003","102.125","0.003","943.63","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 B10 -","- C17 H22 B10 -","- C34 H44 B20 -","2","1","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0874","0.0577","","","0.1464","0.1624","","","","","","1.03","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1554617","13.801","0.003","25.643","0.005","6.8626","0.0013","90","","90","","90","","2428.7","0.8","298","2","298","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C17 H20 B10 I2 -","- C17 H20 B10 I2 -","- C68 H80 B40 I8 -","4","0.5","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0603","0.0405","","","0.0766","0.0791","","","","","","1.038","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1554618","9.319","0.0008","11.7553","0.0006","18.5808","0.0012","90","","94.913","0.003","90","","2028","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B10 I -","- C17 H21 B10 I -","- C68 H84 B40 I4 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0634","0.0459","","","0.0991","0.1073","","","","","","1.123","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1554619","19.1281","0.0012","24.4901","0.0012","15.6182","0.001","90","","109.513","0.003","90","","6896.1","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H48 Cl0 F0 N0 O43.5 -","- C54 H68 O43.5 -","- C216 H272 O174 -","4","1","","Phan, Chiuyen; Zheng, Ziyang; Wang, Jianwei; Wang, Qiwen; Hu, Xiurong; Tang, Guping; Bai, Hongzhen","Enhanced antitumour effect for hepatocellular carcinoma in the advanced stage using a cyclodextrin-sorafenib-chaperoned inclusion complex.","Biomaterials science","2019","7","11","4758","4768","10.1039/c9bm01190k","","","1.54184","CuKα","","0.1025","0.0944","","","0.2731","0.2855","","","","","","1.29","","","","has coordinates","237825","2020-10-21","18:00:00",""
"1554620","15.867","0.002","20.073","0.002","18.513","0.002","90","","90","","90","","5896.4","1.1","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H38 F6 Fe P Ru S3 -","- C24 H38 F6 Fe P Ru S3 -","- C192 H304 F48 Fe8 P8 Ru8 S24 -","8","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0788","0.0667","","","0.2143","0.2248","","","","","","1.069","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554621","13.1028","0.0009","8.6112","0.0006","14.2219","0.001","90","","101.551","0.0013","90","","1572.17","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Co S3 -","- C14 H23 Co S3 -","- C56 H92 Co4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0366","0.0328","","","0.0884","0.0913","","","","","","1.062","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554622","14.3616","0.0006","13.9373","0.0006","16.9737","0.0007","90","","99.0564","0.001","90","","3355.1","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 F6 Fe P Ru S4 -","- C30 H43 F6 Fe P Ru S4 -","- C120 H172 F24 Fe4 P4 Ru4 S16 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0559","0.0509","","","0.1336","0.1377","","","","","","1.089","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554623","11.8","0.004","15.608","0.006","18.603","0.007","90","","90","","90","","3426","2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H41 F12 Fe N P2 Ru S3 -","- C26 H41 F12 Fe N P2 Ru S3 -","- C104 H164 F48 Fe4 N4 P8 Ru4 S12 -","4","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0784","0.0712","","","0.2214","0.231","","","","","","1.079","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554624","20.2817","0.0011","17.2944","0.0009","12.4241","0.0007","90","","90","","90","","4357.9","0.4","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H58 B Co Fe S3 -","- C48 H58 B Co Fe S3 -","- C192 H232 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0419","0.0331","","","0.0817","0.0862","","","","","","1.015","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554625","20.576","0.002","16.9755","0.0019","12.0227","0.0014","90","","90","","90","","4199.4","0.8","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H56 B Co Fe S3 -","- C47 H56 B Co Fe S3 -","- C188 H224 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0589","0.0487","","","0.1108","0.1155","","","","","","1.099","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554626","15.5349","0.0004","15.8332","0.0005","18.3897","0.0005","90","","90.694","0.001","90","","4522.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 B Fe Ru S3 -","- C48 H59 B Fe Ru S3 -","- C192 H236 B4 Fe4 Ru4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0426","0.033","","","0.084","0.0879","","","","","","1.078","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554627","7.6484","0.0013","16.154","0.003","11.156","0.002","90","","106.283","0.004","90","","1323.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N8 O9 -","- C6 H6 N8 O9 -","- C24 H24 N32 O36 -","4","1","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0651","0.0499","","","0.1207","0.1307","","","","","","1.068","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554628","7.0912","0.0005","7.0912","0.0005","34.097","0.004","90","","90","","90","","1714.6","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H8 N10 O14 -","- C8 H8 N10 O14 -","- C32 H32 N40 O56 -","4","0.5","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0427","0.039","","","0.0956","0.0978","","","","","","1.083","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554629","11.0661","0.0015","13.9316","0.0019","15.839","0.002","90","","90","","90","","2441.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N8 O8 -","- C6 H6 N8 O8 -","- C48 H48 N64 O64 -","8","1","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0598","0.0464","","","0.1049","0.111","","","","","","1.089","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554630","8.6068","0.0009","14.9193","0.0015","14.6169","0.0012","90","","110.458","0.005","90","","1758.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H30 I N3 -","- C13 H30 I N3 -","- C52 H120 I4 N12 -","4","1","","Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo","Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations","Molecular Systems Design & Engineering","2019","4","5","1039","","10.1039/C9ME00064J","","","0.71073","MoKα","","0.0418","0.0332","","","0.0798","0.0855","","","","","","1.046","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554631","9.9771","0.0009","18.0751","0.0017","8.9806","0.0008","90","","104.318","0.002","90","","1569.2","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H28 Cl N3 O2 -","- C13 H28 Cl N3 O2 -","- C52 H112 Cl4 N12 O8 -","4","0.5","","Xue, Boxin; Wang, Fen; Zheng, Jifu; Li, Shenghai; Zhang, Suobo","Highly stable polysulfone anion exchange membranes incorporated with bulky alkyl substituted guanidinium cations","Molecular Systems Design & Engineering","2019","4","5","1039","","10.1039/C9ME00064J","","","0.71073","MoKα","","0.0553","0.0465","","","0.1177","0.1246","","","","","","1.068","","","","has coordinates","237912","2020-10-21","18:00:00",""
"1554632","26.026","0.004","12.94","0.0014","22.386","0.003","90","","97.214","0.004","90","","7479.4","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H32 F6 Ir N3 O0 S2 -","- C39 H32 F6 Ir N3 S2 -","- C312 H256 F48 Ir8 N24 S16 -","8","1","","Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs","Materials Chemistry Frontiers","2019","3","5","860","","10.1039/C9QM00088G","","","0.71073","MoKα","","0.0743","0.0466","","","0.12","0.1376","","","","","","1.021","","","","has coordinates,has disorder","238012","2020-10-21","18:00:00",""
"1554633","11.3","0.02","15.22","0.03","16.31","0.03","79.22","0.03","79.11","0.03","82.46","0.03","2693","9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H42 F6 Ir N3 S2 -","- C53 H42 F6 Ir N3 S2 -","- C106 H84 F12 Ir2 N6 S4 -","2","1","","Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs","Materials Chemistry Frontiers","2019","3","5","860","","10.1039/C9QM00088G","","","0.71073","MoKα","","0.1274","0.0803","","","0.1988","0.2324","","","","","","0.969","","","","has coordinates,has disorder","238012","2020-10-21","18:00:00",""
"1554634","15.5226","0.0015","12.6925","0.0012","20.61","0.002","90","","97.559","0.002","90","","4025.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H28 F6 Ir N3 S2 -","- C45 H28 F6.003 Ir N3 S2 -","- C180 H112 F24.012 Ir4 N12 S8 -","4","1","","Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs","Materials Chemistry Frontiers","2019","3","5","860","","10.1039/C9QM00088G","","","0.71073","MoKα","","0.036","0.0303","","","0.0775","0.0813","","","","","","1.033","","","","has coordinates,has disorder","238012","2020-10-21","18:00:00",""
"1554635","7.237","0.0014","18.371","0.004","62.028","0.012","90","","92.02","0.03","90","","8242","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Co6 N12 O39 -","- C72 H46 Co6 N12 O39 -","- C288 H184 Co24 N48 O156 -","4","1","","Li, Ang; Qian, Binbin; Zhong, Ming; Liu, Yingying; Chang, Ze; Bu, Xian-He","An insight into the pyrolysis process of metal‒organic framework templates/precursors to construct metal oxide anode materials for lithium-ion batteries","Materials Chemistry Frontiers","2019","3","7","1398","","10.1039/C9QM00098D","","","0.71073","MoKα","","0.2548","0.2394","","","0.5551","0.5615","","","","","","1.054","","","","has coordinates","238014","2020-10-21","18:00:00",""
"1554636","11.768","0.0003","17.4213","0.0005","17.5279","0.0005","90","","97.615","0.002","90","","3561.77","0.17","294.56","0.1","294.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N4 O2 Pt2 -","- C42 H36 N4 O2 Pt2 -","- C168 H144 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.053","0.0378","","","0.0851","0.0945","","","","","","1.04","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554637","11.0565","0.0005","16.7748","0.0006","20.3659","0.0009","90","","90","","90","","3777.3","0.3","294","0.2","294","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl2 N4 O2 Pt2 -","- C43 H38 Cl2 N4 O2 Pt2 -","- C172 H152 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.041","0.0362","","","0.0807","0.084","","","","","","1.083","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554638","9.6783","0.0005","18.7346","0.0011","19.5011","0.001","90","","100.777","0.005","90","","3473.6","0.3","143","0.1","143","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cl2 N4 O2 Pt2 -","- C42 H28 Cl2 N4 O2 Pt2 -","- C168 H112 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.0471","0.0319","","","0.0581","0.064","","","","","","1.055","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554639","10.7354","0.0004","20.1891","0.0008","21.7815","0.0006","90","","90","","90","","4720.9","0.3","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 Cl3 N4 O2 Pt2 -","- C51 H35 Cl3 N4 O2 Pt2 -","- C204 H140 Cl12 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.0626","0.0493","","","0.118","0.1263","","","","","","1.049","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554640","11.05822","0.00019","16.7782","0.0004","20.3868","0.0004","90","","90","","90","","3782.51","0.13","294.28","0.16","294.28","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl2 N4 O2 Pt2 -","- C43 H38 Cl2 N4 O2 Pt2 -","- C172 H152 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.047","0.0396","","","0.0955","0.1009","","","","","","1.042","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554641","11.377","0.003","9.712","0.003","13.362","0.004","90","","95.331","0.004","90","","1470","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71073","MoKα","","0.0426","0.0358","","","0.0966","0.1111","","","","","","1.094","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554642","7.9027","0.0003","11.1576","0.0004","13.5298","0.0006","90","","93.338","0.004","90","","1190.97","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","x-ray","1.54184","CuKα","","0.0528","0.0393","","","0.0957","0.1044","","","","","","1.039","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554643","8.78316","0.00019","11.4642","0.0002","11.1048","0.0002","90","","91.3006","0.0019","90","","1117.88","0.04","295.04","0.1","295.04","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71","MoKα","","0.0768","0.0742","","","0.1665","0.1708","","","","","","1.197","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554644","18.9325","0.0007","9.4253","0.0003","17.2146","0.0006","90","","114.976","0.004","90","","2784.59","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","2","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","x-ray","1.54184","CuKα","","0.0709","0.0435","","","0.0894","0.1002","","","","","","0.956","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554645","26.477","0.007","26.477","0.007","12.475","0.003","90","","90","","120","","7574","3","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C324 H378 N18 O36 S18 -","18","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71073","MoKα","","0.1104","0.0531","","","0.1176","0.1427","","","","","","0.97","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554646","7.7584","0.0007","9.0839","0.0008","10.0043","0.0009","109.128","0.008","97.408","0.008","103.752","0.008","630.4","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C30 H30 N2 O4 S2 -","2","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","x-ray","1.54184","CuKα","","0.0641","0.0432","","","0.0881","0.0965","","","","","","1.04","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554647","6.3304","0.0013","7.2037","0.0014","20.473","0.004","89.41","0.03","89.13","0.03","76.08","0.03","906.1","0.3","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O4 -","- C44 H46 N2 O4 -","- C44 H46 N2 O4 -","1","0.5","","Dai, Shuangxiong; Cai, Zhengxu; Peng, Zhe; Wang, Zhi; Tong, Bin; Shi, Jianbing; Gan, Shenglong; He, Qiming; Chen, Wei; Dong, Yuping","A stabilized lamellar liquid crystalline phase with aggregation-induced emission features based on pyrrolopyrrole derivatives","Materials Chemistry Frontiers","2019","3","6","1105","","10.1039/C9QM00124G","","","0.71073","MoKα","","0.0715","0.0638","","","0.1427","0.1476","","","","","","1.155","","","","has coordinates","238021","2020-10-21","18:00:00",""
"1554648","6.70475","0.00016","13.3306","0.0003","13.1204","0.0003","90","","90","","90","","1172.68","0.05","167","40","167","40","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H14 Br3 N3 O -","- C4 H18 Br3 N3 O -","- C16 H72 Br12 N12 O4 -","4","0.5","","Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He","Electronic structures and elastic properties of a family of metal-free perovskites","Materials Chemistry Frontiers","2019","3","8","1678","","10.1039/C9QM00133F","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0636","0.0639","","","","","","1.071","","","","has coordinates","238023","2020-10-21","18:00:00",""
"1554649","7.064","0.0014","14.089","0.003","13.684","0.003","90","","90","","90","","1361.9","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H14 I3 N3 O -","- C4 H18 I3 N3 O -","- C16 H72 I12 N12 O4 -","4","0.5","","Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He","Electronic structures and elastic properties of a family of metal-free perovskites","Materials Chemistry Frontiers","2019","3","8","1678","","10.1039/C9QM00133F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1516","0.1522","","","","","","1.077","","","","has coordinates","238023","2020-10-21","18:00:00",""
"1554650","22.0567","0.0018","7.7405","0.0006","15.5138","0.0014","90","","102.762","0.007","90","","2583.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EM","","- C30 H29 N5 O -","- C30 H29 N5 O -","- C120 H116 N20 O4 -","4","1","","Yang, Jinfeng; Gu, Kaizhi; Shi, Chuanxing; Li, Meng; Zhao, Ping; Zhu, Wei-Hong","Fluorescent thermometer based on a quinolinemalononitrile copolymer with aggregation-induced emission characteristics","Materials Chemistry Frontiers","2019","3","8","1503","","10.1039/C9QM00147F","","","1.54178","CuKα","","0.1096","0.0772","","","0.2105","0.246","","","","","","1.022","","","","has coordinates","238025","2020-10-21","18:00:00",""
"1554651","12.8894","0.0018","9.0135","0.0012","31.806","0.004","90","","93.146","0.002","90","","3689.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 B F2 N3 O -","- C20 H22 B F2 N3 O -","- C160 H176 B8 F16 N24 O8 -","8","1","","Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung","A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells","Materials Chemistry Frontiers","2019","3","9","1823","","10.1039/C9QM00154A","","","0.71073","MoKα","","0.0618","0.0458","","","0.13","0.1441","","","","","","1.047","","","","has coordinates","238026","2020-10-21","18:00:00",""
"1554652","26.649","0.003","9.8463","0.001","19.4482","0.0019","90","","101.393","0.001","90","","5002.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 B F2 N3 O -","- C26 H34 B F2 N3 O -","- C208 H272 B8 F16 N24 O8 -","8","1","","Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung","A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells","Materials Chemistry Frontiers","2019","3","9","1823","","10.1039/C9QM00154A","","","0.71073","MoKα","","0.1044","0.0637","","","0.2012","0.2386","","","","","","1.058","","","","has coordinates","238026","2020-10-21","18:00:00",""
"1554653","23.744","0.003","12.2488","0.0012","19.0154","0.0018","90","","101.276","0.002","90","","5423.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B F2 N3 O -","- C24 H30 B F2 N3 O -","- C192 H240 B8 F16 N24 O8 -","8","1","","Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung","A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells","Materials Chemistry Frontiers","2019","3","9","1823","","10.1039/C9QM00154A","","","0.71073","MoKα","","0.0933","0.0598","","","0.2113","0.2293","","","","","","1.104","","","","has coordinates","238026","2020-10-21","18:00:00",""
"1554654","4.7535","0.0005","6.1267","0.0013","13.209","0.002","96.215","0.015","96.738","0.011","91.369","0.013","379.53","0.11","100.01","0.01","100.01","0.01","","","","","","","","2","P -1","-P 1","2","","d-DPE","","- C20 H24 -","- C20 H24 -","- C20 H24 -","1","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","x-ray","0.71073","MoKα","","0.0868","0.0581","","","0.1305","0.1498","","","","","","1.002","","","","has coordinates","238028","2020-10-21","18:00:00",""
"1554655","12.9394","0.0012","8.2851","0.0007","9.083","0.0008","90","","106.48","0.01","90","","933.73","0.15","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 -","- C24 H26 -","- C48 H52 -","2","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","x-ray","1.54184","CuKα","","0.0556","0.0468","","","0.1216","0.1301","","","","","","1.001","","","","has coordinates","238028","2020-10-21","18:00:00",""
"1554656","7.9294","0.0008","7.3834","0.0007","16.2178","0.0015","90","","90.745","0.008","90","","949.41","0.16","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","TPh-TM","","- C24 H26 -","- C24 H26 -","- C48 H52 -","2","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","","0.71073","MoKα","","0.0686","0.0497","","","0.1315","0.1493","","","","","","1.063","","","","has coordinates","238028","2020-10-21","18:00:00",""
"1554657","4.8732","0.0006","10.6116","0.0013","15.5489","0.0018","90","","90.251","0.01","90","","804.06","0.17","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 -","- C20 H24 -","- C40 H48 -","2","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","","0.71073","MoKα","","0.1057","0.0722","","","0.1979","0.2347","","","","","","1.058","","","","has coordinates","238028","2020-10-21","18:00:00",""
"1554658","9.7394","0.0003","9.8279","0.0003","16.0542","0.0005","96.661","0.001","100.097","0.001","92.178","0.001","1499.99","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","'2,5-bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene'","","- C44 H28 S -","- C44 H28 S -","- C88 H56 S2 -","2","1","","Kazantsev, Maxim S.; Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Benassi, Enrico; Mostovich, Evgeny A.","Stimuli responsive aggregation-induced emission of bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene single crystals","Materials Chemistry Frontiers","2019","3","8","1545","","10.1039/C9QM00198K","","","0.71073","MoKα","","0.0561","0.0362","","","0.0847","0.0938","","","","","","1.027","","","","has coordinates","238029","2020-10-21","18:00:00",""
"1554659","15.4125","0.0009","9.8016","0.0005","20.9249","0.001","90","","105.66","0.002","90","","3043.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'2,5-bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene'","","- C44 H28 S -","- C44 H28 S -","- C176 H112 S4 -","4","1","","Kazantsev, Maxim S.; Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Benassi, Enrico; Mostovich, Evgeny A.","Stimuli responsive aggregation-induced emission of bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene single crystals","Materials Chemistry Frontiers","2019","3","8","1545","","10.1039/C9QM00198K","","","0.71073","MoKα","","0.0673","0.0438","","","0.1024","0.1155","","","","","","1.04","","","","has coordinates","238029","2020-10-21","18:00:00",""
"1554660","26.013","0.006","12.858","0.002","10.6428","0.0018","90","","104.932","0.01","90","","3439.5","1.1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N4 -","- C40 H28 N4 -","- C160 H112 N16 -","4","0.5","","Peng, Zhe; Dai, Shuangxiong; Ji, Yingchun; Tong, Bin; Shi, Jianbing; Cai, Zhengxu; Zhi, Junge; Dong, Yuping","Ionic liquid crystals with aggregation-induced emission properties based on pyrrolo[3,2-b]pyrrole salt compounds","Materials Chemistry Frontiers","2019","3","7","1385","","10.1039/C9QM00208A","","","0.71073","MoKα","","0.184","0.0686","","","0.1539","0.2045","","","","","","0.943","","","","has coordinates","238031","2020-10-21","18:00:00",""
"1554661","7.402","0.002","19.562","0.005","12.283","0.003","90","","97.32","0.004","90","","1764.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Au F5 N O -","- C18 H15 Au F5 N O -","- C72 H60 Au4 F20 N4 O4 -","4","1","","Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua","Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy","Materials Chemistry Frontiers","2019","3","9","1866","","10.1039/C9QM00274J","","","0.71073","MoKα","","0.047","0.0334","","","0.0902","0.0964","","","","","","1.047","","","","has coordinates","238032","2020-10-21","18:00:00",""
"1554662","7.3042","0.0009","19.814","0.003","11.9572","0.0015","90","","95.327","0.002","90","","1723","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Au F5 N O -","- C18 H15 Au F5 N O -","- C72 H60 Au4 F20 N4 O4 -","4","1","","Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua","Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy","Materials Chemistry Frontiers","2019","3","9","1866","","10.1039/C9QM00274J","","","0.71073","MoKα","","0.0638","0.0604","","","0.1386","0.1421","","","","","","1.042","","","","has coordinates","238032","2020-10-21","18:00:00",""
"1554663","7.2889","0.0004","19.8254","0.001","11.9641","0.0006","90","","95.306","0.001","90","","1721.47","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Au F5 N O -","- C18 H15 Au F5 N O -","- C72 H60 Au4 F20 N4 O4 -","4","1","","Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua","Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy","Materials Chemistry Frontiers","2019","3","9","1866","","10.1039/C9QM00274J","","","0.71073","MoKα","","0.0296","0.0209","","","0.0489","0.0647","","","","","","1.109","","","","has coordinates","238032","2020-10-21","18:00:00",""
"1554664","5.0052","0.0002","15.6076","0.0004","14.6006","0.0004","90","","91.275","0.003","90","","1140.3","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H14 N4 O2 -","- C29 H14 N4 O2 -","- C58 H28 N8 O4 -","2","1","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0355","0.0332","","","0.0893","0.0919","","","","","","1.03","","","","has coordinates,has disorder","238033","2020-10-21","18:00:00",""
"1554665","25.4902","0.0008","8.4676","0.0003","16.9657","0.0005","90","","104.889","0.002","90","","3538.9","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H16 N4 O2 -","- C30 H16 N4 O2 -","- C180 H96 N24 O12 -","6","1.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0338","0.0315","","","0.0863","0.0887","","","","","","1.038","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554666","12.0721","0.0006","17.9566","0.0012","12.2305","0.0006","90","","90","","90","","2651.3","0.3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H22 N4 O2 -","- C33 H22 N4 O2 -","- C132 H88 N16 O8 -","4","0.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0454","0.0396","","","0.1014","0.1069","","","","","","1.054","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554667","8.8302","0.0003","18.7601","0.0008","19.027","0.0007","110.64","0.004","94.387","0.003","93.845","0.003","2926","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N4 O2 -","- C36 H28 N4 O2 -","- C144 H112 N16 O8 -","4","2","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0889","0.0585","","","0.1608","0.1822","","","","","","1.07","","","","has coordinates,has disorder","238033","2020-10-21","18:00:00",""
"1554668","7.9714","0.0004","22.5703","0.0008","9.1047","0.0004","90","","115.426","0.007","90","","1479.42","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H22 Cl2 N4 O2 -","- C33 H22 Cl2 N4 O2 -","- C66 H44 Cl4 N8 O4 -","2","1","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0588","0.0561","","","0.1657","0.17","","","","","","1.061","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554669","18.4373","0.0019","25.7446","0.0019","11.6266","0.0007","90","","90","","90","","5518.7","0.8","153","2","153","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H30 F6 N4 O2 -","- C48 H30 F6 N4 O2 -","- C192 H120 F24 N16 O8 -","4","0.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.1107","0.0854","","","0.2191","0.2375","","","","","","1.103","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554670","8.5584","0.0003","18.7684","0.0005","17.4034","0.0004","90","","94.951","0.003","90","","2785.03","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.67 H8.67 N1.33 O0.67 -","- C11.6667 H8.66667 N1.33333 O0.666667 -","- C140 H104 N16 O8 -","12","3","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54184","CuKα","","0.0562","0.0467","","","0.1281","0.1369","","","","","","1.033","","","","has coordinates,has disorder","238033","2020-10-21","18:00:00",""
"1554671","8.788","0.004","10.446","0.004","15.407","0.006","70.818","0.01","88.67","0.01","79.808","0.01","1313.8","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C66 H46 B2 F4 O6 -","2","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1887","0.0794","","","0.209","0.2424","","","","","","1.107","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554672","53.109","0.011","7.2441","0.0017","13.687","0.003","90","","97.371","0.005","90","","5222","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C264 H184 B8 F16 O24 -","8","2","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1206","0.089","","","0.2251","0.2518","","","","","","1.009","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554673","15.955","0.004","8.978","0.002","19.823","0.005","90","","113.38","0.005","90","","2606.4","1.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C132 H92 B4 F8 O12 -","4","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.092","0.049","","","0.1261","0.1468","","","","","","1.031","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554674","15.958","0.006","8.99","0.004","19.915","0.006","90","","113.62","0.02","90","","2617.7","1.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C132 H92 B4 F8 O12 -","4","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.177","0.0614","","","0.0904","0.1088","","","","","","0.937","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554675","15.957","0.005","8.984","0.003","19.969","0.006","90","","113.55","","90","","2624.3","1.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C132 H92 B4 F8 O12 -","4","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1598","0.0671","","","0.1593","0.1922","","","","","","0.932","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554676","12.1382","0.0002","12.8179","0.0003","15.1854","0.0003","85.684","0.002","78.373","0.002","89.276","0.002","2307.59","0.08","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","(R)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","4","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0537","0.0494","","","0.1369","0.1442","","","","","","1.033","","","","has coordinates","238037","2020-10-21","18:00:00",""
"1554677","14.4773","0.0002","12.17882","0.00016","13.40691","0.00018","90","","104.925","0.0014","90","","2284.11","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","1","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0444","0.0422","","","0.1103","0.1124","","","","","","1.072","","","","has coordinates","238037","2020-10-21","18:00:00",""
"1554678","12.135","0.0002","12.8327","0.0002","15.1864","0.0002","85.785","0.001","78.371","0.001","89.345","0.001","2310.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","(S)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","4","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0783","0.0789","","","","","","1.03","","","","has coordinates","238037","2020-10-21","18:00:00",""
"1554679","8.4381","0.0004","12.133","0.0005","23.3476","0.0009","86.889","0.001","81.757","0.001","83.205","0.001","2347.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O Pt -","- C30 H24 N4 O Pt -","- C120 H96 N16 O4 Pt4 -","4","2","","Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei","High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions","Materials Chemistry Frontiers","2019","3","11","2448","","10.1039/C9QM00347A","","","0.71073","MoKα","","0.0353","0.0304","","","0.0749","0.0787","","","","","","1.049","","","","has coordinates","238039","2020-10-21","18:00:00",""
"1554680","7.7277","0.0015","13.36","0.003","20.072","0.004","90","","90","","90","","2072.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N4 O Pt -","- C27 H18 N4 O Pt -","- C108 H72 N16 O4 Pt4 -","4","1","","Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei","High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions","Materials Chemistry Frontiers","2019","3","11","2448","","10.1039/C9QM00347A","","","0.71073","MoKα","","0.0534","0.0427","","","0.0532","0.0566","","","","","","0.98","","","","has coordinates","238039","2020-10-21","18:00:00",""
"1554681","26.686","0.005","16.726","0.003","14.573","0.003","90","","107.7","0.03","90","","6197","2","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 N4 O3 -","- C37 H28 N4 O3 -","- C296 H224 N32 O24 -","8","1","","Ren, Fei; Shi, Jianbing; Tong, Bin; Cai, Zhengxu; Dong, Yuping","Effects of fused rings linked to the 2,5-position of pyrrole derivatives with near-infrared emission on their aggregation-enhanced emission properties","Materials Chemistry Frontiers","2019","3","10","2072","","10.1039/C9QM00372J","","","0.71073","MoKα","","0.0646","0.0585","","","0.1173","0.1208","","","","","","1.148","","","","has coordinates,has disorder","238041","2020-10-21","18:00:00",""
"1554682","16.236","0.003","7.7124","0.0015","25.238","0.005","90","","104.08","0.03","90","","3065.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-2-(5-[4-dimethylaminophenyl]-lH-pyrazole-3-yl)phenol","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","2","","Li, Aisen; Liu, Hao; Song, Chongping; Geng, Yijia; Xu, Shuping; Zhang, Hongyu; Zhang, Houyu; Cui, Haining; Xu, Weiqing","Flexible control of excited state transition under pressure/temperature: distinct stimuli-responsive behaviours of two ESIPT polymorphs","Materials Chemistry Frontiers","2019","3","10","2128","","10.1039/C9QM00395A","","","0.71073","MoKα","","0.1003","0.0509","","","0.1311","0.155","","","","","","0.946","","","","has coordinates","238042","2020-10-21","18:00:00",""
"1554683","12.841","0.003","10.286","0.002","12.663","0.003","90","","111.023","0.007","90","","1561.2","0.6","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-(5-[4-dimethylaminophenyl]-lH-pyrazole-3-yl)phenol","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Li, Aisen; Liu, Hao; Song, Chongping; Geng, Yijia; Xu, Shuping; Zhang, Hongyu; Zhang, Houyu; Cui, Haining; Xu, Weiqing","Flexible control of excited state transition under pressure/temperature: distinct stimuli-responsive behaviours of two ESIPT polymorphs","Materials Chemistry Frontiers","2019","3","10","2128","","10.1039/C9QM00395A","","","0.71073","MoKα","","0.0714","0.047","","","0.1099","0.1241","","","","","","1.037","","","","has coordinates","238042","2020-10-21","18:00:00",""
"1554684","24.5577","0.0007","18.3997","0.0004","18.1621","0.0004","90","","92.376","0.002","90","","8199.6","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl6 N2 Zn -","- C10 H26 Cl6 N2 Zn -","- C160 H416 Cl96 N32 Zn16 -","16","4","","Zhang, Yu-Wei; Wang, Qing; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Visual low-high interchange in a dielectric switch for trimethylchloroethylamine tetrachlorozincate with a large leap symmetry breaking","Materials Chemistry Frontiers","2019","3","10","2077","","10.1039/C9QM00427K","","","0.71073","MoKα","","0.0683","0.047","","","0.1188","0.1262","","","","","","1.12","","","","has coordinates","238043","2020-10-21","18:00:00",""
"1554685","12.7985","0.0003","12.7985","0.0003","25.8884","0.0013","90","","90","","90","","4240.6","0.3","370","2","370","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H26 Cl6 N2 Zn -","- C10 H26 Cl6 N2 Zn -","- C80 H208 Cl48 N16 Zn8 -","8","0.5","","Zhang, Yu-Wei; Wang, Qing; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Visual low-high interchange in a dielectric switch for trimethylchloroethylamine tetrachlorozincate with a large leap symmetry breaking","Materials Chemistry Frontiers","2019","3","10","2077","","10.1039/C9QM00427K","","","0.71073","MoKα","","0.2102","0.2011","","","0.4934","0.6065","","","","","","1.1432","","","","has coordinates","278190","2022-09-26","15:36:48",""
"1554686","12.2995","0.0012","12.7098","0.0012","38.043","0.003","80.979","0.003","89.471","0.003","65.725","0.003","5344.1","0.9","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C218 H276 O28 P2 Pt -","- C218 H276 O28 P2 Pt -","- C218 H276 O28 P2 Pt -","1","0.5","","Hu, Yang; Wang, Wei; Yao, Rui; Wang, Xu-Qing; Wang, Yu-Xuan; Sun, Bin; Chen, Li-Jun; Zhang, Ying; Zhao, Xiao-Li; Xu, Lin; Tan, Hong-Wei; Yu, Yihua; Li, Xiaopeng; Yang, Hai-Bo","Facile synthesis of diverse rotaxanes via successive supramolecular transformations","Materials Chemistry Frontiers","2019","3","11","2397","","10.1039/C9QM00430K","","","0.71073","MoKα","","0.1622","0.1225","","","0.3177","0.3454","","","","","","1.249","","","","has coordinates","238045","2020-10-21","18:00:00",""
"1554687","15.215","0.005","14.04","0.005","23.048","0.008","90","","100.849","0.006","90","","4835","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57.5 N4.5 O7 -","- C51 H56 N4 O7 -","- C204 H224 N16 O28 -","4","1","","Chan, Sing-Ming; Tang, Fung-Kit; Kwan, Chak-Shing; Lam, Ching-Yau; Hau, Sam C. K.; Leung, Ken Cham-Fai","Water-compatible fluorescent [2]rotaxanes for Au3+ detection and bioimaging","Materials Chemistry Frontiers","2019","3","11","2388","","10.1039/C9QM00476A","","x-ray","0.71073","MoKα","","0.0866","0.0717","","","0.2199","0.2441","","","","","","1.063","","","","has coordinates","238046","2020-10-21","18:00:00",""
"1554688","8.9754","0.0004","11.9049","0.0006","13.8094","0.0007","111.039","0.002","90.487","0.002","95.955","0.002","1368.09","0.12","98","2","98.07","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H23 N O2 S -","- C37 H23 N O2 S -","- C74 H46 N2 O4 S2 -","2","1","","Huang, Lili; Wen, Xue; Liu, Jianwei; Chen, Mingxing; Ma, Zhiyong; Jia, Xinru","An AIE molecule featuring changeable triplet emission between phosphorescence and delayed fluorescence by an external force","Materials Chemistry Frontiers","2019","3","10","2151","","10.1039/C9QM00509A","","","0.71076","MoKα","","0.1058","0.0849","","","0.1496","0.1566","","","","","","1.324","","","","has coordinates","238048","2020-10-21","18:00:00",""
"1554689","12.995","0.005","14.047","0.005","18.771","0.008","85.928","0.015","72.336","0.015","78.362","0.014","3198","2","279","2","278.84","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H31 N3 -","- C43 H31 N3 -","- C172 H124 N12 -","4","2","","Li, Aisen; Chu, Ning; Liu, Jianwei; Liu, Hao; Wang, Jing; Xu, Shuping; Cui, Haining; Zhang, Hongyu; Xu, Weiqing; Ma, Zhiyong","Pressure-induced remarkable luminescence switch of a dimer form of donor–acceptor–donor triphenylamine (TPA) derivative","Materials Chemistry Frontiers","2019","3","12","2768","","10.1039/C9QM00529C","","","0.71076","MoKα","","0.1104","0.0519","","","0.1125","0.1434","","","","","","1.009","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1554690","17.2834","0.0005","10.2606","0.0003","18.3175","0.0005","90","","96.618","0.001","90","","3226.74","0.16","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N4 -","- C42 H30 N4 -","- C168 H120 N16 -","4","1","","Li, Aisen; Chu, Ning; Liu, Jianwei; Liu, Hao; Wang, Jing; Xu, Shuping; Cui, Haining; Zhang, Hongyu; Xu, Weiqing; Ma, Zhiyong","Pressure-induced remarkable luminescence switch of a dimer form of donor‒acceptor‒donor triphenylamine (TPA) derivative","Materials Chemistry Frontiers","2019","3","12","2768","","10.1039/C9QM00529C","","","0.71076","MoKα","","0.1357","0.0631","","","0.154","0.2051","","","","","","1.016","","","","has coordinates","238050","2020-10-21","18:00:00",""
"1554691","6.2682","0.0005","7.1504","0.0005","28.857","0.002","94.165","0.002","90.331","0.003","90.002","0.003","1289.94","0.16","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","2","","Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai","Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state","Materials Chemistry Frontiers","2019","3","12","2746","","10.1039/C9QM00586B","","","0.71073","MoKα","","0.1179","0.0591","","","0.1397","0.1616","","","","","","1.04","","","","has coordinates","238052","2020-10-21","18:00:00",""
"1554692","6.2328","0.0002","7.2129","0.0001","31.0245","0.0007","92.777","0.002","94.558","0.002","90.014","0.002","1388.7","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai","Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state","Materials Chemistry Frontiers","2019","3","12","2746","","10.1039/C9QM00586B","","","1.54184","CuKα","","0.0659","0.0468","","","0.1232","0.1319","","","","","","1","","","","has coordinates,has disorder","238052","2020-10-21","18:00:00",""
"1554693","6.1745","0.0002","7.0411","0.0002","33.2296","0.001","86.545","0.002","84.929","0.002","89.992","0.002","1436.38","0.08","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","2","","Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai","Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state","Materials Chemistry Frontiers","2019","3","12","2746","","10.1039/C9QM00586B","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1306","","","","","","1.119","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1554694","38.372","0.011","43.842","0.012","41.771","0.012","90","","101.834","0.003","90","","68778","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C260 H202 Cu4 N16 O23 -","- C260 H202 Cu4 N16 O23 -","- C2080 H1616 Cu32 N128 O184 -","8","2","","Maehara, Takeshi; Sekiya, Ryo; Harada, Kentaro; Haino, Takeharu","Tunable enforced cavities inside self-assembled capsules","Organic Chemistry Frontiers","2019","6","10","1561","","10.1039/C9QO00010K","","","0.71073","MoKα","","0.4241","0.2119","","","0.4543","0.5367","","","","","","1.066","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554695","10.7588","0.0007","13.1415","0.0008","15.339","0.001","106.956","0.001","100.938","0.001","91.717","0.001","2028.3","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B Cl4 Cu F4 N4 -","- C40 H40 B Cl4 Cu F4 N4 -","- C80 H80 B2 Cl8 Cu2 F8 N8 -","2","1","","Maehara, Takeshi; Sekiya, Ryo; Harada, Kentaro; Haino, Takeharu","Tunable enforced cavities inside self-assembled capsules","Organic Chemistry Frontiers","2019","6","10","1561","","10.1039/C9QO00010K","","","0.71073","MoKα","","0.0384","0.034","","","0.0882","0.0912","","","","","","1.01","","","","has coordinates","238056","2020-10-21","18:00:00",""
"1554696","9.0064","0.0003","9.7885","0.0003","30.9078","0.0011","90","","90","","90","","2724.81","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-4-benzyl-4-((S)-(4-chlorophenyl)(2-hydroxy-3-methoxyphenyl)methyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","(R)-4-benzyl-4-((S)-(4-chlorophenyl)(2-hydroxy-3-methoxyphenyl)methyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","- C31 H29 Cl N2 O4 -","- C31 H29 Cl N2 O4 -","- C124 H116 Cl4 N8 O16 -","4","1","","Chu, Ming-Ming; Qi, Suo-Suo; Ju, Wan-Zhen; Wang, Yi-Feng; Chen, Xue-Yang; Xu, Dan-Qian; Xu, Zhen-Yuan","Asymmetric organocatalytic conjugated addition of pyrazolin-5-ones to ortho-quinomethanes: construction of vicinal tertiary and all-carbon quaternary stereocenters","Organic Chemistry Frontiers","2019","6","8","1140","","10.1039/C9QO00011A","","","0.71073","MoKα","","0.0615","0.0448","","","0.1069","0.1185","","","","","","1.083","","","","has coordinates","238058","2020-10-21","18:00:00",""
"1554697","36.594","0.002","7.353","0.003","28.802","0.003","90","","123.87","0.03","90","","6435","4","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C63.5 H60 N6 O14.5 -","- C63.5 H60 N6 O14.5 -","- C254 H240 N24 O58 -","4","1","","Ren, Demin; Liu, Bin; Li, Xiaofang; Koniarz, Sebastian; Pawlicki, Miłosz; Chmielewski, Piotr J.","Reactions of 2-aza-21-carbaporphyrin with aniline derivatives","Organic Chemistry Frontiers","2019","6","7","908","","10.1039/C9QO00024K","","","0.71073","MoKα","","0.0922","0.0634","","","0.1522","0.1703","","","","","","1.036","","","","has coordinates,has disorder","238060","2020-10-21","18:00:00",""
"1554698","33.74","0.002","12.9479","0.0008","14.8229","0.0008","90","","100.325","0.006","90","","6370.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H72 N6 O6 -","- C79 H72 N6 O6 -","- C316 H288 N24 O24 -","4","1","","Ren, Demin; Liu, Bin; Li, Xiaofang; Koniarz, Sebastian; Pawlicki, Miłosz; Chmielewski, Piotr J.","Reactions of 2-aza-21-carbaporphyrin with aniline derivatives","Organic Chemistry Frontiers","2019","6","7","908","","10.1039/C9QO00024K","","","1.54184","CuKα","","0.1186","0.0678","","","0.1572","0.1707","","","","","","0.867","","","","has coordinates,has disorder","238060","2020-10-21","18:00:00",""
"1554699","6.9921","0.0003","11.2113","0.0006","12.4434","0.0007","96.443","0.002","95.376","0.002","95.626","0.002","959.19","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 Br2 F N O3 S -","- C18 H16 Br2 F N O3 S -","- C36 H32 Br4 F2 N2 O6 S2 -","2","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0551","0.0479","","","0.1414","0.1485","","","","","","0.897","","","","has coordinates","238063","2020-10-21","18:00:00",""
"1554700","18.258","0.002","13.081","0.0013","15.4466","0.0014","90","","91.845","0.003","90","","3687.2","0.6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cl N O3 S -","- C19 H20 Cl N O3 S -","- C152 H160 Cl8 N8 O24 S8 -","8","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0535","0.0488","","","0.139","0.1434","","","","","","1.123","","","","has coordinates","238063","2020-10-21","18:00:00",""
"1554701","7.4466","0.0005","24.7338","0.0015","9.6421","0.0005","90","","104.56","0.002","90","","1718.87","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O7 S -","- C17 H14 N2 O7 S -","- C68 H56 N8 O28 S4 -","4","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0624","0.0435","","","0.1037","0.1128","","","","","","1.046","","","","has coordinates","238063","2020-10-21","18:00:00",""
"1554702","10.994","0.013","12.052","0.015","16.9","0.02","95.131","0.011","99.76","0.011","103.107","0.011","2130","4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","2","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.2175","0.0973","","","0.2554","0.3338","","","","","","0.929","","","","has coordinates","238063","2020-10-21","18:00:00",""
"1554703","8.2985","0.0003","12.4303","0.0006","19.4432","0.0008","90","","101.322","0.001","90","","1966.59","0.14","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br3 N O2 S -","- C17 H16 Br3 N O2 S -","- C68 H64 Br12 N4 O8 S4 -","4","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.047","0.0394","","","0.0993","0.1036","","","","","","1.047","","","","has coordinates","238063","2020-10-21","18:00:00",""
"1554704","6.9458","0.0002","10.9848","0.0002","12.6203","0.0004","95.166","0.002","94.677","0.002","97.68","0.002","946.11","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Br3 N O3 S -","- C17 H14 Br3 N O3 S -","- C34 H28 Br6 N2 O6 S2 -","2","1","","Anitha, Mandala; Shankar, Mallepalli; Kumara Swamy, K. C.","Reactivity of epoxy-ynamides with metal halides: nucleophile (Br/Cl/OH)-assisted tandem intramolecular 5-exo-dig or 6-endo-dig cyclisation and AgF2-promoted oxidation","Organic Chemistry Frontiers","2019","6","8","1133","","10.1039/C9QO00027E","","","0.71073","MoKα","","0.0809","0.0509","","","0.1129","0.1223","","","","","","1.071","","","","has coordinates","238063","2020-10-21","18:00:00",""
"1554705","6.5927","0.0001","24.4163","0.0004","9.1339","0.0002","90","","108.268","0.002","90","","1396.18","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C64 H44 F12 N8 O4 -","4","1","","Zhu, Chuanle; Liu, Chi; Zeng, Hao; Chen, Fulin; Jiang, Huanfeng","Transition-metal free selective C(α)‒C(β) bond cleavage of trifluoromethyl ketones with amidines under air: facile access to 5-trifluoromethylated Imidazol-4-ones","Organic Chemistry Frontiers","2019","6","6","858","","10.1039/C9QO00029A","","x-ray","1.54184","CuKα","","0.0517","0.047","","","0.1251","0.1316","","","","","","1.048","","","","has coordinates","238065","2020-10-21","18:00:00",""
"1554706","25.9456","0.0005","8.8451","0.0003","23.3704","0.0007","90","","101.146","0.003","90","","5262.1","0.3","293","1","293","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H22 Cl N5 O8 -","- C21 H22 Cl N5 O8 -","- C168 H176 Cl8 N40 O64 -","8","2","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","1.54184","CuKα","","0.0667","0.0641","","","0.1749","0.1781","","","","","","1.052","","","","has coordinates","238067","2020-10-21","18:00:00",""
"1554707","14.6444","0.0002","19.027","0.0003","9.2992","0.0001","90","","98.115","0.001","90","","2565.17","0.06","291.42","0.1","291.42","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl N5 O9 -","- C22 H26 Cl N5 O9 -","- C88 H104 Cl4 N20 O36 -","4","1","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","1.54184","CuKα","","0.0747","0.0664","","","0.185","0.1976","","","","","","1.048","","","","has coordinates","238067","2020-10-21","18:00:00",""
"1554708","8.9522","0.0004","12.3288","0.0005","12.6211","0.0005","103.938","0.003","101.104","0.004","102.417","0.004","1275.71","0.1","291.69","0.1","291.69","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N5 O8 -","- C25 H22 Cl N5 O8 -","- C50 H44 Cl2 N10 O16 -","2","1","","Hao, Er-Jun; Fu, Dan-Dan; Wang, Dong-Chao; Zhang, Tao; Qu, Gui-Rong; Li, Gong-Xin; Lan, Yu; Guo, Hai-Ming","Chemoselective asymmetric dearomative [3 + 2] cycloaddition reactions of purines with aminocyclopropanes","Organic Chemistry Frontiers","2019","6","6","863","","10.1039/C9QO00039A","","x-ray","0.71073","MoKα","","0.0608","0.0503","","","0.1244","0.1314","","","","","","1.058","","","","has coordinates","238067","2020-10-21","18:00:00",""
"1554709","9.4007","0.0002","10.8468","0.0002","21.7267","0.0005","90","","90","","90","","2215.42","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","Shen, Guoli; Khan, Ruhima; Lv, Haiping; Yang, Yong; Zhang, Xia; Zhan, Yong; Zhou, Yongyun; Fan, Baomin","Palladium/silver co-catalyzed syn-stereoselective asymmetric ring-opening reactions of azabenzonorbornadienes with amides","Organic Chemistry Frontiers","2019","6","9","1423","","10.1039/C9QO00041K","","","1.54178","CuKα","","0.0365","0.0364","","","0.0944","0.0946","","","","","","1.087","","","","has coordinates","238069","2020-10-21","18:00:00",""
"1554710","7.4893","0.0009","3.8493","0.0004","19.835","0.002","90","","94.273","0.004","90","","570.23","0.11","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F2 S2 -","- C14 H8 F2 S2 -","- C28 H16 F4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","x-ray","0.71073","MoKα","","0.0902","0.0787","","","0.1626","0.1703","","","","","","1.342","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554711","5.9315","0.0006","4.9497","0.0005","18.794","0.002","90","","95.89","0.004","90","","548.86","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F N2 S2 -","- C12 H6 F N2 S2 -","- C24 H12 F2 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","x-ray","0.71073","MoKα","","0.0928","0.0818","","","0.1515","0.159","","","","","","1.174","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554712","5.7427","0.0003","5.5541","0.0003","17.1753","0.0008","90","","90.509","0.002","90","","547.79","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F2 N2 S2 -","- C12 H6 F2 N2 S2 -","- C24 H12 F4 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","x-ray","1.54178","CuKα","","0.035","0.0315","","","0.0832","0.085","","","","","","1.092","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554713","6.2999","0.0003","5.0655","0.0003","18.6515","0.0011","90","","90.341","0.002","90","","595.2","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 F4 S2 -","- C14 H6 F4 S2 -","- C28 H12 F8 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0472","0.0429","","","0.1048","0.107","","","","","","1.147","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554714","9.3302","0.0004","12.3529","0.0005","14.5826","0.0005","90","","106.185","0.001","90","","1614.11","0.11","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F N2 S2 Si2 -","- C30 H46 F N2 S2 Si2 -","- C60 H92 F2 N4 S4 Si4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0331","0.0296","","","0.0737","0.0757","","","","","","1.085","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554715","9.2882","0.0002","12.3511","0.0003","14.5307","0.0004","90","","105.826","0.001","90","","1603.77","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N2 S2 Si2 -","- C30 H48 N2 S2 Si2 -","- C60 H96 N4 S4 Si4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0422","0.0363","","","0.0877","0.0915","","","","","","1.056","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554716","5.0225","0.0008","7.1949","0.0014","17.29","0.003","84.549","0.003","83.096","0.002","70.873","0.002","584.99","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 F4 N2 S2 -","- C12 H4 F4 N2 S2 -","- C24 H8 F8 N4 S4 -","2","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","0.71073","MoKα","","0.0294","0.0266","","","0.066","0.0681","","","","","","1.04","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554717","9.3622","0.0003","12.3591","0.0004","14.6437","0.0004","90","","106.674","0.001","90","","1623.15","0.09","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F2 N2 S2 Si2 -","- C30 H46 F2 N2 S2 Si2 -","- C60 H92 F4 N4 S4 Si4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0311","0.0282","","","0.0717","0.0738","","","","","","1.075","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554718","3.8093","0.0003","6.6644","0.0004","21.5126","0.0015","90","","94.338","0.004","90","","544.57","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 F N2 S2 -","- C12 H5 F N2 S2 -","- C24 H10 F2 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0979","0.0846","","","0.1564","0.1609","","","","","","1.314","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554719","19.9633","0.0007","12.2859","0.0004","13.3676","0.0005","90","","90","","90","","3278.6","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H44 F4 N2 S2 Si2 -","- C30 H44 F4 N2 S2 Si2 -","- C120 H176 F16 N8 S8 Si8 -","4","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0235","0.0222","","","0.0557","0.0563","","","","","","1.068","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554720","6.6214","0.0004","25.6046","0.0015","7.2049","0.0004","90","","116.456","0.004","90","","1093.59","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F2 N2 S2 -","- C12 H6 F2 N2 S2 -","- C48 H24 F8 N8 S8 -","4","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0631","0.0591","","","0.1451","0.1468","","","","","","1.244","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554721","3.8531","0.0006","23.868","0.003","6.121","0.0009","90","","95.29","0.003","90","","560.53","0.14","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 F4 N2 S2 -","- C12 H4 F4 N2 S2 -","- C24 H8 F8 N4 S4 -","2","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","0.71073","MoKα","","0.032","0.0301","","","0.0761","0.0773","","","","","","1.079","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554722","15.9825","0.0007","9.7302","0.0004","13.6524","0.0004","90","","90","","90","","2123.12","0.14","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0265","0.0256","","","0.0616","0.0621","","","","","","1.104","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554723","10.2239","0.0005","11.009","0.0006","11.0538","0.0006","73.729","0.005","86.05","0.005","65.798","0.005","1087.85","0.11","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O2 -","- C29 H28 O2 -","- C58 H56 O4 -","2","1","","Zhang, He; Cao, Tongxiang; Luo, Hejiang; Chen, Lianfen; Zhu, Shifa","Enynone-enabled migratory insertion and Schmittel cyclization cascade for the synthesis of furan-fused fluorenes","Organic Chemistry Frontiers","2019","6","8","1118","","10.1039/C9QO00045C","","x-ray","0.71073","MoKα","","0.0577","0.0458","","","0.1096","0.1198","","","","","","1.043","","","","has coordinates","238075","2020-10-21","18:00:00",""
"1554724","11.5269","0.0006","6.9766","0.0004","23.812","0.0012","90","","98.369","0.005","90","","1894.54","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Zhang, He; Cao, Tongxiang; Luo, Hejiang; Chen, Lianfen; Zhu, Shifa","Enynone-enabled migratory insertion and Schmittel cyclization cascade for the synthesis of furan-fused fluorenes","Organic Chemistry Frontiers","2019","6","8","1118","","10.1039/C9QO00045C","","x-ray","0.71073","MoKα","","0.0474","0.0398","","","0.0945","0.0991","","","","","","1.084","","","","has coordinates","238075","2020-10-21","18:00:00",""
"1554725","22.035","0.012","15.426","0.007","17.593","0.01","90","","121.518","0.007","90","","5098","5","273","2","273","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","C60(OCH2CH2F)8","","- C76 H32 F8 O8 -","- C76 H32 F8 O8 -","- C304 H128 F32 O32 -","4","0.5","","Ma, Yue; Uchiyama, Kouya; Ueno, Hiroshi; Okada, Hiroshi; Moriyama, Hiroshi; Matsuo, Yutaka","Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study","Organic Chemistry Frontiers","2019","6","9","1372","","10.1039/C9QO00056A","","x-ray","0.71073","MoKα","","0.1435","0.0915","","","0.1406","0.1721","","","","","","1.054","","","","has coordinates","238077","2020-10-21","18:00:00",""
"1554726","21.782","","13.957","","24.511","","90","","110.66","","90","","6972.41","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","C60(OCH2CCl3)8","","- C76 H16 Cl24 O8 -","- C76 H16 Cl24 O8 -","- C304 H64 Cl96 O32 -","4","1","","Ma, Yue; Uchiyama, Kouya; Ueno, Hiroshi; Okada, Hiroshi; Moriyama, Hiroshi; Matsuo, Yutaka","Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study","Organic Chemistry Frontiers","2019","6","9","1372","","10.1039/C9QO00056A","","x-ray","0.71073","MoKα","","0.1543","0.1397","","","0.318","0.3292","","","","","","1.1","","","","has coordinates,has disorder","238077","2020-10-21","18:00:00",""
"1554727","5.0429","0.001","11.88","0.002","25.83","0.005","90","","90","","90","","1547.5","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O4 -","- C15 H18 Br N O4 -","- C60 H72 Br4 N4 O16 -","4","1","","Hu, Hui-Juan; Chen, Peng; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Highly efficient biocatalytic desymmetrization of meso carbocyclic 1,3-dicarboxamides: a versatile route for enantiopure 1,3-disubstituted cyclohexanes and cyclopentanes","Organic Chemistry Frontiers","2019","6","6","808","","10.1039/C9QO00069K","","","0.710747","MoKα","","0.0274","0.026","","","0.0573","0.0583","","","","","","1.066","","","","has coordinates","238079","2020-10-21","18:00:00",""
"1554728","6.5631","0.0014","12.796","0.003","18.385","0.004","90","","90","","90","","1544","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O4 -","- C15 H18 Br N O4 -","- C60 H72 Br4 N4 O16 -","4","1","","Hu, Hui-Juan; Chen, Peng; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Highly efficient biocatalytic desymmetrization of meso carbocyclic 1,3-dicarboxamides: a versatile route for enantiopure 1,3-disubstituted cyclohexanes and cyclopentanes","Organic Chemistry Frontiers","2019","6","6","808","","10.1039/C9QO00069K","","","0.71073","MoKα","","0.0529","0.0457","","","0.0763","0.0794","","","","","","1.147","","","","has coordinates","238079","2020-10-21","18:00:00",""
"1554729","16.191","0.002","17.7337","0.0007","8.5986","0.0011","90","","137.72","0.03","90","","1661","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 O2 P -","- C20 H17 O2 P -","- C80 H68 O8 P4 -","4","1","","Zhao, Xiuli; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Wu, Yangjie","Stepwise photosensitized C(sp3)‒C(CO) bond cleavage and C‒P bond formation of 1,3-dicarbonyls with arylphosphine oxides","Organic Chemistry Frontiers","2019","6","9","1433","","10.1039/C9QO00075E","","x-ray","1.54184","CuKα","","0.0405","0.0374","","","0.0923","0.0969","","","","","","1.072","","","","has coordinates","238081","2020-10-21","18:00:00",""
"1554730","12.1117","0.001","15.5259","0.0012","21.575","0.0018","95.307","0.003","97.116","0.003","101.212","0.002","3920.6","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 Cl O2 -","- C34 H25 Cl O2 -","- C204 H150 Cl6 O12 -","6","3","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.1596","0.0874","","","0.2316","0.267","","","","","","1.056","","","","has coordinates","238084","2020-10-21","18:00:00",""
"1554731","10.7141","0.0009","20.1653","0.0017","12.3094","0.0013","90","","107.329","0.003","90","","2538.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N2 O6 -","- C32 H20 N2 O6 -","- C128 H80 N8 O24 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.1205","0.0617","","","0.1276","0.1499","","","","","","1.02","","","","has coordinates,has disorder","238084","2020-10-21","18:00:00",""
"1554732","10.602","0.0012","20.505","0.002","12.2951","0.0013","90","","114.94","0.003","90","","2423.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Br O2 -","- C32 H21 Br O2 -","- C128 H84 Br4 O8 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.0894","0.0454","","","0.0939","0.1076","","","","","","1.026","","","","has coordinates","238084","2020-10-21","18:00:00",""
"1554733","9.998","0.007","15.063","0.011","15.716","0.011","63.252","0.013","83.527","0.015","76.536","0.016","2055","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 Cl O -","- C26 H19 Cl O -","- C104 H76 Cl4 O4 -","4","2","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.4157","0.1326","","","0.2689","0.3894","","","","","","1.006","","","","has coordinates","238084","2020-10-21","18:00:00",""
"1554734","13.3814","0.001","10.6318","0.0008","19.2274","0.0016","90","","92.604","0.003","90","","2732.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br O4 -","- C34 H25 Br O4 -","- C136 H100 Br4 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of dibenzo[b,d]furanes and 2,6-diaryl-4-(2-hydroxyphenyl)pyridines via domino reaction of pyridinium ylides with 2-aryl-3-nitrochromenes","Organic Chemistry Frontiers","2019","6","9","1428","","10.1039/C9QO00079H","","","0.71073","MoKα","","0.1384","0.0531","","","0.1044","0.1301","","","","","","1.006","","","","has coordinates","238084","2020-10-21","18:00:00",""
"1554735","9.3743","0.0005","13.379","0.0007","14.9327","0.0008","81.008","0.001","89.658","0.001","80.276","0.001","1822.85","0.17","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C32 H33 Cl3 N4 Ni O4 -","- C32 H33 Cl3 N4 Ni O4 -","- C64 H66 Cl6 N8 Ni2 O8 -","2","2","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.0609","0.0545","","","0.146","0.1513","","","","","","1.037","","","","has coordinates,has disorder","238086","2020-10-21","18:00:00",""
"1554736","9.846","0.0004","12.0451","0.0005","14.2648","0.0006","90","","110.181","0.001","90","","1587.89","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H19.5 N1.5 Ni0.5 O2 -","- C18.5 H19.5 N1.5 Ni0.5 O2 -","- C74 H78 N6 Ni2 O8 -","4","2","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.045","0.0372","","","0.0864","0.0899","","","","","","1.005","","","","has coordinates,has disorder","238086","2020-10-21","18:00:00",""
"1554737","11.452","0.0009","13.8346","0.0012","22.8016","0.0019","90","","90","","90","","3612.5","0.5","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl4 N3 Ni O3 -","- C36 H39 Cl4 N3 Ni O3 -","- C144 H156 Cl16 N12 Ni4 O12 -","4","1","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.0869","0.0634","","","0.1587","0.1773","","","","","","1.031","","","","has coordinates","238086","2020-10-21","18:00:00",""
"1554738","5.459","0.0003","7.8884","0.0003","51.7461","0.0018","90","","90","","90","","2228.33","0.17","295","2","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Xin, Xiaodong; Pan, Xinhui; Meng, Zhilin; Liu, Xigong; Liu, Lei","Catalytic enantioselective cross-dehydrogenative coupling of 3,6-dihydro-2H-pyrans with aldehydes","Organic Chemistry Frontiers","2019","6","9","1448","","10.1039/C9QO00123A","","x-ray","1.54184","CuKα","","0.0752","0.068","","","0.1962","0.2027","","","","","","1.055","","","","has coordinates","238088","2020-10-21","18:00:00",""
"1554739","12.1948","0.0012","18.8246","0.001","10.1822","0.0008","90","","105.486","0.009","90","","2252.6","0.3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C92 H76 Br4 N8 O12 S4 -","4","1","","Xu, Ze-Feng; Shan, Lihong; Zhang, Wan; Cen, Mengjie; Li, Chuan-Ying","Synthesis of α-aminoketones from N-sulfonyl-1,2,3-triazoles via N-sulfinyl imines generated by intramolecular oxygen transfer","Organic Chemistry Frontiers","2019","6","9","1391","","10.1039/C9QO00126C","","","0.71073","MoKα","","0.0601","0.041","","","0.0929","0.1025","","","","","","1.041","","","","has coordinates","238089","2020-10-21","18:00:00",""
"1554740","17.41181","0.00011","27.6471","0.00016","17.61491","0.00011","90","","90","","90","","8479.57","0.09","100","0.1","100","0.1","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C43 H36 N4 O9 -","- C43 H36 N4 O9 -","- C344 H288 N32 O72 -","8","1","","Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying","Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles","Organic Chemistry Frontiers","2019","6","10","1603","","10.1039/C9QO00127A","","x-ray","1.54184","CuKα","","0.0335","0.0331","","","0.0899","0.0905","","","","","","1.057","","","","has coordinates","238091","2020-10-21","18:00:00",""
"1554741","29.1304","0.0003","17.2687","0.0001","17.7328","0.0001","90","","103.665","0.001","90","","8667.88","0.12","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H37.5 N4 O9 -","- C40 H37.5 N4 O9 -","- C320 H300 N32 O72 -","8","2","","Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying","Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles","Organic Chemistry Frontiers","2019","6","10","1603","","10.1039/C9QO00127A","","x-ray","1.54184","CuKα","","0.0509","0.0499","","","0.1465","0.1481","","","","","","1.08","","","","has coordinates","238091","2020-10-21","18:00:00",""
"1554742","8.1722","0.0005","16.0848","0.0007","9.1272","0.0006","90","","95.0903","0.0016","90","","1195.02","0.12","123","","123","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H26 Cl2 Hf -","- C31 H26 Cl2 Hf -","- C62 H52 Cl4 Hf2 -","2","0.5","","Amaya, Toru; Katoh, Shun; Moriuchi, Toshiyuki; Hirao, Toshikazu","Synthesis of a sumanenyl hafnocene complex","Organic Chemistry Frontiers","2019","6","7","1032","","10.1039/C9QO00140A","","","0.71075","MoKα","","0.0464","0.0326","","","0.0619","0.0847","","","","","","1.234","","","","has coordinates","238093","2020-10-21","18:00:00",""
"1554743","7.272","0.0015","12.369","0.003","12.296","0.003","90","","105.99","0.03","90","","1063.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.1439","0.0602","","","0.0651","0.0808","","","","","","0.954","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554744","17.407","0.003","17.407","0.003","17.977","0.004","90","","90","","120","","4717.3","1.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C30 H43 N O7 -","- C30 H43 N O7 -","- C180 H258 N6 O42 -","6","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.2159","0.0896","","","0.1926","0.2444","","","","","","1.08","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554745","7.323","0.0015","12.384","0.003","12.233","0.002","90","","106.42","0.03","90","","1064.1","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H34 O5 -","- C24 H34 O5 -","- C48 H68 O10 -","2","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.0928","0.059","","","0.1519","0.1751","","","","","","1.027","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554746","10.391","0.002","12.429","0.003","18.269","0.004","90","","90","","90","","2359.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.1157","0.0623","","","0.139","0.1676","","","","","","1.003","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554747","13.0109","0.0008","11.5329","0.0005","16.1284","0.0009","90","","109.629","0.006","90","","2279.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl3 N2 O2 S -","- C25 H17 Cl3 N2 O2 S -","- C100 H68 Cl12 N8 O8 S4 -","4","1","","Wang, Shengzheng; Guo, Zhongjie; Wu, Ying; Liu, Wei; Liu, Xueying; Zhang, Shengyong; Sheng, Chunquan","Organocatalytic asymmetric synthesis of highly functionalized spiro-thiazolone‒cyclopropane-oxindoles bearing two vicinal spiro quaternary centers","Organic Chemistry Frontiers","2019","6","9","1442","","10.1039/C9QO00145J","","","1.54184","CuKα","","0.1366","0.1264","","","0.3338","0.338","","","","","","1.073","","","","has coordinates,has disorder","238096","2020-10-21","18:00:00",""
"1554748","13.41045","0.0001","13.41045","0.0001","40.0935","0.0005","90","","90","","90","","7210.42","0.12","120","0.16","120","0.16","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H34 I3 N3 -","- C40 H34 I3 N3 -","- C320 H272 I24 N24 -","8","1","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","0.71073","MoKα","","0.0551","0.0448","","","0.1136","0.1189","","","","","","1.106","","","","has coordinates","238098","2020-10-21","18:00:00",""
"1554749","32.9899","0.0005","32.9899","0.0005","14.3593","0.0004","90","","90","","90","","15627.7","0.5","120.01","0.1","120.01","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C152 H120 B4 F16 N8 Pd2 -","- C152 H120 B4 F16 N8 Pd2 -","- C608 H480 B16 F64 N32 Pd8 -","4","0.5","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","1.54184","CuKα","","0.0997","0.0861","","","0.2445","0.2598","","","","","","1.031","","","","has coordinates,has disorder","238098","2020-10-21","18:00:00",""
"1554750","46.6905","0.0008","26.3232","0.0003","31.9982","0.0005","90","","97.75","0.002","90","","38968","1","120.01","0.1","120.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C280 H248 F24 N8 O27 P8 Pd4 S8 -","- C280 H248 F24 N8 O27 P8 Pd4 S8 -","- C1120 H992 F96 N32 O108 P32 Pd16 S32 -","4","0.5","","Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.","Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands","Organic Chemistry Frontiers","2019","6","8","1226","","10.1039/C9QO00155G","","x-ray","1.54184","CuKα","","0.0992","0.0815","","","0.2423","0.2681","","","","","","1.033","","","","has coordinates,has disorder","238098","2020-10-21","18:00:00",""
"1554751","12.4931","0.0005","18.1989","0.0007","20.9673","0.0008","89.537","0.002","87.89","0.003","72.498","0.002","4543.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 N22 Na O21 S2 -","- C62 H74 N22 Na O21 S2 -","- C124 H148 N44 Na2 O42 S4 -","2","1","","Bauer, Daniel; Andrae, Beatrice; Gaß, Patrick; Trenz, Danjano; Becker, Sabine; Kubik, Stefan","Functionalisable acyclic cucurbiturils","Organic Chemistry Frontiers","2019","6","10","1555","","10.1039/C9QO00156E","","","1.54178","CuKα","","0.189","0.1246","","","0.282","0.3217","","","","","","1.037","","","","has coordinates,has disorder","238100","2020-10-21","18:00:00",""
"1554752","19.1042","0.0009","43.808","0.002","23.0275","0.0011","90","","90","","90","","19272.1","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H72 Cl2 N18 Na2 O19 S2 -","- C64 H72 Cl2 N18 Na2 O19 S2 -","- C512 H576 Cl16 N144 Na16 O152 S16 -","8","1","","Bauer, Daniel; Andrae, Beatrice; Gaß, Patrick; Trenz, Danjano; Becker, Sabine; Kubik, Stefan","Functionalisable acyclic cucurbiturils","Organic Chemistry Frontiers","2019","6","10","1555","","10.1039/C9QO00156E","","","1.54178","CuKα","","0.1383","0.1112","","","0.3068","0.3181","","","","","","2.172","","","","has coordinates,has disorder","238100","2020-10-21","18:00:00",""
"1554754","17.6358","0.0009","25.0174","0.0012","26.064","0.0013","90","","109.616","0.002","90","","10832.1","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H150 F12 N2 O18 P2 -","- C108 H150 F12 N2 O18 P2 -","- C432 H600 F48 N8 O72 P8 -","4","1","","Li, Dong-Hao; Yang, Liu-Pan; Chai, Hongxin; Jia, Fei; Ke, Hua; Jiang, Wei","Temperature-induced large amplitude conformational change in the complex of oxatub[4]arene revealed via rotaxane synthesis","Organic Chemistry Frontiers","2019","6","7","1027","","10.1039/C9QO00159J","","","1.54178","CuKα","","0.0681","0.0598","","","0.1741","0.1847","","","","","","1.052","","","","has coordinates,has disorder","238102","2020-10-21","18:00:00",""
"1554757","12.1293","0.0006","8.5068","0.0004","15.8667","0.0009","90","","92.925","0.005","90","","1635.02","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 F5 N2 O2 -","- C19 H11 F5 N2 O2 -","- C76 H44 F20 N8 O8 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0718","0.0499","","","0.1058","0.1188","","","","","","1.032","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554758","7.886","0.0004","9.5658","0.0007","11.4661","0.0007","86.429","0.005","79.097","0.005","77.958","0.006","830.42","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","1.54184","CuKα","","0.041","0.0396","","","0.1037","0.1047","","","","","","1.088","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554759","8.0444","0.001","10.7234","0.0012","11.5467","0.0013","71.104","0.01","70.41","0.011","73.474","0.01","870.38","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl N3 O3 -","- C21 H16 Cl N3 O3 -","- C42 H32 Cl2 N6 O6 -","2","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0759","0.0561","","","0.1276","0.1414","","","","","","1.037","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554760","7.7358","0.0005","9.6039","0.0006","11.631","0.0007","85.647","0.005","76.146","0.005","78.816","0.005","822.65","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C38 H40 N8 O6 -","2","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0588","0.0458","","","0.1048","0.1137","","","","","","1.033","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554761","8.7562","0.0001","23.4732","0.0003","8.8632","0.0002","90","","92.21","0.002","90","","1820.35","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C88 H76 N12 O16 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","1.54184","CuKα","","0.0435","0.0382","","","0.0967","0.099","","","","","","1.094","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554762","7.3959","0.0004","19.3566","0.0012","12.7098","0.0009","90","","91.147","0.006","90","","1819.2","0.2","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl F N3 O3 -","- C21 H15 Cl F N3 O3 -","- C84 H60 Cl4 F4 N12 O12 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1002","0.1079","","","","","","1.048","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554763","15.9357","0.0008","13.7866","0.0008","11.8725","0.0007","90","","93.908","0.005","90","","2602.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 F6 N3 O4 -","- C29 H19 F6 N3 O4 -","- C116 H76 F24 N12 O16 -","4","1","","Song, Zehua; Wang, Guotong; Li, Wei; Li, Shengkun","Innate pharmacophore assisted selective C‒H functionalization to therapeutically important nicotinamides","Organic Chemistry Frontiers","2019","6","10","1613","","10.1039/C9QO00170K","","x-ray","0.71073","MoKα","","0.0902","0.0643","","","0.15","0.1664","","","","","","1.071","","","","has coordinates","238105","2020-10-21","18:00:00",""
"1554766","15.267","0.009","19.087","0.01","24.39","0.015","87.94","0.03","83.839","0.018","73.08","0.02","6760","7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 Cl2 N4 O16 -","- C60 H78 Cl2 N4 O16 -","- C240 H312 Cl8 N16 O64 -","4","2","","Jordan, Jacobs H.; Wishard, Anthony; Mague, Joel T.; Gibb, Bruce C.","Binding properties and supramolecular polymerization of a water-soluble resorcin[4]arene","Organic Chemistry Frontiers","2019","6","8","1236","","10.1039/C9QO00182D","","","1.54184","CuKα","","0.1896","0.1646","","","0.4164","0.4366","","","","","","2.916","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1554768","9.9983","0.0002","16.3521","0.0004","19.4651","0.0005","102.163","0.001","90.869","0.001","105.091","0.001","2995.41","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6.21 H2.28 Cl0.48 N0.07 O0.28 S0 -","- C6.2069 H2.27586 Cl0.482759 N0.0689655 O0.275862 -","- C180 H66 Cl14 N2 O8 -","29","14.5","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","","0.6525","synchrotron","","0.0567","0.0545","","","0.1567","0.1595","","","","","","1.104","","","","has coordinates,has disorder","238110","2020-10-21","18:00:00",""
"1554769","10.4701","0.0003","25.097","0.0011","16.2566","0.0006","90","","91.218","0.003","90","","4270.8","0.3","179.98","0.11","179.98","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H54 N2 O10 S2 -","- C143 H54 N2 O10 S2 -","- C286 H108 N4 O20 S4 -","2","0.5","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","","0.71073","MoKα","","0.0873","0.0613","","","0.1482","0.1617","","","","","","1.001","","","","has coordinates,has disorder","238110","2020-10-21","18:00:00",""
"1554770","14.4203","0.0002","27.3088","0.0004","10.3569","0.0001","90","","94.182","0.001","90","","4067.7","0.09","180","0.1","180","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H22.75 N O4.88 S2 -","- C70 H22.734 N O4.867 S2 -","- C280 H90.936 N4 O19.468 S8 -","4","1","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0451","0.0433","","","0.1187","0.1202","","","","","","1.026","","","","has coordinates","238110","2020-10-21","18:00:00",""
"1554771","10.4366","0.0001","16.3952","0.0003","16.824","0.0003","110.869","0.001","99.019","0.001","100.619","0.001","2565.14","0.08","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C81 H42.7 N O5.85 S2 -","- C81 H42.7 N O5.85 S2 -","- C162 H85.4 N2 O11.7 S4 -","2","1","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0856","0.0773","","","0.1924","0.197","","","","","","1.01","","","","has coordinates,has disorder","238110","2020-10-21","18:00:00",""
"1554772","10.4595","0.0004","25.0584","0.001","16.2556","0.0007","90","","91.316","0.004","90","","4259.4","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H57.4 N2 O11.7 S2 -","- C143 H57.404 N2 O11.702 S2 -","- C286 H114.808 N4 O23.404 S4 -","2","0.5","","Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing","Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium","Organic Chemistry Frontiers","2019","6","9","1397","","10.1039/C9QO00188C","","x-ray","0.71073","MoKα","","0.0924","0.0681","","","0.1553","0.1679","","","","","","1.027","","","","has coordinates","238110","2020-10-21","18:00:00",""
"1554775","13.3462","0.0004","10.2259","0.0003","12.0633","0.0004","90","","96.466","0.001","90","","1635.89","0.09","161","2","161","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 Se -","- C19 H20 N2 Se -","- C76 H80 N8 Se4 -","4","1","","Guo, Tao; Wei, Xu-Ning; Liu, Yu; Zhang, Pan-Ke; Zhao, Yun-Hui","Oxidative dual C‒H selenation of imidazoheterocycles with ethers or alkanes using selenium powder via a radical pathway","Organic Chemistry Frontiers","2019","6","9","1414","","10.1039/C9QO00198K","","","1.54178","cukα","","0.0273","0.0261","","","0.0699","0.0712","","","","","","1.028","","","","has coordinates","238113","2020-10-21","18:00:00",""
"1554777","8.4621","0.0005","19.7458","0.001","21.2129","0.001","90","","90","","90","","3544.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N O3 P -","- C21 H18 N O3 P -","- C168 H144 N8 O24 P8 -","8","2","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0849","0.0738","","","0.1871","0.1949","","","","","","1.066","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554778","18.5757","0.0004","6.176","0.0002","18.9148","0.0005","90","","98.809","0.002","90","","2144.38","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N2 O2 P -","- C25 H23 N2 O2 P -","- C100 H92 N8 O8 P4 -","4","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0564","0.0408","","","0.0999","0.1093","","","","","","1.022","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554779","29.394","0.003","6.3419","0.0005","28.119","0.003","90","","121.188","0.004","90","","4484.2","0.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H14.5 Cl1.5 F3 N2 O2 P -","- C22.5 H14 Cl1.5 F3 N2 O2 P -","- C180 H112 Cl12 F24 N16 O16 P8 -","8","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.1045","0.0849","","","0.2236","0.2386","","","","","","1.086","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554780","24.331","0.004","10.2408","0.0018","14.54","0.003","90","","102.686","0.003","90","","3534.5","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N2 O2 P -","- C21 H15 N2 O2 P -","- C168 H120 N16 O16 P8 -","8","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","0.71073","MoKα","","0.0568","0.0369","","","0.0955","0.1104","","","","","","1.049","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554781","26.4131","0.0008","9.7872","0.0003","14.9148","0.0005","90","","115.7","0.001","90","","3474.22","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N2 O2 P -","- C21 H15 N2 O2 P -","- C168 H120 N16 O16 P8 -","8","1","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0385","0.0346","","","0.093","0.0967","","","","","","1.028","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554784","14.1538","0.0012","10.7714","0.0008","20.0319","0.0019","90","","90","","90","","3054","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O2 S2 -","- C13 H18 N2 O2 S2 -","- C104 H144 N16 O16 S16 -","8","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.1567","0.0652","","","0.124","0.1493","","","","","","0.927","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554785","5.1535","0.0002","7.3073","0.0003","16.2864","0.0007","81.694","0.002","82.41","0.002","74.561","0.001","582.16","0.04","109","2","109","2","","","","","","","","4","P -1","-P 1","2","KH-195","","","- C11 H12 O4 S2 -","- C11 H12 O4 S2 -","- C22 H24 O8 S4 -","2","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0459","0.0367","","","0.0941","0.0995","","","","","","1.076","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554786","19.6986","0.0013","10.9502","0.0008","16.5805","0.0011","90","","122.988","0.0017","90","","2999.9","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H38 O2 S2 -","- C36 H38 O2 S2 -","- C144 H152 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0457","0.0369","","","0.088","0.0921","","","","","","1.043","","","","has coordinates,has disorder","238118","2020-10-21","18:00:00",""
"1554787","9.4599","0.0007","10.4995","0.0008","17.9405","0.0013","82.254","0.002","86.522","0.003","88.292","0.002","1762","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","KH-11","","","- C40 H46 O2 S2 -","- C40 H46 O2 S2 -","- C80 H92 O4 S4 -","2","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.066","0.0501","","","0.1333","0.1452","","","","","","1.045","","","","has coordinates,has disorder","238118","2020-10-21","18:00:00",""
"1554788","11.3446","0.0008","17.747","0.0013","17.3945","0.0012","90","","97.039","0.002","90","","3475.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H48 O2 S2 -","- C41 H48 O2 S2 -","- C164 H192 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0798","0.0463","","","0.0976","0.1098","","","","","","1.028","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554789","10.5966","0.0004","11.0075","0.0004","13.0168","0.0005","90","","103.286","0.0013","90","","1477.67","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O2 S2 -","- C13 H18 N2 O2 S2 -","- C52 H72 N8 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0505","0.0407","","","0.0965","0.1012","","","","","","1.101","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554790","14.4032","0.0007","9.233","0.0005","24.7181","0.0015","90","","93.6338","0.0015","90","","3280.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 O2 S2 -","- C37 H40 O2 S2 -","- C148 H160 O8 S8 -","4","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.0599","0.0426","","","0.1038","0.1143","","","","","","1.051","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554792","12.234","0.0011","10.9831","0.0011","14.6454","0.0014","90","","111.492","0.003","90","","1831","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F6 Se -","- C24 H12 F6 Se -","- C96 H48 F24 Se4 -","4","1","","Shi, Xinzhe; Mao, Shuxin; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Palladium-catalyzed successive C‒H bond arylations and annulations toward the π-extension of selenophene-containing aromatic skeletons","Organic Chemistry Frontiers","2019","6","14","2398","","10.1039/C9QO00218A","","x-ray","0.71073","MoKα","","0.0331","0.0256","","","0.0625","0.0672","","","","","","1.048","","","","has coordinates","238120","2020-10-21","18:00:00",""
"1554795","11.6434","0.0005","14.186","0.0005","17.6525","0.0006","90","","90","","90","","2915.72","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 Br F3 N2 O3 -","- C36 H23 Br F3 N2 O3 -","- C144 H92 Br4 F12 N8 O12 -","4","1","","Li, Boyu; Gao, Fengyun; Feng, Xing; Sun, Mengmeng; Guo, Yifei; Wen, Dongwa; Deng, Yabo; Huang, Jinqi; Wang, Kairong; Yan, Wenjin","Highly efficient enantioselective synthesis of bispiro[benzofuran-oxindole-pyrrolidine]s through organocatalytic cycloaddition","Organic Chemistry Frontiers","2019","6","10","1567","","10.1039/C9QO00241C","","","1.54178","CuKα","","0.0321","0.0315","","","0.0782","0.0786","","","","","","1.001","","","","has coordinates","238123","2020-10-21","18:00:00",""
"1554799","9.8327","0.0003","16.984","0.0006","16.2007","0.0005","90","","101.138","0.001","90","","2654.54","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","2","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A‒C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0628","0.0615","","","0.1752","0.1773","","","","","","1.031","","","","has coordinates,has disorder","238126","2020-10-21","18:00:00",""
"1554800","12.0011","0.0003","13.3921","0.0003","17.7454","0.0004","90","","90","","90","","2852.04","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A‒C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0316","0.0316","","","0.0813","0.0814","","","","","","1.072","","","","has coordinates","238126","2020-10-21","18:00:00",""
"1554801","9.6691","0.0001","16.4235","0.0001","15.94","0.0001","90","","101.09","","90","","2484.01","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","2","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A‒C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0395","0.0391","","","0.1027","0.103","","","","","","1.035","","","","has coordinates","238126","2020-10-21","18:00:00",""
"1554805","12.983","0.003","13.401","0.003","29.22","0.006","81.31","0.03","77.62","0.03","61.97","0.03","4376","2","301","2","301","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C162 H174 Au4 Cl16 O8 P4 -","- C162 H174 Au4 Cl16 O8 P4 -","- C162 H174 Au4 Cl16 O8 P4 -","1","0.5","","Hau, Franky Ka-Wah; Cheung, Kai-Leung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Calixarene-based alkynyl-bridged gold(i) isocyanide and phosphine complexes as building motifs for the construction of chemosensors and supramolecular architectures","Organic Chemistry Frontiers","2019","6","8","1205","","10.1039/C9QO00258H","","x-ray","0.71073","MoKα","","0.1285","0.0751","","","0.2182","0.2492","","","","","","0.97","","","","has coordinates","238128","2020-10-21","18:00:00",""
"1554807","10.4979","0.0007","10.7112","0.0007","10.8365","0.0007","60.7986","0.0016","76.2796","0.0017","71.3801","0.0017","1003.08","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5a in manuscript","","","- C27 H23 N O -","- C27 H23 N O -","- C54 H46 N2 O2 -","2","1","","Lustosa, Danilo M.; Cieslik, Patrick; Hartmann, Deborah; Bruckhoff, Tim; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Direct access to benzo[b]fluorenes via a gold-catalysed A3-coupling strategy","Organic Chemistry Frontiers","2019","6","10","1655","","10.1039/C9QO00260J","","","0.71073","MoKα","","0.0956","0.0551","","","0.1259","0.1418","","","","","","1.023","","","","has coordinates","238130","2020-10-21","18:00:00",""
"1554808","6.7344","0.0004","18.9552","0.0012","15.1244","0.0008","90","","90.856","0.004","90","","1930.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","6a in manuscript","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","2","","Lustosa, Danilo M.; Cieslik, Patrick; Hartmann, Deborah; Bruckhoff, Tim; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Direct access to benzo[b]fluorenes via a gold-catalysed A3-coupling strategy","Organic Chemistry Frontiers","2019","6","10","1655","","10.1039/C9QO00260J","","","1.54178","CuKα","","0.1004","0.0799","","","0.2324","0.2432","","","","","","1.578","","","","has coordinates","238130","2020-10-21","18:00:00",""
"1554811","9.7212","0.0001","10.3208","0.0001","28.5171","0.0003","90","","90","","90","","2861.14","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O7 -","- C34 H30 N2 O7 -","- C136 H120 N8 O28 -","4","1","","Liu, Xiong-Li; Zuo, Xiong; Wang, Jun-Xin; Chang, Shun-qin; Wei, Qi-Di; Zhou, Ying","A bifunctional pyrazolone‒chromone synthon directed organocatalytic double Michael cascade reaction: forging five stereocenters in structurally diverse hexahydroxanthones","Organic Chemistry Frontiers","2019","6","9","1485","","10.1039/C9QO00265K","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.081","0.0813","","","","","","1.084","","","","has coordinates","238133","2020-10-21","18:00:00",""
"1554812","11.7466","0.0001","12.2636","0.0002","22.7319","0.0002","90","","93.091","0.001","90","","3269.89","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 F N3 O7 -","- C36 H32 F N3 O7 -","- C144 H128 F4 N12 O28 -","4","2","","Liu, Xiong-Li; Zuo, Xiong; Wang, Jun-Xin; Chang, Shun-qin; Wei, Qi-Di; Zhou, Ying","A bifunctional pyrazolone‒chromone synthon directed organocatalytic double Michael cascade reaction: forging five stereocenters in structurally diverse hexahydroxanthones","Organic Chemistry Frontiers","2019","6","9","1485","","10.1039/C9QO00265K","","x-ray","1.54184","CuKα","","0.0353","0.0345","","","0.0958","0.0964","","","","","","1.035","","","","has coordinates","238133","2020-10-21","18:00:00",""
"1554816","6.2353","0.0004","7.7873","0.0004","17.3098","0.001","90","","90.759","0.003","90","","840.42","0.08","170","2","169.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br F3 O2 -","- C17 H16 Br F3 O2 -","- C34 H32 Br2 F6 O4 -","2","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0375","0.0343","","","0.0841","0.0874","","","","","","1.064","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554817","10.6202","0.0004","6.377","0.0002","16.3385","0.0006","90","","98.252","0.001","90","","1095.07","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O7 S -","- C23 H21 N O7 S -","- C46 H42 N2 O14 S2 -","2","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","0.71073","MoKα","","0.054","0.0385","","","0.0991","0.1128","","","","","","1.041","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554818","6.4981","0.0003","15.2542","0.0006","17.146","0.0006","90","","90","","90","","1699.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 F3 O3 -","- C18 H17 F3 O3 -","- C72 H68 F12 O12 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.54178","CuKα","","0.0469","0.0445","","","0.1257","0.1298","","","","","","1.048","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554819","15.277","0.0004","8.0788","0.0002","21.7171","0.0005","90","","98.481","0.001","90","","2651.01","0.11","170","2","169.96","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H31 Ag F6 N2 P2 -","- C24 H31 Ag F6 N2 P2 -","- C96 H124 Ag4 F24 N8 P8 -","4","2","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0435","0.0405","","","0.0968","0.0997","","","","","","1.036","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554820","12.7111","0.0004","17.36","0.0006","15.7081","0.0005","90","","105.588","0.001","90","","3338.73","0.19","170","2","170.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Ag F6 N4 P2 -","- C31 H41 Ag F6 N4 P2 -","- C124 H164 Ag4 F24 N16 P8 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.34139","GaKα","","0.0437","0.0429","","","0.1263","0.1278","","","","","","1.108","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554821","11.3702","0.0003","12.6386","0.0003","17.83","0.0005","90","","103.361","0.001","90","","2492.88","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Ag F3 N2 O P -","- C25 H31 Ag F3 N2 O P -","- C100 H124 Ag4 F12 N8 O4 P4 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","0.71073","MoKα","","0.0284","0.026","","","0.0875","0.0904","","","","","","1.011","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554823","8.061","0.0002","10.8588","0.0002","27.7356","0.0006","90","","90","","90","","2427.77","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C108 H160 O16 -","4","1","","Xu, Hou-Chao; Hu, Kun; Shi, Xiao-Huo; Tang, Jian-Wei; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","Synergistic use of NMR computation and quantitative interproton distance analysis in the structural determination of neokadcoccitane A, a rearranged triterpenoid featuring an aromatic ring D from Kadsura coccinea","Organic Chemistry Frontiers","2019","6","10","1619","","10.1039/C9QO00281B","","","1.54178","CuKα","","0.036","0.0358","","","0.0981","0.0984","","","","","","1.085","","","","has coordinates","238140","2020-10-21","18:00:00",""
"1554825","5.4882","0.0007","11.1825","0.0015","11.6413","0.0016","62.292","0.014","80.059","0.011","76.727","0.011","613.82","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","1.54184","CuKα","","0.1177","0.0956","","","0.2368","0.2677","","","","","","1.009","","","","has coordinates","238142","2020-10-21","18:00:00",""
"1554826","15.105","0.0005","12.8664","0.0004","15.5822","0.0005","90","","91.952","0.003","90","","3026.6","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","0.71073","MoKα","","0.1063","0.0658","","","0.1466","0.1757","","","","","","1.041","","","","has coordinates","238142","2020-10-21","18:00:00",""
"1554827","7.1859","0.0004","12.0427","0.0007","12.0895","0.0009","93.791","0.005","100.927","0.005","98.538","0.005","1011.05","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 B F2 N4 O2 -","- C19 H17 B F2 N4 O2 -","- C38 H34 B2 F4 N8 O4 -","2","1","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","x-ray","0.71073","MoKα","","0.0683","0.0479","","","0.1168","0.1299","","","","","","1.018","","","","has coordinates","238142","2020-10-21","18:00:00",""
"1554828","10.668","0.0014","24.498","0.004","11.286","0.003","90","","93.034","0.012","90","","2945.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N3 O2.5 -","- C17 H16 N3 O2.5 -","- C136 H128 N24 O20 -","8","2","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","0.71073","MoKα","","0.2527","0.0753","","","0.0943","0.1374","","","","","","0.799","","","","has coordinates","238142","2020-10-21","18:00:00",""
"1554829","11.1306","0.0003","11.7622","0.0003","24.0194","0.0007","90","","91.217","0.002","90","","3143.92","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.14 H14.5 B F2 N3 O2 -","- C17 H16 B F2 N3 O2 -","- C136 H128 B8 F16 N24 O16 -","8","2","","Farinone, Marco; Cybińska, Joanna; Pawlicki, Miłosz","A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons","Organic Chemistry Frontiers","2019","6","16","2825","","10.1039/C9QO00294D","","","0.71073","MoKα","","0.0798","0.0599","","","0.1524","0.173","","","","","","1.04","","","","has coordinates,has disorder","238142","2020-10-21","18:00:00",""
"1554836","9.5782","0.0006","11.765","0.0004","20.2153","0.0009","90","","90","","90","","2278.01","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Dai, Chuan; Ma, Jun; Li, Min; Wu, Wen; Xia, Xuefeng; Zhang, Jinqiang","Diversity-oriented submonomer synthesis of azapeptides mediated by the Mitsunobu reaction","Organic Chemistry Frontiers","2019","6","14","2529","","10.1039/C9QO00296K","","","0.71073","MoKα","","0.0883","0.0601","","","0.1385","0.1634","","","","","","1.072","","","","has coordinates","238144","2020-10-21","18:00:00",""
"1554843","10.7226","0.0003","12.3939","0.0003","15.6108","0.0004","90","","92.991","0.003","90","","2071.77","0.09","123","40","123","40","","","","","","","","7","C 1 c 1","C -2yc","9","1a","","","- C16 H23 Cl F6 N3 O2 P -","- C16 H23 Cl F6 N3 O2 P -","- C64 H92 Cl4 F24 N12 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0509","0.0434","","","0.1061","0.1107","","","","","","1.038","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554844","11.8795","0.0005","14.5176","0.0005","12.6593","0.0006","90","","102.138","0.004","90","","2134.44","0.16","149","2","149","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 F6 N2 O2 P -","- C17 H23 Cl2 F6 N2 O2 P -","- C68 H92 Cl8 F24 N8 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0571","0.04","","","0.0888","0.0979","","","","","","1.035","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554845","36.485","0.007","10.158","0.002","16.856","0.003","90","","92.44","0.03","90","","6241","2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 F6 N4 O2 P -","- C28 H41 F6 N4 O2 P -","- C224 H328 F48 N32 O16 P8 -","8","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0861","0.0524","","","0.1225","0.1496","","","","","","1.096","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554846","24.915","0.002","8.8562","0.0007","19.8464","0.0018","90","","105.666","0.009","90","","4216.5","0.6","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H49 F12 N7 O4 P2 -","- C34 H49 F12 N7 O4 P2 -","- C136 H196 F48 N28 O16 P8 -","4","0.5","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.138","0.0803","","","0.1669","0.196","","","","","","1.048","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554847","10.7516","0.0004","12.0558","0.0006","14.8348","0.0006","107.62","0.004","93.413","0.003","109.731","0.004","1696.8","0.14","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","6c","","","- C26 H39.5 F9 N4.5 O5 P S -","- C26 H39.5 F9 N4.5 O5 P S -","- C52 H79 F18 N9 O10 P2 S2 -","2","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0828","0.0612","","","0.1572","0.1736","","","","","","1.04","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554848","7.59057","0.00019","26.3895","0.0007","12.488","0.0003","90","","107.133","0.003","90","","2390.48","0.11","149.95","0.1","149.95","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 Cl F6 N3 O2 P -","- C19 H29 Cl F6 N3 O2 P -","- C76 H116 Cl4 F24 N12 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0593","0.0449","","","0.0993","0.1058","","","","","","1.064","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554849","12.3903","0.001","16.1931","0.001","13.6174","0.0011","90","","113.783","0.01","90","","2500.1","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9b","","","- C21 H32 F6 N4 O2 P -","- C21 H32 F6 N4 O2 P -","- C84 H128 F24 N16 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0871","0.058","","","0.131","0.1473","","","","","","1.017","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554850","10.5891","0.0002","16.2883","0.0004","13.903","0.0003","90","","102.985","0.002","90","","2336.65","0.09","150","0.14","150","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6a","","","- C16 H23 F12 N3 O2 P2 -","- C16 H23 F12 N3 O2 P2 -","- C64 H92 F48 N12 O8 P8 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0846","0.053","","","0.1114","0.1245","","","","","","1.044","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554851","18.6093","0.0007","10.778","0.0003","15.4265","0.0006","90","","101.706","0.004","90","","3029.76","0.19","149","3","149","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Cl2 F6 N2 O2 P -","- C26 H41 Cl2 F6 N2 O2 P -","- C104 H164 Cl8 F24 N8 O8 P4 -","4","1","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0973","0.0544","","","0.1016","0.117","","","","","","1.01","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554852","9.5322","0.0004","18.6061","0.0007","21.1198","0.0011","83.275","0.004","88.086","0.004","80.993","0.003","3673.7","0.3","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C30.33 H52.53 Cl2.12 F6 N3 O2.44 P -","- C30.323 H52.528 Cl2.118 F6 N3 O2.441 P -","- C121.292 H210.112 Cl8.472 F24 N12 O9.764 P4 -","4","2","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.1554","0.1108","","","0.2715","0.2951","","","","","","1.105","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554853","12.7678","0.0013","11.6389","0.001","36.278","0.003","90","","94.051","0.007","90","","5377.6","0.8","150","0.14","150","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Cl F6 N3 O2 P -","- C22 H35 Cl F6 N3 O2 P -","- C176 H280 Cl8 F48 N24 O16 P8 -","8","2","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.2373","0.0847","","","0.1418","0.2095","","","","","","0.929","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554854","12.1931","0.0003","15.3991","0.0004","22.7102","0.0005","95.65","0.002","102.392","0.002","94.7722","0.0019","4120.61","0.18","149.95","0.1","149.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47.66 F12 N6.5 O4.08 P2 -","- C33 H47.659 F12 N6.5 O4.0795 P2 -","- C132 H190.636 F48 N26 O16.318 P8 -","4","2","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.0807","0.0581","","","0.1262","0.137","","","","","","1.02","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1554857","6.9512","0.0002","8.6039","0.0003","15.1128","0.0004","102.337","0.001","92.466","0.001","108.002","0.001","833.95","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","He, Fu-Sheng; Wu, Youqian; Li, Xiaofang; Xia, Hongguang; Wu, Jie","Photoredox-catalyzed sulfonylation of alkenylcyclobutanols with the insertion of sulfur dioxide through semipinacol rearrangement","Organic Chemistry Frontiers","2019","6","11","1873","","10.1039/C9QO00300B","","","1.34138","GaKα","","0.044","0.0415","","","0.1121","0.1148","","","","","","1.048","","","","has coordinates","238154","2020-10-21","18:00:00",""
"1554859","6.0877","0.0011","10.8073","0.0014","26.052","0.004","90","","93.948","0.006","90","","1709.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","","Xu, Dongyang; Wei, Hongbo; Zhen, Yanxia; Gao, Yu-Qi; Li, Ruoxin; Li, Xingzhou; He, Yupeng; Zhang, Zhong; Xie, Weiqing","Carboxylate phosphabetaine as a bifunctional organocatalyst for the intramolecular ring opening of oxetane","Organic Chemistry Frontiers","2019","6","10","1681","","10.1039/C9QO00304E","","","0.71073","","","0.0465","0.0383","","","0.0902","0.0943","","","","","","1.085","","","","has coordinates","238156","2020-10-21","18:00:00",""
"1554861","6.4968","0.0013","22.26","0.005","7.1909","0.0014","90","","116.2","0.03","90","","933.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 B0.75 O2.25 -","- C9 H11 B O3 -","- C36 H44 B4 O12 -","4","1","","Bhavanarushi, Sangepu; Xu, Yin; Khan, Imran; Luo, Zhibin; Liu, Bin; Xie, Jimin","Transition-metal-free borylation of propargylic alcohols: structurally variable synthesis in ionic liquid medium","Organic Chemistry Frontiers","2019","6","11","1895","","10.1039/C9QO00322C","","","0.71073","MoKα","","0.0449","0.0385","","","0.136","0.1423","","","","","","1.105","","","","has coordinates","238158","2020-10-21","18:00:00",""
"1554863","5.41","0.002","17.433","0.007","11.237","0.004","90","","93.29","0.007","90","","1058","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 F3 N2 O2 -","- C11 H7 F3 N2 O2 -","- C44 H28 F12 N8 O8 -","4","1","","Peng, Xiaofeng; Zhang, Xiaofei; Li, Shunyao; Lu, Yunfu; Lan, Lefu; Yang, Chunhao","Silver-mediated synthesis of novel 3-CF3/CN/phosphonate-substituted pyrazoles as pyrrolomycin analogues from 3-formylchromones and diazo compounds","Organic Chemistry Frontiers","2019","6","11","1775","","10.1039/C9QO00324J","","","0.71073","MoKα","","0.1046","0.0595","","","0.1375","0.1599","","","","","","1.019","","","","has coordinates","238160","2020-10-21","18:00:00",""
"1554865","12.2161","0.0005","12.5468","0.0005","16.7879","0.0007","90","","90","","90","","2573.13","0.18","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O9 S -","- C24 H22 N2 O9 S -","- C96 H88 N8 O36 S4 -","4","1","","Zhou, Qing; Chen, Bo; Huang, Xiao-Bing; Zeng, Ya-Li; Chu, Wen-Dao; He, Long; Liu, Quan-Zhong","Palladium-catalyzed diastereo- and enantioselective formal [3 + 2] cycloaddition of vinyl cyclopropanes with cyclic 1-azadienes","Organic Chemistry Frontiers","2019","6","11","1891","","10.1039/C9QO00325H","","","1.54178","CuKα","","0.072","0.0579","","","0.1392","0.1531","","","","","","1.088","","","","has coordinates","238162","2020-10-21","18:00:00",""
"1554866","10.3133","0.0004","11.2328","0.0004","19.0954","0.0008","90","","99.604","0.002","90","","2181.14","0.15","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","1","","Zhou, Qing; Chen, Bo; Huang, Xiao-Bing; Zeng, Ya-Li; Chu, Wen-Dao; He, Long; Liu, Quan-Zhong","Palladium-catalyzed diastereo- and enantioselective formal [3 + 2] cycloaddition of vinyl cyclopropanes with cyclic 1-azadienes","Organic Chemistry Frontiers","2019","6","11","1891","","10.1039/C9QO00325H","","","1.54178","CuKα","","0.054","0.0499","","","0.1332","0.1372","","","","","","1.038","","","","has coordinates","238162","2020-10-21","18:00:00",""
"1554868","5.9309","0.0006","17.47","0.002","19.675","0.003","90","","90","","90","","2038.6","0.4","173","2","173","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","4-spiropyrazolone","3-(4-chlorophenyl)-7-methoxy-3'-methyl-1'-phenyl-3H-spiro[benzofuran-2,4'-pyrazol]-5'(1'H)-one","","- C24 H19 Cl N2 O3 -","- C24 H19 Cl N2 O3 -","- C96 H76 Cl4 N8 O12 -","4","1","","Chu, Ming-Ming; Qi, Suo-Suo; Wang, Yi-Feng; Wang, Biao; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Organocatalytic asymmetric [4 + 1] annulation of in situ generated ortho-quinomethanes with 4-halo pyrazolones: straightforward access to chiral spiro-benzofuran pyrazolones","Organic Chemistry Frontiers","2019","6","12","1977","","10.1039/C9QO00332K","","","0.71073","MoKα","","0.0663","0.0585","","","0.1544","0.1624","","","","","","1.085","","","","has coordinates","238164","2020-10-21","18:00:00",""
"1554870","9.3579","0.0019","12.566","0.003","29.371","0.006","90","","96.6","0.03","90","","3430.9","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","2","","Zhang, Wei; Zheng, Han-Liang; Liu, Yang; Yu, Ao; Yang, Chen; Li, Xin; Cheng, Jin-Pei","Catalyst-free amination of α-cyanoarylacetates enabled by single-electron transfer","Organic Chemistry Frontiers","2019","6","11","1900","","10.1039/C9QO00346K","","","0.71073","MoKα","","0.0772","0.0543","","","0.1222","0.1366","","","","","","1.053","","","","has coordinates","238166","2020-10-21","18:00:00",""
"1554872","7.807","0.0003","15.9924","0.0005","10.5193","0.0004","90","","109.003","0.004","90","","1241.79","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N3 O4 -","- C28 H29 N3 O4 -","- C56 H58 N6 O8 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Xiao-Jian; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","A AgOAc/quinine-derived aminophosphine complex as an efficient catalyst for diastereo- and enantioselective 1,3-dipolar cycloaddition of α,β-unsaturated 7-azaindoline amides and azomethine ylides","Organic Chemistry Frontiers","2019","6","11","1879","","10.1039/C9QO00347A","","x-ray","1.54184","CuKα","","0.0442","0.0395","","","0.1007","0.106","","","","","","1.042","","","","has coordinates","238168","2020-10-21","18:00:00",""
"1554874","8.0029","0.0001","15.3468","0.0003","17.8042","0.0003","90","","90","","90","","2186.69","0.06","299.44","0.1","299.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.0883","0.0915","","","","","","1.081","","","","has coordinates","238170","2020-10-21","18:00:00",""
"1554876","14.3037","0.0001","14.0845","0.0001","23.7866","0.0002","90","","91.922","0.001","90","","4789.36","0.06","104","7","104","7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H27 N2 O4.5 -","- C29 H27 N2 O4.5 -","- C232 H216 N16 O36 -","8","2","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0433","0.0414","","","0.1125","0.1141","","","","","","1.032","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1554879","8.09067","0.00008","25.4976","0.0003","41.3088","0.0004","90","","90","","90","","8521.7","0.15","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28.33333 H40.33333 N O9.33333 -","- C28.3333 H40.3333 N O9.33333 -","- C340 H484 N12 O112 -","12","3","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0426","0.037","","","0.0941","0.0974","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554881","12.0924","0.001","16.7422","0.0011","8.278","0.0007","90","","107.825","0.009","90","","1595.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","0.71073","MoKα","","0.0862","0.0579","","","0.1284","0.1514","","","","","","1.051","","","","has coordinates","238177","2020-10-21","18:00:00",""
"1554882","6.4241","0.0006","10.1906","0.0011","11.3167","0.0014","68.951","0.011","83.144","0.009","83.818","0.008","684.79","0.14","294.9","0.7","294.9","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 F3 O5 -","- C14 H13 F3 O5 -","- C28 H26 F6 O10 -","2","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","1.54184","CuKα","","0.0494","0.0415","","","0.1124","0.122","","","","","","1.033","","","","has coordinates","238177","2020-10-21","18:00:00",""
"1554883","12.1636","0.0011","10.2486","0.0007","12.3402","0.0011","90","","110.011","0.01","90","","1445.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","0.71073","MoKα","","0.0858","0.0532","","","0.1195","0.1438","","","","","","1.032","","","","has coordinates","238177","2020-10-21","18:00:00",""
"1554884","7.6075","0.001","9.2096","0.0012","19.424","0.003","90","","98.561","0.002","90","","1345.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Zhang, Zhen; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","Copper-catalyzed highly diastereoselective cross-dehydrogenative coupling between 8-hydroxyisochromanes and 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2019","6","13","2275","","10.1039/C9QO00353C","","","0.71073","MoKα","","0.0541","0.0419","","","0.1348","0.1506","","","","","","0.998","","","","has coordinates","238177","2020-10-21","18:00:00",""
"1554886","10.9357","0.0005","11.7723","0.0006","24.8931","0.0009","90","","90","","90","","3204.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Cl3 N2 O5 S -","- C33 H27 Cl3 N2 O5 S -","- C132 H108 Cl12 N8 O20 S4 -","4","1","","Ren, Xiao-Rui; Lin, Jun-Bing; Hu, Xiu-Qin; Xu, Peng-Fei","Bifunctional Brønsted base catalyzed inverse-electron-demand aza-Diels‒Alder reactions of saccharin-derived 1-azadienes with azlactones","Organic Chemistry Frontiers","2019","6","13","2280","","10.1039/C9QO00357F","","","0.71073","MoKα","","0.0793","0.056","","","0.1179","0.1352","","","","","","1.048","","","","has coordinates,has disorder","238179","2020-10-21","18:00:00",""
"1554888","5.4632","0.0004","16.8139","0.0011","10.7302","0.0007","90","","98.574","0.002","90","","974.64","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.33 H3 N0.33 O0.33 Se0.33 -","- C3.33333 H3 N0.333333 O0.333333 Se0.333333 -","- C40 H36 N4 O4 Se4 -","12","3","","Xiao, Jun-An; Li, Yu-Chun; Cheng, Xiu-Liang; Chen, Wen-Qiang; Cui, Jian-Guo; Huang, Yan-Min; Huang, Jun; Xiao, Qi; Su, Wei; Yang, Hua","Selenocyanobenziodoxolone: a practical electrophilic selenocyanation reagent and its application for solid-state synthesis of α-carbonyl selenocyanates","Organic Chemistry Frontiers","2019","6","12","1967","","10.1039/C9QO00358D","","","0.71073","MoKα","","0.0768","0.0387","","","0.0749","0.0859","","","","","","1.026","","","","has coordinates","238181","2020-10-21","18:00:00",""
"1554889","10.1323","0.0006","7.4394","0.0005","15.4852","0.001","90","","100.787","0.002","90","","1146.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3.43 H4.71 N0.14 O0.43 Se0.14 -","- C3.42857 H4.71429 N0.142857 O0.428571 Se0.142857 -","- C48 H66 N2 O6 Se2 -","14","7","","Xiao, Jun-An; Li, Yu-Chun; Cheng, Xiu-Liang; Chen, Wen-Qiang; Cui, Jian-Guo; Huang, Yan-Min; Huang, Jun; Xiao, Qi; Su, Wei; Yang, Hua","Selenocyanobenziodoxolone: a practical electrophilic selenocyanation reagent and its application for solid-state synthesis of α-carbonyl selenocyanates","Organic Chemistry Frontiers","2019","6","12","1967","","10.1039/C9QO00358D","","","0.71073","MoKα","","0.0547","0.0362","","","0.0786","0.0849","","","","","","1.023","","","","has coordinates","238181","2020-10-21","18:00:00",""
"1554891","7.229","0.004","11.212","0.006","22.921","0.012","90","","90","","90","","1857.8","1.7","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cl O5 -","- C21 H21 Cl O5 -","- C84 H84 Cl4 O20 -","4","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.1004","0.0738","","","0.1835","0.2015","","","","","","1.002","","","","has coordinates","238183","2020-10-21","18:00:00",""
"1554892","10.3231","0.0013","8.3376","0.001","10.651","0.0013","90","","116.926","0.002","90","","817.35","0.17","100.15","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.0432","0.0357","","","0.0852","0.0905","","","","","","1.048","","","","has coordinates","238183","2020-10-21","18:00:00",""
"1554893","10.5134","0.0013","7.5193","0.0009","22.921","0.003","90","","90","","90","","1812","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O4 -","- C21 H19 Cl O4 -","- C84 H76 Cl4 O16 -","4","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.0627","0.0472","","","0.1089","0.119","","","","","","1.036","","","","has coordinates","238183","2020-10-21","18:00:00",""
"1554895","14.05","0.0011","8.3338","0.0006","14.2852","0.0011","90","","101.509","0.001","90","","1639","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-ethyl-3-nitro-1-tosyl-1H-indazole","","- C16 H15 N3 O4 S -","- C16 H15 N3 O4 S -","- C64 H60 N12 O16 S4 -","4","1","","Wang, Guodong; Sun, Jian; Wang, Kai; Han, Junfen; Li, Hongshuang; Duan, Guiyun; You, Guirong; Li, Furong; Xia, Chengcai","Palladium-catalyzed direct C‒H nitration and intramolecular C‒H functionalization for the synthesis of 3-nitro-1-(phenylsulfonyl)-1H-indazole derivatives","Organic Chemistry Frontiers","2019","6","10","1608","","10.1039/C9QO00367C","","","0.71073","MoKα","","0.0499","0.0408","","","0.1057","0.1132","","","","","","1.042","","","","has coordinates","238185","2020-10-21","18:00:00",""
"1554897","7.9218","0.0011","6.5193","0.0008","13.434","0.0016","90","","101.58","0.004","90","","679.67","0.15","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 8-azaspiro[bicyclo[3.2.1]octane-(exo)-3,2?-oxirane]-8-carboxylate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Mandzhulo, Aleksandr; Vashchenko, Iryna; Gerasov, Andrii; Vovk, Mykhaylo; Rusanov, Eduard; Fetyukhin, Volodymyr; Lukin, Oleg; Shivanyuk, Alexander","Selective synthesis of N-protected exo-spiro[oxirane-3,2′-tropanes]","Organic Chemistry Frontiers","2019","6","10","1692","","10.1039/C9QO00377K","","","0.71073","MoKα","","0.0391","0.0337","","","0.0751","0.0772","","","","","","1.047","","","","has coordinates","238187","2020-10-21","18:00:00",""
"1554899","8.9194","0.0008","12.8315","0.0012","18.5057","0.0018","90","","90","","90","","2118","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Zhao, Nan; Xie, Shengling; Tian, Peilin; Tong, Rongbiao; Ning, Chengqing; Xu, Jing","Asymmetric total synthesis of (+)-astellatol and (−)-astellatene","Organic Chemistry Frontiers","2019","6","12","2014","","10.1039/C9QO00384C","","","1.54184","CuKα","","0.0724","0.0659","","","0.1672","0.1734","","","","","","1.069","","","","has coordinates","238189","2020-10-21","18:00:00",""
"1554901","9.9964","0.0003","10.5385","0.0003","17.4587","0.0005","90","","90","","90","","1839.22","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zhang, Jing; Tang, Xuli; Han, Xiao; Feng, Danqing; Luo, Xiangchao; Ofwegen, Leen van; Li, Pinglin; Li, Guoqiang","Sarcoglaucins A-I, new antifouling cembrane-type diterpenes from the South China Sea soft coral Sarcophyton glaucum","Organic Chemistry Frontiers","2019","6","12","2004","","10.1039/C9QO00386J","","x-ray","1.54184","CuKα","","0.042","0.0365","","","0.0822","0.0857","","","","","","1.039","","","","has coordinates","238192","2020-10-21","18:00:00",""
"1554903","6.5666","0.0003","16.4713","0.0006","8.0376","0.0004","90","","111.405","0.005","90","","809.39","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Wang, Bo; Wang, Yuankai; Wang, Zixuan; Wang, Jianbo","Rh(i)-Catalyzed intramolecular [2 + 2 + 1] cycloaddition of diynes with the N-terminal of the diazo group","Organic Chemistry Frontiers","2019","6","14","2329","","10.1039/C9QO00403C","","","0.71073","MoKα","","0.0377","0.0347","","","0.0855","0.088","","","","","","1.057","","","","has coordinates","238194","2020-10-21","18:00:00",""
"1554905","15.1446","0.0014","24.455","0.002","20.982","0.003","90","","93.45","0.003","90","","7756.8","1.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 F4 O7 -","- C45 H42 F4 O7 -","- C360 H336 F32 O56 -","8","1","","Wu, Tuoqi; Senior, James; Bremner, Glen; Finden, Jeremy; Branda, Neil R.","Unusual structural changes as a result of weathering benzofuran-based diarylethenes in simulated sunlight","Organic Chemistry Frontiers","2019","6","12","1961","","10.1039/C9QO00409B","","","0.71073","MoKα","","0.0658","0.0493","","","0.129","0.1405","","","","","","1.041","","","","has coordinates","238196","2020-10-21","18:00:00",""
"1554906","11.4709","0.0017","13.897","0.002","14.895","0.002","107.986","0.004","112.427","0.004","96.387","0.005","2015.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H45 F4 O7 -","- C47 H45 F4 O7 -","- C94 H90 F8 O14 -","2","1","","Wu, Tuoqi; Senior, James; Bremner, Glen; Finden, Jeremy; Branda, Neil R.","Unusual structural changes as a result of weathering benzofuran-based diarylethenes in simulated sunlight","Organic Chemistry Frontiers","2019","6","12","1961","","10.1039/C9QO00409B","","","0.71073","MoKα","","0.1248","0.0777","","","0.2288","0.2729","","","","","","1.082","","","","has coordinates","238196","2020-10-21","18:00:00",""
"1554908","10.273","0.004","10.178","0.004","16.954","0.007","90","","99.61","0.006","90","","1747.8","1.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Zhao, Hong-Ping; Ma, Xiao-Pan; Nie, Shu-Min; Xiao, Yuhong; Mo, Dong-Liang","Synthesis of chromeno[4,3-b]quinolines and spirobenzofuran-3,3′-quinolines through silver-mediated Appel reaction/C‒Br bond cleavage/double selective rearrangement sequence","Organic Chemistry Frontiers","2019","6","14","2334","","10.1039/C9QO00417C","","","0.71073","MoKα","","0.0504","0.0408","","","0.1109","0.1202","","","","","","1.041","","","","has coordinates","238198","2020-10-21","18:00:00",""
"1554910","10.5982","0.0007","10.2369","0.0007","20.9415","0.0014","90","","99.629","0.001","90","","2240","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Wang, Jian; Cai, Panyuan; He, Yimiao; Liu, Yuan; Zhong, Ling; Ding, Shumin; Shang, Yongjia","Tuneable access to isoquinolines via a transition-metal-free C(sp3)‒C(sp3) bond cleavage rearrangement reaction","Organic Chemistry Frontiers","2019","6","14","2430","","10.1039/C9QO00427K","","","0.71073","MoKα","","0.062","0.0426","","","0.0977","0.1085","","","","","","1.02","","","","has coordinates","238200","2020-10-21","18:00:00",""
"1554911","10.7138","0.0003","10.8978","0.0003","12.099","0.0003","92.748","0.001","96.702","0.001","90.476","0.001","1401.24","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 F6 N2 O P Ru -","- C27 H29 F6 N2 O P Ru -","- C54 H58 F12 N4 O2 P2 Ru2 -","2","1","","Hong, Xi; Zhou, Quan; Huang, Shuang; Cui, He-Zhen; Li, Zhi-Ming; Hou, Xiu-Feng","Transition metal catalysed C7 and ortho-selective halogenation of 2-arylbenzo[d]oxazoles","Organic Chemistry Frontiers","2019","6","13","2226","","10.1039/C9QO00429G","","","1.34138","GaKα","","0.0258","0.0242","","","0.0648","0.0659","","","","","","1.053","","","","has coordinates,has disorder","238201","2020-10-21","18:00:00",""
"1554913","6.8959","0.0008","7.1261","0.0006","24.02","0.003","90","","90","","90","","1180.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Feng, Guang-Shou; Zhao, Zi-Biao; Shi, Lei; Zhou, Yong-Gui","Iridium-catalyzed asymmetric hydrogenation of quinazolinones","Organic Chemistry Frontiers","2019","6","13","2250","","10.1039/C9QO00443B","","","1.54178","CuKα","","0.1156","0.0683","","","0.1729","0.2048","","","","","","0.912","","","","has coordinates","238203","2020-10-21","18:00:00",""
"1554918","8.4795","0.0001","18.0358","0.0001","21.5437","0.0001","90","","90","","90","","3294.78","0.05","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Br F3 N3 O3 -","- C35 H27 Br F3 N3 O3 -","- C140 H108 Br4 F12 N12 O12 -","4","1","","Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing","Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts","Organic Chemistry Frontiers","2019","6","12","1989","","10.1039/C9QO00452A","","x-ray","1.54184","CuKα","","0.0591","0.0577","","","0.1511","0.1528","","","","","","1.041","","","","has coordinates","238208","2020-10-21","18:00:00",""
"1554919","11.9726","0.0002","16.0021","0.0003","18.2529","0.0004","90","","90","","90","","3497.01","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Cl2 F4 N2 O3 -","- C40 H32 Cl2 F3 N3 O3 -","- C160 H128 Cl8 F12 N12 O12 -","4","1","","Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing","Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts","Organic Chemistry Frontiers","2019","6","12","1989","","10.1039/C9QO00452A","","x-ray","1.54184","CuKα","","0.0556","0.0528","","","0.1401","0.1448","","","","","","1.026","","","","has coordinates,has disorder","238208","2020-10-21","18:00:00",""
"1554922","21.4324","0.0012","13.5256","0.0008","8.8733","0.0005","90","","90","","90","","2572.2","0.3","292.94","0.1","292.94","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H28 N2 O5 -","- C31 H28 N2 O5 -","- C124 H112 N8 O20 -","4","1","","Zhang, Si-Chen; Lei, Xin-Xin; Yang, Yong-jian; Luo, Yong-Chun; Zhang, Huan-Huan; Xu, Peng-Fei","Palladium catalysed [3 + 2]-annulation reaction of vinylcyclopropanes with pentafulvenes: synthesis of polysubstituted spiro[4,4]nona-6,8-dienes","Organic Chemistry Frontiers","2019","6","14","2415","","10.1039/C9QO00467J","","","0.71073","MoKα","","0.0811","0.0502","","","0.0894","0.1086","","","","","","1.055","","","","has coordinates","238211","2020-10-21","18:00:00",""
"1554923","8.9859","0.0013","10.004","0.002","15.8029","0.0018","97.57","0.013","90.211","0.011","115.564","0.017","1267.4","0.4","293","0.1","293","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N3 O3 -","- C30 H25 N3 O3 -","- C60 H50 N6 O6 -","2","1","","Zhang, Si-Chen; Lei, Xin-Xin; Yang, Yong-jian; Luo, Yong-Chun; Zhang, Huan-Huan; Xu, Peng-Fei","Palladium catalysed [3 + 2]-annulation reaction of vinylcyclopropanes with pentafulvenes: synthesis of polysubstituted spiro[4,4]nona-6,8-dienes","Organic Chemistry Frontiers","2019","6","14","2415","","10.1039/C9QO00467J","","x-ray","1.54184","CuKα","","0.0585","0.0458","","","0.1141","0.1273","","","","","","1.029","","","","has coordinates","238211","2020-10-21","18:00:00",""
"1554925","9.1965","0.0003","9.694","0.0004","38.3086","0.0014","90","","90","","90","","3415.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Br Cl3 N3 O4 -","- C38 H31 Br Cl3 N3 O4 -","- C152 H124 Br4 Cl12 N12 O16 -","4","1","","Zhang, Jing; Chan, Wai-Lun; Chen, Ligong; Ullah, Nisar; Lu, Yixin","Creation of bispiro[pyrazolone-3,3′-oxindoles] via a phosphine-catalyzed enantioselective [3 + 2] annulation of the Morita‒Baylis‒Hillman carbonates with pyrazoloneyldiene oxindoles","Organic Chemistry Frontiers","2019","6","13","2210","","10.1039/C9QO00471H","","","1.54178","CuKα","","0.0252","0.0249","","","0.0597","0.0599","","","","","","1.082","","","","has coordinates,has disorder","238213","2020-10-21","18:00:00",""
"1554927","20.961","0.008","20.961","0.008","7.086","0.003","90","","90","","120","","2696.2","1.8","273","2","273.15","","","","","","","","","3","R 3 :H","R 3","146","","","","- C16 H18 O -","- C16 H18 O -","- C144 H162 O9 -","9","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.1082","0.0714","","","0.1619","0.1846","","","","","","0.936","","","","has coordinates","238215","2020-10-21","18:00:00",""
"1554928","42.742","0.003","10.4771","0.0009","10.9037","0.0009","90","","93.609","0.006","90","","4873.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 O3 Si -","- C27 H33.992 O3 Si -","- C216 H271.936 O24 Si8 -","8","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.0939","0.0697","","","0.1464","0.1574","","","","","","1.105","","","","has coordinates,has disorder","238215","2020-10-21","18:00:00",""
"1554929","7.3423","0.001","8.4321","0.0009","10.4623","0.0011","85.681","0.008","85.985","0.01","78.332","0.01","631.55","0.13","185.1","0.6","185.1","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.0525","0.0443","","","0.1051","0.11","","","","","","1.034","","","","has coordinates","238215","2020-10-21","18:00:00",""
"1554931","17.4772","0.0006","10.488","0.0005","19.6463","0.0005","90","","90","","90","","3601.2","0.2","296.8","0.2","296.8","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","","Huang, Guofei; Ren, Xiaoyu; Jiang, Chunhui; Wu, Jia-Hong; Gao, Guowei; Wang, Tianli","Efficient synthesis of (E)-2-nitromethylcinnamates via phosphine-catalyzed tandem α-addition and 1,3-rearrangement","Organic Chemistry Frontiers","2019","6","16","2872","","10.1039/C9QO00478E","","x-ray","1.54184","CuKα","","0.0659","0.056","","","0.1629","0.1792","","","","","","0.903","","","","has coordinates","238217","2020-10-21","18:00:00",""
"1554933","15.971","0.004","4.2214","0.0011","13.319","0.003","90","","90","","90","","898","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","","Peng, Yingyuan; He, Qian; Zhang, Xiaofei; Yang, Chunhao","Pd-Catalyzed intramolecular C‒H activation and C‒S formation to synthesize pyrazolo[5,1-b]benzothiazoles without an additional oxidant","Organic Chemistry Frontiers","2019","6","18","3234","","10.1039/C9QO00484J","","","0.71073","MoKα","","0.0485","0.0387","","","0.0807","0.0848","","","","","","0.991","","","","has coordinates","238219","2020-10-21","18:00:00",""
"1554936","10.8238","0.0004","10.3557","0.0003","17.8199","0.0007","90","","96.908","0.003","90","","1982.9","0.12","295.91","0.1","295.91","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0737","0.0671","","","0.1697","0.18","","","","","","1.072","","","","has coordinates","238222","2020-10-21","18:00:00",""
"1554938","21.7832","0.0003","21.7832","0.0003","8.49552","0.00015","90","","90","","90","","4031.19","0.11","297.8","0.2","297.8","0.2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C160 H168 N24 O32 -","8","1","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0659","0.0634","","","0.151","0.1561","","","","","","1.063","","","","has coordinates","238224","2020-10-21","18:00:00",""
"1554939","6.9944","0.0003","7.8586","0.0004","26.1858","0.0011","85.696","0.004","89.837","0.004","79.658","0.004","1411.87","0.11","296.9","0.6","296.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","2","","Zhang, Xiang; Huang, Qing-Fei; Zou, Wen-Lin; Li, Qing-Zhu; Feng, Xin; Jia, Zhi-Qiang; Liu, Yue; Li, Jun-Long; Wang, Qi-Wei","Synthetic approach to skeletally diverse nitrogen heterocycles from dicyano-2-methylenebut-3-enoates","Organic Chemistry Frontiers","2019","6","19","3321","","10.1039/C9QO00509A","","x-ray","1.54184","CuKα","","0.0788","0.0706","","","0.1941","0.2078","","","","","","1.019","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1554940","9.69927","0.00009","10.835","0.00009","16.94975","0.00013","90","","90","","90","","1781.28","0.03","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F3 N O3 -","- C22 H18 F3 N O3 -","- C88 H72 F12 N4 O12 -","4","1","","Rabasa-Alcañiz, Fernando; Hammerl, Daniel; Sánchez-Merino, Anabel; Tejero, Tomás; Merino, Pedro; Fustero, Santos; del Pozo, Carlos","Asymmetric synthesis of polycyclic 3-fluoroalkylproline derivatives by intramolecular azomethine ylide cycloaddition","Organic Chemistry Frontiers","2019","6","16","2916","","10.1039/C9QO00525K","","x-ray","1.54184","CuKα","","0.0275","0.0271","","","0.0688","0.0691","","","","","","1.076","","","","has coordinates","238225","2020-10-21","18:00:00",""
"1554942","15.5529","0.0006","7.3629","0.0003","19.8862","0.0006","90","","90","","90","","2277.26","0.15","170","2","170.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H20 Cu F6 P -","- C26 H20 Cu F6 P -","- C104 H80 Cu4 F24 P4 -","4","0.5","","Liu, He; Shen, Qilong","Bistrifluoromethylated organocuprate [Ph4P]+[Cu(CF3)2]−: synthesis, characterization and its application for trifluoromethylation of activated heteroaryl bromides, chlorides and iodides","Organic Chemistry Frontiers","2019","6","14","2324","","10.1039/C9QO00527G","","","0.71073","MoKα","","0.057","0.0459","","","0.1394","0.15","","","","","","1.057","","","","has coordinates","238227","2020-10-21","18:00:00",""
"1554943","10.5905","0.0002","16.0282","0.0004","11.3851","0.0003","90","","116.637","0.001","90","","1727.47","0.07","135","2","135","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Yakkala, Prasanna Anjaneyulu; Giri, Deepesh; Chaudhary, Bharatkumar; Auti, Prashant; Sharma, Satyasheel","Regioselective C‒H alkylation and alkenylation at the C5 position of 2-amino-1,4-naphthoquinones with maleimides under Rh(iii) catalysis","Organic Chemistry Frontiers","2019","6","14","2441","","10.1039/C9QO00538B","","","0.71073","MoKα","","0.0488","0.0397","","","0.1057","0.1129","","","","","","1.051","","","","has coordinates","238228","2020-10-21","18:00:00",""
"1554945","7.5896","0.0008","10.9767","0.0011","11.9609","0.0013","110.338","0.004","100.049","0.004","106.048","0.004","856.49","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br2 N O2 -","- C17 H15 Br2 N O2 -","- C34 H30 Br4 N2 O4 -","2","1","","Wang, Yu-Chao; Wang, Rui-Xiang; Qiu, Guanyinsheng; Zhou, Hongwei; Xie, Wenlin; Liu, Jin-Biao","ortho-Amide-directed 2,4-dibromohydration of conjugated enynes","Organic Chemistry Frontiers","2019","6","14","2471","","10.1039/C9QO00540D","","","1.34138","GaKα","","0.0566","0.0484","","","0.1295","0.1367","","","","","","1.05","","","","has coordinates","238230","2020-10-21","18:00:00",""
"1554946","7.2536","0.0006","9.2341","0.0009","9.3515","0.001","85.065","0.008","81.059","0.008","68.355","0.008","574.85","0.1","295.25","0.1","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C28 H24 N4 O2 -","2","1","","Su, Han; Bao, Ming; Pei, Chao; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines","Organic Chemistry Frontiers","2019","6","14","2404","","10.1039/C9QO00568D","","","0.71073","MoKα","","0.0923","0.0533","","","0.1358","0.1669","","","","","","1.016","","","","has coordinates","238231","2020-10-21","18:00:00",""
"1554947","9.8811","0.0007","14.4238","0.0007","13.7948","0.0009","90","","109.258","0.007","90","","1856.1","0.2","279","7","279","7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 N3 O -","- C25 H15 N3 O -","- C100 H60 N12 O4 -","4","1","","Su, Han; Bao, Ming; Pei, Chao; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines","Organic Chemistry Frontiers","2019","6","14","2404","","10.1039/C9QO00568D","","x-ray","0.71073","MoKα","","0.0735","0.0468","","","0.1073","0.1255","","","","","","1.0655","","","","has coordinates","238231","2020-10-21","18:00:00",""
"1554949","8.0332","0.0002","8.5272","0.0002","16.9075","0.0004","99.329","0.002","99.436","0.002","101.204","0.002","1097.99","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F2 N O3 S -","- C25 H23 F2 N O3 S -","- C50 H46 F4 N2 O6 S2 -","2","1","","Hu, Xiao-Si; Ding, Pei-Gang; Yu, Jin-Sheng; Zhou, Jian","A Sc(OTf)3 catalyzed Mukaiyama‒Mannich reaction of difluoroenoxysilanes with unactivated ketimines","Organic Chemistry Frontiers","2019","6","14","2500","","10.1039/C9QO00577C","","x-ray","1.54184","CuKα","","0.0419","0.0391","","","0.106","0.108","","","","","","1.073","","","","has coordinates","238233","2020-10-21","18:00:00",""
"1554951","23.8323","0.0016","5.5909","0.0004","15.658","0.0011","90","","103.617","0.007","90","","2027.7","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 O2 S2 -","- C24 H24 O2 S2 -","- C96 H96 O8 S8 -","4","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71075","MoKα","","0.0959","0.0709","","","0.1475","0.1599","","","","","","1.022","","","","has coordinates,has disorder","238235","2020-10-21","18:00:00",""
"1554952","6.07714","0.00018","13.1618","0.0003","27.1117","0.0008","90","","90","","90","","2168.56","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C100 H100 N4 O8 S4 -","4","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0467","0.0402","","","0.0867","0.0895","","","","","","1.03","","","","has coordinates","238235","2020-10-21","18:00:00",""
"1554953","13.9336","0.0007","19.7182","0.0009","20.3209","0.0011","90","","103.298","0.005","90","","5433.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30.52 O4.26 S -","- C32 H30.516 O4.258 S -","- C256 H244.128 O34.064 S8 -","8","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.1375","0.0847","","","0.207","0.2401","","","","","","1.025","","","","has coordinates,has disorder","238235","2020-10-21","18:00:00",""
"1554954","28.3482","0.0011","19.5347","0.0007","7.5873","0.0003","90","","90","","90","","4201.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Fe O2 S -","- C27 H24 Fe O2 S -","- C216 H192 Fe8 O16 S8 -","8","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0768","0.0497","","","0.0928","0.1026","","","","","","1.046","","","","has coordinates","238235","2020-10-21","18:00:00",""
"1554957","10.1603","0.0005","10.173","0.0004","23.5179","0.001","90","","90","","90","","2430.83","0.18","100","2","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N O5 S -","- C27 H22 Cl N O5 S -","- C108 H88 Cl4 N4 O20 S4 -","4","1","","Lin, Wei; Lin, Xiao; Cheng, Yuyu; Chang, Xiaoyong; Zhou, San; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes","Organic Chemistry Frontiers","2019","6","14","2452","","10.1039/C9QO00597H","","x-ray","0.71073","MoKα","","0.03","0.0274","","","0.0661","0.0674","","","","","","1.041","","","","has coordinates","238238","2020-10-21","18:00:00",""
"1554958","10.0757","0.0011","10.4448","0.0009","10.8094","0.0012","90","","92.786","0.003","90","","1136.2","0.2","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Lin, Wei; Lin, Xiao; Cheng, Yuyu; Chang, Xiaoyong; Zhou, San; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes","Organic Chemistry Frontiers","2019","6","14","2452","","10.1039/C9QO00597H","","x-ray","0.71073","MoKα","","0.0293","0.028","","","0.0705","0.0714","","","","","","1.031","","","","has coordinates","238238","2020-10-21","18:00:00",""
"1554961","9.8296","0.0013","13.4413","0.0017","22.608","0.003","90","","94.433","0.003","90","","2978.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.1107","0.0682","","","0.1582","0.1781","","","","","","1.042","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554962","5.8832","0.0002","8.7875","0.0002","37.5443","0.0011","90","","90","","90","","1940.99","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 S -","- C20 H27 N O2 S -","- C80 H108 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.052","0.0415","","","0.1086","0.1175","","","","","","1.024","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554963","8.87","0.0016","10.6671","0.0018","21.508","0.004","90","","90","","90","","2035","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 S -","- C22 H29 N O2 S -","- C88 H116 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0781","0.0496","","","0.1022","0.1128","","","","","","0.959","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554964","35.164","0.003","8.6573","0.0006","11.5114","0.0009","90","","94.241","0.002","90","","3494.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C152 H184 N8 O16 S8 -","8","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0964","0.0583","","","0.1308","0.1549","","","","","","1.054","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554965","19.505","0.003","8.6857","0.0013","13.1687","0.0016","90","","92.309","0.004","90","","2229.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O2 S -","- C23 H33 N O2 S -","- C92 H132 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.1115","0.0661","","","0.1559","0.1912","","","","","","1.046","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554966","10.888","0.003","8.651","0.002","10.91","0.003","90","","97.5","0.005","90","","1018.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H26 Br N O2 S -","- C21 H26 Br N O2 S -","- C42 H52 Br2 N2 O4 S2 -","2","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0658","0.0461","","","0.1074","0.1167","","","","","","1.029","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554967","12.551","0.003","11.012","0.002","14.276","0.003","90","","113.904","0.005","90","","1803.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br N O2 S -","- C18 H22 Br N O2 S -","- C72 H88 Br4 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.1743","0.0841","","","0.1987","0.2575","","","","","","1.048","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554970","10.013","0.005","12.073","0.006","12.827","0.006","111.893","0.015","107.027","0.017","93.776","0.019","1348.7","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 Cl -","- C17 H14 Cl -","- C68 H56 Cl4 -","4","2","","Fan, Xing; Liu, Ruixing; Wei, Yin; Shi, Min","Rh-Catalyzed intramolecular decarbonylative cyclization of ortho-formyl group tethered alkylidenecyclopropanes (ACPs) for the construction of 2-methylindenes","Organic Chemistry Frontiers","2019","6","15","2667","","10.1039/C9QO00614A","","","0.71073","MoKα","","0.1127","0.0594","","","0.1447","0.1823","","","","","","1.036","","","","has coordinates","238244","2020-10-21","18:00:00",""
"1554972","14.5964","0.0005","13.9382","0.0005","14.6669","0.0005","90","","90","","90","","2983.94","0.18","194","2","194","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Hu, Xiaoping; Wang, Gaonan; Qin, Chunxiang; Xie, Xin; Zhang, Chunli; Xu, Wei; Liu, Yuanhong","Ligandless nickel-catalyzed transfer hydrogenation of alkenes and alkynes using water as the hydrogen donor","Organic Chemistry Frontiers","2019","6","15","2619","","10.1039/C9QO00616H","","","0.71073","MoKα","","0.0422","0.0359","","","0.088","0.0931","","","","","","1.034","","","","has coordinates","238246","2020-10-21","18:00:00",""
"1554974","14.929","0.0003","5.74297","0.00008","27.7627","0.0005","90","","104.785","0.0018","90","","2301.48","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","aminopyrimidine.toluene","","","- C30 H27 N3 -","- C30 H27 N3 -","- C120 H108 N12 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0428","0.0395","","","0.1034","0.1066","","","","","","1.069","","","","has coordinates","238248","2020-10-21","18:00:00",""
"1554975","15.534","0.0013","6.291","0.0003","15.0837","0.001","90","","113.849","0.009","90","","1348.18","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","0.71073","MoKα","","0.0533","0.0451","","","0.1086","0.1147","","","","","","1.057","","","","has coordinates","238248","2020-10-21","18:00:00",""
"1554976","12.9687","0.0003","13.0705","0.0003","7.18","0.0002","90","","90","","90","","1217.06","0.05","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0291","0.0286","","","0.0755","0.0758","","","","","","1.075","","","","has coordinates","238248","2020-10-21","18:00:00",""
"1554977","8.8058","0.0008","10.1568","0.0009","10.8636","0.001","112.118","0.009","90.659","0.008","106.96","0.008","852.87","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C44 H34 N6 -","2","1","","Zhu, Yingzu; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang","Utilization of nitriles as the nitrogen source: practical and economical construction of 4-aminopyrimidine and β-enaminonitrile skeletons","Organic Chemistry Frontiers","2019","6","17","3071","","10.1039/C9QO00619B","","","1.54184","CuKα","","0.0765","0.0533","","","0.1464","0.1545","","","","","","1.178","","","","has coordinates","238248","2020-10-21","18:00:00",""
"1554979","14.1655","0.0013","22.469","0.002","16.419","0.0015","90","","98.419","0.001","90","","5169.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 F2 O5 -","- C30 H24 F2 O5 -","- C240 H192 F16 O40 -","8","2","","Liu, Baohua; Mao, Chunyan; Hu, Qiong; Yao, Liangliang; Hu, Yimin","Direct methylation and carbonylation of in situ generated arynes via HDDA-Wittig coupling","Organic Chemistry Frontiers","2019","6","15","2788","","10.1039/C9QO00621D","","","0.71073","MoKα","","0.1689","0.1089","","","0.3402","0.3959","","","","","","1.349","","","","has coordinates","238250","2020-10-21","18:00:00",""
"1554980","9.9135","0.0004","11.2232","0.0004","13.3885","0.0005","94.007","0.002","107.02","0.001","109.916","0.001","1315.15","0.09","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 F O3 -","- C15 H12 F O3 -","- C60 H48 F4 O12 -","4","2","","Liu, Baohua; Mao, Chunyan; Hu, Qiong; Yao, Liangliang; Hu, Yimin","Direct methylation and carbonylation of in situ generated arynes via HDDA-Wittig coupling","Organic Chemistry Frontiers","2019","6","15","2788","","10.1039/C9QO00621D","","","0.71073","MoKα","","0.084","0.0692","","","0.2028","0.2261","","","","","","0.987","","","","has coordinates,has disorder","238250","2020-10-21","18:00:00",""
"1554983","17.251","0.002","12.1706","0.0017","26.112","0.004","90","","91.879","0.003","90","","5479.4","1.3","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 B11 Cl6 O -","- C19 H19 B11 Cl6 O -","- C152 H152 B88 Cl48 O8 -","8","2","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0697","0.0467","","","0.0989","0.1119","","","","","","1.083","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554984","19.0146","0.0006","13.8372","0.0003","21.2518","0.0005","90","","90","","90","","5591.5","0.3","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B11 Cl6 O -","- C20 H21 B11 Cl6 O -","- C160 H168 B88 Cl48 O8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","x-ray","0.71073","MoKα","","0.0452","0.0392","","","0.1062","0.1098","","","","","","1.043","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554985","18.70332","0.00019","18.4574","0.0003","18.4002","0.00017","90","","90","","90","","6352.02","0.14","160","2","160.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H22 B11 Cl6 N -","- C25 H22 B11 Cl6 N -","- C200 H176 B88 Cl48 N8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0396","0.0307","","","0.0779","0.0833","","","","","","1.024","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554986","18.015","0.0002","14.8013","0.0002","23.3476","0.0002","90","","90","","90","","6225.53","0.12","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H22 B11 Cl6 N -","- C25 H22 B11 Cl6 N -","- C200 H176 B88 Cl48 N8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.0534","0.0396","","","0.0966","0.1059","","","","","","1.024","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554987","31.445","0.002","13.6072","0.0008","32.634","0.002","90","","116.666","0.001","90","","12478.2","1.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 B11 Cl6 N -","- C25 H24 B11 Cl6 N -","- C400 H384 B176 Cl96 N16 -","16","4","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","","0.71073","MoKα","","0.1074","0.0711","","","0.1348","0.1534","","","","","","1.179","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1554989","9.943","","19.423","","27.408","","90","","94.84","","90","","5274.24","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O4 S2 -","- C27 H24 N4 O4 S2 -","- C216 H192 N32 O32 S16 -","8","2","","Wang, Lihong; Wang, Xiaomin; Zhang, Ge; Yang, Shengbiao; Li, Yan; Zhang, Qian","Copper-catalyzed 1,3-aminoazidation of arylcyclopropanes: a facile access to 1,3-diamine derivatives","Organic Chemistry Frontiers","2019","6","16","2934","","10.1039/C9QO00638A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1647","0.2051","","","","","","0.819","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1554991","9.4606","0.0016","8.7844","0.0015","13.698","0.002","90","","91.45","0.004","90","","1138","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","0.71073","MoKα","","0.0639","0.0434","","","0.1065","0.1177","","","","","","1.031","","","","has coordinates","238257","2020-10-21","18:00:00",""
"1554992","5.2776","0.0001","10.8907","0.0002","22.1326","0.0004","90","","90","","90","","1272.11","0.04","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","1.34139","GaKα","","0.0331","0.0327","","","0.0874","0.0878","","","","","","1.066","","","","has coordinates","238257","2020-10-21","18:00:00",""
"1554993","11.0859","0.0016","9.2256","0.0013","12.6525","0.0018","90","","101.245","0.003","90","","1269.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","0.71073","MoKα","","0.0519","0.0416","","","0.1097","0.1174","","","","","","1.049","","","","has coordinates","238257","2020-10-21","18:00:00",""
"1554995","9.2832","0.0007","10.0044","0.0007","11.107","0.0009","87.027","0.006","65.546","0.008","82.335","0.006","930.61","0.14","173","13","173","13","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cl N O2 -","- C23 H18 Cl N O2 -","- C46 H36 Cl2 N2 O4 -","2","1","","Yao, Yongqi; Yang, Wen; Lin, Qifu; Yang, Weitao; Li, Huanyong; Wang, Lin; Gu, Fenglong; Yang, Dingqiao","1,3-Dipolar cycloaddition of nitrones to oxa(aza)bicyclic alkenes","Organic Chemistry Frontiers","2019","6","19","3360","","10.1039/C9QO00660E","","x-ray","0.71073","MoKα","","0.0775","0.0584","","","0.1265","0.1381","","","","","","1.038","","","","has coordinates","238259","2020-10-21","18:00:00",""
"1554997","6.0211","0.0002","16.1241","0.0005","20.634","0.0005","90","","90","","90","","2003.25","0.1","127","2","127","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N4 O4 S -","- C21 H18 N4 O4 S -","- C84 H72 N16 O16 S4 -","4","1","","Li, Shi-Wu; Du, Yu; Kang, Qiang","A chiral-at-metal asymmetric catalyzed vinylogous Michael addition of ortho-methyl aromatic nitro compounds for isoxazole derivative synthesis","Organic Chemistry Frontiers","2019","6","15","2775","","10.1039/C9QO00676A","","","1.54184","CuKα","","0.104","0.0916","","","0.2275","0.2394","","","","","","1.064","","","","has coordinates","238261","2020-10-21","18:00:00",""
"1554999","10.438","0.005","10.7","0.005","15.172","0.007","80.197","0.009","70.129","0.009","79.638","0.009","1556.7","1.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 O6 -","- C40 H32 O6 -","- C80 H64 O12 -","2","1","","Wang, Wenli; Tang, Yingzhan; Liu, Yongxiang; Yuan, Lei; Wang, Jian; Lin, Bin; Zhou, Di; Sun, Lu; Huang, Renbin; Chen, Gang; Li, Ning","Isolation, structure elucidation, and synthesis of (±)-millpuline A with a suppressive effect in miR-144 expression","Organic Chemistry Frontiers","2019","6","16","2850","","10.1039/C9QO00678H","","","0.71073","MoKα","","0.1055","0.0518","","","0.1228","0.1488","","","","","","1.011","","","","has coordinates","238263","2020-10-21","18:00:00",""
"1555001","19.861","0.008","13.383","0.005","18.29","0.007","90","","117.363","0.011","90","","4318","3","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N4 Ni O2 -","- C44 H40 N4 Ni O2 -","- C176 H160 N16 Ni4 O8 -","4","1","","Ren, Demin; Fu, Xinliang; Li, Xiaofang; Koniarz, Sebastian; Chmielewski, Piotr J.","Reaction of antiaromatic porphyrinoid with active methylene compounds","Organic Chemistry Frontiers","2019","6","16","2924","","10.1039/C9QO00679F","","","0.71073","MoKα","","0.1009","0.0543","","","0.1273","0.1625","","","","","","1.046","","","","has coordinates","238266","2020-10-21","18:00:00",""
"1555002","14.1112","0.001","4.6513","0.0003","21.124","0.0014","90","","99.827","0.002","90","","1366.14","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Mei, Xiangui; Lan, Mengmeng; Cui, Guodong; Zhang, Hongwei; Zhu, Weiming","Caerulomycins from Actinoalloteichus cyanogriseus WH1-2216-6: isolation, identification and cytotoxicity","Organic Chemistry Frontiers","2019","6","20","3566","","10.1039/C9QO00685K","","","1.54178","CuKα","","0.0757","0.0542","","","0.1284","0.1494","","","","","","1.033","","","","has coordinates","276350","2022-06-28","16:36:21",""
"1555009","15.8263","0.0007","7.7607","0.0003","15.9189","0.0008","90","","106.393","0.002","90","","1875.73","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O S -","- C24 H20 O S -","- C96 H80 O4 S4 -","4","1","","Liu, Changqing; Wang, Bo; Guo, Ziyi; Zhang, Jitan; Xie, Meihua","Metal-free cascade rearrangement/radical addition/oxidative C‒H annulation of propargyl alcohols with sodium sulfinates: access to 2-sulfenylindenones","Organic Chemistry Frontiers","2019","6","15","2796","","10.1039/C9QO00688E","","","0.71073","MoKα","","0.1035","0.0665","","","0.1751","0.2046","","","","","","1.031","","","","has coordinates","238269","2020-10-21","18:00:00",""
"1555010","7.3464","0.0002","8.5371","0.0003","15.0907","0.0005","95.337","0.001","91.518","0.001","104.361","0.001","911.69","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cl F O S -","- C22 H14 Cl F O S -","- C44 H28 Cl2 F2 O2 S2 -","2","1","","Liu, Changqing; Wang, Bo; Guo, Ziyi; Zhang, Jitan; Xie, Meihua","Metal-free cascade rearrangement/radical addition/oxidative C‒H annulation of propargyl alcohols with sodium sulfinates: access to 2-sulfenylindenones","Organic Chemistry Frontiers","2019","6","15","2796","","10.1039/C9QO00688E","","","0.71073","MoKα","","0.0517","0.0415","","","0.1053","0.1133","","","","","","1.037","","","","has coordinates","238269","2020-10-21","18:00:00",""
"1555013","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","238272","2020-10-21","18:00:00",""
"1555014","12.6219","0.0011","16.3765","0.0013","16.6547","0.0014","90","","100.607","0.004","90","","3383.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N2 O6 -","- C38 H32 N2 O6 -","- C152 H128 N8 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","1.54178","CuKα","","0.114","0.0825","","","0.1806","0.2071","","","","","","1.132","","","","has coordinates,has disorder","238272","2020-10-21","18:00:00",""
"1555015","4.6619","0.0004","23.4349","0.0019","12.2946","0.0013","90","","97.466","0.006","90","","1331.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","1.54178","CuKα","","0.0936","0.0531","","","0.1186","0.1434","","","","","","1.036","","","","has coordinates","238272","2020-10-21","18:00:00",""
"1555016","12.8844","0.0013","13.9073","0.0013","20.6328","0.0019","98.862","0.007","106.525","0.007","94.899","0.007","3469.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","- C152 H128 N8 O24 Zn -","1","0.5","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","0.71075","MoKα","","0.1869","0.138","","","0.384","0.42","","","","","","1.446","","","","has coordinates","238272","2020-10-21","18:00:00",""
"1555017","12.8709","0.0004","15.6947","0.0004","16.5272","0.0005","90","","92.507","0.002","90","","3335.38","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N4 O6 -","- C36 H30 N4 O6 -","- C144 H120 N16 O24 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","1.54178","CuKα","","0.1505","0.0713","","","0.1979","0.2596","","","","","","0.997","","","","has coordinates","238272","2020-10-21","18:00:00",""
"1555020","42.263","0.003","7.4986","0.0007","12.0012","0.001","90","","93.813","0.003","90","","3794.9","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6,15,16-Tetrahydro-5,16-epoxyhexacene","","- C26 H18 O -","- C26 H18 O -","- C208 H144 O8 -","8","1","","Han, Jian; Liu, Xinbang; Li, Yu; Lou, Zihao; Yi, Mingdong; Kong, Huihui; Luo, Jun","New synthetic approaches for hexacene and its application in thin-film transistors","Organic Chemistry Frontiers","2019","6","16","2839","","10.1039/C9QO00708C","","","0.71073","MoKα","","0.0784","0.058","","","0.1579","0.1726","","","","","","1.022","","","","has coordinates","238274","2020-10-21","18:00:00",""
"1555023","11.0804","0.0003","12.2799","0.0005","13.6018","0.0004","75.764","0.003","84.604","0.003","89.194","0.003","1785.88","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","2","","Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie","One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes","Organic Chemistry Frontiers","2019","6","16","2897","","10.1039/C9QO00710E","","x-ray","0.71073","MoKα","","0.0668","0.0441","","","0.0931","0.1062","","","","","","1.032","","","","has coordinates","238276","2020-10-21","18:00:00",""
"1555024","8.5534","0.0008","5.4976","0.0002","37.5979","0.0018","90","","93.982","0.006","90","","1763.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie","One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes","Organic Chemistry Frontiers","2019","6","16","2897","","10.1039/C9QO00710E","","x-ray","1.54184","CuKα","","0.0824","0.0571","","","0.1361","0.1614","","","","","","1.016","","","","has coordinates","238276","2020-10-21","18:00:00",""
"1555025","6.4787","0.0005","10.7989","0.0007","16.2052","0.0006","79.201","0.004","85.566","0.005","73.057","0.007","1065.03","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F3 N O2 -","- C26 H18 F3 N O2 -","- C52 H36 F6 N2 O4 -","2","1","","Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie","One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes","Organic Chemistry Frontiers","2019","6","16","2897","","10.1039/C9QO00710E","","x-ray","1.54184","CuKα","","0.1246","0.0857","","","0.2528","0.2922","","","","","","1.06","","","","has coordinates,has disorder","238276","2020-10-21","18:00:00",""
"1555027","10.465","0.002","9.797","0.002","22.032","0.005","90","","95.834","0.003","90","","2247.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O3 S -","- C28 H22 O3 S -","- C112 H88 O12 S4 -","4","1","","Yang, Tao; Kou, Peihao; Jin, Fengyan; Song, Xian-Rong; Bai, Jiang; Ding, Haixin; Xiao, Qiang; Liang, Yong-Min","TFA-promoted sulfonation/cascade cyclization of 2-propynolphenols with sodium sulfinates to 4-sulfonyl 2H-chromenes under metal-free conditions","Organic Chemistry Frontiers","2019","6","17","3162","","10.1039/C9QO00712A","","","0.71073","MoKα","","0.0562","0.0448","","","0.1104","0.1194","","","","","","1.093","","","","has coordinates","238278","2020-10-21","18:00:00",""
"1555029","5.9669","0.0002","11.4767","0.0003","21.9463","0.0007","90","","96.78","0.001","90","","1492.38","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Zhu, Cheng-Zhi; Wei, Yin; Shi, Min","Rhodium(ii)-catalyzed divergent intramolecular tandem cyclization of N- or O-tethered cyclohexa-2,5-dienones with 1-sulfonyl-1,2,3-triazole: synthesis of cyclopropa[cd]indole and benzofuran derivatives","Organic Chemistry Frontiers","2019","6","16","2884","","10.1039/C9QO00714H","","","0.71073","MoKα","","0.0367","0.0331","","","0.086","0.0891","","","","","","1.062","","","","has coordinates","238280","2020-10-21","18:00:00",""
"1555030","7.1629","0.0002","10.9804","0.0004","12.5285","0.0004","102.431","0.001","97.658","0.001","98.768","0.001","936.85","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Br N O4 S -","- C21 H16 Br N O4 S -","- C42 H32 Br2 N2 O8 S2 -","2","1","","Zhu, Cheng-Zhi; Wei, Yin; Shi, Min","Rhodium(ii)-catalyzed divergent intramolecular tandem cyclization of N- or O-tethered cyclohexa-2,5-dienones with 1-sulfonyl-1,2,3-triazole: synthesis of cyclopropa[cd]indole and benzofuran derivatives","Organic Chemistry Frontiers","2019","6","16","2884","","10.1039/C9QO00714H","","","0.71073","MoKα","","0.0411","0.0368","","","0.1009","0.1042","","","","","","1.055","","","","has coordinates","238280","2020-10-21","18:00:00",""
"1555032","9.0601","0.0008","9.927","0.0009","13.5869","0.0012","82.759","0.002","78.19","0.001","83.39","0.002","1181.56","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O4 S -","- C27 H20 N2 O4 S -","- C54 H40 N4 O8 S2 -","2","1","","Zhang, Tian-Shu; Wang, Rong; Cai, Pei-Jun; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Silver-catalyzed nitration/annulation of 2-alkynylanilines for a tunable synthesis of nitrated indoles and indazole-2-oxides","Organic Chemistry Frontiers","2019","6","16","2968","","10.1039/C9QO00715F","","","0.71073","MoKα","","0.1066","0.0529","","","0.1289","0.1465","","","","","","1.056","","","","has coordinates","238282","2020-10-21","18:00:00",""
"1555033","12.7222","0.0013","31.291","0.003","7.7018","0.0007","90","","104.211","0.003","90","","2972.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.25 H25.5 Cl0.5 N3 O6 S2 -","- C29.25 H25.5 Cl0.5 N3 O6 S2 -","- C117 H102 Cl2 N12 O24 S8 -","4","1","","Zhang, Tian-Shu; Wang, Rong; Cai, Pei-Jun; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Silver-catalyzed nitration/annulation of 2-alkynylanilines for a tunable synthesis of nitrated indoles and indazole-2-oxides","Organic Chemistry Frontiers","2019","6","16","2968","","10.1039/C9QO00715F","","","0.71073","MoKα","","0.1485","0.0679","","","0.1797","0.2115","","","","","","1.034","","","","has coordinates,has disorder","238282","2020-10-21","18:00:00",""
"1555035","17.9223","0.0005","20.5932","0.0006","21.0729","0.0007","90","","100.834","0.003","90","","7638.9","0.4","151","2","151","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H73 Cl10 N3 Pd -","- C88 H73 Cl10 N3 Pd -","- C352 H292 Cl40 N12 Pd4 -","4","0.5","","Zhang, Fei-Yi; Lan, Xiao-Bing; Xu, Chang; Yao, Hua-Gang; Li, Tian; Liu, Feng-Shou","Rigid hindered N-heterocyclic carbene palladium precatalysts: synthesis, characterization and catalytic amination","Organic Chemistry Frontiers","2019","6","18","3292","","10.1039/C9QO00726A","","","1.54184","CuKα","","0.0821","0.075","","","0.2099","0.2229","","","","","","1.089","","","","has coordinates,has disorder","238284","2020-10-21","18:00:00",""
"1555036","17.6466","0.0004","20.7167","0.0005","20.3473","0.0008","90","","95.896","0.003","90","","7399.2","0.4","281.05","0.1","281.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H65 Cl2 N3 O2 Pd -","- C84 H65 Cl2 N3 O2 Pd -","- C336 H260 Cl8 N12 O8 Pd4 -","4","0.5","","Zhang, Fei-Yi; Lan, Xiao-Bing; Xu, Chang; Yao, Hua-Gang; Li, Tian; Liu, Feng-Shou","Rigid hindered N-heterocyclic carbene palladium precatalysts: synthesis, characterization and catalytic amination","Organic Chemistry Frontiers","2019","6","18","3292","","10.1039/C9QO00726A","","","1.54178","CuKα","","0.0542","0.0384","","","0.0838","0.0909","","","","","","0.995","","","","has coordinates","238284","2020-10-21","18:00:00",""
"1555038","8.3117","0.0002","17.2043","0.0004","8.3018","0.0002","90","","103.231","0.001","90","","1155.62","0.05","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C36 H52 N20 O16 -","4","1","","Guo, Xiaowei; Wang, Jidong; Su, Can; Liu, Chongxi; Ma, Xiao-Yan; Yu, Zhiyin; Li, Jiansong; Wang, Xiangjing; Xiang, Wensheng; Huang, Sheng-Xiong","A unique spiro-β-triazinedione-γ-hydantoin type alkaloid with antiviral activity against tobacco mosaic virus from Streptomyces gamaensis","Organic Chemistry Frontiers","2019","6","18","3215","","10.1039/C9QO00742C","","","1.54178","CuKα","","0.0485","0.0477","","","0.1252","0.126","","","","","","0.674","","","","has coordinates","238286","2020-10-21","18:00:00",""
"1555040","9.3448","0.0005","11.2047","0.0008","12.9889","0.0008","106.439","0.006","97.223","0.005","112.631","0.006","1160.92","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O9 S -","- C23 H25 N O9 S -","- C46 H50 N2 O18 S2 -","2","1","","Xing, Siyang; Xia, Hanyu; Wang, Xin; Wu, Die; Xu, Xinrui; Su, Yunran; Wang, Kui; Zhu, Bolin; Guo, Junshuo","Diastereoselective access to 2-aminoindanones via the rhodium(ii)-catalyzed tandem reaction involving O‒H insertion and Michael addition","Organic Chemistry Frontiers","2019","6","17","3121","","10.1039/C9QO00765B","","x-ray","0.71073","MoKα","","0.0626","0.0482","","","0.114","0.1288","","","","","","1.061","","","","has coordinates","238288","2020-10-21","18:00:00",""
"1555042","9.1302","0.0003","9.1578","0.0005","10.226","0.0004","108.986","0.004","98.417","0.003","114.037","0.004","698.83","0.07","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H38 N O5 -","- C33 H38 N O5 -","- C33 H38 N O5 -","1","1","","Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.","A chiral auxiliary-based synthesis of the C5‒C17 trans-decalin framework of anthracimycin","Organic Chemistry Frontiers","2019","6","16","2954","","10.1039/C9QO00769E","","","1.54184","CuKα","","0.0448","0.0436","","","0.1154","0.1169","","","","","","1.054","","","","has coordinates","238290","2020-10-21","18:00:00",""
"1555043","11.9189","0.0004","6.5987","0.0002","26.7335","0.001","90","","100.124","0.004","90","","2069.83","0.12","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H28 O10 -","- C25 H28 O10 -","- C100 H112 O40 -","4","1","","Pan, Dongyan; Zhang, Xuexia; Zheng, Haizhou; Zheng, Zhihui; Nong, Xuhua; Liang, Xiao; Ma, Xuan; Qi, Shuhua","Novel anthraquinone derivatives as inhibitors of protein tyrosine phosphatases and indoleamine 2,3-dioxygenase 1 from the deep-sea derived fungus Alternaria tenuissima DFFSCS013","Organic Chemistry Frontiers","2019","6","18","3252","","10.1039/C9QO00775J","","x-ray","1.54184","CuKα","","0.0344","0.0329","","","0.0901","0.0909","","","","","","1.0239","","","","has coordinates","238291","2020-10-21","18:00:00",""
"1555046","7.7957","0.0007","10.1827","0.0006","12.7574","0.0008","79.033","0.005","76.634","0.007","77.369","0.006","950.96","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O6 -","- C23 H20 O6 -","- C46 H40 O12 -","2","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","0.71073","MoKα","","0.0829","0.053","","","0.1189","0.1395","","","","","","1.026","","","","has coordinates","238294","2020-10-21","18:00:00",""
"1555047","10.0036","0.0011","15.567","0.0013","8.7599","0.0011","90","","100.953","0.011","90","","1339.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O2 -","- C16 H11 Br O2 -","- C64 H44 Br4 O8 -","4","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","1.54184","CuKα","","0.0661","0.0403","","","0.0957","0.1132","","","","","","1.025","","","","has coordinates","238294","2020-10-21","18:00:00",""
"1555048","25.676","0.002","4.1792","0.0004","24.335","0.003","90","","112.38","0.014","90","","2414.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","0.71073","MoKα","","0.1134","0.0687","","","0.1635","0.2052","","","","","","1.05","","","","has coordinates","238294","2020-10-21","18:00:00",""
"1555049","14.7414","0.0004","8.7416","0.0003","16.409","0.0005","90","","104.242","0.003","90","","2049.53","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","1.54184","CuKα","","0.0794","0.0626","","","0.1809","0.2038","","","","","","1.051","","","","has coordinates","238294","2020-10-21","18:00:00",""
"1555050","14.6483","0.0003","17.4042","0.0004","15.2455","0.0004","90","","94.817","0.002","90","","3872.99","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl O6 -","- C22 H17 Cl O6 -","- C176 H136 Cl8 O48 -","8","2","","Li, Qingrui; Yin, Yunnian; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","A simple approach to indeno-coumarins via visible-light-induced cyclization of aryl alkynoates with diethyl bromomalonate","Organic Chemistry Frontiers","2019","6","18","3238","","10.1039/C9QO00795D","","x-ray","1.54184","CuKα","","0.0746","0.0613","","","0.169","0.1846","","","","","","1.028","","","","has coordinates,has disorder","238294","2020-10-21","18:00:00",""
"1555054","8.8935","0.0001","14.433","0.0001","15.7451","0.0001","90","","92.016","0.001","90","","2019.79","0.03","286","5","286","5","","","","","","","fungus","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0425","0.0413","","","0.1123","0.1134","","","","","","1.083","","","","has coordinates,has disorder","238298","2020-10-21","18:00:00",""
"1555055","9.016","0.0002","9.3778","0.0002","10.636","0.0002","93.717","0.002","90.826","0.002","92.317","0.002","896.52","0.03","100.01","0.1","100.01","0.1","","","","","","","fungus","3","P -1","-P 1","2","","","","- C20 H20 O10 -","- C20 H20 O10 -","- C40 H40 O20 -","2","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0357","0.0326","","","0.0822","0.084","","","","","","1.05","","","","has coordinates","238298","2020-10-21","18:00:00",""
"1555056","8.33914","0.00003","13.29606","0.00005","18.06836","0.00008","90","","90","","90","","2003.38","0.014","100","0.1","100","0.1","","","","","","","fungus","3","P c a 21","P 2c -2ac","29","","","","- C21 H22 O11 -","- C21 H22 O11 -","- C84 H88 O44 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0219","0.0218","","","0.0559","0.0559","","","","","","1.067","","","","has coordinates","238298","2020-10-21","18:00:00",""
"1555057","8.2302","0.0004","14.4554","0.0006","16.2394","0.0007","90","","90","","90","","1932.01","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O11 -","- C21 H22 O11 -","- C84 H88 O44 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","","1.54178","CuKα","","0.04","0.0382","","","0.116","0.1193","","","","","","1.019","","","","has coordinates","238298","2020-10-21","18:00:00",""
"1555058","8.26703","0.00005","13.79202","0.00008","17.73644","0.0001","90","","102.392","0.0006","90","","1975.18","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O9 -","- C22 H23 N O9 -","- C88 H92 N4 O36 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","x-ray","1.54184","CuKα","","0.0351","0.0331","","","0.0899","0.0913","","","","","","1.065","","","","has coordinates","238298","2020-10-21","18:00:00",""
"1555062","10.7304","0.0004","18.6098","0.0005","9.9301","0.0004","90","","115.595","0.004","90","","1788.36","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F3 -","- C23 H19 F3 -","- C92 H76 F12 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0447","0.0395","","","0.1059","0.1107","","","","","","1.041","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555063","9.28774","0.00013","13.98378","0.00018","16.25245","0.00018","94.589","0.001","106.279","0.0011","98.2135","0.0011","1989.34","0.05","100","5","100","5","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F3 O2 -","- C24 H21 F3 O2 -","- C96 H84 F12 O8 -","4","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0393","0.0384","","","0.0955","0.0962","","","","","","1.034","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555064","8.7646","0.0001","10.6788","0.0002","20.8962","0.0003","90","","94.821","0.001","90","","1948.87","0.05","100","3","100","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 O2 -","- C24 H20 F4 O2 -","- C96 H80 F16 O8 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0406","0.0367","","","0.0976","0.101","","","","","","1.077","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555065","9.7671","0.0005","10.3099","0.0004","19.8876","0.0007","92.41","0.003","96.248","0.004","107.45","0.004","1893.23","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C96 H84 F12 -","4","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0722","0.0529","","","0.1186","0.1314","","","","","","1.028","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555066","8.8501","0.0009","10.1181","0.0012","11.7209","0.001","98.214","0.009","105.322","0.009","103.258","0.009","961.85","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F3 O2 -","- C24 H21 F3 O2 -","- C48 H42 F6 O4 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.1198","0.0868","","","0.2319","0.2604","","","","","","1.028","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555067","9.9918","0.0002","10.2089","0.0002","10.5751","0.0002","91.174","0.002","116.274","0.002","107.926","0.002","904.65","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 F3 O -","- C23 H19 F3 O -","- C46 H38 F6 O2 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0344","0.033","","","0.0884","0.0897","","","","","","1.058","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555068","8.9463","0.0003","10.2875","0.0003","11.0964","0.0003","70.184","0.002","86.437","0.002","76.947","0.002","935.84","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C48 H42 F6 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0536","0.0464","","","0.1316","0.1375","","","","","","1.072","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555069","9.0216","0.0004","9.9831","0.0004","11.9107","0.0005","77.527","0.004","82.086","0.004","74.544","0.004","1005.86","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl F3 O2 -","- C24 H20 Cl F3 O2 -","- C48 H40 Cl2 F6 O4 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0419","0.0388","","","0.0981","0.1008","","","","","","1.052","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555070","10.5544","0.0004","15.4584","0.0006","12.2743","0.0004","90","","102.702","0.004","90","","1953.59","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F3 -","- C25 H23 F3 -","- C100 H92 F12 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0489","0.0398","","","0.0928","0.0984","","","","","","1.032","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555071","11.6641","0.0003","9.1396","0.0002","17.3076","0.0004","90","","95.883","0.002","90","","1835.36","0.08","100","3","100","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C96 H84 F12 -","4","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0429","0.0377","","","0.1012","0.1051","","","","","","1.055","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555072","9.02917","0.0002","9.25385","0.00019","11.1048","0.0002","87.5911","0.0016","80.5904","0.0018","78.3143","0.0018","896.36","0.03","100","3","100","3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 Br F3 -","- C22 H16 Br F3 -","- C44 H32 Br2 F6 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0267","0.0247","","","0.0604","0.0615","","","","","","1.058","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555073","9.2224","0.0005","10.2968","0.0005","11.9735","0.0005","74.791","0.004","80.463","0.004","72.449","0.005","1041.48","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl2 F3 O2 -","- C24 H19 Cl2 F3 O2 -","- C48 H38 Cl4 F6 O4 -","2","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.055","0.0484","","","0.1495","0.1574","","","","","","1.059","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555074","21.8668","0.0005","10.36934","0.00016","18.0539","0.0004","90","","113.947","0.003","90","","3741.25","0.16","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C22 H15 Cl2 F3 -","- C22 H15 Cl2 F3 -","- C176 H120 Cl16 F24 -","8","1","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","","0.71073","MoKα","","0.0502","0.0428","","","0.102","0.1068","","","","","","1.03","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555075","10.1714","0.0003","36.8462","0.001","10.1929","0.0003","90","","103.732","0.003","90","","3710.88","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F3 -","- C24 H21 F3 -","- C192 H168 F24 -","8","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0618","0.0545","","","0.1489","0.1543","","","","","","1.033","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555076","11.5733","0.0002","18.729","0.0004","19.4741","0.0004","90","","105.635","0.002","90","","4064.94","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F3 O2 -","- C25 H23 F3 O2 -","- C200 H184 F24 O16 -","8","2","","Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes","Organic Chemistry Frontiers","2019","6","18","3264","","10.1039/C9QO00822E","","x-ray","1.54184","CuKα","","0.0398","0.0354","","","0.0901","0.0928","","","","","","1.052","","","","has coordinates","238302","2020-10-21","18:00:00",""
"1555079","14.099","0.002","5.2916","0.0009","9.1495","0.0016","90","","101.496","0.007","90","","668.92","0.19","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","He, Guangke; Li, Yuan; Yu, Zilun; Chen, Zhaoqiang; Tang, Yongming; Song, Guangliang; Loh, Teck-Peng","Selectfluor™-catalyzed oxidative cyclization of ynamides enables facile synthesis of oxazolidine-2,4-diones","Organic Chemistry Frontiers","2019","6","21","3644","","10.1039/C9QO00845D","","","0.71073","MoKα","","0.0506","0.041","","","0.1183","0.1268","","","","","","1.067","","","","has coordinates,has disorder","238305","2020-10-21","18:00:00",""
"1555081","4.12","0.0005","14.2279","0.0012","26.763","0.002","90","","94.268","0.008","90","","1564.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 I N3 S -","- C17 H12 I N3 S -","- C68 H48 I4 N12 S4 -","4","1","","Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling","Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals","Organic Chemistry Frontiers","2019","6","19","3355","","10.1039/C9QO00847K","","","0.71073","MoKα","","0.0518","0.0463","","","0.0962","0.0989","","","","","","1.124","","","","has coordinates","238307","2020-10-21","18:00:00",""
"1555082","10.1327","0.001","12.0719","0.0014","28.967","0.003","90","","90","","90","","3543.3","0.7","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9.5 H8.5 N0.5 O0.5 S -","- C9.5 H8.5 N0.5 O0.5 S -","- C152 H136 N8 O8 S16 -","16","2","","Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling","Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals","Organic Chemistry Frontiers","2019","6","19","3355","","10.1039/C9QO00847K","","x-ray","0.71073","MoKα","","0.1198","0.0634","","","0.1463","0.1848","","","","","","0.8505","","","","has coordinates","238307","2020-10-21","18:00:00",""
"1555084","6.1329","0.0008","40.065","0.005","10.6098","0.0015","90","","103.811","0.004","90","","2531.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F9 N O4 -","- C26 H16 F9 N O4 -","- C104 H64 F36 N4 O16 -","4","1","","He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng","Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers","Organic Chemistry Frontiers","2019","6","20","3575","","10.1039/C9QO00848A","","","0.71073","MoKα","","0.195","0.0971","","","0.2449","0.304","","","","","","1.026","","","","has coordinates","238309","2020-10-21","18:00:00",""
"1555085","11.543","0.005","10.4","0.002","32.618","0.006","90","","90","","90","","3916","2","300","2","300.09","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C3.38 H1.96 Cl0.18 F1.6 N0 O0.18 -","- C3.37778 H1.77778 Cl0.177778 F1.6 O0.177778 -","- C152 H80 Cl8 F72 O8 -","45","11.25","","He, Wei; Yu, Jipan; Wang, Dawei; Ran, Guoxia; Xia, Xiao-Feng","Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers","Organic Chemistry Frontiers","2019","6","20","3575","","10.1039/C9QO00848A","","","1.54178","CuKα","","0.0854","0.0712","","","0.2132","0.2395","","","","","","1.065","","","","has coordinates","238309","2020-10-21","18:00:00",""
"1555087","7.1385","0.0009","7.5039","0.001","19.126","0.003","90","","90","","90","","1024.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H1.8 F0.6 N0.4 O0.2 -","- C2 H1.8 F0.6 N0.4 O0.2 -","- C40 H36 F12 N8 O4 -","20","5","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","An enantioselective aza-Henry reaction of trifluoromethyl ketimines catalyzed by phase-transfer catalysts","Organic Chemistry Frontiers","2019","6","18","3269","","10.1039/C9QO00850K","","","0.71073","MoKα","","0.0883","0.0458","","","0.0892","0.1034","","","","","","0.933","","","","has coordinates","238311","2020-10-21","18:00:00",""
"1555088","7.2179","0.001","17.509","0.002","18.867","0.003","90","","100.172","0.008","90","","2346.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","1","","Yu, Yang; Zhang, Yan; Wang, Zhuo; Liang, Yong-Xin; Zhao, Yu-Long","A rhodium-catalyzed three-component reaction of arylisocyanides, trifluorodiazoethane, and activated methylene isocyanides or azomethine ylides: an efficient synthesis of trifluoroethyl-substituted imidazoles","Organic Chemistry Frontiers","2019","6","21","3657","","10.1039/C9QO00856J","","","1.54178","CuKα","","0.0619","0.042","","","0.0952","0.1026","","","","","","1.091","","","","has coordinates","238312","2020-10-21","18:00:00",""
"1555092","10.1647","0.0009","17.2468","0.0015","20.8692","0.0018","90","","101.136","0.002","90","","3589.7","0.5","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 O8 -","- C46 H40 O8 -","- C184 H160 O32 -","4","1","","Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan","Constructing bridged multifunctional calixarenes by intramolecular indole coupling","Organic Chemistry Frontiers","2019","6","19","3327","","10.1039/C9QO00859D","","x-ray","0.71073","MoKα","","0.0665","0.0432","","","0.0905","0.1004","","","","","","1.02","","","","has coordinates","238316","2020-10-21","18:00:00",""
"1555093","16.5782","0.0011","28.2895","0.0019","17.3002","0.0011","90","","93.414","0.002","90","","8099.2","0.9","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H64 N10 O6 -","- C72 H64 N10 O6 -","- C288 H256 N40 O24 -","4","1","","Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan","Constructing bridged multifunctional calixarenes by intramolecular indole coupling","Organic Chemistry Frontiers","2019","6","19","3327","","10.1039/C9QO00859D","","","0.71073","MoKα","","0.2255","0.1582","","","0.4204","0.4539","","","","","","1.472","","","","has coordinates,has disorder","238316","2020-10-21","18:00:00",""
"1555094","30.104","0.003","23.487","0.002","26.09","0.004","90","","121.557","0.001","90","","15719","3","150","2","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H68 N8 O8 -","- C76 H68.052 N8.052 O8 -","- C608 H544.416 N64.416 O64 -","8","1","","Bolshchikov, Boris; Volkov, Sergey; Sokolova, Daria; Gorbunov, Alexander; Serebryannikova, Alina; Gloriozov, Igor; Cheshkov, Dmitry; Bezzubov, Stanislav; Chung, Wen-Sheng; Kovalev, Vladimir; Vatsouro, Ivan","Constructing bridged multifunctional calixarenes by intramolecular indole coupling","Organic Chemistry Frontiers","2019","6","19","3327","","10.1039/C9QO00859D","","","0.71073","MoKα","","0.2181","0.164","","","0.3643","0.3949","","","","","","1.034","","","","has coordinates,has disorder","238316","2020-10-21","18:00:00",""
"1555097","14.445","0.0009","6.6377","0.0003","15.6545","0.0006","90","","94.414","0.005","90","","1496.53","0.13","297.4","0.6","297.4","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9.33 Cl0.67 N2 -","- C12 H9.33333 Cl0.666667 N2 -","- C72 H56 Cl4 N12 -","6","1.5","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","x-ray","0.71073","MoKα","","0.1144","0.0775","","","0.2213","0.2595","","","","","","1.046","","","","has coordinates","238319","2020-10-21","18:00:00",""
"1555098","13.055","0.005","13.601","0.005","10.697","0.005","90","0.005","100.788","0.005","90","0.005","1865.8","1.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","","0.71073","MoKα","","0.077","0.0668","","","0.1683","0.1755","","","","","","1.071","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1555099","9.293","0.005","13.946","0.005","16.068","0.005","114.567","0.005","99.86","0.005","93.392","0.005","1846.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 F N3 O2 -","- C23 H14 F N3 O2 -","- C92 H56 F4 N12 O8 -","4","2","","Surendra Reddy, G.; Ramachary, Dhevalapally B.","Reaction engineering and photophysical studies of fully enriched C-vinyl-1,2,3-triazoles","Organic Chemistry Frontiers","2019","6","21","3620","","10.1039/C9QO00864K","","","0.71073","MoKα","","0.0733","0.0461","","","0.1047","0.1164","","","","","","1.057","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1555101","8.9187","0.0005","14.6101","0.0009","16.5218","0.0009","90","","90","","90","","2152.8","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","BM6","","- C25 H22 F N O5 -","- C25 H22 F N O5 -","- C100 H88 F4 N4 O20 -","4","1","","Bhattacharya, Aditya; mani Shukla, Pushpendra; Kumar Kaushik, Lalit; Maji, Biswajit","Synthesis of chromans and kinetic resolution of 2-aryl-3-nitro-2H-chromenes via the NHC-bound azolium homoenolate pathway","Organic Chemistry Frontiers","2019","6","20","3523","","10.1039/C9QO00868C","","x-ray","0.71073","MoKα","","0.0976","0.0578","","","0.1202","0.1502","","","","","","1.072","","","","has coordinates","238322","2020-10-21","18:00:00",""
"1555103","19.5977","0.0012","8.1238","0.0004","23.2996","0.0012","90","","90.182","0.005","90","","3709.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C176 H168 N8 O24 S8 -","8","1","","Chen, Xiaoyan; Zhou, Hao; Chen, Zhiyuan","Pd/P/dba-Promoted cascade annulations to produce fused medium-sized sulfoximine polyheterocycles","Organic Chemistry Frontiers","2019","6","19","3415","","10.1039/C9QO00880B","","","0.71073","MoKα","","0.0458","0.0412","","","0.1085","0.1121","","","","","","1.007","","","","has coordinates","238324","2020-10-21","18:00:00",""
"1555104","8.199","0.0007","11.3055","0.0013","14.2419","0.0011","100.441","0.008","100.282","0.007","91.136","0.008","1275.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H22 Br3 Cl2 N O3 S -","- C23 H22 Br3 Cl2 N O3 S -","- C46 H44 Br6 Cl4 N2 O6 S2 -","2","1","","Chen, Xiaoyan; Zhou, Hao; Chen, Zhiyuan","Pd/P/dba-Promoted cascade annulations to produce fused medium-sized sulfoximine polyheterocycles","Organic Chemistry Frontiers","2019","6","19","3415","","10.1039/C9QO00880B","","","0.71073","MoKα","","0.2451","0.1666","","","0.2851","0.3351","","","","","","1.094","","","","has coordinates","238324","2020-10-21","18:00:00",""
"1555110","7.9759","0.0004","16.1628","0.0008","31.7213","0.0015","90","","90","","90","","4089.3","0.3","120","2","120","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 S -","- C26 H20 O3 S -","- C208 H160 O24 S8 -","8","2","","Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan","A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds","Organic Chemistry Frontiers","2019","6","18","3259","","10.1039/C9QO00886A","","","0.71073","MoKα","","0.0458","0.0383","","","0.0854","0.089","","","","","","1.086","","","","has coordinates","238326","2020-10-21","18:00:00",""
"1555111","5.7472","0.0002","16.912","0.0006","22.0104","0.0008","90","","90","","90","","2139.34","0.13","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O3 S -","- C27 H21 N O3 S -","- C108 H84 N4 O12 S4 -","4","1","","Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan","A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds","Organic Chemistry Frontiers","2019","6","18","3259","","10.1039/C9QO00886A","","","1.54178","CuKα","","0.0265","0.0255","","","0.0627","0.0633","","","","","","1.075","","","","has coordinates","238326","2020-10-21","18:00:00",""
"1555113","10.596","0.0005","11.6796","0.0005","12.6988","0.0006","69.855","0.004","70.549","0.004","88.791","0.004","1383.42","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H25 Cl N2 O5 -","- C33 H25 Cl N2 O5 -","- C66 H50 Cl2 N4 O10 -","2","2","","Wang, Zhen-Hua; Lei, Chuan-Wen; Zhang, Xia-Yan; You, Yong; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Asymmetric domino 1,6-addition/annulation reaction of 3-cyano-4-alkenyl-2H-chromen-2-ones with isatin-derived MBH carbonates: enantioselective synthesis of 3,3′-cyclopentenylspirooxindoles bearing 2H-chromen-2-ones","Organic Chemistry Frontiers","2019","6","19","3342","","10.1039/C9QO00890J","","x-ray","1.54184","CuKα","","0.0499","0.0449","","","0.1108","0.1165","","","","","","1.051","","","","has coordinates","238328","2020-10-21","18:00:00",""
"1555115","17.7343","0.0017","13.4538","0.0011","24.68","0.002","90","","94.67","0.003","90","","5868.9","0.9","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl N2 O3 -","- C33 H29 Cl N2 O3 -","- C264 H232 Cl8 N16 O24 -","8","2","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1516","0.0662","","","0.1679","0.2067","","","","","","1.016","","","","has coordinates","238330","2020-10-21","18:00:00",""
"1555116","9.853","0.0014","14.0452","0.0018","15.201","0.002","111.663","0.004","93.543","0.005","102.84","0.004","1882","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H39 N3 O7 -","- C44 H39 N3 O7 -","- C88 H78 N6 O14 -","2","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1855","0.0718","","","0.1451","0.1845","","","","","","1.006","","","","has coordinates","238330","2020-10-21","18:00:00",""
"1555117","12.847","0.003","12.739","0.003","20.208","0.004","90","","96.73","0.006","90","","3284.4","1.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 O5 -","- C33 H29 N3 O5 -","- C132 H116 N12 O20 -","4","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1512","0.0833","","","0.2481","0.2858","","","","","","1.046","","","","has coordinates","238330","2020-10-21","18:00:00",""
"1555118","10.1992","0.001","17.1094","0.0019","33.448","0.003","90","","90","","90","","5836.7","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 N2 O3 -","- C34 H28 Cl2 N2 O3 -","- C272 H224 Cl16 N16 O24 -","8","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1643","0.0727","","","0.1324","0.1624","","","","","","1.052","","","","has coordinates","238330","2020-10-21","18:00:00",""
"1555120","9.2786","0.0006","9.5213","0.0006","15.4265","0.0006","75.673","0.004","76.438","0.004","71.3","0.005","1232.75","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N3 O5 P -","- C20 H40 N3 O5 P -","- C40 H80 N6 O10 P2 -","2","1","","Audran, Gérard; Bosco, Lionel; Brémond, Paul; Jugniot, Natacha; Marque, Sylvain R. A.; Massot, Philippe; Mellet, Philippe; Moussounda Moussounda Koumba, Tataye; Parzy, Elodie; Rivot, Angélique; Thiaudière, Eric; Voisin, Pierre; Wedl, Carina; Yamasaki, Toshihide","Enzymatic triggering of C–ON bond homolysis of alkoxyamines","Organic Chemistry Frontiers","2019","6","21","3663","","10.1039/C9QO00899C","","x-ray","1.54184","CuKα","","0.0601","0.0522","","","0.1447","0.1561","","","","","","1.053","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555121","8.8282","0.0006","22.0666","0.0014","12.5309","0.0006","90","","96.936","0.005","90","","2423.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 N3 O4 P -","- C20 H38 N3 O4 P -","- C80 H152 N12 O16 P4 -","4","1","","Audran, Gérard; Bosco, Lionel; Brémond, Paul; Jugniot, Natacha; Marque, Sylvain R. A.; Massot, Philippe; Mellet, Philippe; Moussounda Moussounda Koumba, Tataye; Parzy, Elodie; Rivot, Angélique; Thiaudière, Eric; Voisin, Pierre; Wedl, Carina; Yamasaki, Toshihide","Enzymatic triggering of C–ON bond homolysis of alkoxyamines","Organic Chemistry Frontiers","2019","6","21","3663","","10.1039/C9QO00899C","","x-ray","1.54184","CuKα","","0.0584","0.0477","","","0.1301","0.143","","","","","","1.04","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555123","10.22","0.002","9.55","0.002","20.071","0.005","90","","93.737","0.013","90","","1954.8","0.7","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","1","","Li, Hexin; Zhang, Mengru; Mehfooz, Haroon; Zhu, Dongxia; Zhao, Jinbo; Zhang, Qian","Highly convergent modular access to poly-carbon substituted cyclopropanes via Cu(i)-catalyzed three-component cyclopropene carboallylation","Organic Chemistry Frontiers","2019","6","19","3387","","10.1039/C9QO00902G","","","1.54178","CuKα","","0.0749","0.0624","","","0.1446","0.153","","","","","","1.081","","","","has coordinates","238334","2020-10-21","18:00:00",""
"1555125","13.3229","0.0003","6.2024","0.0001","15.4655","0.0004","90","","115.145","0.003","90","","1156.87","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 Br Cl3 N2 O4 -","- C22 H18 Br Cl3 N2 O4 -","- C44 H36 Br2 Cl6 N4 O8 -","2","1","","Zhao, Mei-Xin; Liu, Qiang; Yu, Kun-Ming; Zhao, Xiao-Li; Shi, Min","Organocatalyzed asymmetric formal [3 + 2] cycloaddition of isocyanoacetates with N-itaconimides: facile access to optically active spiropyrroline succinimide derivatives","Organic Chemistry Frontiers","2019","6","23","3879","","10.1039/C9QO00939F","","x-ray","1.54184","CuKα","","0.0443","0.0424","","","0.1096","0.1112","","","","","","1.093","","","","has coordinates","238336","2020-10-21","18:00:00",""
"1555127","5.0942","0.0009","9.6532","0.0013","11.935","0.002","91.045","0.013","91.275","0.014","101.201","0.013","575.43","0.16","293.6","0.3","293.6","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F3 N O -","- C13 H10 F3 N O -","- C26 H20 F6 N2 O2 -","2","1","","Lu, Kui; Wei, Xianfu; Li, Quan; Li, Yuxuan; Ji, Liangshuo; Hua, Erbing; Dai, Yujie; Zhao, Xia","Synthesis of α-trifluoromethyl ethanone oximes via the three-component reaction of aryl-substituted ethylenes, tert-butyl nitrite, and the Langlois reagent","Organic Chemistry Frontiers","2019","6","22","3766","","10.1039/C9QO00940J","","x-ray","0.71073","MoKα","","0.1682","0.0938","","","0.2251","0.2822","","","","","","1.005","","","","has coordinates","238338","2020-10-21","18:00:00",""
"1555129","7.0302","0.0007","7.6119","0.0008","7.7844","0.0009","94.191","0.009","109.731","0.01","97.56","0.009","385.61","0.08","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C7.5 H15 O2 -","- C7.5 H15 O2 -","- C15 H30 O4 -","2","2","","Song, Yin-Ping; Miao, Feng-Ping; Yin, Xiu-Li; Ji, Nai-Yun","Nitrogenous cyclonerane sesquiterpenes from an algicolous strain of Trichoderma asperellum","Organic Chemistry Frontiers","2019","6","21","3698","","10.1039/C9QO00942F","","","1.54178","CuKα","","0.0322","0.0315","","","0.0858","0.0865","","","","","","1.092","","","","has coordinates","238340","2020-10-21","18:00:00",""
"1555131","5.168","0.0004","15.6589","0.0007","15.9344","0.0011","90","","90","","90","","1289.49","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N3 O2 S -","- C16 H9 N3 O2 S -","- C64 H36 N12 O8 S4 -","4","1","","Recio, Javier; Pérez-Redondo, Adrián; Alvarez-Builla, Julio; Burgos, Carolina","Access to 2-substituted 1-pyridin-3-yl-β-carboline derivatives by intramolecular radical cyclization-ring opening-SNAr substitution","Organic Chemistry Frontiers","2019","6","18","3300","","10.1039/C9QO00944B","","x-ray","0.71073","MoKα","","0.0688","0.0445","","","0.0842","0.0938","","","","","","1.087","","","","has coordinates","238342","2020-10-21","18:00:00",""
"1555132","8.3252","0.0006","9.8395","0.0012","11.1869","0.0013","65.08","0.009","71.705","0.009","67.231","0.006","753.73","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br N3 O2 S -","- C16 H10 Br N3 O2 S -","- C32 H20 Br2 N6 O4 S2 -","2","1","","Recio, Javier; Pérez-Redondo, Adrián; Alvarez-Builla, Julio; Burgos, Carolina","Access to 2-substituted 1-pyridin-3-yl-β-carboline derivatives by intramolecular radical cyclization-ring opening-SNAr substitution","Organic Chemistry Frontiers","2019","6","18","3300","","10.1039/C9QO00944B","","x-ray","0.71073","MoKα","","0.047","0.036","","","0.082","0.0882","","","","","","1.087","","","","has coordinates","238342","2020-10-21","18:00:00",""
"1555136","7.8518","0.0006","10.3592","0.0007","14.2099","0.0011","80.043","0.002","83.223","0.002","82.438","0.002","1123.12","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C54 H50 N2 O6 S2 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0961","0.0492","","","0.11","0.1265","","","","","","1.018","","","","has coordinates,has disorder","238346","2020-10-21","18:00:00",""
"1555137","5.9034","0.0005","21.165","0.002","21.6677","0.0019","90","","91.308","0.003","90","","2706.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N O3 S -","- C26 H22 Cl N O3 S -","- C104 H88 Cl4 N4 O12 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1789","0.0779","","","0.1912","0.2261","","","","","","1.035","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555138","9.3704","0.0005","10.2251","0.0006","11.2595","0.0006","76.2532","0.0018","78.5679","0.0016","75.2513","0.0017","1002.43","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl N O3 S -","- C24 H18 Cl N O3 S -","- C48 H36 Cl2 N2 O6 S2 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0459","0.038","","","0.0971","0.1024","","","","","","1.021","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555139","7.8538","0.0006","13.4956","0.001","17.2047","0.0016","90","","101.145","0.003","90","","1789.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O4 S -","- C23 H17 N O4 S -","- C92 H68 N4 O16 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0785","0.0505","","","0.1115","0.1231","","","","","","1.048","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555140","13.0035","0.0011","15.8463","0.0012","9.5395","0.0009","90","","101.719","0.003","90","","1924.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O5 S -","- C23 H16 N2 O5 S -","- C92 H64 N8 O20 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.0768","0.047","","","0.104","0.1169","","","","","","1.02","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555141","7.3838","0.0011","11.2551","0.0015","24.298","0.003","90","","90","","90","","2019.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1009","0.0506","","","0.0889","0.1005","","","","","","1.04","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555142","9.2819","0.0008","23.5334","0.0017","10.2751","0.0007","90","","111.152","0.003","90","","2093.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 S2 -","- C24 H21 N O3 S2 -","- C96 H84 N4 O12 S8 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1492","0.0716","","","0.1659","0.1995","","","","","","1.017","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555143","8.2024","0.0004","10.5566","0.0005","11.0975","0.0005","68.8504","0.0013","79.7504","0.0014","71.2427","0.0014","846.51","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O5 S -","- C20 H15 N O5 S -","- C40 H30 N2 O10 S2 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.043","0.0349","","","0.0879","0.092","","","","","","1.051","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555144","11.095","0.003","12.561","0.004","24.147","0.007","90","","93.088","0.009","90","","3360.3","1.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H30 N2 O3 S2 -","- C37 H30 N2 O3 S2 -","- C148 H120 N8 O12 S8 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1246","0.0827","","","0.228","0.2418","","","","","","1.084","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555145","8.9049","0.0008","14.0612","0.0012","22.343","0.002","90","","93.263","0.003","90","","2793.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C124 H104 N8 O16 S8 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.2165","0.093","","","0.2271","0.2662","","","","","","1.055","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555146","18.289","0.001","13.2118","0.0008","24.2095","0.0013","90","","91.165","0.0019","90","","5848.5","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Cl2 N2 O3 S2 -","- C35 H22 Cl2 N2 O3 S2 -","- C280 H176 Cl16 N16 O24 S16 -","8","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1565","0.0735","","","0.1527","0.1821","","","","","","1.025","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555147","7.6623","0.0005","10.2269","0.0007","19.008","0.0013","102.84","0.002","91.559","0.002","103.009","0.002","1410.29","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O4 S2 -","- C32 H28 N2 O4 S2 -","- C64 H56 N4 O8 S4 -","2","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.092","0.0706","","","0.178","0.1879","","","","","","1.042","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555150","20.6626","0.0008","10.3356","0.0004","13.6724","0.0005","90","","123.325","0.002","90","","2439.76","0.17","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34.5 F3 N O1.25 -","- C25 H34 F3 N O4.25 -","- C100 H136 F12 N4 O17 -","4","1","","Sampaio-Dias, Ivo E.; Silva-Reis, Sara C.; Pinto da Silva, Luís; García-Mera, Xerardo; Maestro, Miguel A.; Rodríguez-Borges, José E.","Mechanistic insights for the transprotection of tertiary amines with Boc2O via charged carbamates: access to both enantiomers of 2-azanorbornane-3-exo-carboxylic acids","Organic Chemistry Frontiers","2019","6","20","3540","","10.1039/C9QO00957D","","","0.71073","MoKα","","0.0434","0.041","","","0.1123","0.1181","","","","","","1.083","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555152","33.942","0.004","11.5163","0.0011","9.4629","0.0009","90","","99.03","0.004","90","","3653.1","0.7","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Cecchini, Chiara; Cera, Gianpiero; Lanzi, Matteo; Marchiò, Luciano; Malacria, Max; Maestri, Giovanni","Diastereoselective bicyclization of enynols via gold catalysis","Organic Chemistry Frontiers","2019","6","20","3584","","10.1039/C9QO00963A","","","0.71073","MoKα","","0.1147","0.0516","","","0.1011","0.1309","","","","","","1.031","","","","has coordinates","238351","2020-10-21","18:00:00",""
"1555153","7.3872","0.0002","10.8747","0.0003","16.4977","0.0004","90","","90","","90","","1325.32","0.06","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Cecchini, Chiara; Cera, Gianpiero; Lanzi, Matteo; Marchiò, Luciano; Malacria, Max; Maestri, Giovanni","Diastereoselective bicyclization of enynols via gold catalysis","Organic Chemistry Frontiers","2019","6","20","3584","","10.1039/C9QO00963A","","","1.54184","CuKα","","0.0307","0.0306","","","0.0833","0.0835","","","","","","1.059","","","","has coordinates","238351","2020-10-21","18:00:00",""
"1555156","11.8298","0.0002","17.6502","0.0003","13.5929","0.0002","90","","90.058","0.001","90","","2838.17","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O7 -","- C30 H38 O7 -","- C120 H152 O28 -","4","1","","Feng, Ziwen; Yuan, Zhenbo; Zhao, Xiaobin; Huang, Yue; Yao, Hequan","A [4 + 1] annulation of ortho-electrophile-substituted para-quinone methides for the synthesis of indanes and isoindolines","Organic Chemistry Frontiers","2019","6","20","3535","","10.1039/C9QO00977A","","","1.54178","CuKα","","0.0809","0.0702","","","0.1876","0.2034","","","","","","1.068","","","","has coordinates","238354","2020-10-21","18:00:00",""
"1555157","11.2677","0.0001","10.9396","0.0001","24.121","0.0003","90","","93.117","0.001","90","","2968.86","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N2 O6 -","- C31 H38 N2 O6 -","- C124 H152 N8 O24 -","4","1","","Feng, Ziwen; Yuan, Zhenbo; Zhao, Xiaobin; Huang, Yue; Yao, Hequan","A [4 + 1] annulation of ortho-electrophile-substituted para-quinone methides for the synthesis of indanes and isoindolines","Organic Chemistry Frontiers","2019","6","20","3535","","10.1039/C9QO00977A","","","1.54178","CuKα","","0.0543","0.0487","","","0.1368","0.143","","","","","","1.047","","","","has coordinates","238354","2020-10-21","18:00:00",""
"1555159","10.0737","0.0005","6.1334","0.00019","13.8766","0.0006","90","","107.776","0.005","90","","816.45","0.06","109.2","0.5","109.2","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Sun, Zhaocui; Zhu, Nailiang; Zhou, Man; Huo, Xiaowei; Wu, Haifeng; Tian, Yu; Yang, Junshan; Ma, Guoxu; Yang, Yan-Long; Xu, Xudong","Clavipines A‒C, antiproliferative meroterpenoids with a fused azepine skeleton from the basidiomycete Clitocybe clavipes","Organic Chemistry Frontiers","2019","6","22","3759","","10.1039/C9QO01005J","","x-ray","1.54184","CuKα","","0.0376","0.037","","","0.0938","0.0945","","","","","","1.047","","","","has coordinates","238356","2020-10-21","18:00:00",""
"1555160","8.594","0.0003","11.8962","0.0008","13.1105","0.0005","90","","90","","90","","1340.36","0.11","109.65","0.1","109.65","0.1","","","","","","","Clitocybe Clavipes","3","P 21 21 21","P 2ac 2ab","19","clavilactone A","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Sun, Zhaocui; Zhu, Nailiang; Zhou, Man; Huo, Xiaowei; Wu, Haifeng; Tian, Yu; Yang, Junshan; Ma, Guoxu; Yang, Yan-Long; Xu, Xudong","Clavipines A‒C, antiproliferative meroterpenoids with a fused azepine skeleton from the basidiomycete Clitocybe clavipes","Organic Chemistry Frontiers","2019","6","22","3759","","10.1039/C9QO01005J","","x-ray","1.54184","CuKα","","0.0389","0.0384","","","0.0986","0.0991","","","","","","1.09","","","","has coordinates","238356","2020-10-21","18:00:00",""
"1555164","11.6812","0.0011","6.6839","0.001","13.6312","0.001","90","","90","","90","","1064.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H6 Cl2 O S -","- C11 H6 Cl2 O S -","- C44 H24 Cl8 O4 S4 -","4","0.5","","Wang, Ting; An, Zhenyu; Qi, Zhenjie; Zhuang, Daijiao; Chang, Aosheng; Yang, Yunxia; Yan, Rulong","Ring-opening/annulation reaction of cyclopropyl ethanols: concise access to thiophene aldehydes via C‒S bond formation","Organic Chemistry Frontiers","2019","6","21","3705","","10.1039/C9QO01014A","","","0.71073","MoKα","","0.0773","0.0459","","","0.1039","0.1271","","","","","","1.053","","","","has coordinates","238360","2020-10-21","18:00:00",""
"1555166","9.5954","0.0004","12.6894","0.0004","11.2412","0.0004","90","","112.927","0.004","90","","1260.6","0.09","100","0.3","100","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl N3 O4 S -","- C28 H24 Cl N3 O4 S -","- C56 H48 Cl2 N6 O8 S2 -","2","1","","Zhang, Haoran; Li, Shiwu; Kang, Qiang; Du, Yu","Chiral-at-metal rhodium(iii) complex catalyzed enantioselective synthesis of C2-substituted benzofuran derivatives","Organic Chemistry Frontiers","2019","6","21","3683","","10.1039/C9QO01022J","","","1.54184","CuKα","","0.0477","0.0402","","","0.089","0.0936","","","","","","1.031","","","","has coordinates","238362","2020-10-21","18:00:00",""
"1555168","10.8289","0.0002","10.4035","0.0002","17.1866","0.0003","90","","103.19","0.002","90","","1885.14","0.06","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H18 N2 O6 Si -","- C19 H18 N2 O6 Si -","- C76 H72 N8 O24 Si4 -","4","1","","Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.","Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes","Organic Chemistry Frontiers","2019","6","22","3793","","10.1039/C9QO01028A","","","1.54184","CuKα","","0.0279","0.0274","","","0.0735","0.0741","","","","","","1.025","","","","has coordinates","238364","2020-10-21","18:00:00",""
"1555169","5.9864","0.0001","18.2027","0.0004","21.5323","0.0004","90","","90","","90","","2346.35","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 Si -","- C25 H22 N2 O6 Si -","- C100 H88 N8 O24 Si4 -","4","1","","Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.","Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes","Organic Chemistry Frontiers","2019","6","22","3793","","10.1039/C9QO01028A","","","1.54184","CuKα","","0.0383","0.0344","","","0.0848","0.0875","","","","","","1.022","","","","has coordinates","238364","2020-10-21","18:00:00",""
"1555173","25.9119","0.0007","7.4654","0.0002","11.5725","0.0003","90","","107.999","0.001","90","","2129.06","0.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao","Expanstines A‒D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion","Organic Chemistry Frontiers","2019","6","23","3839","","10.1039/C9QO01076A","","","1.54178","CuKα","","0.053","0.0525","","","0.1389","0.1396","","","","","","1.06","","","","has coordinates","238367","2020-10-21","18:00:00",""
"1555174","12.7263","0.0005","18.5197","0.0007","24.0727","0.0009","90","","90","","90","","5673.6","0.4","100","2","100","2","","","","","","","Penicillium expansum YJ-15","3","P 21 21 21","P 2ac 2ab","19","","expanstine D","","- C22 H30.66667 O4.33333 -","- C22 H30.6667 O4.33333 -","- C264 H368 O52 -","12","3","","Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao","Expanstines A–D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion","Organic Chemistry Frontiers","2019","6","23","3839","","10.1039/C9QO01076A","","","1.54178","CuKα","","0.0494","0.0427","","","0.1223","0.1322","","","","","","0.987","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1555176","20.3875","0.0007","20.3875","0.0007","7.4174","0.0003","90","","90","","120","","2669.99","0.17","100","2","100","2","","","","","","","Fungal Co-culture of Epicoccum sp. and Armillaria sp.","3","P 65","P 65","170","","Epicorpenoid A","","- C18 H26 O6 -","- C18 H26 O6 -","- C108 H156 O36 -","6","1","","Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao","Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp.","Organic Chemistry Frontiers","2019","6","23","3847","","10.1039/C9QO01087D","","","1.54178","CuKα","","0.0256","0.0254","","","0.0844","0.0852","","","","","","0.831","","","","has coordinates","238369","2020-10-21","18:00:00",""
"1555178","10.4723","0.0007","12.7127","0.0009","12.7391","0.0009","113.157","0.007","97.019","0.006","110.996","0.006","1385.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27.62 N2 O6 -","- C34 H26.08 N2 O6 -","- C68 H52.16 N4 O12 -","2","1","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","x-ray","0.71073","MoKα","","0.1197","0.0784","","","0.2369","0.2764","","","","","","1.071","","","","has coordinates,has disorder","238371","2020-10-21","18:00:00",""
"1555179","12.287","0.0013","13.2979","0.0016","27.85","0.004","86.66","0.013","90","","90","","4542.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H52 N2 O7 -","- C51 H52 N2 O7 -","- C204 H208 N8 O28 -","4","2","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","","0.71073","MoKα","","0.2354","0.107","","","0.2667","0.349","","","","","","1.008","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555180","32.9549","0.0008","12.7486","0.0002","24.5123","0.0006","90","","90","","90","","10298.3","0.4","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H28 N2 O6 -","- C31.4775 H25.2 N2 O6 -","- C503.64 H403.2 N32 O96 -","16","4","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","x-ray","1.54184","CuKα","","0.1779","0.1534","","","0.3425","0.3669","","","","","","1.351","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555182","11.6007","0.0008","5.7368","0.0005","15.0074","0.001","90","","101.62","0.007","90","","978.29","0.13","293.8","0.4","293.8","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 O5 -","- C25 H18 O5 -","- C50 H36 O10 -","2","1","","Zhang, Song; Yu, Xiaojun; Pan, Jianke; Jiang, Chunhui; Zhang, Hongsu; Wang, Tianli","Asymmetric synthesis of spiro-structural 2,3-dihydrobenzofurans via the bifunctional phosphonium salt-promoted [4 + 1] cyclization of ortho-quinone methides with α-bromoketones","Organic Chemistry Frontiers","2019","6","22","3799","","10.1039/C9QO01096C","","x-ray","1.54184","CuKα","","0.0635","0.0579","","","0.1605","0.1702","","","","","","1.039","","","","has coordinates","238373","2020-10-21","18:00:00",""
"1555184","11.4043","0.0011","9.8807","0.001","25.367","0.003","90","","93.04","0.003","90","","2854.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","","0.71073","MoKα","","0.1091","0.0465","","","0.0967","0.1238","","","","","","1.001","","","","has coordinates","238375","2020-10-21","18:00:00",""
"1555185","24.4812","0.0004","7.9863","0.0001","25.3899","0.0003","90","","103.221","0.001","90","","4832.51","0.12","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O8 -","- C26 H37 N O8 -","- C208 H296 N8 O64 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","x-ray","1.54184","CuKα","","0.0582","0.0577","","","0.1522","0.1526","","","","","","1.068","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555186","8.3885","0.0001","24.6653","0.0002","19.7148","0.0001","90","","97.294","0.001","90","","4046.08","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C176 H232 N8 O40 -","8","2","","Zhong, Jiaxin; He, Haibing; Gao, Shuanhu","Exploration of 1,3-dipolar cycloaddition reactions to construct the core skeleton of Calyciphylline A-type alkaloids","Organic Chemistry Frontiers","2019","6","22","3781","","10.1039/C9QO01111K","","x-ray","1.54184","CuKα","","0.0458","0.0435","","","0.1068","0.1084","","","","","","1.04","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555189","11.1372","0.0011","8.2426","0.0008","12.2345","0.0012","90","","110.187","0.001","90","","1054.13","0.18","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C50 H46 N2 O6 S2 -","2","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0434","0.0336","","","0.0807","0.086","","","","","","1.048","","","","has coordinates","238378","2020-10-21","18:00:00",""
"1555190","26.476","0.004","9.6581","0.0015","9.1391","0.0014","90","","98.974","0.003","90","","2308.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C100 H100 N4 O16 S4 -","4","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0634","0.0416","","","0.0848","0.095","","","","","","1.017","","","","has coordinates","238378","2020-10-21","18:00:00",""
"1555191","8.784","0.003","9.976","0.003","12.349","0.004","90","","90.656","0.005","90","","1082.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C50 H46 N2 O6 S2 -","2","1","","Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai","Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals","Organic Chemistry Frontiers","2019","6","22","3725","","10.1039/C9QO01116A","","","0.71073","MoKα","","0.0609","0.0472","","","0.1244","0.1376","","","","","","1.033","","","","has coordinates","238378","2020-10-21","18:00:00",""
"1555193","13.65","0.003","9.7451","0.0019","19.194","0.004","90","","105.2","0.03","90","","2463.9","1","293","2","293","2","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","7-(2H-Indazol-2-yl)-11-tosyl-6a,11a-dihydro-11H-benzo[a]carbazole","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C120 H92 N12 O8 S4 -","4","1","","Vivek Kumar, Sundaravel; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Rh-Catalyzed C‒C/C‒N bond formation via C‒H activation: synthesis of 2H-indazol-2-yl-benzo[a]carbazoles","Organic Chemistry Frontiers","2019","6","23","3885","","10.1039/C9QO01120J","","","0.71073","MoKα","","0.0793","0.053","","","0.1282","0.1483","","","","","","1.023","","","","has coordinates,has disorder","238380","2020-10-21","18:00:00",""
"1555195","9.8054","0.0005","11.1916","0.0005","13.8588","0.0006","102.001","0.002","100.882","0.001","107.337","0.001","1367.85","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N3 O3 S -","- C31 H29 N3 O3 S -","- C62 H58 N6 O6 S2 -","2","1","","Wang, Fei; Xu, Pei; Liu, Bei-Bei; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed multicomponent reaction of sulfonyl azides, primary amines and methyl α-isocyanoacetates: highly efficient synthesis of tetrasubstituted imidazolone derivatives","Organic Chemistry Frontiers","2019","6","22","3754","","10.1039/C9QO01122F","","","0.71073","MoKα","","0.1029","0.0647","","","0.1392","0.1555","","","","","","1.039","","","","has coordinates","238382","2020-10-21","18:00:00",""
"1555198","8.4028","0.0002","8.4685","0.0002","18.8231","0.0005","90","","91.121","0.002","90","","1339.18","0.06","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","","0.71073","MoKα","","0.0432","0.0365","","","0.0881","0.0926","","","","","","1.03","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555199","28.7181","0.0008","16.094","0.0004","7.4702","0.0002","90","","90","","90","","3452.65","0.16","100","2","99.98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","","0.71073","MoKα","","0.0623","0.047","","","0.0946","0.1004","","","","","","1.037","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555200","8.899","0.008","16.027","0.013","21.774","0.019","90","","90","","90","","3106","5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.1027","0.0676","","","0.1251","0.1376","","","","","","1.104","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555201","14.7127","0.0013","13.2097","0.0016","27.114","0.003","90","","97.327","0.009","90","","5226.6","1","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 N4 O3 -","- C35 H24 N4 O3 -","- C280 H192 N32 O24 -","8","2","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.092","0.0563","","","0.1316","0.1489","","","","","","1.061","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1555202","16.535","0.0007","8.4288","0.0004","22.1228","0.0009","90","","90","","90","","3083.3","0.2","100","","100.16","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0729","0.0557","","","0.1381","0.1519","","","","","","1.061","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555203","8.36","0.005","9.772","0.004","13.225","0.006","79.646","0.011","71.931","0.019","81.249","0.016","1005","0.9","100","2","99.96","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N3 O2 -","- C28 H19 N3 O2 -","- C56 H38 N6 O4 -","2","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0594","0.0511","","","0.1406","0.1468","","","","","","1.071","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555204","14.667","0.004","9.231","0.003","15.139","0.004","90","","107.187","0.008","90","","1958.2","1","100","","100.03","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Br2 N2 O2 -","- C23 H16 Br2 N2 O2 -","- C92 H64 Br8 N8 O8 -","4","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0254","0.0212","","","0.0497","0.051","","","","","","1.052","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555205","18.714","0.003","15.974","0.003","12.0964","0.0018","90","","90","","90","","3616.1","1","100","2","99.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C200 H144 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0605","0.0423","","","0.0983","0.109","","","","","","1.028","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555209","28.8585","0.0006","28.8585","0.0006","37.617","0.0004","90","","90","","120","","27130.8","0.8","100","2","100","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C44.4 H38.4 N1.2 S1.8 -","- C44.4 H38.4 N1.2 S1.8 -","- C888 H768 N24 S36 -","20","1.66667","","Ghosh, Arindam; Dash, Syamasrit; Srinivasan, A.; Suresh, C. H.; Peruncheralathan, S.; Chandrashekar, Tavarekere K.","Core-modified 48π and 42π decaphyrins: syntheses, properties and structures","Organic Chemistry Frontiers","2019","6","22","3746","","10.1039/C9QO01162E","","","1.54184","CuKα","","0.0697","0.0421","","","0.0947","0.1041","","","","","","0.828","","","","has coordinates","238390","2020-10-21","18:00:00",""
"1555210","8.69725","0.00017","10.9283","0.0002","20.5323","0.0005","84.0758","0.0017","88.6243","0.0018","67.6514","0.0018","1795.05","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22.67 N2.67 S2 -","- C28 H22.6667 N2.66667 S2 -","- C84 H68 N8 S6 -","3","1.5","","Ghosh, Arindam; Dash, Syamasrit; Srinivasan, A.; Suresh, C. H.; Peruncheralathan, S.; Chandrashekar, Tavarekere K.","Core-modified 48π and 42π decaphyrins: syntheses, properties and structures","Organic Chemistry Frontiers","2019","6","22","3746","","10.1039/C9QO01162E","","x-ray","1.54184","CuKα","","0.0852","0.0779","","","0.2323","0.2367","","","","","","1.092","","","","has coordinates","238390","2020-10-21","18:00:00",""
"1555212","10.0558","0.0007","10.1395","0.0005","18.5575","0.001","90","","98.819","0.006","90","","1869.77","0.19","292.9","0.1","292.9","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Jiao, Meng-Jie; Liu, Dan; Hu, Xiu-Qin; Xu, Peng-Fei","Photocatalytic decarboxylative [2 + 2 + 1] annulation of 1,6-enynes with N-hydroxyphthalimide esters for the synthesis of indene-containing polycyclic compounds","Organic Chemistry Frontiers","2019","6","23","3834","","10.1039/C9QO01166H","","x-ray","0.71073","MoKα","","0.1486","0.1088","","","0.2683","0.3231","","","","","","1.052","","","","has coordinates","238392","2020-10-21","18:00:00",""
"1555215","9.2204","0.0018","24.665","0.005","11.584","0.002","90","","105.11","0.03","90","","2543.4","0.9","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br F3 N4 O4 -","- C26 H22 Br F3 N4 O4 -","- C104 H88 Br4 F12 N16 O16 -","4","1","","Zhao, Hong-Wu; Guo, Jia-Ming; Wang, Li-Ru; Ding, Wan-Qiu; Tang, Zhe; Song, Xiu-Qing; Wu, Hui-Hui; Fan, Xiao-Zu; Bi, Xiao-Fan","Diastereoselective formal [3 + 3] cycloaddition of isatin-based α-(trifluoromethyl)imines with N,N′-dialkyloxyureas","Organic Chemistry Frontiers","2019","6","23","3891","","10.1039/C9QO01181A","","","0.71073","MoKα","","0.0779","0.0556","","","0.1249","0.137","","","","","","1.047","","","","has coordinates","238395","2020-10-21","18:00:00",""
"1555217","12.15","0.002","12.226","0.0015","26.113","0.004","99.044","0.006","97.039","0.018","99.079","0.011","3739.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H86 Na5 O29.95 S5 -","- C63.25 H86 Na5 O29.95 S5 -","- C126.5 H172 Na10 O59.9 S10 -","2","1","","Pisagatti, Ilenia; Barbera, Lucia; Gattuso, Giuseppe; Parisi, Melchiorre F.; Geremia, Silvano; Hickey, Neal; Notti, Anna","Guest-length driven high fidelity self-sorting in supramolecular capsule formation of calix[5]arenes in water","Organic Chemistry Frontiers","2019","6","22","3804","","10.1039/C9QO01188A","","x-ray","0.7","Synchrotron","","0.1558","0.1449","","","0.37","0.3778","","","","","","1.036","","","","has coordinates,has disorder","238397","2020-10-21","18:00:00",""
"1555228","8.8749","0.0007","8.8749","0.0007","20.4808","0.0017","90","","90","","90","","1613.1","0.2","90","2","90","2","","","","","","","","4","P 41","P 4w","76","","","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C48 H104 N8 O24 -","8","2","","Chung, Ryan; Hein, Jason E.","Automated solubility and crystallization analysis of non-UV active compounds: integration of evaporative light scattering detection (ELSD) and robotic sampling","Reaction Chemistry & Engineering","2019","4","9","1674","","10.1039/C9RE00057G","","x-ray","1.54178","CuKα","","0.0308","0.0308","","","0.0834","0.0836","","","","","","1.077","","","","has coordinates","238408","2020-10-21","18:00:00",""
"1555232","9.5181","0.0002","11.3448","0.0002","18.2344","0.0004","90","","105.143","0.002","90","","1900.6","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Br Cl N O2 -","- C19 H21 Br Cl N O2 -","- C76 H84 Br4 Cl4 N4 O8 -","4","2","","Monasterolo, Claudio; Müller-Bunz, Helge; Gilheany, Declan G.","Very short highly enantioselective Grignard synthesis of 2,2-disubstituted tetrahydrofurans and tetrahydropyrans.","Chemical science","2019","10","26","6531","6538","10.1039/c9sc00978g","","","1.54184","CuKα","","0.0389","0.0377","","","0.0965","0.0983","","","","","","1.016","","","","has coordinates","238412","2020-10-21","18:00:00",""
"1555234","14.228","0.005","15.407","0.006","16.166","0.006","86.526","0.004","65.199","0.004","85.672","0.004","3206","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 F3 Ir N6 -","- C31 H30 F3 Ir N6 -","- C124 H120 F12 Ir4 N24 -","4","2","","Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.","Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.","Chemical science","2019","10","25","6254","6260","10.1039/c9sc01386e","","","0.71073","MoKα","","0.1509","0.0977","","","0.2345","0.3004","","","","","","1.045","","","","has coordinates","238414","2020-10-21","18:00:00",""
"1555235","27.27","0.008","20.718","0.006","14.832","0.004","90","","116.007","0.003","90","","7531","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 F3 Ir N6 -","- C39 H34 F3 Ir N6 -","- C312 H272 F24 Ir8 N48 -","8","1","","Na, Hanah; Cañada, Louise M; Wen, Zhili; I-Chia Wu, Judy; Teets, Thomas S.","Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence.","Chemical science","2019","10","25","6254","6260","10.1039/c9sc01386e","","","0.71073","MoKα","","0.1318","0.0882","","","0.1765","0.2105","","","","","","1.078","","","","has coordinates,has disorder","238414","2020-10-21","18:00:00",""
"1555238","12.3523","0.0003","12.3523","0.0003","19.4557","0.001","90","","90","","90","","2968.54","0.18","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C26 H54 N2 O2 Zn2 -","- C26 H54 N2 O2 Zn2 -","- C104 H216 N8 O8 Zn8 -","4","0.5","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.1062","0.0591","","","0.1568","0.2114","","","","","","0.998","","","","has coordinates,has disorder","238417","2020-10-21","18:00:00",""
"1555239","9.4169","0.0003","30.0759","0.0006","10.6586","0.0003","90","","106.582","0.003","90","","2893.2","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn2 -","- C30 H46 N2 O2 Zn2 -","- C120 H184 N8 O8 Zn8 -","4","1","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.0662","0.053","","","0.1196","0.1282","","","","","","1.047","","","","has coordinates","238417","2020-10-21","18:00:00",""
"1555240","10.525","0.0004","22.503","0.0007","12.296","0.0004","90","","95.834","0.001","90","","2897.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N2 O2 Zn -","- C30 H46 N2 O2 Zn -","- C120 H184 N8 O8 Zn4 -","4","1","","Budny-Godlewski, Krzysztof; Justyniak, Iwona; Leszczyński, Michał K; Lewiński, Janusz","Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO.","Chemical science","2019","10","30","7149","7155","10.1039/c9sc01396b","","","0.71073","MoKα","","0.0575","0.0443","","","0.097","0.105","","","","","","1.074","","","","has coordinates","238417","2020-10-21","18:00:00",""
"1555245","20.4519","0.001","8.3981","0.0004","29.0733","0.0012","90","","133.17","0.002","90","","3641.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O3 -","- C21 H19 Cl O3 -","- C168 H152 Cl8 O24 -","8","2","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0813","0.0497","","","0.1227","0.1453","","","","","","1.018","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555246","9.2815","0.0013","26.184","0.004","8.2635","0.0013","90","","114.173","0.005","90","","1832.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.1079","0.087","","","0.2372","0.2576","","","","","","1.049","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555247","8.0324","0.0007","10.4173","0.0009","21.4761","0.0018","90","","98.076","0.003","90","","1779.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F O3 -","- C21 H19 F O3 -","- C84 H76 F4 O12 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0718","0.0426","","","0.1036","0.1165","","","","","","1.026","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555248","11.0083","0.0011","17.6321","0.0017","6.9894","0.0007","90","","98.387","0.003","90","","1342.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang","Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.","Chemical science","2019","10","26","6553","6559","10.1039/c9sc01657k","","","0.71073","MoKα","","0.0571","0.0356","","","0.081","0.0925","","","","","","1.036","","","","has coordinates","238422","2020-10-21","18:00:00",""
"1555250","8.2948","0.0003","9.5359","0.0003","10.0158","0.0003","75.291","0.002","74.899","0.002","86.594","0.002","739.79","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Lu, Qingquan; Mondal, Shobhan; Cembellín, Sara; Greßies, Steffen; Glorius, Frank","Site-selective C-H activation and regiospecific annulation using propargylic carbonates.","Chemical science","2019","10","26","6560","6564","10.1039/c9sc01703h","","","1.54178","CuKα","","0.0536","0.0412","","","0.1027","0.1113","","","","","","1.065","","","","has coordinates","238424","2020-10-21","18:00:00",""
"1555252","9.6119","0.0005","16.0078","0.0007","12.0749","0.0007","90","","94.068","0.006","90","","1853.23","0.17","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Co0.5 O3 -","- C17 H15 Co0.5 O3 -","- C68 H60 Co2 O12 -","4","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","1.54184","CuKα","","0.0608","0.0489","","","0.1398","0.149","","","","","","0.9725","","","","has coordinates","238426","2020-10-21","18:00:00",""
"1555253","7.379","0.0005","14.8543","0.001","16.8845","0.001","90","","90","","90","","1850.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H8.64 O2 -","- C13 H8.646 O2 -","- C104 H69.168 O16 -","8","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Shaw, Bikash Kumar; Vaidya, Shefali; Pariyar, Anand; Vijaykumar, Gonela; Adhikari, Debashis; Mandal, Swadhin K.","Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction.","Chemical science","2019","10","31","7433","7441","10.1039/c9sc02057h","","x-ray","0.71073","MoKα","","0.0526","0.043","","","0.104","0.111","","","","","","1.054","","","","has coordinates,has disorder","238426","2020-10-21","18:00:00",""
"1555255","7.243","0.0017","12.882","0.002","23.908","0.006","90","","90","","90","","2230.7","0.8","250","2","250","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C12 H14 B2 F8 Fe N6 O2 -","- C12 H14 B2 F8 Fe N6 O2 -","- C48 H56 B8 F32 Fe4 N24 O8 -","4","0.25","","Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez","A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout.","Chemical science","2019","10","27","6612","6616","10.1039/c9sc02522g","","","0.71073","MoKα","","0.1058","0.0897","","","0.252","0.2711","","","","","","1.056","","","","has coordinates","238428","2020-10-21","18:00:00",""
"1555259","11.4074","0.0005","11.4074","0.0005","11.4074","0.0005","90","","90","","90","","1484.43","0.11","200","","200","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- C14 H20 O16.75 -","- C14 H19.9992 O16.7492 -","- C28 H39.9984 O33.4984 -","2","0.0833333","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0928","0.0859","","","0.2151","0.2255","","","","","","1.196","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555260","16.4008","0.0015","16.4008","0.0015","22.397","0.002","90","","90","","90","","6024.5","0.9","100","","100","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C15 H18 O8.25 -","- C15 H18 O8.25 -","- C240 H288 O132 -","16","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0686","0.0549","","","0.1517","0.1635","","","","","","1.053","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555261","16.238","0.0002","16.238","0.0002","22.3825","0.0003","90","","90","","90","","5901.65","0.13","100.01","0.1","100","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C60 H72 O24 -","- C60 H72 O24 -","- C240 H288 O96 -","4","0.25","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0639","0.0511","","","0.1334","0.1421","","","","","","1.064","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555262","7.3713","0.0011","22.951","0.004","23.585","0.004","90","","90","","90","","3990.1","1.1","200","","200","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C20 H28.9 O8 -","- C14 O8 -","- C112 O64 -","8","0.25","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1034","0.0634","","","0.183","0.2143","","","","","","1.039","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555263","3.596","0.0009","8.934","0.002","17.937","0.004","77.839","0.007","86.729","0.007","88.967","0.007","562.4","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10.5 O8.25 -","- C9 H8 O8.25 -","- C18 H16 O16.5 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.147","0.0676","","","0.1598","0.1898","","","","","","0.916","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555264","16.429","0.003","16.429","0.003","7.358","0.0012","90","","90","","90","","1986","0.6","200","","200","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- C20.02 H28.86 O8 -","- C20.032 H16 O8 -","- C80.128 H64 O32 -","4","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0842","0.065","","","0.185","0.1993","","","","","","1.135","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555265","27.254","0.003","16.726","0.0016","6.7365","0.0006","90","","100.207","0.003","90","","3022.2","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 O7 -","- C15 H15.5 O7 -","- C120 H124 O56 -","8","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0943","0.0731","","","0.225","0.2492","","","","","","1.065","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555266","26.075","0.002","16.4837","0.0012","3.6749","0.0003","90","","95.076","0.002","90","","1573.3","0.2","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O6 -","- C9 H6 O6 -","- C36 H24 O24 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0547","0.0406","","","0.1101","0.1206","","","","","","1.042","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555267","26.24","0.005","16.529","0.003","3.7452","0.0007","90","","96.283","0.006","90","","1614.6","0.5","350","","350","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O6 -","- C9 H6 O6 -","- C36 H24 O24 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0622","0.0423","","","0.119","0.1342","","","","","","1.02","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555268","25.869","0.004","16.419","0.003","3.606","0.0006","90","","93.617","0.004","90","","1528.6","0.4","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H6 O13.5 -","- C9 H6 O13.5 -","- C36 H24 O54 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0727","0.0688","","","0.1992","0.2049","","","","","","1.07","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555269","9.1671","0.0017","9.4589","0.0018","9.6179","0.0017","93.22","0.005","116.28","0.005","118.728","0.005","616.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C24 H28 O14 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0759","0.0486","","","0.1107","0.1203","","","","","","0.912","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555270","10.5024","0.00006","15.8859","0.00007","16.6093","0.00007","113.726","0.0004","98.448","0.0004","106.802","0.0004","2316.46","0.02","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H38 O20 -","- C51 H38 O20 -","- C102 H76 O40 -","2","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.6889","","","0.0559","0.0429","","","0.1345","0.1429","","","","","","1.1","","","","has coordinates","238432","2020-10-21","18:00:00",""
"1555271","25.768","0.004","16.425","0.002","3.6006","0.0005","90","","93.333","0.004","90","","1521.3","0.4","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C9 H16.75 O11.38 -","- C9 H6 O11.375 -","- C36 H24 O45.5 -","4","0.5","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1014","0.0887","","","0.2374","0.2458","","","","","","1.785","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555272","16.523","0.0016","16.523","0.0016","19.4","0.002","90","","90","","120","","4586.8","0.8","100","","100","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C18 H12 O20 -","- C18 H12 O20 -","- C108 H72 O120 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.1344","0.0777","","","0.1893","0.2266","","","","","","0.981","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555273","11.4331","0.0008","11.4331","0.0008","11.4312","0.0008","90","","90","","90","","1494.24","0.18","200","","200","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","","","- C14 H20 O25.5 -","- C14 H19.9996 O25.4992 -","- C28 H39.9992 O50.9984 -","2","0.125","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.086","0.076","","","0.1852","0.2009","","","","","","1.142","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555274","16.5141","0.0006","16.5141","0.0006","9.7096","0.0004","90","","90","","120","","2293.2","0.15","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9 H10 O8 -","- C9 H6 O8 -","- C54 H36 O48 -","6","1","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.074","0.0638","","","0.2062","0.2217","","","","","","1.062","","","","has coordinates,has disorder","238432","2020-10-21","18:00:00",""
"1555275","19.0126","0.0017","9.6004","0.0008","27.383","0.002","90","","90.563","0.002","90","","4997.9","0.7","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C192 H224 O112 -","16","2","","Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I.","Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights","Chemical Science","2019","10","43","9988","","10.1039/C9SC02832C","","x-ray","0.71073","MoKα","","0.0687","0.0564","","","0.1501","0.1624","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555282","15.092","0.0012","15.092","0.0012","98.494","0.007","90","","90","","90","","22434","3","173","2","173.15","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C57 H28 O16 Zr3 -","- C63 O16 Zr3 -","- C504 O128 Zr24 -","8","0.25","","Zhang, Yingmu; Pang, Jiandong; Li, Jialuo; Yang, Xinyu; Feng, Mingbao; Cai, Peiyu; Zhou, Hong-Cai","Visible-light harvesting pyrene-based MOFs as efficient ROS generators","Chemical Science","2019","10","36","8455","","10.1039/C9SC03080H","","","1.54184","CuKα","","0.1655","0.1121","","","0.319","0.3561","","","","","","1.056","","","","has coordinates","238434","2020-10-21","18:00:00",""
"1555285","10.994","0.006","13.807","0.007","23.317","0.01","90","","97.29","0.03","90","","3511","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Mo N P2 -","- C37 H39 Mo N P2 -","- C148 H156 Mo4 N4 P8 -","4","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0422","0.031","","","0.065","0.0683","","","","","","1.03","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555286","13.5747","0.0004","14.527","0.0004","15.6334","0.0005","90","","103.04","0.002","90","","3003.4","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N P2 W -","- C37 H39 N P2 W -","- C148 H156 N4 P8 W4 -","4","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0467","0.0301","","","0.0579","0.0642","","","","","","1.047","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555287","11.1529","0.001","12.0142","0.0012","14.645","0.0015","100.12","0.004","101.056","0.004","90.987","0.004","1893.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Mo N O4 P2 -","- C43 H47 Mo N O4 P2 -","- C86 H94 Mo2 N2 O8 P4 -","2","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.1047","0.1098","","","","","","1.044","","","","has coordinates,has disorder","238437","2020-10-21","18:00:00",""
"1555288","35.714","0.003","16.098","0.0013","15.0574","0.0012","90","","111.571","0.002","90","","8050.6","1.1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H39 Cl4 N O2 P2 W -","- C38 H39 Cl4 N O2 P2 W -","- C304 H312 Cl32 N8 O16 P16 W8 -","8","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0804","0.0677","","","0.1481","0.156","","","","","","1.192","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555289","13.1562","0.0007","14.2402","0.0007","21.7973","0.0012","74.258","0.002","74.58","0.002","65.252","0.002","3514.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Mo N O2 P2 -","- C43 H43 Mo N O2 P2 -","- C172 H172 Mo4 N4 O8 P8 -","4","2","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0595","0.0431","","","0.105","0.116","","","","","","1.055","","","","has coordinates","238437","2020-10-21","18:00:00",""
"1555290","11.1247","0.0005","11.9967","0.0006","14.6407","0.0007","100.37","0.002","100.905","0.002","90.773","0.002","1885.03","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 N O4 P2 W -","- C43 H47 N O4 P2 W -","- C86 H94 N2 O8 P4 W2 -","2","1","","Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto","Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands","Chemical Science","2019","10","37","8541","","10.1039/C9SC03225H","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0557","0.0577","","","","","","1.093","","","","has coordinates,has disorder","238437","2020-10-21","18:00:00",""
"1555292","9.501","0.003","16.731","0.005","9.633","0.002","90","","99.37","0.03","90","","1510.8","0.7","295.5","0.2","295.5","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Wen, Si; Lv, Weiwei; Ba, Dan; Liu, Jing; Cheng, Guolin","Ruthenium(ii)-catalyzed chemoselective deacylative annulation of 1,3-diones with sulfoxonium ylides via C‒C bond activation","Chemical Science","2019","10","39","9104","","10.1039/C9SC03245B","","x-ray","0.71073","MoKα","","0.1319","0.0932","","","0.2108","0.2718","","","","","","0.971","","","","has coordinates,has disorder","238439","2020-10-21","18:00:00",""
"1555295","8.0816","0.0008","12.3906","0.0012","12.9013","0.0011","97.876","0.004","106.389","0.004","104.083","0.004","1172.4","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H21 I3 N3 O2 Pb -","- C12 H21 I3 N3 O2 Pb -","- C24 H42 I6 N6 O4 Pb2 -","2","1","","Peng, Yong; Albero, Josep; Álvarez, Eleuterio; García, Hermenegildo","Hybrid benzidinium lead iodide perovskites with a 1D structure as photoinduced electron transfer photocatalysts","Sustainable Energy & Fuels","2019","3","9","2356","","10.1039/C9SE00182D","","","0.71073","MoKα","","0.0415","0.0374","","","0.1253","0.1303","","","","","","1.07","","","","has coordinates,has disorder","238442","2020-10-21","18:00:00",""
"1555297","14.9558","0.0003","15.4562","0.0004","19.3998","0.0005","90","","90","","90","","4484.45","0.19","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H35 B N3 O P Ru -","- C20 H35 B N3 O P Ru -","- C160 H280 B8 N24 O8 P8 Ru8 -","8","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","0.71073","MoKα","","0.0372","0.0265","","","0.0538","0.0586","","","","","","1.017","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555298","10.512","0.005","12.577","0.006","16.003","0.006","90","","108.396","0.005","90","","2007.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H53 N3 O P2 Ru -","- C45 H53 N3 O P2 Ru -","- C90 H106 N6 O2 P4 Ru2 -","2","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","1.5418","CuKα","","0.0715","0.0586","","","0.1488","0.1681","","","","","","1.043","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555299","8.4345","0.0003","14.1852","0.0003","20.2401","0.0005","79.305","0.002","86.313","0.002","81.975","0.002","2354.42","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 N4 O P Ru -","- C22 H33 N4 O P Ru -","- C88 H132 N16 O4 P4 Ru4 -","4","2","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","1.54184","CuKα","","0.0479","0.0347","","","0.0786","0.085","","","","","","1.002","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555302","16.8658","0.0008","24.1932","0.0007","9.164","0.0005","90","","100.116","0.005","90","","3681.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 S14 -","- C76 H92 S14 -","- C152 H184 S28 -","2","0.5","","Krishnan Jagadamma, Lethy; Taylor, Rupert G. D.; Kanibolotsky, Alexander L.; Sajjad, Muhammad Tariq; Wright, Iain A.; Horton, Peter N.; Coles, Simon J.; Samuel, Ifor D. W.; Skabara, Peter J.","Highly efficient fullerene and non-fullerene based ternary organic solar cells incorporating a new tetrathiocin-cored semiconductor","Sustainable Energy & Fuels","2019","3","8","2087","","10.1039/C9SE00343F","","x-ray","0.71073","MoKα","","0.1299","0.0688","","","0.1716","0.2043","","","","","","1.017","","","","has coordinates,has disorder","238447","2020-10-21","18:00:00",""
"1556086","28.1498","0.0007","17.1737","0.0003","30.4308","0.0007","90","","90","","90","","14711.4","0.6","100.01","0.1","100.01","0.1","","","","","","","","8","P b c n","-P 2n 2ab","60","","[Ag10H8(dppa)6](BF4)2","","- C148 H134 Ag10 B2 Cl8 F8 N6 P12 -","- C148 H134 Ag10 B2 Cl8 F8 N6 P12 -","- C592 H536 Ag40 B8 Cl32 F32 N24 P48 -","4","0.5","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","","1.54184","CuKα","","0.1637","0.121","","","0.3062","0.3495","","","","","","1.063","","","","has coordinates","242767","2020-10-21","18:00:00",""
"1556087","12.7413","0.0001","12.9234","0.0001","20.9538","0.0001","90","","89.975","0.001","90","","3450.27","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","[Ag2(dppa)3](NO3)2","","- C37 H33.5 Ag Cl2 N2 O1.5 P3 -","- C37 H33.5 Ag Cl2 N2 O1.5 P3 -","- C148 H134 Ag4 Cl8 N8 O6 P12 -","4","1","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.1011","0.1017","","","","","","1.078","","","","has coordinates,has disorder","242767","2020-10-21","18:00:00",""
"1556088","16.0687","0.0003","13.7323","0.0002","16.9464","0.0003","90","","113.932","0.002","90","","3417.91","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ag3Cl2(dppa)3](NO3)","","- C72 H63 Ag3 Cl2 N4 O3 P6 -","- C72 H63 Ag3 Cl2 N4 O3 P6 -","- C144 H126 Ag6 Cl4 N8 O6 P12 -","2","1","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","x-ray","1.54184","CuKα","","0.0388","0.0381","","","0.1017","0.1029","","","","","","1.067","","","","has coordinates","242767","2020-10-21","18:00:00",""
"1556089","8.808","0.0002","10.8055","0.0002","11.8361","0.0003","77.075","0.002","76.867","0.002","77.521","0.002","1052.91","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","[Ag2(Ph2PNPPh2)2]","","- C24 H20 Ag N P2 -","- C24 H20 Ag N P2 -","- C48 H40 Ag2 N2 P4 -","2","1","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0857","0.0863","","","","","","1.058","","","","has coordinates,has disorder","242767","2020-10-21","18:00:00",""
"1556090","16.5395","0.0001","24.4469","0.0001","38.1398","0.0002","90","","90","","90","","15421.4","0.14","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Ag10H8(dppa)6](NO3)2","","- C154 H142 Ag10 N11 O9.5 P12 -","- C154 H142 Ag10 N11 O9.5 P12 -","- C616 H568 Ag40 N44 O38 P48 -","4","1","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","","1.54184","CuKα","","0.0526","0.0486","","","0.133","0.1368","","","","","","1.037","","","","has coordinates,has disorder","242767","2020-10-21","18:00:00",""
"1556091","13.9166","0.0002","26.445","0.0004","19.7632","0.0003","90","","103.535","0.0015","90","","7071.35","0.19","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","[Ag3Cl2(dppa)3](BF4)","","- C72 H63 Ag3 B Cl2 F4 N3 P6 -","- C72 H63 Ag3 B Cl2 F4 N3 P6 -","- C288 H252 Ag12 B4 Cl8 F16 N12 P24 -","4","2","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","x-ray","1.54184","CuKα","","0.0592","0.0565","","","0.1516","0.1542","","","","","","1.06","","","","has coordinates,has disorder","242767","2020-10-21","18:00:00",""
"1556260","10.5277","0.0003","18.7745","0.0006","16.6567","0.0007","90","","90","","90","","3292.2","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Zhang, Shanwen; Xie, Qing; Sun, Changli; Tian, Xin-Peng; Gui, Chun; Qin, Xiangjing; Zhang, Hua; Ju, Jianhua","Cytotoxic Kendomycins Containing the Carbacylic <i>Ansa</i> Scaffold from the Marine-Derived <i>Verrucosispora</i> sp. SCSIO 07399.","Journal of natural products","2019","","","","","10.1021/acs.jnatprod.9b00654","","x-ray","1.54184","CuKα","","0.0703","0.0593","","","0.1683","0.1776","","","","","","1.086","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1556407","7.3633","0.0013","12.0641","0.0016","8.9185","0.0019","90","","103.738","0.013","90","","769.6","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1-Nitro-4-(1-propyn-1-yl)benzene","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","0.5","HB4327","Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge","1-Nitro-4-(1-propyn-1-yl)benzene","IUCrData","2019","4","11","x191585","","10.1107/S2414314619015852","","","1.54178","CuKα","","0.0733","0.0569","","","0.1599","0.1785","","","","","","1.13","","","","has coordinates,has Fobs","244834","2020-10-21","18:00:00",""
"1556408","6.2991","0.0005","6.2991","0.0005","11.4659","0.001","90","","90","","90","","454.95","0.06","100","","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Rubidium tetrafluoridobromate(III)","Rubidium tetrafluoridobromate(III)","","- Br F4 Rb -","- Br F4 Rb -","- Br4 F16 Rb4 -","4","0.125","WM4118","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data","IUCrData","2019","4","11","","","10.1107/S2414314619015955","","","0.71073","MoKα","","0.0507","0.0203","","","0.0327","0.0378","","","","","","1.064","","","","has coordinates,has Fobs","244835","2020-10-21","18:00:00",""
"1556416","11.0971","0.0002","12.3679","0.0003","17.5421","0.0003","108.547","0.0018","98.9702","0.0017","95.1342","0.0017","2229.65","0.08","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H69 N3 O5 -","- C49 H69 N3 O5 -","- C98 H138 N6 O10 -","2","1","","Yoshida, Jun; Bozek, Kevin J. A.; Thompson, John R.; Williams, Vance E.","Competing forces in the self-assembly of amide-functionalized discotic mesogens","Soft Matter","2019","","","","","10.1039/C9SM01435G","","x-ray","1.54184","CuKα","","0.0918","0.0699","","","0.1888","0.2062","","","","","","1.069","","","","has coordinates","244881","2020-10-21","18:00:00",""
"1556417","9.331","0.0002","9.4169","0.0002","14.0477","0.0003","90.693","0.002","103.321","0.002","113.757","0.002","1091.71","0.05","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H29 B9 O4 Ru -","- C16 H29 B9 O4 Ru -","- C32 H58 B18 O8 Ru2 -","2","1","","Gozzi, M.; Schwarze, B.; Coburger, P.; Hey-Hawkins, E.","On the Aqueous Solution Behavior of C-Substituted 3,1,2-Ruthenadicarbadodecaboranes","Inorganics","2019","7","","91","","10.3390/inorganics7070091","","","0.71073","MoKα","","0.0311","0.0257","","","0.0581","0.0603","","","","","","1.063","","","","has coordinates","244884","2020-10-21","18:00:00",""
"1556418","10.135","0.009","18.687","0.014","19.155","0.015","90","","104.73","0.02","90","","3509","5","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Al B2 N4 -","- C31 H55 Al B2 N4 -","- C124 H220 Al4 B8 N16 -","4","1","","Weetman, C.; Ito, N.; Unno, M.; Hanusch, F.; Inoue, S.","NHI- and NHC-Supported Al(III) Hydrides for Amine-Borane Dehydrocoupling Catalysis","Inorganics","2019","7","","92","","10.3390/inorganics7080092","","x-ray","0.71073","MoKα","","0.0877","0.0574","","","0.1194","0.1319","","","","","","1.059","","","","has coordinates,has disorder","244885","2020-10-21","18:00:00",""
"1556419","11.90994","0.00006","13.21619","0.00007","26.83905","0.00013","90","","97.6274","0.0004","90","","4187.2","0.04","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 B Cu N P S -","- C23 H22 B Cu N P S -","- C184 H176 B8 Cu8 N8 P8 S8 -","8","1","","Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.","Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units","Inorganics","2019","7","","93","","10.3390/inorganics7080093","","x-ray","1.54178","CuKα","","0.0246","0.0244","","","0.0662","0.0664","","","","","","1.072","","","","has coordinates,has disorder","244886","2020-10-21","18:00:00",""
"1556420","8.1672","0.0001","9.3837","0.0001","17.2612","0.0002","96.939","0.001","95.617","0.001","112.373","0.001","1199.33","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H40 B Cu N P S -","- C23 H40 B Cu N P S -","- C46 H80 B2 Cu2 N2 P2 S2 -","2","1","","Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.","Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units","Inorganics","2019","7","","93","","10.3390/inorganics7080093","","x-ray","1.54178","CuKα","","0.0239","0.0236","","","0.0625","0.0628","","","","","","1.052","","","","has coordinates,has disorder","244887","2020-10-21","18:00:00",""
"1556421","16.0206","0.0003","24.7785","0.0005","16.9022","0.0004","90","","90","","90","","6709.6","0.2","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H47 Al N2 -","- C39 H47 Al N2 -","- C312 H376 Al8 N16 -","8","1","","Ito, S.; Tanaka, K.; Chujo, Y.","Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand","Inorganics","2019","7","","100","","10.3390/inorganics7080100","","","0.71075","MoKα","","0.0535","0.0428","","","0.1001","0.1055","","","","","","1.048","","","","has coordinates","244893","2020-10-21","18:00:00",""
"1556422","14.4924","0.001","11.1385","0.0007","22.2237","0.0013","90","","91.562","0.007","90","","3586.1","0.4","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl2 Cu N6 O12 -","- C28 H38 Cl2 Cu N6 O12 -","- C112 H152 Cl8 Cu4 N24 O48 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0686","0.0576","","","0.1686","0.1804","","","","","","1.117","","","","has coordinates","244894","2020-10-21","18:00:00",""
"1556423","10.2921","0.0004","15.7544","0.0004","15.3205","0.0005","90","","106.641","0.004","90","","2380.11","0.14","301","3","301","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cl2 Cu N10 O10 -","- C46 H46 Cl2 Cu N10 O10 -","- C92 H92 Cl4 Cu2 N20 O20 -","2","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0914","0.0951","","","","","","1.024","","","","has coordinates","244895","2020-10-21","18:00:00",""
"1556424","12.9264","0.0005","11.1702","0.0004","15.0564","0.001","90","","106.559","0.006","90","","2083.84","0.19","301.2","0.8","301.2","0.8","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H36 Cl2 Cu N8 O11 -","- C40 H36 Cl2 Cu N8 O11 -","- C80 H72 Cl4 Cu2 N16 O22 -","2","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0522","0.0473","","","0.1279","0.1334","","","","","","1.081","","","","has coordinates","244896","2020-10-21","18:00:00",""
"1556425","17.9524","0.0017","11.0913","0.0007","16.3512","0.0015","90","","100.154","0.008","90","","3204.8","0.5","299.6","0.6","299.6","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H34 Cl2 Cu N4 O12 S2 -","- C20 H34 Cl2 Cu N4 O12 S2 -","- C80 H136 Cl8 Cu4 N16 O48 S8 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0427","0.034","","","0.0843","0.0902","","","","","","1.035","","","","has coordinates,has disorder","244897","2020-10-21","18:00:00",""
"1556426","12.1642","0.0012","12.1642","0.0012","26.953","0.003","90","","90","","90","","3988.2","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 Th -","- C38 H58 P2 Si2 Th -","- C152 H232 P8 Si8 Th4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0229","0.0203","","","0.0416","0.0424","","","","","","1.077","","","","has coordinates","244923","2020-10-21","18:00:00",""
"1556427","12.0767","0.0011","12.0767","0.0011","26.931","0.003","90","","90","","90","","3927.8","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 U -","- C38 H58 P2 Si2 U -","- C152 H232 P8 Si8 U4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0212","0.0166","","","0.032","0.033","","","","","","0.983","","","","has coordinates","244924","2020-10-21","18:00:00",""
"1556428","10.0829","0.001","33.981","0.003","10.7807","0.0011","90","","107.839","0.0017","90","","3516.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 N2 P Th -","- C36 H53 N2 P Th -","- C144 H212 N8 P4 Th4 -","4","1","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0747","0.0594","","","0.1114","0.1147","","","","","","1.36","","","","has coordinates,has disorder","244925","2020-10-21","18:00:00",""
"1556429","10.0337","0.0004","33.6762","0.0014","10.7644","0.0004","90","","107.477","0.001","90","","3469.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 N2 P U -","- C36 H53 N2 P U -","- C144 H212 N8 P4 U4 -","4","1","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0376","0.0264","","","0.0437","0.0459","","","","","","1.062","","","","has coordinates","244926","2020-10-21","18:00:00",""
"1556430","6.9224","0.0007","8.8551","0.0009","21.377","0.002","90","","90","","90","","1310.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O -","- C20 H13 N O -","- C80 H52 N4 O4 -","4","1","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.028","0.0268","","","0.0709","0.0719","","","","","","1.059","","","","has coordinates","244927","2020-10-21","18:00:00",""
"1556431","34.0652","0.0003","34.0652","0.0003","18.1656","0.0002","90","","90","","120","","18255.9","0.3","83","2","83","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C1064.7 H599.4 Al18 Cl5.4 N72 O54 -","3","0.166667","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.78224","synchrotron","","0.0957","0.0791","","","0.2134","0.2317","","","","","","1.124","","","","has coordinates,has disorder","244928","2020-10-21","18:00:00",""
"1556432","19.195","0.003","8.503","0.0013","30.611","0.005","90","","90","","90","","4996.2","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C264 H208 N16 O24 -","8","2","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.0659","0.0455","","","0.1057","0.1185","","","","","","1.013","","","","has coordinates,has disorder","244929","2020-10-21","18:00:00",""
"1556433","7.354","0.004","7.723","0.004","12.601","0.006","94.767","0.007","98.204","0.007","115.566","0.006","630.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 Al N2 S2 -","- C10 H20 Al N2 S2 -","- C20 H40 Al2 N4 S4 -","2","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","","0.71073","MoKα","","0.1185","0.0733","","","0.1248","0.1386","","","","","","1.25","","","","has coordinates","244930","2020-10-21","18:00:00",""
"1556434","7.3341","0.0005","7.6637","0.0005","12.6658","0.0009","94.557","0.002","98.228","0.002","114.796","0.002","631.86","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cl Ga N2 S2 -","- C9 H18 Cl Ga N2 S2 -","- C18 H36 Cl2 Ga2 N4 S4 -","2","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54178","CuKα","","0.05","0.0498","","","0.1389","0.1392","","","","","","1.04","","","","has coordinates","244931","2020-10-21","18:00:00",""
"1556435","12.7424","0.0006","7.3373","0.0003","15.3561","0.0007","90","","114.107","0.001","90","","1310.5","0.1","143","2","143.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl In N2 S2 -","- C9 H18 Cl In N2 S2 -","- C36 H72 Cl4 In4 N8 S8 -","4","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54178","CuKα","","0.0277","0.0275","","","0.0716","0.072","","","","","","1.198","","","","has coordinates","276143","2022-06-22","06:24:15",""
"1556436","8.2266","0.0011","19.245","0.002","12.8581","0.0018","90","","95.932","0.008","90","","2024.8","0.4","100","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Ga N2 O5 S2 W -","- C14 H18 Cl Ga N2 O5 S2 W -","- C56 H72 Cl4 Ga4 N8 O20 S8 W4 -","4","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54184","CuKα","","0.0344","0.032","","","0.0781","0.08","","","","","","1.026","","","","has coordinates,has disorder","244933","2020-10-21","18:00:00",""
"1556437","18.7674","0.0009","18.103","0.0008","17.593","0.0007","90","","90","","90","","5977.2","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 Co N4 Si4 -","- C22 H44 Co N4 Si4 -","- C176 H352 Co8 N32 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0307","0.028","","","0.067","0.0679","","","","","","1.014","","","","has coordinates","244934","2020-10-21","18:00:00",""
"1556438","10.8097","0.0005","13.2648","0.0006","19.9051","0.001","77.712","0.002","80.199","0.002","83.606","0.002","2739.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Co K N4 O8 Si4 -","- C42 H84 Co K N4 O8 Si4 -","- C84 H168 Co2 K2 N8 O16 Si8 -","2","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.0779","0.042","","","0.0738","0.083","","","","","","1.017","","","","has coordinates,has disorder","244935","2020-10-21","18:00:00",""
"1556439","11.6269","0.0002","21.5546","0.0004","21.856","0.0004","95.633","0.002","89.892","0.001","90.377","0.002","5450.83","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Cr K N4 O8 Si4 -","- C42 H84 Cr K N4 O8 Si4 -","- C168 H336 Cr4 K4 N16 O32 Si16 -","4","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0675","0.0563","","","0.1447","0.1502","","","","","","1.075","","","","has coordinates","244936","2020-10-21","18:00:00",""
"1556440","10.8613","0.0005","13.2627","0.0006","19.8669","0.0009","77.597","0.001","80.062","0.002","83.452","0.002","2744.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Fe K N4 O8 Si4 -","- C42 H84 Fe K N4 O8 Si4 -","- C84 H168 Fe2 K2 N8 O16 Si8 -","2","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.0384","0.028","","","0.0634","0.0675","","","","","","1.06","","","","has coordinates,has disorder","244937","2020-10-21","18:00:00",""
"1556441","34.8403","0.0017","18.4715","0.0011","14.5302","0.0008","90","","96.555","0.004","90","","9289.8","0.9","150","","150","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H68 K Mn N4 O6 Si4 -","- C34 H68 K Mn N4 O6 Si4 -","- C272 H544 K8 Mn8 N32 O48 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0512","0.0368","","","0.0753","0.0786","","","","","","0.911","","","","has coordinates,has disorder","244938","2020-10-21","18:00:00",""
"1556442","12.1899","0.0007","18.4365","0.001","22.8273","0.0013","90","","95.423","0.002","90","","5107.2","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 K N4 O7 Si4 Zn -","- C38 H78 K N4 O7 Si4 Zn -","- C152 H312 K4 N16 O28 Si16 Zn4 -","4","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.1506","0.1281","","","0.2499","0.2596","","","","","","1.086","","","","has coordinates,has disorder","244939","2020-10-21","18:00:00",""
"1556443","18.8806","0.0012","18.056","0.0013","17.6133","0.0017","90","","90","","90","","6004.5","0.8","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 N4 Si4 Zn -","- C22 H44 N4 Si4 Zn -","- C176 H352 N32 Si32 Zn8 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0445","0.034","","","0.07","0.0718","","","","","","0.969","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556444","9.2195","0.0006","5.7344","0.0004","32.1204","0.0016","90","","93.209","0.003","90","","1695.49","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 I2 N8 O8 S2 -","- C32 H18 I2 N8 O8 S2 -","- C64 H36 I4 N16 O16 S4 -","2","0.5","","Hardin, A.E.S.; Ellington, T.L.; Nguyen, S.T.; Rheingold, A.L.; Tschumper, G.S.; Watkins, D.L.; Hammer, N.I.","A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors","Inorganics","2019","7","","119","","10.3390/inorganics7100119","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0438","","","0.1022","0.104","","","","","","1.164","","","","has coordinates,has disorder","244941","2020-10-21","18:00:00",""
"1556445","6.9398","0.001","16.126","0.002","18.517","0.003","79.34","0.004","80.01","0.004","89.242","0.004","2005.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 I N4 O5 -","- C16 H9 I N4 O5 -","- C64 H36 I4 N16 O20 -","4","2","","Hardin, A.E.S.; Ellington, T.L.; Nguyen, S.T.; Rheingold, A.L.; Tschumper, G.S.; Watkins, D.L.; Hammer, N.I.","A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors","Inorganics","2019","7","","119","","10.3390/inorganics7100119","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.0484","","","0.1119","0.122","","","","","","1.043","","","","has coordinates","244942","2020-10-21","18:00:00",""
"1556565","12.768","0.004","15.562","0.005","16.092","0.004","66.535","0.006","81.889","0.005","74.185","0.006","2820","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H87 F22 Ir4 N20 O9 P -","- C122 H81 F22 Ir4 N20 O9 P -","- C122 H81 F22 Ir4 N20 O9 P -","1","0.5","","Gao, Tai-Bao; Zhang, Jing-JIng; Wen, Jing; Yang, Xue-Xiao; Ma, Haibo; Cao, Deng-Ke; Jiang, Dechen","Single-molecule MicroRNA Electrochemiluminescence Detection Using Cyclometalated Dinuclear Ir(III) Complex with Synergistic Effect.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b04431","","","0.71073","MoKα","","0.1036","0.0543","","","0.1152","0.1272","","","","","","1","","","","has coordinates","245084","2020-10-21","18:00:00",""
"1556566","10.273","0.002","10.772","0.002","29.566","0.006","90","","96.413","0.007","90","","3251.3","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 F4 Ir N8 O -","- C38 H23 F4 Ir N8 O -","- C152 H92 F16 Ir4 N32 O4 -","4","1","","Gao, Tai-Bao; Zhang, Jing-JIng; Wen, Jing; Yang, Xue-Xiao; Ma, Haibo; Cao, Deng-Ke; Jiang, Dechen","Single-molecule MicroRNA Electrochemiluminescence Detection Using Cyclometalated Dinuclear Ir(III) Complex with Synergistic Effect.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b04431","","","0.71073","MoKα","","0.0964","0.0599","","","0.1314","0.1457","","","","","","1.013","","","","has coordinates","245085","2020-10-21","18:00:00",""
"1556567","6.3628","0.0003","11.7561","0.0004","35.3232","0.0013","90","","90","","90","","2642.24","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C120 H192 O18 -","6","3","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54178","CuKα","","0.0551","0.0541","","","0.1445","0.1451","","","","","","1.033","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556568","12.7615","0.0001","23.2559","0.0002","12.8688","0.0001","90","","90.966","0.001","90","","3818.66","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O6 -","- C20 H34 O6 -","- C160 H272 O48 -","8","4","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","x-ray","1.54184","CuKα","","0.0336","0.0315","","","0.079","0.08","","","","","","1.059","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556569","22.86913","0.00011","10.48269","0.00004","8.06194","0.00003","90","","90","","90","","1932.69","0.014","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C40 H70 O13 -","- C40 H70 O13 -","- C80 H140 O26 -","2","0.5","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","x-ray","1.54184","CuKα","","0.0259","0.0258","","","0.0688","0.0688","","","","","","1.041","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556570","9.247","0.005","9.247","0.005","42.695","0.007","90","","90","","90","","3651","3","298","2","298","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","1","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54184","CuKα","","0.0833","0.0817","","","0.2185","0.2204","","","","","","1.064","","","","has coordinates,has disorder","246571","2020-10-21","18:00:00",""
"1556571","6.5625","0.0002","17.9101","0.0005","9.5523","0.0003","90","","100.924","0.001","90","","1102.39","0.06","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C46 H76 O16 -","2","1","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54178","CuKα","","0.0268","0.0268","","","0.0724","0.0725","","","","","","1.075","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556572","6.4945","0.0003","11.4293","0.0005","24.7998","0.0011","90","","90","","90","","1840.83","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C80 H136 O20 -","4","1","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54178","CuKα","","0.0355","0.0313","","","0.0742","0.0769","","","","","","1.045","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556573","15.4343","0.0005","16.0851","0.0005","8.1341","0.0002","90","","90","","90","","2019.39","0.1","223","2","223","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C21 H21 Br O6 -","- C21 H21 Br O6 -","- C84 H84 Br4 O24 -","4","1","","Wang, Weihong; Park, Chanyoon; Oh, Eunseok; Sung, Youjung; Lee, Jusung; Park, Kyu-Hyung; Kang, Heonjoong","Benzophenone Compounds, from a Marine-Derived Strain of the Fungus <i>Pestalotiopsis neglecta</i>, Inhibit Proliferation of Pancreatic Cancer Cells by Targeting the MEK/ERK Pathway.","Journal of natural products","2019","82","12","3357","3365","10.1021/acs.jnatprod.9b00646","","","0.71073","MoKα","","0.0655","0.0379","","","0.0732","0.0834","","","","","","1.052","","","","has coordinates","246572","2020-10-21","18:00:00",""
"1556574","10.5708","0.0009","10.6193","0.0008","11.9805","0.0011","86.943","0.002","79.883","0.002","60.207","0.001","1148.05","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C48 H50 N2 O12 S2 -","2","1","","Wang, Dongyang; Wang, Yi; Ouyang, Yinfeng; Fu, Peng; Zhu, Weiming","Cytotoxic <i>p</i>-Terphenyls from a Marine-Derived <i>Nocardiopsis</i> Species.","Journal of natural products","2019","82","12","3504","3508","10.1021/acs.jnatprod.9b00963","","","0.71073","MoKα","","0.0801","0.0498","","","0.1007","0.109","","","","","","1.052","","","","has coordinates","246573","2020-10-21","18:00:00",""
"1556575","8.736","0.00015","16.3578","0.0003","18.2142","0.0003","90","","90","","90","","2602.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N4 O7 S -","- C28 H30 N4 O7 S -","- C112 H120 N16 O28 S4 -","4","1","","Kong, Fan-Dong; Zhang, Sheng-Liang; Zhou, Shuang-Qing; Ma, Qing-Yun; Xie, Qing-Yi; Chen, Jin-Ping; Li, Jiu-Hui; Zhou, Li-Man; Yuan, Jing-Zhe; Hu, Zhong; Dai, Hao-Fu; Huang, Xiao-Long; Zhao, You-Xing","Quinazoline-Containing Indole Alkaloids from the Marine-Derived Fungus <i>Aspergillus</i> sp. HNMF114.","Journal of natural products","2019","82","12","3456","3463","10.1021/acs.jnatprod.9b00845","","x-ray","1.54184","CuKα","","0.0318","0.0302","","","0.0752","0.0767","","","","","","1.04","","","","has coordinates","246574","2020-10-21","18:00:00",""
"1556622","14.0474","0.0011","17.4236","0.0014","18.3028","0.0013","90","","109.786","0.002","90","","4215.3","0.6","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cu F6 N O P3 S -","- C45 H41 Cu F6 N O P3 S -","- C180 H164 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C.","Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6]","Inorganics","2019","7","","11","","10.3390/inorganics7010011","","","1.5418","CuKα","","0.0762","0.0743","","0.1728","0.1724","0.1728","","","","","","0.9944","","","","has coordinates,has disorder","245259","2020-10-21","18:00:00",""
"1556623","13.8102","0.0004","18.4985","0.0006","18.0974","0.0006","90","","107.745","0.0016","90","","4403.3","0.2","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 Cu F6 N O P3 S -","- C46 H43 Cu F6 N O P3 S -","- C184 H172 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C.","Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6]","Inorganics","2019","7","","11","","10.3390/inorganics7010011","","","1.54178","CuKα","","0.0617","0.053","","0.1388","0.135","0.1388","","","","","","0.9911","","","","has coordinates","245260","2020-10-21","18:00:00",""
"1556624","9.0847","0.0006","10.5878","0.0008","13.3058","0.0009","70.313","0.003","82.104","0.003","76.733","0.003","1170.35","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C52 H44 N4 O16 S4 -","4","2","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.1101","0.051","","","0.0991","0.1129","","","","","","0.919","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556625","9.5036","0.0004","18.3619","0.0008","11.339","0.0005","90","","91.883","0.002","90","","1977.63","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cu N2 O5 S -","- C20 H20 Cu N2 O5 S -","- C80 H80 Cu4 N8 O20 S4 -","4","1","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71073","MoKα","","0.0594","0.0373","","","0.0759","0.0838","","","","","","1.017","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556626","8.1099","0.0002","29.4538","0.0007","10.5303","0.0003","90","0.0009","109.395","0.0009","90","0.0009","2372.6","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cu N3 O5 S -","- C24 H21 Cu N3 O5 S -","- C96 H84 Cu4 N12 O20 S4 -","4","1","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.0534","0.0398","","","0.0963","0.1028","","","","","","1.007","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556627","7.4426","0.0004","10.2904","0.0006","11.4557","0.0007","75.615","0.002","71.959","0.003","85.198","0.002","808.05","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cu2 N4 O10 S2 -","- C32 H30 Cu2 N4 O10 S2 -","- C32 H30 Cu2 N4 O10 S2 -","1","0.5","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.0371","0.0349","","","0.0932","0.0952","","","","","","1.098","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556628","6.9512","0.0009","18.534","0.002","13.4906","0.0015","90","","100.283","0.003","90","","1710.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cu2 N4 O10 S2 -","- C32 H36 Cu2 N4 O10 S2 -","- C64 H72 Cu4 N8 O20 S4 -","2","0.5","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.1145","0.0526","","","0.0901","0.1035","","","","","","0.92","","","","has coordinates","245261","2020-10-21","18:00:00",""
"1556637","9.0277","0.0006","19.9356","0.0013","9.4811","0.0007","90","","116.169","0.002","90","","1531.43","0.18","173","2","173","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","1,1,3,3-Tetraethyl-5-nitroisoindoline","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","RZ4034","Tapmeyer, Lukas; Beske, Maurice; Plackmeyer, Jörn","1,1,3,3-Tetraethyl-5-nitroisoindoline","IUCrData","2019","4","12","x191629","","10.1107/S2414314619016298","","","1.54178","CuKα","","0.052","0.0512","","","0.1336","0.1344","","","","","","1.086","","","","has coordinates,has Fobs","245313","2020-10-21","18:00:00",""
"1556638","9.9355","0.0005","17.025","0.001","9.7743","0.0006","90","","116.107","0.001","90","","1484.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","","- C9 H11 Mn N5 S3 -","- C9 H11 Mn N5 S3 -","- C36 H44 Mn4 N20 S12 -","4","1","RZ4036","Peppel, Tim; Köckerling, Martin","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","IUCrData","2019","4","12","x191659","","10.1107/S2414314619016596","","","0.71073","MoKα","","0.0405","0.0271","","","0.0605","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","245314","2020-10-21","18:00:00",""
"1556639","7.0679","0.0002","9.6856","0.0004","12.151","0.0005","101.56","0.003","93.302","0.003","111.27","0.004","751.66","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","HB4326","Loke, Shiva Krishna; Pagadala, Eswar; Kottalanka, Ravi K.","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","IUCrData","2019","4","12","x191660","","10.1107/S2414314619016602","","","0.71073","MoKα","","0.0642","0.0498","","","0.132","0.1422","","","","","","1.032","","","","has coordinates,has Fobs","245315","2020-10-21","18:00:00",""
"1556640","8.3765","0.0004","9.2524","0.0004","21.5856","0.0008","92.541","0.003","91.378","0.004","109.089","0.004","1578.08","0.12","298","0.2","298","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 Cl N3 O4 -","- C35 H36 Cl N3 O4 -","- C70 H72 Cl2 N6 O8 -","2","1","","Begum, Nazma; Kaur, Supreet; Xiang, Ying; Yin, Heng; Mohiuddin, Golam; Rao, Nandiraju V. S.; Pal, Santanu Kumar","Photoswitchable Bent-Core Nematic Liquid Crystals with Methylated Azobenzene Wing Exhibiting Optic-Field-Enhanced Fréedericksz Transition Effect","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b09326","","x-ray","0.71073","MoKα","","0.1462","0.07","","","0.1827","0.2598","","","","","","0.984","","","","has coordinates,has disorder","245359","2020-10-21","18:00:00",""
"1556641","8.276","0.0007","9.9957","0.0006","17.6584","0.0019","90.12","0.007","99.083","0.008","95.775","0.006","1434.9","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 Cl N3 O4 -","- C33 H32 Cl N3 O4 -","- C66 H64 Cl2 N6 O8 -","2","1","","Begum, Nazma; Kaur, Supreet; Xiang, Ying; Yin, Heng; Mohiuddin, Golam; Rao, Nandiraju V. S.; Pal, Santanu Kumar","Photoswitchable Bent-Core Nematic Liquid Crystals with Methylated Azobenzene Wing Exhibiting Optic-Field-Enhanced Fréedericksz Transition Effect","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b09326","","x-ray","0.71073","MoKα","","0.0948","0.0623","","","0.1493","0.185","","","","","","1.059","","","","has coordinates","245360","2020-10-21","18:00:00",""
"1556656","31.732","0.002","10.7145","0.0007","17.6302","0.0014","90","","116.019","0.003","90","","5386.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 B Ru2 S5 -","- C23 H35 B Ru2 S5 -","- C184 H280 B8 Ru16 S40 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.0667","0.0409","","","0.0772","0.088","","","","","","1.016","","","","has coordinates","245376","2020-10-21","18:00:00",""
"1556657","34.157","0.0011","8.5558","0.0003","19.8431","0.0008","90","","90","","90","","5799","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H37 B Ru2 S6 -","- C24 H37 B Ru2 S6 -","- C192 H296 B8 Ru16 S48 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.095","0.0456","","","0.069","0.0855","","","","","","0.993","","","","has coordinates","245377","2020-10-21","18:00:00",""
"1556658","8.5681","0.0002","39.1432","0.0009","15.1808","0.0003","90","","95.922","0.001","90","","5064.21","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 B3 Ru2 S2 -","- C21 H34.5 B3 Ru2 S2 -","- C168 H276 B24 Ru16 S16 -","8","2","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.0725","0.042","","","0.0899","0.1018","","","","","","1.016","","","","has coordinates,has disorder","245378","2020-10-21","18:00:00",""
"1556659","25.681","0.003","8.9889","0.0009","18.4468","0.0018","90","","133.511","0.006","90","","3088.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Li2 O6 -","- C24 H52 Cl Cr Li2 O6 -","- C96 H208 Cl4 Cr4 Li8 O24 -","4","0.5","","Ojelere, O.; Graf, D.; Mathur, S.","Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials","Inorganics","2019","7","","22","","10.3390/inorganics7020022","","","0.71073","MoKα","","0.1314","0.0462","","","0.0854","0.1054","","","","","","0.778","","","","has coordinates","245379","2020-10-21","18:00:00",""
"1556660","14.8499","0.0006","10.7574","0.0005","22.6334","0.0011","90","","90.059","0.004","90","","3615.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cr F6 Li N2 O6 -","- C32 H44 Cr F6 Li N2 O6 -","- C128 H176 Cr4 F24 Li4 N8 O24 -","4","1","","Ojelere, O.; Graf, D.; Mathur, S.","Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials","Inorganics","2019","7","","22","","10.3390/inorganics7020022","","","0.71073","MoKα","","0.1149","0.0679","","","0.1627","0.1826","","","","","","1.04","","","","has coordinates","245380","2020-10-21","18:00:00",""
"1556661","29.161","0.003","30.102","0.003","31.045","0.003","90","","102.323","0.002","90","","26624","5","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)","hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)","","- C144 H204 B6 I6 N36 S18 Zn6 -","- C144 H204 B6 I6 N36 S18 Zn6 -","- C576 H816 B24 I24 N144 S72 Zn24 -","4","0.5","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0537","0.0399","","","0.11","0.1151","","","","","","1.134","","","","has coordinates,has disorder","245381","2020-10-21","18:00:00",""
"1556662","10.2147","0.0003","8.6489","0.0002","27.2498","0.0008","90","","96.6196","0.0013","90","","2391.36","0.11","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc","dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc","","- C18 H28 Br2 N4 S2 Zn -","- C18 H28 Br2 N4 S2 Zn -","- C72 H112 Br8 N16 S8 Zn4 -","4","1","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0299","0.0224","","","0.0481","0.05","","","","","","1.046","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556663","16.6456","0.0019","16.9851","0.0019","34.357","0.004","90","","90","","90","","9713.7","1.9","100","2","100","2","","","","","","","synthetical product","7","P 21 21 21","P 2ac 2ab","19","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","","- C36 H54 B Br N8 S4 Zn -","- C36 H54 B Br N8 S4 Zn -","- C288 H432 B8 Br8 N64 S32 Zn8 -","8","2","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0975","0.0526","","","0.116","0.1315","","","","","","1.014","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556664","23.323","0.005","14.555","0.003","17.009","0.007","90","","90","0.01","90","","5774","3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H37 B4 Cr O4 W2 -","- C24 H30 B4 Cr O4 W2 -","- C192 H240 B32 Cr8 O32 W16 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","","0.71073","MoKα","","0.2386","0.0879","","","0.158","0.2215","","","","","","0.997","","","","has coordinates","245382","2020-10-21","18:00:00",""
"1556665","16.3096","0.0016","18.8186","0.0018","19.9272","0.0018","85.532","0.003","71.947","0.003","89.111","0.003","5797.1","1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H30 B4 Mo O4 W2 -","- C24 H30 B4 Mo O4 W2 -","- C192 H240 B32 Mo8 O32 W16 -","8","4","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0458","0.0349","","","0.0819","0.088","","","","","","1.065","","","","has coordinates","245383","2020-10-21","18:00:00",""
"1556666","11.6885","0.0013","16.2795","0.0016","15.0773","0.0017","90","","110.538","0.004","90","","2686.6","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 B4 Fe O3 W2 -","- C23 H38 B4 Fe O3 W2 -","- C92 H152 B16 Fe4 O12 W8 -","4","1","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0421","0.0379","","","0.1175","0.1236","","","","","","1.063","","","","has coordinates","245384","2020-10-21","18:00:00",""
"1556667","19.454","0.002","13.243","0.0011","21.905","0.002","90","","94.494","0.004","90","","5626","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 B4 Cr Mo2 O4 -","- C24 H34 B4 Cr Mo2 O4 -","- C192 H272 B32 Cr8 Mo16 O32 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.1054","0.081","","","0.1827","0.2013","","","","","","1.018","","","","has coordinates","245385","2020-10-21","18:00:00",""
"1556668","16.842","0.0015","19.051","0.002","19.39","0.002","85.443","0.004","79.671","0.003","70.858","0.003","5780.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 B4 O4 W3 -","- C24 H30 B4 O4 W3 -","- C192 H240 B32 O32 W24 -","8","4","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0994","0.088","","","0.1854","0.1952","","","","","","1.135","","","","has coordinates","245386","2020-10-21","18:00:00",""
"1556669","8.9838","0.0002","20.6008","0.0005","19.6703","0.0006","90","","102.45","0.003","90","","3554.84","0.16","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.44 H32.61 Au2 Cl2.84 O1.72 P2 -","- C38.442 H32.605 Au2 Cl2.837 O1.721 P2 -","- C153.768 H130.42 Au8 Cl11.348 O6.884 P8 -","4","1","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","1.54178","CuKα","","0.0386","0.0323","","","0.0765","0.0783","","","","","","0.992","","","","has coordinates,has disorder","245387","2020-10-21","18:00:00",""
"1556670","10.9408","0.0003","13.9559","0.0004","22.9525","0.0008","88.551","0.003","87.044","0.003","89.587","0.002","3498.74","0.19","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Au2 Cl F6 O P2 Sb -","- C36 H26 Au2 Cl F6 O P2 Sb -","- C144 H104 Au8 Cl4 F24 O4 P8 Sb4 -","4","2","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","1.54178","CuKα","","0.0451","0.0382","","","0.1077","0.1116","","","","","","1.038","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556671","13.9459","0.0008","31.1012","0.0019","10.9557","0.0007","90","","105.449","0.002","90","","4580.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Au2 F6 O P2 Sb -","- C49 H49 Au2 F6 O P2 Sb -","- C196 H196 Au8 F24 O4 P8 Sb4 -","4","1","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","0.71073","MoKα","","0.0661","0.0419","","","0.0942","0.1088","","","","","","1.083","","","","has coordinates,has disorder","245389","2020-10-21","18:00:00",""
"1556672","8.797","0.003","12.528","0.004","18.181","0.004","90","0","94.3","0.02","90","0","1998.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Fe2 N O5 S3 -","- C16 H15 Fe2 N O5 S3 -","- C64 H60 Fe8 N4 O20 S12 -","4","1","","Tard, C.; Borg, S.J.; Fairhurst, S.A.; Pickett, C.J.; Best, S.P.","Electronic Communication between Dithiolato-Bridged Diiron Carbonyl and S-Bridged Redox-Active Centres","Inorganics","2019","7","","37","","10.3390/inorganics7030037","","","0.71073","MoKα","","0.0431","0.0272","","","0.0587","0.066","","","","","","1.047","","","","has coordinates","245390","2020-10-21","18:00:00",""
"1556678","12.2207","0.0013","8.2084","0.0009","14.738","0.0016","90","","105.697","0.0019","90","","1423.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4-pyrene-1-yl)pyridine","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.1251","0.0543","","","0.1299","0.1669","","","","","","0.986","","","","has coordinates","245425","2020-10-21","18:00:00",""
"1556679","8.2054","0.001","9.7248","0.0012","10.4571","0.0012","85.133","0.002","79.4","0.002","74.341","0.002","789.21","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4-(2-(pyren-1-yl)ethyl)pyridine","","- C23 H17 N -","- C23 H17 N -","- C46 H34 N2 -","2","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0818","0.0494","","","0.1287","0.153","","","","","","1.042","","","","has coordinates,has disorder","245425","2020-10-21","18:00:00",""
"1556680","20.4752","0.0009","4.502","0.0002","20.208","0.0009","90","","103.158","0.001","90","","1813.86","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu I N -","- C23 H17 Cu I N -","- C92 H68 Cu4 I4 N4 -","4","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0493","0.0333","","","0.0771","0.0844","","","","","","1.023","","","","has coordinates","245425","2020-10-21","18:00:00",""
"1556681","12.5192","0.0009","24.7373","0.0018","11.2498","0.0008","90","","90","","90","","3484","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H32 N2 O4 Zn -","- C45.844 H31.922 N2 O3.844 Zn -","- C183.376 H127.688 N8 O15.376 Zn4 -","4","0.5","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0688","0.0517","","","0.1475","0.1629","","","","","","1.022","","","","has coordinates,has disorder","245425","2020-10-21","18:00:00",""
"1556682","16.166","0.004","11.279","0.005","12.294","0.003","90","","90","","90","","2241.6","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 B10 Cl Ge N2 -","- C15 H33 B10 Cl Ge N2 -","- C60 H132 B40 Cl4 Ge4 N8 -","4","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0496","0.048","","","0.1221","0.1231","","","","","","1.142","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556683","26.796","0.016","8.141","0.003","18.666","0.008","90","","103.29","0.04","90","","3963","3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H25 B10 Cl2 N2 Sb -","- C9 H25 B10 Cl2 N2 Sb -","- C72 H200 B80 Cl16 N16 Sb8 -","8","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0284","0.0255","","","0.0592","0.0602","","","","","","1.185","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556684","10.7068","0.0003","16.6627","0.0006","17.9475","0.0009","117.108","0.002","92.836","0.002","106.327","0.002","2675.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Ni P2 S2 -","- C60 H70 Ni P2 S2 -","- C120 H140 Ni2 P4 S4 -","2","1","","Alrefai, R.; Eggenweiler, H.; Schubert, H.; Berkefeld, A.","Understanding Factors that Control the Structural (Dis)Assembly of Sulphur-Bridged Bimetallic Sites","Inorganics","2019","7","","42","","10.3390/inorganics7040042","","","0.71073","MoKα","","0.0299","0.0265","","","0.0693","0.0717","","","","","","1.019","","","","has coordinates","245427","2020-10-21","18:00:00",""
"1556685","8.9541","0.0003","14.157","0.0004","16.8972","0.0005","104.278","0.001","98.592","0.001","97.958","0.001","2017.85","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H44 F6 N Ni O4 P S3 -","- C38 H44 F6 N Ni O4 P S3 -","- C76 H88 F12 N2 Ni2 O8 P2 S6 -","2","1","","Alrefai, R.; Eggenweiler, H.; Schubert, H.; Berkefeld, A.","Understanding Factors that Control the Structural (Dis)Assembly of Sulphur-Bridged Bimetallic Sites","Inorganics","2019","7","","42","","10.3390/inorganics7040042","","","0.71073","MoKα","","0.0355","0.0299","","","0.0788","0.0824","","","","","","1.013","","","","has coordinates,has disorder","245427","2020-10-21","18:00:00",""
"1556686","26.0212","0.0003","9.1562","0.0001","13.6318","0.0002","90","","99.58","0.001","90","","3202.55","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 B6 N3 O13.5 Zn -","- C4 H20 B6 N3 O13.5 Zn -","- C32 H160 B48 N24 O108 Zn8 -","8","1","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","","0.0249","0.024","","","0.066","0.0666","","","","","","1.095","","","","has coordinates,has disorder","245428","2020-10-21","18:00:00",""
"1556687","7.4831","0.0002","7.8551","0.0002","11.0111","0.0003","108.065","0.002","95.02","0.002","90.118","0.002","612.68","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- B12 H28 N2 O30 Zn -","- B12 H28 N2 O30 Zn -","- B12 H28 N2 O30 Zn -","1","0.5","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","K-L~3~","0.0214","0.0212","","","0.0557","0.0559","","","","","","1.068","","","","has coordinates","245428","2020-10-21","18:00:00",""
"1556688","9.3681","0.0002","10.691","0.0002","19.2746","0.0004","82.954","0.002","76.156","0.002","68.655","0.002","1744.44","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7.5 H49 B12 N5 O31 Zn -","- C7.5 H49 B12 N5 O31 Zn -","- C15 H98 B24 N10 O62 Zn2 -","2","1","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","K-L~3~","0.0439","0.0425","","","0.1046","0.1053","","","","","","1.191","","","","has coordinates,has disorder","245428","2020-10-21","18:00:00",""
"1556689","8.3","0.001","16.191","0.002","21.221","0.003","108.167","0.004","94.071","0.005","104.453","0.004","2589.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 I16 N8 -","- C22 H40 I16 N8 -","- C44 H80 I32 N16 -","2","1","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0397","0.0377","","","0.106","0.1083","","","","","","1.018","","","","has coordinates","245429","2020-10-21","18:00:00",""
"1556690","9.226","0.001","13.06","0.001","17.377","0.002","90","","104.671","0.003","90","","2025.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H23 I14 N4 O -","- C14 H27 I14 N4 O -","- C28 H54 I28 N8 O2 -","2","0.5","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0941","0.0779","","","0.2092","0.2353","","","","","","1.09","","","","has coordinates","245429","2020-10-21","18:00:00",""
"1556691","7.706","0.005","10.274","0.005","13.666","0.005","93.846","0.005","92.271","0.005","107.216","0.005","1029.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(HNEt3)[(pydicOMe2)CuCl3]","Triethylammonium (Pyridine-2,6-dicarboxyl-dimethyl) trichlorido cuprate","","- C15 H25 Cl3 Cu N2 O4 -","- C15 H25 Cl3 Cu N2 O4 -","- C30 H50 Cl6 Cu2 N4 O8 -","2","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1467","0.0399","","","0.0524","0.0688","","","","","","0.684","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556692","8.185","0.003","9.5","0.003","9.682","0.002","69.01","0.03","66.97","0.03","89.04","0.04","640.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Cl2 Cu3 N2 O14 -","- C14 H6 Cl2 Cu3 N2 O14 -","- C14 H6 Cl2 Cu3 N2 O14 -","1","0.5","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1291","0.0813","","","0.2361","0.2593","","","","","","1.015","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556693","13.52","0.005","14.455","0.005","19.496","0.005","90","","90","","90","","3810","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pydicOIPh","Bis(2-iodophenyl)pyridine-2,6-dicarboxylate","","- C19 H11 I2 N O4 -","- C19 H11 I2 N O4 -","- C152 H88 I16 N8 O32 -","8","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1272","0.0329","","","0.0522","0.0671","","","","","","0.739","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556694","9.5916","0.001","33.666","0.003","13.3219","0.0013","90","","105.255","0.003","90","","4150.2","0.7","150","0.1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 N4 Ni -","- C10 H12 N4 Ni -","- C160 H192 N64 Ni16 -","16","2","","Wang, D.; Moutet, J.; Tricoire, M.; Cordier, M.; Nocton, G.","Reactive Heterobimetallic Complex Combining Divalent Ytterbium and Dimethyl Nickel Fragments","Inorganics","2019","7","","58","","10.3390/inorganics7050058","","","0.71069","MoKα","","0.0423","0.0308","","","0.0742","0.0793","","","","","","1.038","","","","has coordinates","245431","2020-10-21","18:00:00",""
"1556695","9.4362","0.0007","10.7558","0.0007","17.0271","0.0012","103.204","0.002","94.65","0.002","93.872","0.002","1670.3","0.2","150","0.1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N4 Ni Yb -","- C37 H50 N4 Ni Yb -","- C74 H100 N8 Ni2 Yb2 -","2","1","","Wang, D.; Moutet, J.; Tricoire, M.; Cordier, M.; Nocton, G.","Reactive Heterobimetallic Complex Combining Divalent Ytterbium and Dimethyl Nickel Fragments","Inorganics","2019","7","","58","","10.3390/inorganics7050058","","","0.71069","MoKα","","0.0267","0.0236","","","0.0571","0.0588","","","","","","0.945","","","","has coordinates,has disorder","245431","2020-10-21","18:00:00",""
"1556696","40.6382","0.0015","12.2295","0.0005","24.2274","0.0009","90","","125.09","0.001","90","","9852.3","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H53 B Br Ir O3 P4 -","- C56 H53 B Br Ir O3 P4 -","- C448 H424 B8 Br8 Ir8 O24 P32 -","8","1","","Maser, L.; Schneider, C.; Alig, L.; Langer, R.","Comparing the Acidity of (R3P)2BH-Based Donor Groups in Iridium Pincer Complexes","Inorganics","2019","7","","61","","10.3390/inorganics7050061","","","0.71073","MoKα","","0.0354","0.0277","","","0.0695","0.0728","","","","","","1.023","","","","has coordinates","245432","2020-10-21","18:00:00",""
"1556697","20.957","0.005","8.1726","0.0017","22.929","0.005","90","","106.623","0.003","90","","3763","1.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Br2 N5 Pd -","- C43 H45 Br2 N5 Pd -","- C172 H180 Br8 N20 Pd4 -","4","1","","Messelberger, J.; Grunwald, A.; Stegner, P.; Senft, L.; Heinemann, F.W.; Munz, D.","Transmetalation from Magnesium-NHCs-Convenient Synthesis of Chelating pi-Acidic NHC Complexes","Inorganics","2019","7","","65","","10.3390/inorganics7050065","","","0.71073","MoKα","","0.1029","0.0694","","","0.1525","0.1683","","","","","","1.089","","","","has coordinates","245433","2020-10-21","18:00:00",""
"1556698","19.086","0.0008","12.8472","0.0006","20.6882","0.0008","90","","111.643","0.001","90","","4715.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Br2 Mg N8 -","- C50 H60 Br2 Mg N8 -","- C200 H240 Br8 Mg4 N32 -","4","1","","Messelberger, J.; Grunwald, A.; Stegner, P.; Senft, L.; Heinemann, F.W.; Munz, D.","Transmetalation from Magnesium-NHCs-Convenient Synthesis of Chelating pi-Acidic NHC Complexes","Inorganics","2019","7","","65","","10.3390/inorganics7050065","","","0.71073","MoKα","","0.0474","0.0307","","","0.0623","0.068","","","","","","1.038","","","","has coordinates","245433","2020-10-21","18:00:00",""
"1556699","6.89532","0.00009","12.63419","0.00015","20.7068","0.0002","90","","90","","90","","1803.91","0.04","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C84 H76 N4 O24 -","4","1","","Bangalore, Pavan K.; Vagolu, Siva K.; Bollikanda, Rakesh K.; Veeragoni, Dileep K.; Choudante, Pallavi C.; Misra, Sunil; Sriram, Dharmarajan; Sridhar, Balasubramanian; Kantevari, Srinivas","Usnic Acid Enaminone-Coupled 1,2,3-Triazoles as Antibacterial and Antitubercular Agents","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00475","","","0.71073","MoKα","","0.0471","0.0414","","","0.1088","0.1128","","","","","","1.052","","","","has coordinates","245456","2020-10-21","18:00:00",""
"1556700","7.6289","0.0002","13.0886","0.0003","14.6321","0.0003","90","","90","","90","","1461.04","0.06","98","2","98","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [3,3-2H2]-Dihydroartemisinic Acid to Measure the Rate of Nonenzymatic Conversion of Dihydroartemisinic Acid to Artemisinin","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00686","","x-ray","0.71073","MoKα","","0.0401","0.0393","","","0.0913","0.0918","","","","","","1.087","","","","has coordinates","245458","2020-10-21","18:00:00",""
"1556701","5.1545","0.0001","14.0173","0.0004","18.2753","0.0004","90","","90","","90","","1320.43","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [3,3-2H2]-Dihydroartemisinic Acid to Measure the Rate of Nonenzymatic Conversion of Dihydroartemisinic Acid to Artemisinin","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00686","","x-ray","0.71073","MoKα","","0.0341","0.0333","","","0.0838","0.0848","","","","","","1.058","","","","has coordinates","245459","2020-10-21","18:00:00",""
"1556702","17.0353","0.0013","18.7759","0.0014","25.4659","0.0018","90","","90","","90","","8145.3","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","","- C42 H38 F4 N8 Ni O8 -","- C42 H38 F4 N8 Ni O8 -","- C336 H304 F32 N64 Ni8 O64 -","8","1","","Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","IUCrData","2019","4","12","x191688","","10.1107/S2414314619016882","","","0.71073","MoKα","","0.0432","0.0347","","","0.0989","0.1094","","","","","","1.008","","","","has coordinates,has Fobs","245483","2020-10-21","18:00:00",""
"1556705","24.916","0.002","9.3586","0.0009","9.3255","0.0009","90","","92.291","0.003","90","","2172.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cu N6 O4 -","- C16 H32 Cu N6 O4 -","- C64 H128 Cu4 N24 O16 -","4","1","","Nesterova, O.V.; Kopylovich, M.N.; Nesterov, D.S.","A Comparative Study of the Catalytic Behaviour of Alkoxy-1,3,5-Triazapentadiene Copper(II) Complexes in Cyclohexane Oxidation","Inorganics","2019","7","","82","","10.3390/inorganics7070082","","","0.71073","MoKα","","0.098","0.0671","","","0.1395","0.1546","","","","","","1.09","","","","has coordinates,has disorder","245500","2020-10-21","18:00:00",""
"1556706","5.6535","0.0005","10.3149","0.0008","13.5498","0.001","108.336","0.003","95.921","0.003","98.615","0.003","732.01","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cl2 Cu N4 O2 -","- C10 H16 Cl2 Cu N4 O2 -","- C20 H32 Cl4 Cu2 N8 O4 -","2","1","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0541","0.0363","","","0.0813","0.0878","","","","","","1.023","","","","has coordinates","245501","2020-10-21","18:00:00",""
"1556707","7.1887","0.0004","7.4368","0.0005","10.5356","0.0007","82.585","0.003","89.776","0.003","84.799","0.003","556.22","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl4 Cu2 N8 O2 -","- C14 H16 Cl4 Cu2 N8 O2 -","- C14 H16 Cl4 Cu2 N8 O2 -","1","0.5","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0438","0.0295","","","0.0707","0.0753","","","","","","1.05","","","","has coordinates","245502","2020-10-21","18:00:00",""
"1556708","7.3978","0.0002","7.6151","0.0002","10.7043","0.0003","81.023","0.002","88.684","0.002","84.835","0.002","593.2","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Br4 Cu2 N8 O2 -","- C14 H16 Br4 Cu2 N8 O2 -","- C14 H16 Br4 Cu2 N8 O2 -","1","0.5","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0724","0.0546","","","0.1","0.1068","","","","","","1.079","","","","has coordinates","245503","2020-10-21","18:00:00",""
"1556709","7.3737","0.0009","8.4147","0.0011","10.6554","0.0014","83.614","0.005","76.079","0.005","75.706","0.005","620.91","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br2 Cu N4 O -","- C8 H10 Br2 Cu N4 O -","- C16 H20 Br4 Cu2 N8 O2 -","2","1","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0709","0.0349","","","0.0668","0.0771","","","","","","1.024","","","","has coordinates","245504","2020-10-21","18:00:00",""
"1556710","8.10721","0.00004","9.16946","0.00003","15.13501","0.00004","90","","103.244","0.0003","90","","1095.19","0.007","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O6 -","- C25 H32 O6 -","- C50 H64 O12 -","2","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0272","0.0272","","","0.0739","0.0739","","","","","","0.887","","","","has coordinates","245533","2020-10-21","18:00:00",""
"1556711","9.93659","0.00004","13.42999","0.00005","18.77544","0.00008","90","","90","","90","","2505.55","0.017","99.8","0.3","99.8","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0249","0.0248","","","0.0657","0.0658","","","","","","1.068","","","","has coordinates","245534","2020-10-21","18:00:00",""
"1556712","17.78258","0.00011","7.75587","0.00005","15.80743","0.0001","90","","98.7572","0.0006","90","","2154.74","0.02","295.17","0.1","295.17","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C24 H30 N0 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0318","0.0314","","","0.0848","0.0852","","","","","","1.06","","","","has coordinates","245535","2020-10-21","18:00:00",""
"1556713","12.44242","0.00004","13.08682","0.00004","18.83541","0.00005","90","","90","","90","","3067","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl0 N0 O12 -","- C33 H42 O12 -","- C132 H168 O48 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0468","0.0466","","","0.1271","0.1272","","","","","","1.224","","","","has coordinates","245536","2020-10-21","18:00:00",""
"1556714","12.2786","0.0001","12.9947","0.0001","15.2581","0.0001","90","","90","","90","","2434.53","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","x-ray","1.54184","CuKα","","0.0296","0.0289","","","0.076","0.0764","","","","","","1.041","","","","has coordinates","245537","2020-10-21","18:00:00",""
"1556715","3.7545","0.0004","10.0984","0.0011","11.3136","0.0012","101.531","0.002","93.707","0.002","98.905","0.002","413.2","0.08","187","2","187","2","","","","","","","","4","P -1","-P 1","2","","2'-chloro-2,5'-bipyrimidine","","- C8 H5 Cl N4 -","- C8 H5 Cl N4 -","- C16 H10 Cl2 N8 -","2","1","","Gärtner, Michael; Sauter, Eric; Nascimbeni, Giulia; Wiesner, Adrian; Kind, Martin; Werner, Philipp; Schuch, Christian; Abu-Husein, Tarek; Asyuda, Andika; Bats, Jan W.; Bolte, Michael; Zojer, Egbert; Terfort, Andreas; Zharnikov, Michael","Self-Assembled Monolayers with Distributed Dipole Moments Originating from Bipyrimidine Units","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08835","","","0.71073","MoKα","","0.0547","0.0481","","","0.1449","0.1488","","","","","","1.164","","","","has coordinates","245543","2020-10-21","18:00:00",""
"1556716","31.892","0.005","5.1921","0.0007","14.655","0.002","90","","101.697","0.003","90","","2376.3","0.6","186","2","186","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N8 O2 S4 -","- C20 H22 N8 O2 S4 -","- C80 H88 N32 O8 S16 -","4","0.5","","Gärtner, Michael; Sauter, Eric; Nascimbeni, Giulia; Wiesner, Adrian; Kind, Martin; Werner, Philipp; Schuch, Christian; Abu-Husein, Tarek; Asyuda, Andika; Bats, Jan W.; Bolte, Michael; Zojer, Egbert; Terfort, Andreas; Zharnikov, Michael","Self-Assembled Monolayers with Distributed Dipole Moments Originating from Bipyrimidine Units","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08835","","","0.71073","MoKα","","0.2669","0.1608","","","0.2896","0.3284","","","","","","1.223","","","","has coordinates","245544","2020-10-21","18:00:00",""
"1556717","5.4612","0.0004","21.4321","0.0014","7.3001","0.0005","90","","103.663","0.001","90","","830.26","0.1","186","2","186","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-2,5'-bipyrimidine","","- C8 H5 Br N4 -","- C8 H5 Br N4 -","- C32 H20 Br4 N16 -","4","1","","Gärtner, Michael; Sauter, Eric; Nascimbeni, Giulia; Wiesner, Adrian; Kind, Martin; Werner, Philipp; Schuch, Christian; Abu-Husein, Tarek; Asyuda, Andika; Bats, Jan W.; Bolte, Michael; Zojer, Egbert; Terfort, Andreas; Zharnikov, Michael","Self-Assembled Monolayers with Distributed Dipole Moments Originating from Bipyrimidine Units","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08835","","","0.71073","MoKα","","0.0461","0.0373","","","0.0796","0.0831","","","","","","1.14","","","","has coordinates","245545","2020-10-21","18:00:00",""
"1556718","3.8332","0.0004","10.1817","0.0011","10.393","0.0013","91.928","0.01","92.817","0.01","90.42","0.009","404.89","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C16 H12 N8 S2 -","2","1","","Gärtner, Michael; Sauter, Eric; Nascimbeni, Giulia; Wiesner, Adrian; Kind, Martin; Werner, Philipp; Schuch, Christian; Abu-Husein, Tarek; Asyuda, Andika; Bats, Jan W.; Bolte, Michael; Zojer, Egbert; Terfort, Andreas; Zharnikov, Michael","Self-Assembled Monolayers with Distributed Dipole Moments Originating from Bipyrimidine Units","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08835","","","0.71073","MoKα","","0.0423","0.0375","","","0.0997","0.1022","","","","","","1.093","","","","has coordinates","245546","2020-10-21","18:00:00",""
"1556732","12.1104","0.0003","13.4886","0.0003","16.6398","0.0004","95.854","0.002","90.584","0.002","110.37","0.002","2531.84","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H24 Cl2 N2 Pd -","- C29.5 H24 Cl2 N2 Pd -","- C118 H96 Cl8 N8 Pd4 -","4","2","","Liao, Guangfu; Xiao, Zefan; Chen, Xiaolin; Du, Cheng; Zhong, Liu; Cheung, Chi Shing; Gao, Haiyang","Fast and Regioselective Polymerization of para-Alkoxystyrene by Palladium Catalysts for Precision Production of High-Molecular-Weight Polystyrene Derivatives","Macromolecules","2019","","","","","10.1021/acs.macromol.9b02274","","x-ray","1.54184","CuKα","","0.0408","0.0377","","","0.1005","0.1032","","","","","","1.027","","","","has coordinates","245565","2020-10-21","18:00:00",""
"1556733","17.8991","0.0011","17.9848","0.001","24.2721","0.0017","90","","98.602","0.007","90","","7725.6","0.9","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H69 B F24 N2 O Pd -","- C82 H69 B F24 N2 O Pd -","- C328 H276 B4 F96 N8 O4 Pd4 -","4","1","","Liao, Guangfu; Xiao, Zefan; Chen, Xiaolin; Du, Cheng; Zhong, Liu; Cheung, Chi Shing; Gao, Haiyang","Fast and Regioselective Polymerization of para-Alkoxystyrene by Palladium Catalysts for Precision Production of High-Molecular-Weight Polystyrene Derivatives","Macromolecules","2019","","","","","10.1021/acs.macromol.9b02274","","x-ray","0.71073","MoKα","","0.2184","0.105","","","0.2658","0.3468","","","","","","1.03","","","","has coordinates,has disorder","245566","2020-10-21","18:00:00",""
"1556734","17.7619","0.0005","12.7435","0.0004","28.2194","0.0008","90","","102.478","0.002","90","","6236.5","0.3","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H24 Br2 Cl2 N2 O -","- C31 H24 Br2 Cl2 N2 O -","- C248 H192 Br16 Cl16 N16 O8 -","8","1","HB4331","Devika, S.; Shraddha, K. N.; Begum, Noor Shahina","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2019","4","12","x191672","","10.1107/S2414314619016729","","","0.71073","MoKα","","0.0707","0.0636","","","0.2299","0.2393","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","245577","2020-10-21","18:00:00",""
"1556850","8.26597","0.00008","9.64323","0.00009","10.64668","0.00011","90","","98.2546","0.0009","90","","839.862","0.014","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Guo, Yong-Wei; Gong, Ben-Qiang; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Huang, Yun; Li, Jian-Feng; Yang, De-Po; Lan, Wen-Jian","l-Phenylalanine Alters the Privileged Secondary Metabolite Production in the Marine-Derived Fungus Trichoderma erinaceum F1-1","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00710","","x-ray","1.54184","CuKα","","0.0298","0.029","","","0.0757","0.0767","","","","","","1.048","","","","has coordinates","246315","2020-10-21","18:00:00",""
"1556857","6.2668","0.0008","14.648","0.003","31.434","0.005","90","","90","","90","","2885.5","0.8","106.7","","106.7","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min","Antcamphorols A‒K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00580","","","1.5418","CuKα","","0.0523","0.0463","","","0.1114","0.1159","","","","","","1.042","","","","has coordinates,has disorder","246344","2020-10-21","18:00:00",""
"1556858","11.0367","0.0008","12.1537","0.0007","18.4758","0.0007","90","","90","","90","","2478.3","0.2","103.8","","103.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min","Antcamphorols A‒K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00580","","","1.5418","CuKα","","0.1086","0.1064","","","0.2631","0.2645","","","","","","1.059","","","","has coordinates,has disorder","246345","2020-10-21","18:00:00",""
"1556859","11.4176","0.001","13.5604","0.0012","16.3722","0.0015","90","","90","","90","","2534.9","0.4","100","2","100.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","1","","Wen, Jin; Turowski, Michał; Dron, Paul I.; Chalupský, Jakub; Grotjahn, Robin; Maier, Toni M.; Fatur, Steven M.; Havlas, Zdeněk; Johnson, Justin C.; Kaupp, Martin; Michl, Josef","Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08955","","","0.71073","MoKα","","0.0286","0.0282","","","0.0756","0.0761","","","","","","1.059","","","","has coordinates","246349","2020-10-21","18:00:00",""
"1556887","19.597","0.0006","19.597","0.0006","36.7108","0.0015","90","","90","","90","","14098.5","0.8","180.15","","180.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 B2 Ca F48 O16 -","- C40 H48 B2 Ca F48 O16 -","- C320 H384 B16 Ca8 F384 O128 -","8","0.5","","Li, Zhenyou; Fuhr, Olaf; Fichtner, Maximilian; Zhao-Karger, Zhirong","Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries","Energy & Environmental Science","2019","12","12","3496","","10.1039/C9EE01699F","","x-ray","0.71073","MoKα","","0.1065","0.0898","","","0.2536","0.2684","","","","","","1.224","","","","has coordinates","246385","2020-10-21","18:00:00",""
"1556895","12.4008","0.0005","13.8892","0.0007","25.2321","0.0011","90","","100.991","0.003","90","","4266.2","0.3","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV)","","- C42 H19 F16 Os P S4 -","- C42 H19 F16 Os P S4 -","- C168 H76 F64 Os4 P4 S16 -","4","1","ZL4036","Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph","IUCrData","2019","4","12","x191622","","10.1107/S2414314619016225","","x-ray","0.56083","AgKα","","0.104","0.0446","","","0.0807","0.0917","","","","","","0.795","","","","has coordinates,has Fobs","246423","2020-10-21","18:00:00",""
"1556896","25.1072","0.0005","8.8634","0.0002","21.3401","0.0004","90","","112.444","0.0012","90","","4389.2","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","","- C52 H50 O8 P2 -","- C52 H50 O8 P2 -","- C208 H200 O32 P8 -","4","1","RZ4035","Leidecker, Benedict N.; Kubis, Christoph; Spannenberg, Anke; Franke, Robert; Börner, Armin","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","IUCrData","2019","4","12","x191636","","10.1107/S2414314619016365","","","1.54178","CuKα","","0.0619","0.04","","","0.0946","0.1066","","","","","","1.011","","","","has coordinates,has Fobs","246424","2020-10-21","18:00:00",""
"1556897","13.5979","0.0007","7.3148","0.0003","12.5931","0.0006","90","","112.763","0.005","90","","1155.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","HB4328","Alicea-Velázquez, Nilda L.; Crundwell, Guy","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","IUCrData","2019","4","12","x191601","","10.1107/S2414314619016018","","x-ray","0.71073","MoKα","","0.0576","0.0446","","","0.1125","0.1227","","","","","","1.067","","","","has coordinates,has Fobs","246425","2020-10-21","18:00:00",""
"1556898","10.519","0.005","22.059","0.005","11.246","0.005","90","0.005","97.867","0.005","90","0.005","2584.9","1.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C29 H26 Cl N O4 -","- C29 H26 Cl N O4 -","- C116 H104 Cl4 N4 O16 -","4","1","HB4329","Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","12","x191644","","10.1107/S2414314619016444","","","0.71073","MoKα","","0.1133","0.0604","","","0.1619","0.1919","","","","","","1.055","","","","has coordinates,has Fobs","246426","2020-10-21","18:00:00",""
"1556919","24.5798","0.0009","24.5798","0.0009","11.7412","0.0005","90","","90","","120","","6143.3","0.4","208","","208","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C234 H198 N54 O36 -","18","1","","Desta, Israel Tilahun; Chizhik, Stanislav A.; Sidelnikov, Anatoli A.; Karothu, Durga Prasad; Boldyreva, Elena V.; Naumov, Pance","Mechanically Responsive Crystals: Analysis of Macroscopic Strain Reveals ""Hidden"" Processes.","The journal of physical chemistry. A","2019","","","","","10.1021/acs.jpca.9b10365","","","1.54178","CuKα","","0.0528","0.0518","","","0.1629","0.1639","","","","","","1.146","","","","has coordinates","246500","2020-10-21","18:00:00",""
"1556920","7.46638","0.00008","22.8958","0.00019","15.81982","0.00011","90","","91.5281","0.0008","90","","2703.42","0.04","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N2 O11.5 -","- C26 H37 N2 O11.5 -","- C104 H148 N8 O46 -","4","2","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0495","0.0458","","","0.1193","0.1217","","","","","","1.044","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556921","5.6664","0.0002","8.4625","0.0003","52.2037","0.0014","90","","90","","90","","2503.27","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N2 O11.5 -","- C26 H35 N2 O11.5 -","- C104 H140 N8 O46 -","4","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0824","0.077","","","0.1945","0.1993","","","","","","1.083","","","","has coordinates,has disorder","246508","2020-10-21","18:00:00",""
"1556922","8.15738","0.00019","10.7672","0.0002","33.9634","0.0007","90","","90","","90","","2983.08","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O12 -","- C29 H34 N2 O12 -","- C116 H136 N8 O48 -","4","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0487","0.0432","","","0.0962","0.0996","","","","","","1.051","","","","has coordinates","246509","2020-10-21","18:00:00",""
"1556923","12.69983","0.00002","8.73522","0.00002","17.77957","0.00003","90","","98.7531","0.0002","90","","1949.42","0.006","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H48 N2 O19 -","- C32 H48 N2 O19 -","- C64 H96 N4 O38 -","2","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0468","0.0454","","","0.1008","0.1021","","","","","","1.063","","","","has coordinates,has disorder","246510","2020-10-21","18:00:00",""
"1556924","12.01025","0.00011","9.55452","0.00011","13.71388","0.00012","90","","92.4358","0.0008","90","","1572.28","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O9 -","- C26 H32 N2 O9 -","- C52 H64 N4 O18 -","2","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.1","0.1013","","","","","","1.043","","","","has coordinates","246511","2020-10-21","18:00:00",""
"1556925","18.6115","0.0015","8.4248","0.0004","21.2254","0.0016","90","","109.341","0.009","90","","3140.3","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N2 O10.5 -","- C27 H35 N2 O10.5 -","- C108 H140 N8 O42 -","4","2","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.1175","0.0858","","","0.2291","0.257","","","","","","0.937","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556926","17.4386","0.0003","6.02603","0.00008","18.7078","0.0003","90","","94.6535","0.0016","90","","1959.44","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O13 -","- C32 H40 N2 O13 -","- C64 H80 N4 O26 -","2","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.1237","0.0961","","","0.2576","0.2942","","","","","","1.033","","","","has coordinates,has disorder","246513","2020-10-21","18:00:00",""
"1556931","18.1165","0.0005","18.1165","0.0005","12.8619","0.0011","90","","90","","90","","4221.4","0.4","150","0.1","150","0.1","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0516","0.0405","","","0.0816","0.0871","","","","","","1.014","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556932","22.1402","0.0008","6.8047","0.0002","14.236","0.0005","90","","100.71","0.004","90","","2107.4","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H24.34 N2 O4.17 -","- C25 H24.342 N2 O4.171 -","- C100 H97.368 N8 O16.684 -","4","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0878","0.0904","","","","","","1.058","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556933","21.8655","0.0007","6.7309","0.0002","29.0129","0.0008","90","","100.54","0.003","90","","4197.9","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C200 H192 N16 O32 -","8","1","","George, Josemon; Ward, Jas S.; Sherburn, Michael S.","A general synthesis of dendralenes","Chemical Science","2019","10","43","9969","","10.1039/C9SC03976G","","x-ray","0.71073","MoKα","","0.053","0.0446","","","0.1104","0.1174","","","","","","1.052","","","","has coordinates","246599","2020-10-21","18:00:00",""
"1556934","25.0964","0.0009","15.1544","0.0005","19.7269","0.0007","90","","95.336","0.001","90","","7470","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Ti3C3@Ih(7)-C80 Ni(OEP)","Ti3C3@Ih(7)-C80 Ni(OEP)","","- C131 H56 N4 Ni Ti3 -","- C131 H56 N4 Ni Ti2.9958 -","- C524 H224 N16 Ni4 Ti11.9832 -","4","0.5","","Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing","Trapping an unprecedented Ti3C3 unit inside the icosahedral C80 fullerene: a crystallographic survey","Chemical Science","2019","10","47","10925","","10.1039/C9SC04315B","","","0.6525","synchrotron","","0.1232","0.1079","","","0.2972","0.3105","","","","","","1.068","","","","has coordinates,has disorder","246600","2020-10-21","18:00:00",""
"1556935","7.0287","0.0002","11.0372","0.0003","15.2233","0.0005","76.459","0.001","89.714","0.001","78.323","0.001","1123.27","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O S -","- C26 H27 N3 O S -","- C52 H54 N6 O2 S2 -","2","1","","Hoche, Joscha; Schulz, Alexander; Dietrich, Lysanne Monika; Humeniuk, Alexander; Stolte, Matthias; Schmidt, David; Brixner, Tobias; Würthner, Frank; Mitric, Roland","The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes","Chemical Science","2019","10","48","11013","","10.1039/C9SC05012D","","","1.54178","CuKα","","0.0419","0.0368","","","0.0946","0.0981","","","","","","1.044","","","","has coordinates","246601","2020-10-21","18:00:00",""
"1556936","6.5464","0.0002","17.3658","0.0006","21.0198","0.0007","90","","96.37","0.001","90","","2374.85","0.14","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H25 B F5 N O P S -","- C21 H25 B F5 N O P S -","- C84 H100 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0442","0.0373","","","0.0869","0.0912","","","","","","1.036","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556937","7.2656","0.0003","9.5413","0.0003","13.0878","0.0004","90","","100.119","0.003","90","","893.18","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.0856","0.0766","","","0.2045","0.2144","","","","","","1.04","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556938","17.1138","0.0014","6.6266","0.0005","20.6037","0.0016","90","","93.452","0.003","90","","2332.4","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C21 H26 B F5 N O P S -","- C21 H26 B F5 N O P S -","- C84 H104 B4 F20 N4 O4 P4 S4 -","4","2","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","","0.71073","MoKα","","0.0965","0.0714","","","0.1665","0.18","","","","","","1.081","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556939","11.4515","0.0002","13.8216","0.0002","13.0859","0.0002","90","","95.239","0.002","90","","2062.56","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O4 -","- C22 H24 F N O4 -","- C88 H96 F4 N4 O16 -","4","1","","Qiu, Haile; Chen, Xiaofeng; Zhang, Junliang","Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates","Chemical Science","2019","10","45","10510","","10.1039/C9SC04073K","","x-ray","1.54184","CuKα","","0.1179","0.1146","","","0.3172","0.3195","","","","","","1.079","","","","has coordinates","246602","2020-10-21","18:00:00",""
"1556940","7.7583","0.0003","9.5204","0.0004","11.4421","0.0004","70.673","0.002","88.342","0.003","84.629","0.003","794.01","0.05","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 Ti -","- C18 H19 N3 Ti -","- C36 H38 N6 Ti2 -","2","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0734","0.0613","","","0.1524","0.16","","","","","","1.025","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556941","15.2024","0.0018","15.2024","0.0018","7.9195","0.0013","90","","90","","90","","1830.3","0.4","173","2","173.02","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H52 O4 Ti -","- C40 H52 O4 Ti -","- C80 H104 O8 Ti2 -","2","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0799","0.0515","","","0.0995","0.1263","","","","","","1.084","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556942","12.312","0.0003","12.312","0.0003","17.7572","0.0008","90","","90","","90","","2691.73","0.15","173","2","172.99","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C56 H84 O4 Ti -","- C56 H84 O4 Ti -","- C112 H168 O8 Ti2 -","2","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0397","0.035","","","0.0846","0.0868","","","","","","1.023","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556943","15.2973","0.0016","15.2973","0.0016","8.263","0.002","90","","90","","90","","1933.6","0.5","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C40 H48 F4 O4 Ti -","- C40 H48 F4 O4 Ti -","- C80 H96 F8 O8 Ti2 -","2","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0955","0.0756","","","0.2282","0.241","","","","","","1.147","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556944","12.9534","0.0004","21.2798","0.0005","19.3799","0.0004","90","","98.805","0.002","90","","5279","0.2","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35.67 H51.5 O2.67 Ti0.67 -","- C35.6667 H51.5 O2.66667 Ti0.666667 -","- C214 H309 O16 Ti4 -","6","1.5","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.1797","0.0791","","","0.1903","0.235","","","","","","0.892","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556945","22.37","0.003","22.37","0.003","9.5963","0.0014","90","","90","","90","","4802.2","1.1","173","2","173.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H48 Br4 O4 Ti -","- C44 H48 Br4 O4 Ti -","- C176 H192 Br16 O16 Ti4 -","4","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","0.71073","MoKα","","0.0889","0.0557","","","0.1627","0.1847","","","","","","1.0431","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556946","9.1061","0.0003","9.1819","0.0002","25.815","0.0009","90","","93.065","0.002","90","","2155.34","0.11","173","2","173.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 Cr N3 O -","- C19 H35 Cr N3 O -","- C76 H140 Cr4 N12 O4 -","4","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0684","0.0557","","","0.1428","0.1494","","","","","","1.128","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556947","22.452","0.002","9.4744","0.0008","22.253","0.002","90","","90.71","0.001","90","","4733.3","0.7","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H70.5 O4 Ti -","- C48.5 H70.5 O4 Ti -","- C194 H282 O16 Ti4 -","4","0.5","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","0.71073","MoKα","","0.0758","0.0601","","","0.1751","0.1958","","","","","","1.0323","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556948","11.5725","0.0001","12.3899","0.0001","13.0612","0.0002","67.658","0.001","80.546","0.001","66.699","0.001","1590.67","0.03","173","2","173.01","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 Cl3 O4 Ti -","- C30 H45 Cl3 O4 Ti -","- C60 H90 Cl6 O8 Ti2 -","2","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0738","0.0509","","","0.1339","0.1479","","","","","","1.065","","","","has coordinates,has disorder","246607","2020-10-21","18:00:00",""
"1556949","10.0587","0.0002","14.8851","0.0004","14.1568","0.0004","90","","90.284","0.002","90","","2119.6","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H60 O8 Ti -","- C44 H60 O8 Ti -","- C88 H120 O16 Ti2 -","2","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0768","0.0545","","","0.0971","0.1122","","","","","","0.987","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556950","22.059","0.0007","9.8711","0.0003","22.6307","0.0006","90","","110.609","0.002","90","","4612.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 F12 O4 Ti -","- C44 H48 F12 O4 Ti -","- C176 H192 F48 O16 Ti4 -","4","0.5","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.1115","0.0885","","","0.259","0.286","","","","","","1.074","","","","has coordinates,has disorder","246607","2020-10-21","18:00:00",""
"1556951","34.0256","0.0018","17.3283","0.0007","25.5196","0.0012","90","","121.054","0.002","90","","12890.1","1.1","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H88 N3 O4 Ti2 -","- C65 H88 N3 O4 Ti2 -","- C520 H704 N24 O32 Ti16 -","8","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0902","0.0593","","","0.1602","0.1812","","","","","","1.048","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556952","9.69","0.001","9.8844","0.0013","13.151","0.002","90.518","0.007","92.411","0.005","95.161","0.004","1253.3","0.3","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I2 O2 Ti -","- C23 H30 I2 O2 Ti -","- C46 H60 I4 O4 Ti2 -","2","1","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0767","0.0521","","","0.124","0.1365","","","","","","1.026","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556953","13.7822","0.0006","10.7752","0.0004","27.0787","0.0013","90","","99.901","0.004","90","","3961.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","","- C24 H16 Cl4 -","- C24 H16 Cl4 -","- C192 H128 Cl32 -","8","1","BT4083","Detert, Heiner; Schollmeyer, Dieter","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","IUCrData","2019","4","2","x190236","","10.1107/S2414314619002360","","","0.71073","MoKα","","0.0481","0.0387","","","0.0953","0.1023","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","274690","2022-04-26","14:34:51",""
"1557166","7.0429","0.001","7.0429","0.001","11.444","0.002","90","","90","","90","","567.65","0.15","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","Bavsiite, Ba2V2O2(Si4O12), idealized","","","- Ba2 O14 Si4 V2 -","- Ba2 O14 Si4 V2 -","- Ba4 O28 Si8 V4 -","2","0.125","","Hans-Peter Bojar; Franz Walter; Judith Baumgartner","Bavsiite, Ba2V2O2[Si4O12], mineral data and crystal structure","Mineralogical Magazine","2019","83","","821","827","10.1180/mgm.2019.59","","","0.71073","MoKα","","0.0159","0.0159","","","0.0399","0.0399","","","","","","1.175","","","","has coordinates","247283","2020-10-21","18:00:00",""
"1558111","18.213","0.0006","21.7508","0.0006","12.6987","0.0004","90","","129.684","0.001","90","","3871.4","0.2","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 Cd2 N O12 -","- C32 H29 Cd2 N O12 -","- C128 H116 Cd8 N4 O48 -","4","0.5","","Harms, Sven; Köferstein, Roberto; Görls, Helmar; Robl, Christian","Syntheses and Crystal Structures of Two Cadmium Methanetetrabenzoates Featured by Open Framework and Infinite Layers","Zeitschrift für anorganische und allgemeine Chemie","2019","645","14","912","","10.1002/zaac.201900089","","","0.71073","MoKα","","0.0479","0.0388","","","0.1118","0.1166","","","","","","1.079","","","","has coordinates,has disorder","252350","2020-10-21","18:00:00",""
"1558112","12.2484","0.0004","14.1885","0.0005","20.3349","0.0004","85.831","0.002","88.351","0.002","68.261","0.001","3273.91","0.17","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H56.5 Cd2 N7.5 O11.5 -","- C59.5 H56.5 Cd2 N7.5 O11.5 -","- C119 H113 Cd4 N15 O23 -","2","1","","Harms, Sven; Köferstein, Roberto; Görls, Helmar; Robl, Christian","Syntheses and Crystal Structures of Two Cadmium Methanetetrabenzoates Featured by Open Framework and Infinite Layers","Zeitschrift für anorganische und allgemeine Chemie","2019","645","14","912","","10.1002/zaac.201900089","","","0.71073","MoKα","","0.1191","0.0918","","","0.2408","0.2633","","","","","","1.039","","","","has coordinates","252351","2020-10-21","18:00:00",""
"1559002","10.0912","0.0018","7.5548","0.0011","27.919","0.005","90","","94.047","0.004","90","","2123.2","0.6","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 N3 O8 -","- C26 H15 N3 O8 -","- C104 H60 N12 O32 -","4","1","","HONDA, Risa; TANAKA, Atsuhiko; HIRABAYASHI, Kazunori; AKIYAMA, Kazuhiko; SHIMIZU, Toshio; SUGIURA, Ken-ichi","Crystal Structure of Dinaphtho[2,1,1′,2′]furan Picrate","X-ray Structure Analysis Online","2019","35","0","69","","10.2116/xraystruct.35.69","","","0.71075","MoKα","","0.0954","0.0502","","","0.1028","0.119","","","","","","1.047","","","","has coordinates,has disorder","256207","2020-10-21","18:00:00",""
"1560194","9.9866","0.0007","5.67205","0.00019","12.2351","0.0014","90","","111.913","0.007","90","","642.98","0.09","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","carlfriesite","","","- Ca O8 Te3 -","- Ca O8 Te3 -","- Ca4 O32 Te12 -","4","0.5","","Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris","The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8","Mineralogical Magazine","2019","83","","439","549","10.1180/mgm.2019.9","","","0.71075","MoKα","","0.0247","0.023","","","0.0528","0.0538","","","","","","1.298","","","","has coordinates","261186","2021-01-25","09:45:53",""
"1560195","9.1219","0.0017","9.1219","0.0017","11.932","0.0009","90","","90","","120","","859.8","0.2","293","2","293","2","","","","","","","","8","P 3 2 1","P 3 2""","150","tlapallite","","","- Ca1.81 Cu3 H3 O20.5 Pb0.19 S Sb0.13 Te4.87 -","- Ca1.8065 Cu3 H3 O20.5 Pb0.1935 S Sb0.1339 Te4.8661 -","- Ca3.613 Cu6 H6 O41 Pb0.387 S2 Sb0.2678 Te9.7322 -","2","0.333333","","Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris","The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8","Mineralogical Magazine","2019","83","","439","549","10.1180/mgm.2019.9","","","0.71075","MoKα","","0.0329","0.0296","","","0.0608","0.0625","","","","","","1.072","","","","has coordinates","261187","2021-01-25","09:46:10",""
"1561649","8.1902","0.0016","8.1902","0.0016","22.076","0.004","90","","90","","120","","1282.4","0.4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Co N O6 -","- C5 H11 Co N0.99999 O6 -","- C30 H65.9999 Co6 N5.99994 O36 -","6","0.166667","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","Co(II)-catalyzed decarboxylation of itaconic acid engendering methacrylic acid and Co(II)-MOFs for structure regulated fluorescent detection of cations","Journal of Solid State Chemistry","2019","280","","120987","","10.1016/j.jssc.2019.120987","","","0.71073","","","0.028846","0.027174","","","","0.07093","","","","","","1.17534","","","","has coordinates","264048","2021-04-12","08:01:02",""
"1561650","8.6606","0.0013","7.1183","0.0012","9.2668","0.0014","90","","97.42","0.004","90","","566.5","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Co O6 -","- C2 H6 Co O6 -","- C8 H24 Co4 O24 -","4","1","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","Co(II)-catalyzed decarboxylation of itaconic acid engendering methacrylic acid and Co(II)-MOFs for structure regulated fluorescent detection of cations","Journal of Solid State Chemistry","2019","280","","120987","","10.1016/j.jssc.2019.120987","","x-ray","0.71073","","","0.021789","0.019109","","","","0.052027","","","","","","1.09932","","","","has coordinates","264048","2021-04-12","08:01:02",""
"1561651","16.2717","0.0006","16.2717","0.0006","21.6878","0.0009","90","","90","","90","","5742.2","0.4","200","2","200","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Zn1.14 -","- As11 Eu14 Zn1.14 -","- As88 Eu112 Zn9.12 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.0363","0.0268","","","0.0553","0.0584","","","","","","1.083","","","","has coordinates","264049","2021-04-12","08:27:33",""
"1561652","16.5172","0.0019","16.5172","0.0019","22.193","0.003","90","","90","","90","","6054.6","1.3","200","2","200","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Sr14 Zn1.33 -","- As11 Sr14 Zn1.336 -","- As88 Sr112 Zn10.688 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.0696","0.0436","","","0.0978","0.1105","","","","","","1.066","","","","has coordinates","264049","2021-04-12","08:27:37",""
"1561653","16.514","0.004","16.514","0.004","22.366","0.006","90","","90","","90","","6099","3","200","2","200","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Sr14 Zn1.46 -","- As11 Sr14 Zn1.46 -","- As88 Sr112 Zn11.68 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.1447","0.0655","","","0.1145","0.1437","","","","","","1.018","","","","has coordinates","264049","2021-04-12","08:27:47",""
"1561654","16.5","0.0018","16.5","0.0018","22.039","0.003","90","","90","","90","","6000.1","1.2","200","2","200","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 La0.7 Sr13.3 Zn -","- As11 La0.7 Sr13.3 Zn -","- As88 La5.6 Sr106.4 Zn8 -","8","0.25","","Baranets, Sviatoslav; Darone, Gregory M.; Bobev, Svilen","Synthesis and structure of Sr14Zn1+As11 and Eu14Zn1+As11 (x ≤ 0.5). New members of the family of pnictides isotypic with Ca14AlSb11, exhibiting a new type of structural disorder","Journal of Solid State Chemistry","2019","280","","120990","","10.1016/j.jssc.2019.120990","","","0.71073","MoKα","","0.084","0.049","","","0.0962","0.1098","","","","","","1.032","","","","has coordinates","264049","2021-04-12","08:27:50",""
"1561655","8.9369","0.0004","8.4225","0.0004","9.6197","0.0004","90","","116.824","0.0013","90","","646.17","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Co4 H6 O15 Se4 -","- Co4 H6 O15 Se4 -","- Co8 H12 O30 Se8 -","2","1","","Poupon, Morgane; Barrier, Nicolas; Pautrat, Alain; Perez, Olivier","Evidence of magnetoelectric effect in Co4(H2O)3(SeO3)4","Journal of Solid State Chemistry","2019","280","","120962","","10.1016/j.jssc.2019.120962","","x-ray","0.71069","MoKα","","0.0466","0.0376","","","0.0559","0.0622","","","","1.31","1.31","1.38","","","","has coordinates","264050","2021-04-12","08:38:51",""
"1561656","6.8176","0.0014","10.477","0.002","10.809","0.002","90","","104.65","0.03","90","","747","0.3","153.15","","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs Li O7 P2 Pb -","- Cs Li O7 P2 Pb -","- Cs4 Li4 O28 P8 Pb4 -","4","1","","Li, Yunfei; Liang, Fei; Song, Huimin; Liu, Wang; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","LiCsPbP2O7: A new alkali metal lead pyrophosphate featuring two dimensional [LiP2O7]∞layer","Journal of Solid State Chemistry","2019","280","","120823","","10.1016/j.jssc.2019.06.028","","","0.71073","MoKα","","0.0621","0.0526","","","0.0793","0.0825","","","","","","1.167","","","","has coordinates","264051","2021-04-12","08:43:49",""
"1561657","14.632","0.004","14.632","0.004","15.737","0.003","90","","90","","120","","2917.8","1.3","298","2","298","2","","","","","","","","7","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Dy1.6 Eu0.38 O39 Tb0.02 Zn3 -","- C24 H36 Dy1.6 Eu0.38 O39 Tb0.02 Zn3 -","- C48 H72 Dy3.2 Eu0.76 O78 Tb0.04 Zn6 -","2","0.0833333","","Igoa, Fernando; Peinado, Guzmán; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Design of a white-light emitting material based on a mixed-lanthanide metal organic framework","Journal of Solid State Chemistry","2019","279","","120925","","10.1016/j.jssc.2019.120925","","","0.71073","MoKα","","0.0409","0.0325","","","0.1153","0.1239","","","","","","1.125","","","","has coordinates,has disorder","264052","2021-04-12","08:54:57",""
"1561658","21.7949","0.0007","21.7949","0.0007","3.6034","0.0002","90","","90","","120","","1482.36","0.11","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C24 H115 In3 O15 -","- C24 H15 In3 O15 -","- C24 H15 In3 O15 -","1","0.0416667","","Lei, Jiao; Li, Yong-Peng; Xue, Ying-Ying; Wang, Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Design of robust rod-packing [In(OH)(BDC)] frameworks and their high CO2/C2-hydrocarbons over CH4 separation performance","Journal of Solid State Chemistry","2019","279","","120936","","10.1016/j.jssc.2019.120936","","","1.54178","CuKα","","0.0396","0.0388","","","0.1118","0.1126","","","","","","1.056","","","","has coordinates","264053","2021-04-12","08:58:17",""
"1561659","13.541","0.0004","8.8827","0.0003","19.1758","0.0005","90","","94.049","0.002","90","","2300.72","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N14 O9 Pb4 -","- C10 H14 N14 O9 Pb4 -","- C40 H56 N56 O36 Pb16 -","4","1","","Liu, Dong-Sheng; Qiu, Zhi-Jun; Xiao, Yang-Lan; Shen, Yu-Jun; Zhou, Qi; Chen, Wen-Tong; Sui, Yan","A novel tetranuclear Pb2+ compound based on ethylenediaminetetraacetate and azide mixed-ligands: Synthesis, structure and properties","Journal of Solid State Chemistry","2019","279","","120952","","10.1016/j.jssc.2019.120952","","x-ray","0.71073","MoKα","","0.0442","0.0348","","","0.0799","0.0844","","","","","","1.056","","","","has coordinates","264054","2021-04-12","09:02:08",""
"1561660","5.374","0.003","7.674","0.004","11.132","0.006","105.333","0.006","90.562","0.006","98.269","0.006","437.6","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H5 O2.5 P0.5 U0.25 -","- C2 H5 O2.5 P0.5 U0.25 -","- C8 H20 O10 P2 U -","4","2","","Kohlgruber, Tsuyoshi A.; Mackley, Stephanie A.; Bo, Fabrice Dal; Aksenov, Sergey M.; Burns, Peter C.","The role of 1-ethyl-3-methylimidazolium diethyl phosphate ionic liquid in uranyl phosphate compounds","Journal of Solid State Chemistry","2019","279","","120938","","10.1016/j.jssc.2019.120938","","","0.71073","MoKα","","0.025","0.0243","","","0.0497","0.0501","","","","","","1.011","","","","has coordinates","264055","2021-04-12","09:07:53",""
"1561661","9.316","0.003","11.89","0.004","18.477","0.007","91.197","0.004","102.993","0.004","102.625","0.004","1940.7","1.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H41 N4 O22 P3 U2 -","- C18 H41 N4 O22 P3 U2 -","- C36 H82 N8 O44 P6 U4 -","2","1","","Kohlgruber, Tsuyoshi A.; Mackley, Stephanie A.; Bo, Fabrice Dal; Aksenov, Sergey M.; Burns, Peter C.","The role of 1-ethyl-3-methylimidazolium diethyl phosphate ionic liquid in uranyl phosphate compounds","Journal of Solid State Chemistry","2019","279","","120938","","10.1016/j.jssc.2019.120938","","","0.71073","MoKα","","0.0923","0.0433","","","0.093","0.1075","","","","","","0.941","","","","has coordinates","264056","2021-04-12","09:08:58",""
"1561662","9.2005","0.0007","10.1531","0.0008","18.5968","0.0014","90","","99.6447","0.0009","90","","1712.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 O11 P2 U -","- C8 H20 O11 P2 U -","- C32 H80 O44 P8 U4 -","4","1","","Kohlgruber, Tsuyoshi A.; Mackley, Stephanie A.; Bo, Fabrice Dal; Aksenov, Sergey M.; Burns, Peter C.","The role of 1-ethyl-3-methylimidazolium diethyl phosphate ionic liquid in uranyl phosphate compounds","Journal of Solid State Chemistry","2019","279","","120938","","10.1016/j.jssc.2019.120938","","","0.71073","MoKα","","0.0277","0.0196","","","0.0413","0.0433","","","","","","1.044","","","","has coordinates","264057","2021-04-12","09:10:15",""
"1561663","36.048","0.01","13.553","0.004","18.583","0.005","90","","119.454","0.003","90","","7905","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H46 N2 O20 P4 U2 -","- C20 H46 N2 O20 P4 U2 -","- C160 H368 N16 O160 P32 U16 -","8","1","","Kohlgruber, Tsuyoshi A.; Mackley, Stephanie A.; Bo, Fabrice Dal; Aksenov, Sergey M.; Burns, Peter C.","The role of 1-ethyl-3-methylimidazolium diethyl phosphate ionic liquid in uranyl phosphate compounds","Journal of Solid State Chemistry","2019","279","","120938","","10.1016/j.jssc.2019.120938","","","0.71073","MoKα","","0.0874","0.0459","","","0.103","0.1143","","","","","","0.902","","","","has coordinates","264058","2021-04-12","09:11:36",""
"1561664","5.7338","0.0017","3.2511","0.001","9.519","0.007","90","","99.497","0.019","90","","175.01","0.15","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs0.12 H1.02 Mo O0.51 S2 -","- Cs0.12 Mo S2 -","- Cs0.24 Mo2 S4 -","2","0.5","","Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang","Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)","Journal of Solid State Chemistry","2019","279","","120937","","10.1016/j.jssc.2019.120937","","","0.71073","MoKα","","0.0345","0.0336","","","0.1112","0.112","","","","","","1.15","","","","has coordinates,has disorder","264059","2021-04-12","09:26:46",""
"1561665","5.6942","0.001","3.2433","0.0006","9.3601","0.0016","90","","100.616","0.006","90","","169.9","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H1.64 K0.38 Mo O0.82 S2 -","- K0.38 Mo S2 -","- K0.76 Mo2 S4 -","2","0.5","","Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang","Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)","Journal of Solid State Chemistry","2019","279","","120937","","10.1016/j.jssc.2019.120937","","","0.71073","MoKα","","0.0486","0.0421","","","0.0965","0.0995","","","","","","1.169","","","","has coordinates,has disorder","264059","2021-04-12","09:26:48",""
"1561666","5.711","0.007","3.25","0.004","9.427","0.012","90","","100.26","0.04","90","","172.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H1.22 Mo O0.61 Rb0.27 S2 -","- Mo Rb0.27 S2 -","- Mo2 Rb0.54 S4 -","2","0.5","","Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang","Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs)","Journal of Solid State Chemistry","2019","279","","120937","","10.1016/j.jssc.2019.120937","","","0.71073","MoKα","","0.05","0.0409","","","0.1153","0.1195","","","","","","1.195","","","","has coordinates,has disorder","264059","2021-04-12","09:26:49",""
"1561667","10.2733","0.0005","10.2733","0.0005","10.2733","0.0005","90","","90","","90","","1084.25","0.09","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Dy Hf K2 O12 P3 -","- Dy Hf K2 O12 P3 -","- Dy4 Hf4 K8 O48 P12 -","4","0.333333","","Zhang, Shi-Rui; Zhao, Dan; Fan, Yun-Chang; Ma, Zhao; Xue, Ya-Li; Li, Ya-Nan","Color tunability and energy transfer studies of a new Eu3+ doped langbeinite-type phosphate phosphor for lighting applications","Journal of Solid State Chemistry","2019","279","","120965","","10.1016/j.jssc.2019.120965","","","0.71073","MoKα","","0.0156","0.0153","","","0.0363","0.0364","","","","","","1.228","","","","has coordinates","264060","2021-04-12","09:33:09",""
"1561671","7.739","0.004","6.004","0.003","7.907","0.004","90","","93.1","0.015","90","","366.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba Br0.5 O S0.5 Sb0.5 -","- Ba Br0.5 O S0.5 Sb0.5 -","- Ba4 Br2 O4 S2 Sb2 -","4","1","","Luo, Mengjia; Bu, Kejun; Liu, Yiting; Wang, Ruiqi; Zhang, Xian; Zheng, Chong; Jin, Qingyuan; Zhang, Xiaolei; Huang, Fuqiang","Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides","Journal of Solid State Chemistry","2019","278","","120811","","10.1016/j.jssc.2019.06.016","","","0.71073","MoKα","","0.0539","0.0384","","","0.0641","0.069","","","","","","1.012","","","","has coordinates","264072","2021-04-13","07:31:22",""
"1561672","7.731","0.0011","6.0775","0.0009","8.0267","0.0011","90","","93.045","0.004","90","","376.6","0.09","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Cu0 I O2 S Sb -","- Ba2 I O2 S Sb -","- Ba4 I2 O4 S2 Sb2 -","2","0.5","","Luo, Mengjia; Bu, Kejun; Liu, Yiting; Wang, Ruiqi; Zhang, Xian; Zheng, Chong; Jin, Qingyuan; Zhang, Xiaolei; Huang, Fuqiang","Synthesis, crystal structure, and optical properties of Ba2SbO2SX (X = Br, I) oxy-chalcohalides","Journal of Solid State Chemistry","2019","278","","120811","","10.1016/j.jssc.2019.06.016","","","0.71073","MoKα","","0.0153","0.0135","","","0.0293","0.0298","","","","","","1.117","","","","has coordinates","264072","2021-04-13","07:31:32",""
"1561673","14.316","0.002","11.1307","0.0016","7.2093","0.001","90","","90.246","0.002","90","","1148.8","0.3","200","2","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As4 Ba3 In2 -","- As4 Ba3 In2 -","- As16 Ba12 In8 -","4","0.5","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.0193","0.0162","","","0.0324","0.0334","","","","","","1.019","","","","has coordinates","264073","2021-04-13","07:37:10",""
"1561674","6.8262","0.0007","16.513","0.0017","4.4132","0.0005","90","","90","","90","","497.46","0.09","200","2","200","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As4 Eu3 In2 -","- As4 Eu3 In2 -","- As8 Eu6 In4 -","2","0.25","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.024","0.0206","","","0.0418","0.0426","","","","","","1.072","","","","has coordinates","264074","2021-04-13","07:39:22",""
"1561675","11.8713","0.0019","13.776","0.002","4.3467","0.0007","90","","90","","90","","710.86","0.19","200","2","199.99","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- As6 Eu5 In2 -","- As6 Eu5 In2 -","- As12 Eu10 In4 -","2","0.25","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.0605","0.0358","","","0.0691","0.0773","","","","","","0.984","","","","has coordinates","264075","2021-04-13","07:40:44",""
"1561676","6.9362","0.0004","16.6757","0.0009","4.4287","0.0002","90","","90","","90","","512.25","0.05","200","2","200.01","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As4 In2 Sr3 -","- As4 In2 Sr3 -","- As8 In4 Sr6 -","2","0.25","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.0167","0.0156","","","0.0362","0.0366","","","","","","1.162","","","","has coordinates","264076","2021-04-13","07:42:05",""
"1561677","12.039","0.002","13.936","0.003","4.382","0.0008","90","","90","","90","","735.2","0.2","200","2","199.99","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- As6 In2 Sr5 -","- As6 In2 Sr5 -","- As12 In4 Sr10 -","2","0.25","","Childs, Amanda B.; Baranets, Sviatoslav; Bobev, Svilen","Five new ternary indium-arsenides discovered. Synthesis and structural characterization of the Zintl phases Sr3In2As4, Ba3In2As4, Eu3In2As4, Sr5In2As6 and Eu5In2As6","Journal of Solid State Chemistry","2019","278","","120889","","10.1016/j.jssc.2019.07.050","","","0.71073","MoKα","","0.0729","0.0451","","","0.0921","0.1026","","","","","","1.018","","","","has coordinates","264077","2021-04-13","07:43:08",""
"1561678","28.58","0.006","27.79","0.006","9.6693","0.0019","90","","90","","90","","7680","3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C24 H18 N10 O Zn -","- C24 H18 N10 O Zn -","- C192 H144 N80 O8 Zn8 -","8","1","","Guo, Feng; Su, Changhua; Chu, Zepeng; Zhao, Minghui","A highly stable 3D metal−organic framework for selectively luminescent sensing and knoevenagel condensation reaction","Journal of Solid State Chemistry","2019","277","","25","31","10.1016/j.jssc.2019.05.036","","","0.71073","MoKα","","0.0777","0.0593","","","0.1897","0.2009","","","","","","1.055","","","","has coordinates","264078","2021-04-13","07:55:56",""
"1561679","10.2032","0.0008","16.9556","0.0013","18.7518","0.0014","90","","95.024","0.005","90","","3231.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H14 Mn2 N0 O11 -","- C29 H14 Mn2 O11 -","- C58 H28 Mn4 O22 -","2","1","","Duan, Xing; Lv, Ran; Shi, Zhenzong; Wang, Chao; Li, Hecheng; Ge, Jingyuan; Ji, Zhenguo; Yang, Yu; Li, Bin; Qian, Guodong","A new metal-organic framework with suitable pore size and ttd-type topology revealing highly selective adsorption and separation of organic dyes","Journal of Solid State Chemistry","2019","277","","159","162","10.1016/j.jssc.2019.06.012","","","0.71073","MoKα","","0.0934","0.0565","","","0.1342","0.1501","","","","","","0.965","","","","has coordinates","264079","2021-04-13","08:23:14",""
"1561680","12.0074","0.0001","12.0074","0.0001","7.8979","0.0001","90","","90","","120","","986.144","0.017","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- K Mo O7 Te1.67 -","- K Mo O7 Te1.66667 -","- K6 Mo6 O42 Te10 -","6","1","","Fukina, D.G.; Suleimanov, E.V.; Nezhdanov, A.V.; Istomin, L.A.","The new tellurium compounds: Na1.5Te2Mo0.5O6.25 and K6(Te94+Te6+)Mo6O42","Journal of Solid State Chemistry","2019","277","","337","345","10.1016/j.jssc.2019.06.024","","","0.71073","MoKα","","0.0331","0.0331","","","0.0711","0.0711","","","","","","1.202","","","","has coordinates,has disorder","264080","2021-04-13","08:37:15",""
"1561681","5.4087","0.0003","5.4087","0.0003","5.4087","0.0003","90","","90","","90","","158.226","0.015","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Mo0.5 Na1.5 O6.25 Te2 -","- Mo0.4992 Na1.4976 O6.2496 Te1.9968 -","- Mo0.4992 Na1.4976 O6.2496 Te1.9968 -","1","0.00520833","","Fukina, D.G.; Suleimanov, E.V.; Nezhdanov, A.V.; Istomin, L.A.","The new tellurium compounds: Na1.5Te2Mo0.5O6.25 and K6(Te94+Te6+)Mo6O42","Journal of Solid State Chemistry","2019","277","","337","345","10.1016/j.jssc.2019.06.024","","","0.71073","MoKα","","0.06","0.06","","","0.1791","0.1791","","","","","","1.202","","","","has coordinates","264080","2021-04-13","08:37:20",""
"1561682","15.5443","0.001","16.385","0.001","21.9653","0.0014","75.265","0.002","82.738","0.002","62.625","0.002","4804.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H126 Mo12 N12 O94.5 P12 Zn11 -","- C144 H126 Mo12 N12 O94.5 P12 Zn11 -","- C144 H126 Mo12 N12 O94.5 P12 Zn11 -","1","0.5","","Wang, Lusha; Dong, Baichuan; Xu, Xinxin; Wang, Yi","Molybdophosphate derived MoP based electrocatalyst as cathode for Sn‒H+ battery to generate H2 and electricity simultaneously","Journal of Solid State Chemistry","2019","277","","602","610","10.1016/j.jssc.2019.07.017","","","0.71073","MoKα","","0.0468","0.0313","","","0.0693","0.0744","","","","","","1.022","","","","has coordinates,has disorder","264081","2021-04-13","08:57:22",""
"1561683","18.3548","0.0005","9.4095","0.0002","9.0552","0.0002","90","","94.461","0.001","90","","1559.18","0.06","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H10 N6 O6 Pb -","- C12 H10 N6 O6 Pb -","- C48 H40 N24 O24 Pb4 -","4","1","","Sun, Jiayin; Liu, Lu; Cheng, Fangfang; Hu, Meng; Qin, Wei; Huang, Rongyi; Wu, Genhua","A homochiral lead(II) double-stranded helical coordination network as luminescent sensor for iron(III)","Journal of Solid State Chemistry","2019","277","","769","772","10.1016/j.jssc.2019.05.049","","","0.71073","MoKα","","0.0546","0.0528","","","0.1271","0.1307","","","","","","1.171","","","","has coordinates","264082","2021-04-13","09:16:48",""
"1563785","6.2031","0.0004","8.6599","0.0004","12.1853","0.0007","77.13","0.005","76.207","0.005","82.987","0.005","618.08","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 N2 O9 S V -","- C7 H14 N2 O9 S V -","- C14 H28 N4 O18 S2 V2 -","2","1","","Zhang, Ying; Lin, Longzhen; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Organically templated metal sulfate-oxalates: Solvent-free synthesis, crystal structure, and proton conduction","Journal of Solid State Chemistry","2019","276","","1","5","10.1016/j.jssc.2019.04.031","","x-ray","1.54184","CuKα","","0.0456","0.0436","","","0.115","0.1179","","","","","","1.058","","","","has coordinates","266801","2021-06-30","07:08:37",""
"1563786","14.6293","0.0003","15.6671","0.0003","17.3579","0.0003","90","","90","","90","","3978.41","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Mn2 N2 O14 S -","- C11 H24 Mn2 N2 O14 S -","- C88 H192 Mn16 N16 O112 S8 -","8","1","","Zhang, Ying; Lin, Longzhen; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Organically templated metal sulfate-oxalates: Solvent-free synthesis, crystal structure, and proton conduction","Journal of Solid State Chemistry","2019","276","","1","5","10.1016/j.jssc.2019.04.031","","x-ray","1.54184","CuKα","","0.0583","0.0521","","","0.1408","0.1478","","","","","","1.023","","","","has coordinates,has disorder","266801","2021-06-30","07:08:41",""
"1563787","9.5655","0.0001","28.3065","0.0003","30.0116","0.0003","90","","90","","90","","8126.12","0.15","100.01","0.1","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- K0.1 Mg2 Na1.9 O12 S3 -","- K0.104889 Mg2 Na1.89511 O12 S3 -","- K3.776 Mg72 Na68.224 O432 S108 -","36","9","","Trussov, I.A.; Driscoll, L.L.; Male, L.L.; Sanjuan, M.L.; Orera, A.; Slater, P.R.","Synthesis and structures of sodium containing K2-xNaxMg2(SO4)3 langbeinite phases","Journal of Solid State Chemistry","2019","276","","37","46","10.1016/j.jssc.2019.04.036","","","1.54184","CuKα","","0.0288","0.0266","","","0.0694","0.071","","","","","","1.064","","","","has coordinates,has disorder","266802","2021-06-30","07:13:19",""
"1563788","3.936","0.0006","3.936","0.0006","6.913","0.0014","90","","90","","90","","107.1","0.03","100","2","100","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Pd5 Se Zn -","- Pd5 Se Zn -","- Pd5 Se Zn -","1","0.0625","","Zakharova, Elena Yu.; Dobroljubov, Egor O.; Kazakov, Sergey M.; Khrustalev, Victor N.; Kuznetsov, Alexey N.","Ternary palladium ‒ Group 12 metal compounds of the Pd5TlAs-type: A case study","Journal of Solid State Chemistry","2019","276","","217","225","10.1016/j.jssc.2019.05.009","","","0.80246","synchrotron","","0.0362","0.0361","","","0.0802","0.0804","","","","","","0.915","","","","has coordinates","266803","2021-06-30","07:25:40",""
"1563789","12.3657","0.0019","12.3657","0.0019","12.59","0.004","90","","90","","120","","1667.2","0.6","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H6 Cl Cu5 N36 -","- C9 H3 Cl Cu5 N36 -","- C18 H6 Cl2 Cu10 N72 -","2","0.0833333","","Gao, Hui; Liu, Min-Min; Zhai, Quan-Guo; Wei, Xing-Xing; Yang, Jin-Xiang; Zhang, Xian-Ming","Continuous regulation of the architectures of cupric tetrazolate coordination polymers via the pH and temperature","Journal of Solid State Chemistry","2019","276","","244","250","10.1016/j.jssc.2019.05.014","","","0.71073","MoKα","","0.1098","0.0744","","","0.1595","0.1751","","","","","","1.223","","","","has coordinates","266804","2021-06-30","08:59:18",""
"1563790","9.2922","0.0018","23.934","0.005","12.29","0.003","90","","90","","90","","2733.3","1","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H3 Cl Cu3 N12 O2 -","- C3 H3 Cl Cu3 N12 O2 -","- C24 H24 Cl8 Cu24 N96 O16 -","8","1","","Gao, Hui; Liu, Min-Min; Zhai, Quan-Guo; Wei, Xing-Xing; Yang, Jin-Xiang; Zhang, Xian-Ming","Continuous regulation of the architectures of cupric tetrazolate coordination polymers via the pH and temperature","Journal of Solid State Chemistry","2019","276","","244","250","10.1016/j.jssc.2019.05.014","","","0.71073","MoKα","","0.101","0.0707","","","0.1926","0.2092","","","","","","1.095","","","","has coordinates","266804","2021-06-30","08:59:22",""
"1564527","11.1615","0.00005","11.1615","0.00005","21.63017","0.00019","90","","90","","120","","2333.65","0.03","","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Ca6 Cr2 H64 O50 S3 -","- Ca6 Cr2 H60 O51 S3 -","- Ca12 Cr4 H120 O102 S6 -","2","0.333333","","Yurii V. Seryotkin; Ella V. Sokol; Svetlana N. Kokh; Victor V. Sharygin","Natural bentorite-Cr3+ derivate of ettringite: determination of crystal structure","Physics and Chemistry of Minerals","2019","46","","553","570","10.1007/s00269-019-01022-4","powder diffraction","x-ray","0.39996","synchrotron","","","","","","","","0.0655","","","","","3.33","","","","has coordinates","268361","2021-09-02","09:00:00",""
"1564528","11.1927","0.0005","11.1927","0.0005","21.7121","0.001","90","","90","","120","","2355.6","0.18","293","","","","","","","","","","Arad Stone Quarry,Hatrurim Complex, Israel","7","P 3 1 c","P 3 -2c","159","","","bentorite","- C0.499 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 -","- C0.5 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 -","- C H120 Al0.774 Ca12 Cr3.226 O99.45 S5.5 -","2","0.333333","","Juroszek, Rafał; Krüger, Biljana; Galuskina, Irina; Krüger, Hannes; Tribus, Martina; Kürsten, Christian","Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O","Minerals","2019","10","1","38","","10.3390/min10010038","","x-ray","0.71073","MoKα","","0.0756","0.0388","","","0.0423","0.0454","","","","2.19","2.19","1.91","","","","has coordinates","268362","2021-09-02","09:04:05",""
"1564830","10.0842","0.0011","11.2186","0.0011","14.1105","0.001","72.875","0.008","83.039","0.007","63.876","0.01","1369.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 B F4 N O -","- C27 H38 B F4 N O -","- C54 H76 B2 F8 N2 O2 -","2","1","","Klementyeva, S.V.; Abramov, P.A.; Somov, N.V.; Dudkina, Yu.B.; Budnikova, Yu.H.; sky, A.I.","Deprotonation of Benzoxazolium Salt: Trapping of a Radical-Cation Intermediate","Organic Letters","2019","21","4","946","950","10.1021/acs.orglett.8b03928","","","0.71073","MoKα","","0.1868","0.0622","","","0.1261","0.1482","","","","","","0.749","","","","has coordinates","269585","2021-10-05","10:48:00",""
"1564831","10.7071","0.0007","19.5593","0.0008","22.8987","0.0011","90","","90","","90","","4795.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","1","","Klementyeva, S.V.; Abramov, P.A.; Somov, N.V.; Dudkina, Yu.B.; Budnikova, Yu.H.; sky, A.I.","Deprotonation of Benzoxazolium Salt: Trapping of a Radical-Cation Intermediate","Organic Letters","2019","21","4","946","950","10.1021/acs.orglett.8b03928","","","0.71073","MoKα","","0.1822","0.0711","","","0.1016","0.1332","","","","","","0.803","","","","has coordinates","269586","2021-10-05","10:48:21",""
"1565134","3.9876","0.0001","3.9876","0.0001","3.9876","0.0001","90","","90","","90","","63.407","0.003","","","298","","","","100","","","","","12","P m -3 m","-P 4 2 3","221","(K0.50La0.15Sr0.13Ba0.09Ce0.08)(Nb0.70Cr0.19Fe0.05Al0.01Mg0.04Ti0.01)O3","","goldschmidtite","- Al0.01 Ba0.09 Ce0.08 Cr0.19 Fe0.05 K0.5 La0.15 Mg0.04 Nb0.7 O3 Sr0.13 Ti0.01 -","- Al0.0139 Ba0.0922 Ce0.0778 Cr0.192 Fe0.0509 K0.504 La0.1498 Mg0.035 Nb0.695 O3 Sr0.1329 Ti0.011 -","- Al0.0139 Ba0.0922 Ce0.0778 Cr0.192 Fe0.0509 K0.504 La0.1498 Mg0.035 Nb0.695 O3 Sr0.1329 Ti0.011 -","1","0.0208333","","Meyer, N.A.; Wenz, M.D.; Walsh, J.P.S.; Jacobsen, S.D.; Locock, A.J.; Harris, J.W.","Goldschmidtite, (K,REE,Sr)(Nb,Cr)O3: A new perovskite supergroup mineral found in diamond from Koffefontein, South Africa","American Mineralogist","2019","104","","1345","1350","10.2138/am-2019-6937","","","","","","","","","","","","","","","","","","","","","has coordinates","270340","2021-11-06","05:22:41",""
"1565721","8.9967","0.0007","12.7415","0.0007","13.8223","0.0011","90","","90","","90","","1584.5","0.2","150","0.1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 N2 Zn -","- C14 H16 Br2 N2 Zn -","- C56 H64 Br8 N8 Zn4 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.065","0.0374","","","0.0633","0.0719","","","","","","0.931","","","","has coordinates","271381","2021-12-14","08:43:47",""
"1565722","9.0139","0.0008","12.7646","0.001","13.8","0.0011","90","","90","","90","","1587.8","0.2","150","0.1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 N2 Zn -","- C14 H16 Br2 N2 Zn -","- C56 H64 Br8 N8 Zn4 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.0722","0.0503","","","0.0807","0.0859","","","","","","0.967","","","","has coordinates","271381","2021-12-14","08:43:54",""
"1565723","9.03","0.001","12.771","0.001","13.805","0.001","90","","90","","90","","1592","0.2","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 Co N2 -","- C14 H16 Br2 Co N2 -","- C56 H64 Br8 Co4 N8 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.0266","0.0235","","","0.0504","0.052","","","","","","1.074","","","","has coordinates","271381","2021-12-14","08:44:09",""
"1565724","8.531","0.002","13.271","0.003","13.849","0.003","90","0.03","90","0.03","90","0.03","1567.9","0.6","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 Co N2 -","- C14 H16 Br2 Co N2 -","- C56 H64 Br8 Co4 N8 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.0666","0.0547","","","0.1331","0.1436","","","","","","1.126","","","","has coordinates","271381","2021-12-14","08:44:13",""
"1565725","7.0788","0.0002","8.364","0.0002","11.4416","0.0004","107.115","0.002","99.326","0.002","102.718","0.001","612.56","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Co N O10 -","- C7 H15 Co N O10 -","- C14 H30 Co2 N2 O20 -","2","1","","Mohd. Nashre-ul-Islam, Swah; Dutta, Debajit; Sharma, Pranay; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.","Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies","Inorganica Chimica Acta","2019","498","","119108","","10.1016/j.ica.2019.119108","","","0.71073","MoKα","","0.0243","0.0229","","","0.0605","0.0624","","","","","","1.097","","","","has coordinates","271382","2021-12-14","08:54:42",""
"1565726","7.0957","0.0004","8.3505","0.0005","11.4684","0.0009","107.13","0.005","99.493","0.004","102.789","0.003","613.67","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Mn N O10 -","- C7 H15 Mn N O10 -","- C14 H30 Mn2 N2 O20 -","2","1","","Mohd. Nashre-ul-Islam, Swah; Dutta, Debajit; Sharma, Pranay; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.","Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies","Inorganica Chimica Acta","2019","498","","119108","","10.1016/j.ica.2019.119108","","","0.71073","MoKα","","0.0526","0.0478","","","0.1382","0.142","","","","","","1.09","","","","has coordinates","271382","2021-12-14","08:54:47",""
"1565727","5.0844","0.0001","12.9078","0.0003","23.7918","0.0006","90","","92.651","0.001","90","","1559.75","0.06","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 I4 N4 O6 Pd -","- C24 H30 I4 N4 O6 Pd -","- C48 H60 I8 N8 O12 Pd2 -","2","0.5","","Jebastin Andrews, S.G.; Benita Jeba Silviya, S.; Bhuvanesh, Nattamai S.P.; Janet Sylvia Jaba Rose, J.; Winfred Jebaraj, J.; Balakrishnan, Chithiraivel","Crystal structure and evaluating C H⋯π (aryl/chelate) interactions in bis(2-{[(2-hydroxyethyl)imino]-methyl}-4,6-diiodophenolato)-palladium(II) Schiff base complex derived from (E)-2-(((2-hydroxyethyl)imino)methyl)-4,6-diiodophenol","Inorganica Chimica Acta","2019","498","","119118","","10.1016/j.ica.2019.119118","","x-ray","0.71073","MoKα","","0.0251","0.0226","","","0.0445","0.0456","","","","","","1.183","","","","has coordinates","271383","2021-12-14","08:59:45",""
"1565728","11.4502","0.0003","9.3869","0.0002","21.4088","0.0004","90","","92.606","0.002","90","","2298.68","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 I2 N3 Pd -","- C22 H23 I2 N3 Pd -","- C88 H92 I8 N12 Pd4 -","4","1","","Modak, Sudipta; Borah, Suchibrata; Prakasham, A.P.; Shaikh, Mobin M.; Butcher, Raymond J.; Gangwar, Manoj; Ghosh, Prasenjit","A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)2PdX2 (X = I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a]pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions","Inorganica Chimica Acta","2019","498","","119090","","10.1016/j.ica.2019.119090","","","0.71073","MoKα","","0.0692","0.0328","","","0.0567","0.0615","","","","","","0.802","","","","has coordinates","271384","2021-12-14","09:20:05",""
"1565729","11.5941","0.0002","20.2789","0.0004","22.1269","0.0004","76.924","0.002","89.181","0.001","86.862","0.001","5059.88","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl12 I2 N4 Pd -","- C38 H40 Cl12 I2 N4 Pd -","- C152 H160 Cl48 I8 N16 Pd4 -","4","2","","Modak, Sudipta; Borah, Suchibrata; Prakasham, A.P.; Shaikh, Mobin M.; Butcher, Raymond J.; Gangwar, Manoj; Ghosh, Prasenjit","A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)2PdX2 (X = I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a]pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions","Inorganica Chimica Acta","2019","498","","119090","","10.1016/j.ica.2019.119090","","","0.71073","MoKα","","0.1004","0.0735","","","0.157","0.1688","","","","","","1.069","","","","has coordinates,has disorder","271384","2021-12-14","09:20:16",""
"1565730","10.8346","0.0003","9.3139","0.0002","22.1383","0.0007","90","","93.977","0.002","90","","2228.65","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F I2 N3 Pd -","- C21 H20 F I2 N3 Pd -","- C84 H80 F4 I8 N12 Pd4 -","4","1","","Modak, Sudipta; Borah, Suchibrata; Prakasham, A.P.; Shaikh, Mobin M.; Butcher, Raymond J.; Gangwar, Manoj; Ghosh, Prasenjit","A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)2PdX2 (X = I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a]pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions","Inorganica Chimica Acta","2019","498","","119090","","10.1016/j.ica.2019.119090","","","0.71073","MoKα","","0.0616","0.0305","","","0.0556","0.0597","","","","","","0.827","","","","has coordinates","271384","2021-12-14","09:20:22",""
"1565731","11.98592","0.00015","23.4174","0.0003","16.3999","0.0002","90","","107.125","0.0014","90","","4399.02","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 Cl9 F2 I2 N4 Pd -","- C34.999 H32.999 Cl8.997 F2 I2 N4 Pd -","- C139.996 H131.996 Cl35.988 F8 I8 N16 Pd4 -","4","1","","Modak, Sudipta; Borah, Suchibrata; Prakasham, A.P.; Shaikh, Mobin M.; Butcher, Raymond J.; Gangwar, Manoj; Ghosh, Prasenjit","A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)2PdX2 (X = I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a]pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions","Inorganica Chimica Acta","2019","498","","119090","","10.1016/j.ica.2019.119090","","","0.71073","MoKα","","0.0563","0.0475","","","0.1046","0.1079","","","","","","1.078","","","","has coordinates,has disorder","271384","2021-12-14","09:20:35",""
"1565732","22.681","0.007","12.34","0.004","13.694","0.004","90","","90.146","0.004","90","","3833","2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Co2 N4 O12 -","- C36 H50 Co2 N4 O12 -","- C144 H200 Co8 N16 O48 -","4","1","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.1089","0.0812","","","0.1649","0.1752","","","","","","1.199","","","","has coordinates,has disorder","271385","2021-12-14","09:31:01",""
"1565733","10.655","0.007","10.152","0.007","11.788","0.008","90","","112.724","0.01","90","","1176.1","1.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Co N4 O6 -","- C24 H28 Co N4 O6 -","- C48 H56 Co2 N8 O12 -","2","1","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.248","0.1166","","","0.2378","0.3138","","","","","","0.946","","","","has coordinates","271386","2021-12-14","09:31:15",""
"1565734","10.1393","0.0017","13.651","0.002","13.221","0.002","90","","97.637","0.002","90","","1813.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Co2 N4 O12 -","- C34 H46 Co2 N4 O12 -","- C68 H92 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.0671","0.0607","","","0.1597","0.1633","","","","","","1.104","","","","has coordinates,has disorder","271387","2021-12-14","09:31:28",""
"1565735","20.518","0.004","9.241","0.002","15.071","0.003","90","","90","","90","","2857.6","1","173","2","173.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H34 Co N4 O6 -","- C28 H34 Co N4 O6 -","- C112 H136 Co4 N16 O24 -","4","1","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.138","0.1025","","","0.2582","0.28","","","","","","1.045","","","","has coordinates,has disorder","271388","2021-12-14","09:31:44",""
"1565736","12.5972","0.001","23.6951","0.0019","13.4045","0.0011","90","","90.267","0.001","90","","4001.1","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Co2 N4 O12 -","- C35 H48 Co2 N4 O12 -","- C140 H192 Co8 N16 O48 -","4","1","","Przybyla, Jack J.; Ezenyilimba, Frederick C.; LaDuca, Robert L.","Structural diversity in cobalt camphorate coordination polymers with flexible dipyridylamide ligands including looped layers and self-penetrated topologies","Inorganica Chimica Acta","2019","498","","119087","","10.1016/j.ica.2019.119087","","","0.71073","MoKα","","0.1343","0.0904","","","0.2578","0.2907","","","","","","1.051","","","","has coordinates,has disorder","271389","2021-12-14","09:32:03",""
"1565737","8.278","0.003","9.383","0.003","12.172","0.004","87.973","0.009","85.334","0.009","76.965","0.007","917.9","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl4 N3 O2 P3 -","- C12 H8 Cl4 N3 O2 P3 -","- C24 H16 Cl8 N6 O4 P6 -","2","1","","İbişoğlu, Hanife; Erdemir, Eda; Atilla, Devrim; Zorlu, Yunus; Şenkuytu, Elif","Synthesis, characterization and photophysical properties of cyclotriphosphazenes including heterocyclic rings","Inorganica Chimica Acta","2019","498","","119120","","10.1016/j.ica.2019.119120","","","0.71073","MoKα","","0.0603","0.0486","","","0.1414","0.16","","","","","","1.133","","","","has coordinates","271390","2021-12-14","09:39:56",""
"1565738","9.5764","0.0006","18.2189","0.0012","35.88","0.002","90","","90","","90","","6260","0.7","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N11 O3 P3 -","- C28 H28 N11 O3 P3 -","- C224 H224 N88 O24 P24 -","8","1","","İbişoğlu, Hanife; Erdemir, Eda; Atilla, Devrim; Zorlu, Yunus; Şenkuytu, Elif","Synthesis, characterization and photophysical properties of cyclotriphosphazenes including heterocyclic rings","Inorganica Chimica Acta","2019","498","","119120","","10.1016/j.ica.2019.119120","","","0.71073","MoKα","","0.1647","0.0726","","","0.1633","0.2026","","","","","","1.045","","","","has coordinates,has disorder","271391","2021-12-14","09:40:15",""
"1565739","12.767","0.0009","18.4106","0.0013","17.9667","0.0012","90","","106.349","0.004","90","","4052.3","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N11 O2 P3 -","- C40 H28 N11 O2 P3 -","- C160 H112 N44 O8 P12 -","4","1","","İbişoğlu, Hanife; Erdemir, Eda; Atilla, Devrim; Zorlu, Yunus; Şenkuytu, Elif","Synthesis, characterization and photophysical properties of cyclotriphosphazenes including heterocyclic rings","Inorganica Chimica Acta","2019","498","","119120","","10.1016/j.ica.2019.119120","","","0.71073","MoKα","","0.058","0.0411","","","0.1005","0.1095","","","","","","1.034","","","","has coordinates","271392","2021-12-14","09:40:28",""
"1565740","10.5657","0.0011","22.305","0.002","11.9038","0.0013","90","","106.86","0.003","90","","2684.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 La2 N10 O4 S8 -","- C42 H54 La2 N10 O4 S8 -","- C84 H108 La4 N20 O8 S16 -","2","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1348","0.0731","","","0.169","0.2216","","","","","","1.112","","","","has coordinates","271393","2021-12-14","10:02:48",""
"1565741","10.8385","0.0015","11.5016","0.0015","12.5627","0.0013","79.953","0.004","87.714","0.004","73.948","0.005","1481.9","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 La2 N10 O4 S8 -","- C50 H62 La2 N10 O4 S8 -","- C50 H62 La2 N10 O4 S8 -","1","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1942","0.0882","","","0.1488","0.1923","","","","","","1.035","","","","has coordinates","271394","2021-12-14","10:03:09",""
"1565742","16.368","0.0007","18.5418","0.0009","19.8671","0.0009","74.5353","0.0018","72.3561","0.0015","73.3711","0.0019","5397.7","0.4","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H48 Cl4 N10 O2 Pr2 S8 -","- C40 H48 Cl4 N10 O2 Pr2 S8 -","- C160 H192 Cl16 N40 O8 Pr8 S32 -","4","2","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1377","0.0627","","","0.1832","0.227","","","","","","1.061","","","","has coordinates","271395","2021-12-14","10:03:27",""
"1565743","10.8569","0.0008","11.5007","0.0008","12.4732","0.0008","79.695","0.003","87.949","0.004","73.625","0.005","1469.97","0.18","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N10 O4 Pr2 S8 -","- C50 H62 N10 O4 Pr2 S8 -","- C50 H62 N10 O4 Pr2 S8 -","1","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1002","0.0526","","","0.1145","0.1601","","","","","","1.121","","","","has coordinates","271396","2021-12-14","10:03:38",""
"1565744","11.4229","0.0006","15.3318","0.0005","19.2918","0.0006","67.825","0.001","75.721","0.003","69.064","0.003","2897.7","0.2","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H48 Cl6 N10 Nd2 O3 S8 -","- C41 H48 Cl6 N10 Nd2 O3 S8 -","- C82 H96 Cl12 N20 Nd4 O6 S16 -","2","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.0933","0.063","","","0.1727","0.2109","","","","","","1.111","","","","has coordinates","271397","2021-12-14","10:03:52",""
"1565745","9.92","","11.38","","15.197","","72.46","","84.42","","89.79","","1627.47","","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H30 Cl4 N5 Nd O S4 -","- C25 H30 Cl4 N5 Nd O S4 -","- C50 H60 Cl8 N10 Nd2 O2 S8 -","2","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.0637","0.0554","","","0.1482","0.1599","","","","","","1.061","","","","has coordinates","271398","2021-12-14","10:04:06",""
"1565746","10.837","0.0014","11.4378","0.0012","12.4842","0.0015","79.633","0.003","87.7","0.003","73.772","0.003","1461.4","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N10 Nd2 O4 S8 -","- C50 H62 N10 Nd2 O4 S8 -","- C50 H62 N10 Nd2 O4 S8 -","1","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.078","0.0511","","","0.1146","0.1468","","","","","","1.11","","","","has coordinates","271399","2021-12-14","10:04:25",""
"1565747","9.6034","0.0013","11.6343","0.0015","11.9327","0.0018","112.088","0.004","100.897","0.004","92.447","0.005","1203.6","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 N10 O2 S8 Sm2 -","- C38 H44 N10 O2 S8 Sm2 -","- C38 H44 N10 O2 S8 Sm2 -","1","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1694","0.0795","","","0.1836","0.2726","","","","","","1.104","","","","has coordinates","271400","2021-12-14","10:04:46",""
"1565748","9.8617","0.0011","11.4222","0.0009","15.1507","0.0014","72.438","0.002","84.37","0.004","89.843","0.004","1618.6","0.3","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 Cl8 N10 O2 S8 Sm2 -","- C50 H56 Cl8 N10 O2 S8 Sm2 -","- C50 H56 Cl8 N10 O2 S8 Sm2 -","1","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.0421","0.0396","","","0.1177","0.1195","","","","","","1.068","","","","has coordinates","271401","2021-12-14","10:04:57",""
"1565749","9.6169","0.0016","11.571","0.002","11.92","0.002","112.243","0.003","100.984","0.003","92.196","0.004","1196.3","0.4","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Eu2 N10 O2 S8 -","- C38 H44 Eu2 N10 O2 S8 -","- C38 H44 Eu2 N10 O2 S8 -","1","0.5","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.0813","0.0488","","","0.1249","0.1903","","","","","","1.191","","","","has coordinates","271402","2021-12-14","10:05:09",""
"1565750","35.816","0.003","9.9959","0.0006","21.716","0.002","90","","122.602","0.003","90","","6549.6","0.9","273","2","273","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C49 H55 Cl9 Eu2 N10 O2 S8 -","- C49 H55 Cl9 Eu2 N10 O2 S8 -","- C196 H220 Cl36 Eu8 N40 O8 S32 -","4","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.0607","0.0578","","","0.148","0.1512","","","","","","1.047","","","","has coordinates","271403","2021-12-14","10:05:26",""
"1565751","12.087","0.0008","7.5053","0.0006","25.0504","0.0018","90","","90","","90","","2272.5","0.3","188","2","188","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1152","0.0638","","","0.1199","0.141","","","","","","1.035","","","","has coordinates","271404","2021-12-14","10:05:40",""
"1565752","19.9827","0.0014","7.6423","0.0005","20.1616","0.001","90","","119.707","0.005","90","","2674.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N18 O4 Zn4 -","- C14 H14 N18 O4 Zn4 -","- C56 H56 N72 O16 Zn16 -","4","1","","Zou, Ji-Yong; Li, Ling; You, Sheng-Yong; Zhang, Shao-Wei","A zinc(II) triazolate framework with luminescence response toward dichromate anion in aqueous solution","Inorganica Chimica Acta","2019","498","","119126","","10.1016/j.ica.2019.119126","","","0.71073","MoKα","","0.1284","0.0923","","","0.2375","0.2703","","","","","","1.075","","","","has coordinates,has disorder","271405","2021-12-14","10:21:07",""
"1565753","11.2216","0.0011","11.471","0.0011","15.0558","0.0016","90","","92.77","0.006","90","","1935.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cu I N6 -","- C20 H16 Cu I N6 -","- C80 H64 Cu4 I4 N24 -","4","1","","Nuñez-Dallos, Nelson; Muñoz-Castro, Alvaro; Fuentealba, Mauricio; Pérez, Edwin G.; Hurtado, John J.","Facile synthesis of a luminescent copper(I) coordination polymer containing a flexible benzotriazole-based ligand: An effective catalyst for three-component azide-alkyne cycloaddition","Inorganica Chimica Acta","2019","498","","119136","","10.1016/j.ica.2019.119136","","","1.54178","CuKα","","0.0984","0.0591","","","0.1155","0.1347","","","","","","1.062","","","","has coordinates","271406","2021-12-14","10:26:54",""
"1565754","11.0255","0.0002","11.1869","0.0002","11.5437","0.0002","74.37","0.001","68.65","0.001","88.99","0.001","1271.92","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br2 N20 Re6 S8 -","- C30 H40 Br2 N20 Re6 S8 -","- C30 H40 Br2 N20 Re6 S8 -","1","0.5","","Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.","Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole","Inorganica Chimica Acta","2019","498","","119128","","10.1016/j.ica.2019.119128","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0548","0.056","","","","","","1.025","","","","has coordinates","271407","2021-12-14","10:34:19",""
"1565755","11.4459","0.0006","11.5271","0.0006","11.5348","0.0005","74.662","0.001","64.325","0.001","88.03","0.002","1317.12","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br2 N20 Re6 Se8 -","- C30 H40 Br2 N20 Re6 Se8 -","- C30 H40 Br2 N20 Re6 Se8 -","1","0.5","","Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.","Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole","Inorganica Chimica Acta","2019","498","","119128","","10.1016/j.ica.2019.119128","","x-ray","0.71073","MoKα","","0.0304","0.0235","","","0.0521","0.0541","","","","","","0.998","","","","has coordinates,has disorder","271408","2021-12-14","10:34:31",""
"1565756","11.1562","0.0013","16.637","0.002","20.729","0.003","90","","99.722","0.004","90","","3792.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N12 Re6 Se8 -","- C18 H24 Cl2 N12 Re6 Se8 -","- C72 H96 Cl8 N48 Re24 Se32 -","4","1","","Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.","Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole","Inorganica Chimica Acta","2019","498","","119128","","10.1016/j.ica.2019.119128","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0866","0.0913","","","","","","1.049","","","","has coordinates","271409","2021-12-14","10:34:49",""
"1565757","11.8451","0.0002","17.9278","0.0004","13.5985","0.0003","90","","92.494","0.001","90","","2885","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl2 N16 Re6 S8 -","- C40 H64 Cl2 N16 Re6 S8 -","- C80 H128 Cl4 N32 Re12 S16 -","2","0.5","","Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.","Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole","Inorganica Chimica Acta","2019","498","","119128","","10.1016/j.ica.2019.119128","","x-ray","0.71073","MoKα","","0.0187","0.0164","","","0.0343","0.0348","","","","","","1.09","","","","has coordinates","271410","2021-12-14","10:35:05",""
"1565758","12.0119","0.0014","18.418","0.002","13.5776","0.0016","90","","92.312","0.004","90","","3001.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl2 N16 Re6 Se8 -","- C40 H64 Cl2 N16 Re6 Se8 -","- C80 H128 Cl4 N32 Re12 Se16 -","2","0.5","","Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.","Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole","Inorganica Chimica Acta","2019","498","","119128","","10.1016/j.ica.2019.119128","","x-ray","0.71073","MoKα","","0.026","0.0186","","","0.0413","0.0431","","","","","","1.029","","","","has coordinates","271411","2021-12-14","10:35:20",""
"1565759","11.9862","0.0003","18.3423","0.0004","13.9478","0.0003","90","","93.842","0.001","90","","3059.59","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 I2 N16 Re6 Se8 -","- C40 H64 I2 N16 Re6 Se8 -","- C80 H128 I4 N32 Re12 Se16 -","2","0.5","","Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A.","Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole","Inorganica Chimica Acta","2019","498","","119128","","10.1016/j.ica.2019.119128","","x-ray","0.71073","MoKα","","0.0318","0.0231","","","0.0423","0.0441","","","","","","0.974","","","","has coordinates","271412","2021-12-14","10:35:34",""
"1565760","7.81","0.004","15.317","0.006","13.81","0.005","90","","116.99","0.02","90","","1472.1","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Thiocyanatoisonicotinatodiethanolcadmium(II)","","- C11 H16 Cd N2 O4 S -","- C11 H16 Cd N2 O4 S -","- C44 H64 Cd4 N8 O16 S4 -","4","1","","Souri, Bagher; Reza Rezvani, Ali; Abbasi, Soheila; Hayati, Payam; Centore, Roberto","An investigation on the morphology of a new coordination polymer via change effective factors based on eco-friendly sonochemical synthesis; new precursor for the preparation of cadmium(II) oxide","Inorganica Chimica Acta","2019","498","","119134","","10.1016/j.ica.2019.119134","","x-ray","0.71073","MoKα","","0.032","0.024","","","0.056","0.061","","","","","","1.103","","","","has coordinates","271413","2021-12-14","10:40:43",""
"1565761","16.086","0.003","22.565","0.004","4.4482","0.0007","90","","90","","90","","1614.6","0.5","102","2","102","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C12 H20 N2 Pb S4 -","- C12 H20 N2 Pb S4 -","- C48 H80 N8 Pb4 S16 -","4","1","","Mlowe, Sixberth; Shombe, Ginena B.; Akerman, Matthew P.; Mubofu, Egid B.; O'Brien, Paul; Mashazi, Philani; Nyokong, Tebello; Revaprasadu, Neerish","Morphological influence of deposition routes on lead sulfide thin films","Inorganica Chimica Acta","2019","498","","119116","","10.1016/j.ica.2019.119116","","","0.71073","MoKα","","0.0226","0.0202","","","0.042","0.0427","","","","","","0.909","","","","has coordinates","271414","2021-12-14","10:44:28",""
"1565764","7.5075","0.0012","9.1655","0.0014","11.1631","0.0017","96.608","0.003","91.184","0.003","99.148","0.003","752.7","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O6 U -","- C32 H30 N4 O6 U -","- C32 H30 N4 O6 U -","1","0.5","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Highly conjugated systems with pedal motion in uranyl crotonate compounds with 1,2-bis(4-pyridyl)ethylene as a neutral ligand or a counter cation","Inorganica Chimica Acta","2019","498","","119089","","10.1016/j.ica.2019.119089","","","0.71073","MoKα","","0.0361","0.0358","","","0.0796","0.0799","","","","","","1.036","","","","has coordinates","271440","2021-12-15","09:08:32",""
"1565765","10.1617","0.0009","11.221","0.001","16.756","0.0015","104.352","0.002","103.862","0.002","103.053","0.002","1712.4","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 N4 O26 U3 -","- C56 H70 N4 O26 U3 -","- C56 H70 N4 O26 U3 -","1","0.5","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Highly conjugated systems with pedal motion in uranyl crotonate compounds with 1,2-bis(4-pyridyl)ethylene as a neutral ligand or a counter cation","Inorganica Chimica Acta","2019","498","","119089","","10.1016/j.ica.2019.119089","","x-ray","0.71073","MoKα","","0.0811","0.0444","","","0.1089","0.1234","","","","","","1.024","","","","has coordinates,has disorder","271440","2021-12-15","09:08:33",""
"1565766","10.18","0.007","11.235","0.007","16.804","0.012","105.819","0.011","101.357","0.013","102.575","0.011","1736","2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 N4 O26 U3 -","- C56 H70 N4 O26 U3 -","- C56 H70 N4 O26 U3 -","1","0.5","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Highly conjugated systems with pedal motion in uranyl crotonate compounds with 1,2-bis(4-pyridyl)ethylene as a neutral ligand or a counter cation","Inorganica Chimica Acta","2019","498","","119089","","10.1016/j.ica.2019.119089","","","0.71073","MoKα","","0.2463","0.0542","","","0.0825","0.1103","","","","","","0.986","","","","has coordinates,has disorder","271440","2021-12-15","09:08:33",""
"1565767","10.027","0.005","16.815","0.01","15.551","0.009","90","","104.504","0.013","90","","2538","2","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 N3 P Pt -","- C27 H26 Cl2 N3 P Pt -","- C108 H104 Cl8 N12 P4 Pt4 -","4","1","","Niknam, Fatemeh; Hamidizadeh, Peyman; Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Ford, Peter C.; Abu-Omar, Mahdi M.","Synthesis, structural characterization, and luminescence properties of mono- and di-nuclear platinum(II) complexes containing 2-(2-pyridyl)-benzimidazole","Inorganica Chimica Acta","2019","498","","119133","","10.1016/j.ica.2019.119133","","","0.71073","MoKα","","0.0703","0.0435","","","0.0763","0.0866","","","","","","0.972","","","","has coordinates","271441","2021-12-15","09:18:24",""
"1565768","28.739","0.012","9.095","0.003","15.149","0.005","90","","98.994","0.01","90","","3911","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl3 N3 O Pt S -","- C16 H18 Cl3 N3 O Pt S -","- C128 H144 Cl24 N24 O8 Pt8 S8 -","8","1","","Niknam, Fatemeh; Hamidizadeh, Peyman; Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Ford, Peter C.; Abu-Omar, Mahdi M.","Synthesis, structural characterization, and luminescence properties of mono- and di-nuclear platinum(II) complexes containing 2-(2-pyridyl)-benzimidazole","Inorganica Chimica Acta","2019","498","","119133","","10.1016/j.ica.2019.119133","","","0.71073","MoKα","","0.0771","0.0458","","","0.1078","0.1281","","","","","","0.845","","","","has coordinates","271441","2021-12-15","09:18:39",""
"1565769","8.275","0.005","25.122","0.014","10.608","0.008","90","","97.94","0.03","90","","2184","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 N6 P2 Pt2 -","- C52 H42 N6 P2 Pt2 -","- C104 H84 N12 P4 Pt4 -","2","0.5","","Niknam, Fatemeh; Hamidizadeh, Peyman; Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Ford, Peter C.; Abu-Omar, Mahdi M.","Synthesis, structural characterization, and luminescence properties of mono- and di-nuclear platinum(II) complexes containing 2-(2-pyridyl)-benzimidazole","Inorganica Chimica Acta","2019","498","","119133","","10.1016/j.ica.2019.119133","","","0.71073","MoKα","","0.0653","0.0418","","","0.0843","0.0931","","","","","","1.019","","","","has coordinates","271441","2021-12-15","09:18:42",""
"1565770","8.2967","0.0011","18.561","0.002","9.1728","0.0017","90","","116.883","0.003","90","","1259.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N3 P Pt -","- C31 H26 N3 P Pt -","- C62 H52 N6 P2 Pt2 -","2","1","","Niknam, Fatemeh; Hamidizadeh, Peyman; Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Ford, Peter C.; Abu-Omar, Mahdi M.","Synthesis, structural characterization, and luminescence properties of mono- and di-nuclear platinum(II) complexes containing 2-(2-pyridyl)-benzimidazole","Inorganica Chimica Acta","2019","498","","119133","","10.1016/j.ica.2019.119133","","","0.71073","MoKα","","0.0236","0.0208","","","0.0391","0.0399","","","","","","1.026","","","","has coordinates","271441","2021-12-15","09:18:54",""
"1565771","10.0007","0.0011","11.0012","0.0012","11.7141","0.0012","84.55","0.001","74.631","0.001","83.846","0.001","1232.6","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Co N4 O6 -","- C24 H34 Co N4 O6 -","- C48 H68 Co2 N8 O12 -","2","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Diverse 2D and 3D topologies in cobalt cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands","Inorganica Chimica Acta","2019","498","","119122","","10.1016/j.ica.2019.119122","","","0.71073","MoKα","","0.0647","0.0522","","","0.1355","0.1459","","","","","","1.078","","","","has coordinates,has disorder","271442","2021-12-15","09:32:56",""
"1565772","8.5566","0.0006","8.9324","0.0006","11.9675","0.0009","95.496","0.001","105.013","0.001","106.258","0.001","834.05","0.1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 Co2 N4 O10 -","- C32 H44 Co2 N4 O10 -","- C32 H44 Co2 N4 O10 -","1","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Diverse 2D and 3D topologies in cobalt cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands","Inorganica Chimica Acta","2019","498","","119122","","10.1016/j.ica.2019.119122","","","0.71073","MoKα","","0.0449","0.0407","","","0.1063","0.1104","","","","","","1.088","","","","has coordinates","271442","2021-12-15","09:32:57",""
"1565773","21.76","0.008","5.522","0.002","20.662","0.007","90","","98.305","0.005","90","","2456.7","1.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Co N4 O6 -","- C24 H34 Co N4 O6 -","- C96 H136 Co4 N16 O24 -","4","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Diverse 2D and 3D topologies in cobalt cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands","Inorganica Chimica Acta","2019","498","","119122","","10.1016/j.ica.2019.119122","","","0.71073","MoKα","","0.1771","0.0788","","","0.1542","0.2003","","","","","","0.959","","","","has coordinates","271442","2021-12-15","09:32:57",""
"1565774","7.5336","0.001","9.5125","0.0013","16.149","0.002","91.173","0.002","97.869","0.002","94.834","0.002","1141.7","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Co N4 O4 -","- C24 H28 Co N4 O4 -","- C48 H56 Co2 N8 O8 -","2","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Diverse 2D and 3D topologies in cobalt cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands","Inorganica Chimica Acta","2019","498","","119122","","10.1016/j.ica.2019.119122","","","0.71073","MoKα","","0.067","0.0467","","","0.105","0.1134","","","","","","1.05","","","","has coordinates","271442","2021-12-15","09:32:57",""
"1565775","11.1688","0.0004","21.4324","0.0007","11.7845","0.0004","90","","116.473","0.001","90","","2525.12","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Cl2 N6 P2 Ru S2 -","- C19 H32 Cl2 N6 P2 Ru S2 -","- C76 H128 Cl8 N24 P8 Ru4 S8 -","4","1","","Lanorio, Jocelyn P.; Frost, Brian J.","Insertion reactions of heteroallenes (CS2 and CO2) into the Ru-H bond of Cp′Ru(PTA)(PR3)H complexes (PTA = 1,3,5-triaza-7-phosphaadamantane)","Inorganica Chimica Acta","2019","498","","119138","","10.1016/j.ica.2019.119138","","","0.71073","MoKα","","0.0221","0.0213","","","0.0562","0.0566","","","","","","1.054","","","","has coordinates","271443","2021-12-15","09:50:11",""
"1565776","15.4366","0.0004","14.5548","0.0004","16.4821","0.0004","90","","106.67","","90","","3547.51","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 B N9 O2 P2 Ru -","- C35 H46 B N9 O2 P2 Ru -","- C140 H184 B4 N36 O8 P8 Ru4 -","4","1","","Lanorio, Jocelyn P.; Frost, Brian J.","Insertion reactions of heteroallenes (CS2 and CO2) into the Ru-H bond of Cp′Ru(PTA)(PR3)H complexes (PTA = 1,3,5-triaza-7-phosphaadamantane)","Inorganica Chimica Acta","2019","498","","119138","","10.1016/j.ica.2019.119138","","","0.71073","MoKα","","0.0334","0.031","","","0.0923","0.0946","","","","","","1.074","","","","has coordinates,has disorder","271443","2021-12-15","09:50:14",""
"1565777","17.8536","0.001","11.2831","0.0006","19.1754","0.001","90","","97.84","0.003","90","","3826.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 B N9 O P2 Ru S2 -","- C35 H42 B N9 O P2 Ru S2 -","- C140 H168 B4 N36 O4 P8 Ru4 S8 -","4","1","","Lanorio, Jocelyn P.; Frost, Brian J.","Insertion reactions of heteroallenes (CS2 and CO2) into the Ru-H bond of Cp′Ru(PTA)(PR3)H complexes (PTA = 1,3,5-triaza-7-phosphaadamantane)","Inorganica Chimica Acta","2019","498","","119138","","10.1016/j.ica.2019.119138","","","0.71073","MoKα","","0.1248","0.0696","","","0.1641","0.1955","","","","","","1.04","","","","has coordinates","271443","2021-12-15","09:50:16",""
"1565778","10.0646","0.001","10.5825","0.001","15.2015","0.0013","79.634","0.006","85.067","0.007","71.749","0.007","1511.8","0.3","299","2","299.47","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 N9 O2 P3 S2 -","- C26 H34 N9 O2 P3 S2 -","- C52 H68 N18 O4 P6 S4 -","2","1","","Yenilmez Çiftçi, Gönül; Tanrıverdi Eçik, Esra; Goler, Omer; Yuksel, Fatma; Duygulu, Ercan; Donbaloglu, Fadime; Turhal, Gulseren; Demiroglu-Zergeroglu, Asuman","Thiazole substituted dispiromonoansa and monospiro cyclotriphosphazenes: Design, synthesis and biological activity","Inorganica Chimica Acta","2019","498","","119158","","10.1016/j.ica.2019.119158","","","0.71073","MoKα","","0.0737","0.046","","","0.101","0.1147","","","","","","1.04","","","","has coordinates","271444","2021-12-15","09:55:58",""
"1565780","7.0876","0.0002","13.6906","0.0004","14.1247","0.0004","90","","101.261","0.002","90","","1344.18","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 Co N4 O6 -","- C26 H20 Cl2 Co N4 O6 -","- C52 H40 Cl4 Co2 N8 O12 -","2","0.5","","Nashre-ul-Islam, Swah Mohd.; Dutta, Debajit; Verma, Akalesh K.; Nath, Hiren; Frontera, Antonio; Sharma, Pranay; Bhattacharyya, Manjit K.","Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies","Inorganica Chimica Acta","2019","498","","119161","","10.1016/j.ica.2019.119161","","","0.71073","MoKα","","0.0376","0.0294","","","0.08","0.0842","","","","","","1.047","","","","has coordinates","271466","2021-12-16","08:24:29",""
"1565781","7.207","0.005","13.706","0.005","14.195","0.005","90","0.005","101.567","0.005","90","0.005","1373.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 Mn N4 O6 -","- C26 H20 Cl2 Mn N4 O6 -","- C52 H40 Cl4 Mn2 N8 O12 -","2","0.5","","Nashre-ul-Islam, Swah Mohd.; Dutta, Debajit; Verma, Akalesh K.; Nath, Hiren; Frontera, Antonio; Sharma, Pranay; Bhattacharyya, Manjit K.","Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies","Inorganica Chimica Acta","2019","498","","119161","","10.1016/j.ica.2019.119161","","","0.71073","MoKα","","0.0459","0.0356","","","0.0964","0.1034","","","","","","1.039","","","","has coordinates","271467","2021-12-16","08:24:42",""
"1565782","7.108","0.005","13.623","0.005","14.131","0.005","90","0.005","101.725","0.005","90","0.005","1339.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 N4 O6 Zn -","- C26 H20 Cl2 N4 O6 Zn -","- C52 H40 Cl4 N8 O12 Zn2 -","2","0.5","","Nashre-ul-Islam, Swah Mohd.; Dutta, Debajit; Verma, Akalesh K.; Nath, Hiren; Frontera, Antonio; Sharma, Pranay; Bhattacharyya, Manjit K.","Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies","Inorganica Chimica Acta","2019","498","","119161","","10.1016/j.ica.2019.119161","","","0.71073","MoKα","","0.035","0.029","","","0.0829","0.0862","","","","","","1.062","","","","has coordinates","271468","2021-12-16","08:24:57",""
"1565783","14.3323","0.0002","14.3931","0.0002","15.4532","0.0002","91.157","0.001","105.022","0.001","90.489","0.001","3077.9","0.07","121","1","121","1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 N4 O14 Pt S2 -","- C62 H62 N4 O14 Pt S2 -","- C124 H124 N8 O28 Pt2 S4 -","2","1","","Belveren, Samet; Poyraz, Samet; Pask, Christopher M.; Ülger, Mahmut; Sansano, José M.; Ali Döndaş, H.","Synthesis and biological evaluation of platinum complexes of highly functionalized aroylaminocarbo-N-thioyl prolinate containing tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione moieties","Inorganica Chimica Acta","2019","498","","119154","","10.1016/j.ica.2019.119154","","x-ray","0.71073","MoKα","","0.0509","0.0358","","","0.0668","0.0728","","","","","","1.039","","","","has coordinates,has disorder","271469","2021-12-16","08:28:31",""
"1565784","20.1956","0.0011","26.3701","0.0015","21.0982","0.0009","90","","102.927","0.002","90","","10951.3","1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H108 N4 O8 Ti2 -","- C133 H108 N4 O8 Ti2 -","- C532 H432 N16 O32 Ti8 -","4","2","","Macker, Emilie; Barloy, Laurent; Chaumont, Alain; Kyritsakas, Nathalie; Vincent, Bruno; Henry, Marc; Mobian, Pierre","Evaluation of the stereoselectivity for titanium(IV)-based coordination entities induced by the enantiopure diphenylethene-1,2-diamine ligand","Inorganica Chimica Acta","2019","498","","119119","","10.1016/j.ica.2019.119119","","","0.71073","MoKα","","0.2037","0.0957","","","0.2326","0.2683","","","","","","1.023","","","","has coordinates","271470","2021-12-16","09:42:40",""
"1565785","20.1564","0.001","26.3154","0.0012","21.0515","0.0009","90","","102.885","0.002","90","","10885","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H108 N4 O8 Ti2 -","- C133 H108 N4 O8 Ti2 -","- C532 H432 N16 O32 Ti8 -","4","2","","Macker, Emilie; Barloy, Laurent; Chaumont, Alain; Kyritsakas, Nathalie; Vincent, Bruno; Henry, Marc; Mobian, Pierre","Evaluation of the stereoselectivity for titanium(IV)-based coordination entities induced by the enantiopure diphenylethene-1,2-diamine ligand","Inorganica Chimica Acta","2019","498","","119119","","10.1016/j.ica.2019.119119","","","0.71073","MoKα","","0.2053","0.1021","","","0.2778","0.3446","","","","","","1.028","","","","has coordinates","271470","2021-12-16","09:42:41",""
"1565786","27.043","0.002","9.837","0.0012","21.777","0.002","90","","94.61","0.02","90","","5774.4","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H80 F12 O8 Ti2 -","- C58 H80 F12 O8 Ti2 -","- C232 H320 F48 O32 Ti8 -","4","0.5","","Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Kurmaev, Dmitry A.; Zubkevich, Sergei V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Mikhaylik, Elena S.; Golubev, Evgenii K.; Buzin, Mikhail I.; Nikiforova, Galina G.; Vasil'ev, Viktor G.; Zvukova, Tamara M.; Bulychev, Boris M.","Novel alkoxo-titanium(IV) complexes with fluorinated 2-hydroxymethylphenol derivatives as catalysts for the formation of ultra-high molecular weight polyethylene nascent reactor powders","Inorganica Chimica Acta","2019","498","","119159","","10.1016/j.ica.2019.119159","","","0.79373","synchrotron","","0.0434","0.0398","","","0.1079","0.111","","","","","","1.024","","","","has coordinates","271471","2021-12-16","09:49:38",""
"1565787","10.948","0.002","11.972","0.002","13.708","0.003","94.8","0.03","103.1","0.03","110.41","0.03","1613.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 F16 O8 Ti2 -","- C63 H76 F16 O8 Ti2 -","- C63 H76 F16 O8 Ti2 -","1","0.5","","Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Kurmaev, Dmitry A.; Zubkevich, Sergei V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Mikhaylik, Elena S.; Golubev, Evgenii K.; Buzin, Mikhail I.; Nikiforova, Galina G.; Vasil'ev, Viktor G.; Zvukova, Tamara M.; Bulychev, Boris M.","Novel alkoxo-titanium(IV) complexes with fluorinated 2-hydroxymethylphenol derivatives as catalysts for the formation of ultra-high molecular weight polyethylene nascent reactor powders","Inorganica Chimica Acta","2019","498","","119159","","10.1016/j.ica.2019.119159","","","0.80246","synchrotron","","0.0645","0.0618","","","0.1455","0.1472","","","","","","1.023","","","","has coordinates,has disorder","271472","2021-12-16","09:49:57",""
"1565788","10.165","0.0013","10.9701","0.0016","13.1932","0.0019","94.431","0.006","95.633","0.008","103.572","0.008","1415.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 F6 O8 Ti2 -","- C56 H78 F6 O8 Ti2 -","- C56 H78 F6 O8 Ti2 -","1","0.5","","Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Kurmaev, Dmitry A.; Zubkevich, Sergei V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Mikhaylik, Elena S.; Golubev, Evgenii K.; Buzin, Mikhail I.; Nikiforova, Galina G.; Vasil'ev, Viktor G.; Zvukova, Tamara M.; Bulychev, Boris M.","Novel alkoxo-titanium(IV) complexes with fluorinated 2-hydroxymethylphenol derivatives as catalysts for the formation of ultra-high molecular weight polyethylene nascent reactor powders","Inorganica Chimica Acta","2019","498","","119159","","10.1016/j.ica.2019.119159","","","0.79373","synchrotron","","0.0373","0.036","","","0.102","0.1034","","","","","","1.064","","","","has coordinates","271473","2021-12-16","09:50:06",""
"1565789","11.9986","0.0002","12.8222","0.0002","20.1046","0.0003","89.724","0.001","88.561","0.001","85.736","0.001","3083.51","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H75 Mn2 N8 O13.5 -","- C68 H74 Mn2 N8 O13.5 -","- C136 H148 Mn4 N16 O27 -","2","1","","Wang, Ao; Huang, Peng-Bin; Sun, Ping-Ping; Shi, Fa-Nian; Tian, Bo; Gao, Jun","Synthesis and crystal structure of a Mn-based coordination complex as precursor for the synthesis of Mn2O3","Inorganica Chimica Acta","2019","498","","119166","","10.1016/j.ica.2019.119166","","","0.71073","MoKα","","0.0671","0.056","","","0.1418","0.1493","","","","","","1.058","","","","has coordinates","271474","2021-12-16","09:54:59",""
"1565797","11.1083","0.0005","39.2626","0.0019","8.5567","0.0005","90","","90","","90","","3731.9","0.3","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C42 H39 Cu N2 O11 -","- C42 H37 Cu N2 O11 -","- C168 H148 Cu4 N8 O44 -","4","0.5","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.0456","0.0417","","","0.1065","0.1103","","","","","","1.151","","","","has coordinates,has disorder","271523","2021-12-20","10:09:47",""
"1565798","10.1498","0.0008","35.718","0.003","11.4657","0.0009","90","","107.994","0.002","90","","3953.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H69 Cu2 N4 O18 -","- C85 H69 Cu2 N4 O18 -","- C170 H138 Cu4 N8 O36 -","2","0.5","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.1199","0.066","","","0.159","0.1787","","","","","","1.054","","","","has coordinates,has disorder","271524","2021-12-20","10:10:01",""
"1565799","45.37","0.04","11.881","0.012","8.205","0.008","90","","94.623","0.015","90","","4408","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 N2 Ni O13 -","- C42 H38 N2 Ni O13 -","- C168 H152 N8 Ni4 O52 -","4","0.5","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.0959","0.0705","","","0.2195","0.2498","","","","","","1.045","","","","has coordinates","271525","2021-12-20","10:10:13",""
"1565800","8.3073","0.0008","11.9213","0.0006","42.89","0.002","90","","95.119","0.005","90","","4230.6","0.5","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H18 Ag N O5 -","- C21 H18 Ag N O5 -","- C168 H144 Ag8 N8 O40 -","8","1","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.0778","0.0638","","","0.2148","0.2402","","","","","","0.981","","","","has coordinates","271527","2021-12-20","10:10:34",""
"1565801","11.532","0.002","9.3559","0.0018","16.905","0.003","90","","90","","90","","1823.9","0.6","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","0.5","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.1419","0.0807","","","0.2202","0.2657","","","","","","1.027","","","","has coordinates","271528","2021-12-20","10:10:55",""
"1565802","17.71","0.007","17.718","0.006","7.419","0.003","90","","105.646","0.005","90","","2241.7","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 O2 Ru S4 -","- C24 H14 O2 Ru S4 -","- C96 H56 O8 Ru4 S16 -","4","0.5","","Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng","Ruthenium(II) complexes with α- or β-dithionaphthoato ligands","Inorganica Chimica Acta","2019","498","","119173","","10.1016/j.ica.2019.119173","","","0.71073","MoKα","","0.0519","0.0422","","","0.1085","0.1178","","","","","","0.987","","","","has coordinates","271529","2021-12-20","10:22:25",""
"1565803","9.05","0.01","19.19","0.02","14.836","0.018","90","","97.518","0.019","90","","2554","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Ru S4 -","- C30 H26 Ru S4 -","- C120 H104 Ru4 S16 -","4","1","","Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng","Ruthenium(II) complexes with α- or β-dithionaphthoato ligands","Inorganica Chimica Acta","2019","498","","119173","","10.1016/j.ica.2019.119173","","","0.71073","MoKα","","0.2465","0.0784","","","0.1628","0.2505","","","","","","0.88","","","","has coordinates","271530","2021-12-20","10:22:44",""
"1565804","10.914","0.007","9.506","0.006","19.312","0.012","90","","102.52","0.007","90","","1956","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl Ru S2 -","- C21 H21 Cl Ru S2 -","- C84 H84 Cl4 Ru4 S8 -","4","1","","Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng","Ruthenium(II) complexes with α- or β-dithionaphthoato ligands","Inorganica Chimica Acta","2019","498","","119173","","10.1016/j.ica.2019.119173","","","0.71073","MoKα","","0.1853","0.0699","","","0.1593","0.2171","","","","","","0.872","","","","has coordinates","271531","2021-12-20","10:22:55",""
"1565805","11.403","0.003","12.455","0.004","15.845","0.004","72.987","0.004","82.142","0.004","69.549","0.004","2014.8","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C H O P Ru S -","- C1.76471 P0.352941 Ru0.235294 S0.470588 -","- C30 P6 Ru4 S8 -","17","8.5","","Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng","Ruthenium(II) complexes with α- or β-dithionaphthoato ligands","Inorganica Chimica Acta","2019","498","","119173","","10.1016/j.ica.2019.119173","","","0.71073","MoKα","","0.4057","0.3443","","","0.6972","0.7273","","","","","","4.065","","","","has coordinates","271532","2021-12-20","10:23:07",""
"1565806","15.149","0.003","16.435","0.003","17.01","0.003","106.024","0.003","100.705","0.003","115.49","0.004","3440.5","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H23 Cl N4 O2.5 Ru S2 -","- C33.5 H23 Cl N4 O2.5 Ru S2 -","- C134 H92 Cl4 N16 O10 Ru4 S8 -","4","2","","Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng","Ruthenium(II) complexes with α- or β-dithionaphthoato ligands","Inorganica Chimica Acta","2019","498","","119173","","10.1016/j.ica.2019.119173","","","0.71073","MoKα","","0.0868","0.0571","","","0.1597","0.1831","","","","","","1.038","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1565807","16.203","0.004","14.195","0.004","11.802","0.003","90","","93.172","0.003","90","","2710.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Ru S4 -","- C30 H26 Ru S4 -","- C120 H104 Ru4 S16 -","4","1","","Li, Guo-Qiang; Chen, Chong; Ji, Jiao; Jia, Ai-Quan; Zhang, Qian-Feng","Ruthenium(II) complexes with α- or β-dithionaphthoato ligands","Inorganica Chimica Acta","2019","498","","119173","","10.1016/j.ica.2019.119173","","","0.71073","MoKα","","0.0572","0.0356","","","0.0944","0.1143","","","","","","0.819","","","","has coordinates","271534","2021-12-20","10:23:28",""
"1565808","11.1557","0.0005","11.3357","0.0006","18.0363","0.001","75.347","0.002","81.565","0.002","89.839","0.002","2181.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H50 Ir N3 O5 P2 -","- C43 H36 Ir N O3 P2 -","- C86 H72 Ir2 N2 O6 P4 -","2","1","","Bustos, Itxaso; Seco, Jose M.; Rodríguez-Diéguez, Antonio; Garralda, María A.; Mendicute-Fierro, Claudio","Acyl(furfurylamine)iridium(III) complexes from irida-β-diketones. Characterisation and catalytic activity in amine-borane hydrolysis","Inorganica Chimica Acta","2019","498","","119165","","10.1016/j.ica.2019.119165","","","0.71073","MoKα","","0.0221","0.019","","","0.0465","0.0478","","","","","","1.082","","","","has coordinates","271535","2021-12-20","10:35:26",""
"1565809","10.431","0.0012","10.583","0.0017","18.558","0.002","93.039","0.004","104.688","0.004","105.298","0.004","1895.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 Cl Ir N O4 P2 -","- C44 H39 Cl Ir N O4 P2 -","- C88 H78 Cl2 Ir2 N2 O8 P4 -","2","1","","Bustos, Itxaso; Seco, Jose M.; Rodríguez-Diéguez, Antonio; Garralda, María A.; Mendicute-Fierro, Claudio","Acyl(furfurylamine)iridium(III) complexes from irida-β-diketones. Characterisation and catalytic activity in amine-borane hydrolysis","Inorganica Chimica Acta","2019","498","","119165","","10.1016/j.ica.2019.119165","","","0.71069","MoKα","","0.0199","0.0171","","","0.0397","0.0407","","","","","","1.064","","","","has coordinates","271535","2021-12-20","10:35:27",""
"1565810","13.5694","0.0005","18.0658","0.0007","18.2342","0.0007","70.154","0.001","75.803","0.001","88.833","0.001","4066.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H37 Cl3 Ir N O2 P2 -","- C43 H35 Cl Ir N O2 P2 -","- C172 H140 Cl4 Ir4 N4 O8 P8 -","4","2","","Bustos, Itxaso; Seco, Jose M.; Rodríguez-Diéguez, Antonio; Garralda, María A.; Mendicute-Fierro, Claudio","Acyl(furfurylamine)iridium(III) complexes from irida-β-diketones. Characterisation and catalytic activity in amine-borane hydrolysis","Inorganica Chimica Acta","2019","498","","119165","","10.1016/j.ica.2019.119165","","","0.71069","MoKα","","0.0454","0.0312","","","0.0754","0.0793","","","","","","1.086","","","","has coordinates","271535","2021-12-20","10:35:27",""
"1565811","19.079","0.003","23.138","0.003","17.725","0.003","90","","104.692","0.003","90","","7569","2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C80 H128 Mo24 N20 O87 P2 Zn8 -","- C80 H128 Mo24 N20 O87 P2 Zn8 -","- C160 H256 Mo48 N40 O174 P4 Zn16 -","2","0.25","","Han, Ye-Min; Cheng, Wei-Wei; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Xu, Yan","Two isolated Zn-ε-Keggin decorated by pyridine-imidazole with excellent electrocatalytic and third-order NLO properties","Inorganica Chimica Acta","2019","498","","119169","","10.1016/j.ica.2019.119169","","","0.71073","MoKα","","0.0626","0.0469","","","0.1231","0.1321","","","","","","1.044","","","","has coordinates,has disorder","271536","2021-12-20","10:48:51",""
"1565812","27.179","0.016","29.115","0.014","19.281","0.008","90","","90","","90","","15257","13","296","2","296","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C32 H37 Mo12 N12 O43 P Zn4 -","- C32 H28 Mo12 N12 O43 P Zn4 -","- C256 H224 Mo96 N96 O344 P8 Zn32 -","8","1","","Han, Ye-Min; Cheng, Wei-Wei; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Xu, Yan","Two isolated Zn-ε-Keggin decorated by pyridine-imidazole with excellent electrocatalytic and third-order NLO properties","Inorganica Chimica Acta","2019","498","","119169","","10.1016/j.ica.2019.119169","","","0.71073","MoKα","","0.0805","0.0629","","","0.1562","0.1733","","","","","","1.077","","","","has coordinates","271537","2021-12-20","10:49:08",""
"1565918","12.1617","0.0003","22.7491","0.0006","21.3638","0.0007","90","","90.016","0.003","90","","5910.7","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O3 Sn -","- C29 H38 N2 O3 Sn -","- C232 H304 N16 O24 Sn8 -","8","4","","Debnath, Paresh; Das, Ankit; Singh, Keisham Surjit; Yama, Tage; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, structural characterization and antimicrobial activities of triorganotin(IV)azo-carboxylates derived from ortho/para-amino benzoic acids and β-naphthol","Inorganica Chimica Acta","2019","498","","119172","","10.1016/j.ica.2019.119172","","","0.71073","MoKα","","0.1608","0.0734","","","0.166","0.2095","","","","","","1.042","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1565919","12.9507","0.0003","20.3589","0.0005","7.0891","0.0002","90","","104.318","0.002","90","","1811.07","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N4 O6 Sn2 -","- C40 H40 N4 O6 Sn2 -","- C80 H80 N8 O12 Sn4 -","2","0.5","","Debnath, Paresh; Das, Ankit; Singh, Keisham Surjit; Yama, Tage; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, structural characterization and antimicrobial activities of triorganotin(IV)azo-carboxylates derived from ortho/para-amino benzoic acids and β-naphthol","Inorganica Chimica Acta","2019","498","","119172","","10.1016/j.ica.2019.119172","","x-ray","0.71073","MoKα","","0.0182","0.0171","","","0.0415","0.0419","","","","","","1.043","","","","has coordinates","271824","2022-01-06","08:15:13",""
"1565920","13.2778","0.0006","9.678","0.0004","30.1272","0.0013","90","","100.191","0.003","90","","3810.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O3 Sn -","- C20 H20 N2 O3 Sn -","- C160 H160 N16 O24 Sn8 -","8","1","","Debnath, Paresh; Das, Ankit; Singh, Keisham Surjit; Yama, Tage; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, structural characterization and antimicrobial activities of triorganotin(IV)azo-carboxylates derived from ortho/para-amino benzoic acids and β-naphthol","Inorganica Chimica Acta","2019","498","","119172","","10.1016/j.ica.2019.119172","","","0.71073","MoKα","","0.0922","0.0665","","","0.1547","0.1669","","","","","","1.198","","","","has coordinates","271824","2022-01-06","08:15:16",""
"1565921","15.168","0.003","5.0685","0.001","35.807","0.007","90","","90.235","0.01","90","","2752.8","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(2-hydroxynaphthylazo) benzoic acid","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","","Debnath, Paresh; Das, Ankit; Singh, Keisham Surjit; Yama, Tage; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, structural characterization and antimicrobial activities of triorganotin(IV)azo-carboxylates derived from ortho/para-amino benzoic acids and β-naphthol","Inorganica Chimica Acta","2019","498","","119172","","10.1016/j.ica.2019.119172","","","0.71073","MoKα","","0.1854","0.0493","","","0.0985","0.1453","","","","","","0.924","","","","has coordinates","271824","2022-01-06","08:15:16",""
"1566084","3.861598","","3.923924","","11.70814","","90","","90","","90","","177.409","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba1.663 Cu3 O6.784 Pr1.337 -","- Ba1.6628 Cu3 O6.784 Pr1.3372 -","- Ba1.6628 Cu3 O6.784 Pr1.3372 -","1","0.125","","Cordaro, Giulio; Flura, Aurelien; Donazzi, Alessandro; Pelosato, Renato; Mauvy, Fabrice; Cristiani, Cinzia; Dotelli, Giovanni; Grenier, Jean-Claude","Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs","ECS Transaction","2019","41","","1279","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","272184","2022-01-21","17:59:46",""
"1566085","3.866281","","3.925154","","11.709071","","90","","90","","90","","177.694","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba1.709 Cu3 O6.745 Pr1.291 -","- Ba1.70877 Cu3 O6.745 Pr1.29123 -","- Ba1.70877 Cu3 O6.745 Pr1.29123 -","1","0.125","","Cordaro, Giulio; Flura, Aurelien; Donazzi, Alessandro; Pelosato, Renato; Mauvy, Fabrice; Cristiani, Cinzia; Dotelli, Giovanni; Grenier, Jean-Claude","Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs","ECS Transaction","2019","41","","1279","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","272185","2022-01-21","17:59:58",""
"1566086","3.879217","","3.924227","","11.742106","","90","","90","","90","","178.749","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba1.796 Cu3 O6.71 Pr1.204 -","- Ba1.796 Cu3 O6.71 Pr1.204 -","- Ba1.796 Cu3 O6.71 Pr1.204 -","1","0.125","","Cordaro, Giulio; Flura, Aurelien; Donazzi, Alessandro; Pelosato, Renato; Mauvy, Fabrice; Cristiani, Cinzia; Dotelli, Giovanni; Grenier, Jean-Claude","Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs","ECS Transaction","2019","41","","1279","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","272186","2022-01-21","18:00:05",""
"1566087","3.9046","0.0004","3.9046","0.0004","11.66447","0.00008","90","","90","","90","","177.84","0.03","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Cu3 O7.89 Pr -","- Ba2 Cu3 O7.89 Pr -","- Ba2 Cu3 O7.89 Pr -","1","0.0625","","Cordaro, Giulio; Flura, Aurelien; Donazzi, Alessandro; Pelosato, Renato; Mauvy, Fabrice; Cristiani, Cinzia; Dotelli, Giovanni; Grenier, Jean-Claude","Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs","ECS Transaction","2019","41","","1279","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","272187","2022-01-21","18:07:28",""
"1566088","3.906076","","3.906076","","11.666979","","90","","90","","90","","178.008","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Cu3 O7.871 Pr -","- Ba2 Cu3 O7.87 Pr -","- Ba2 Cu3 O7.87 Pr -","1","0.0625","","Cordaro, Giulio; Flura, Aurelien; Donazzi, Alessandro; Pelosato, Renato; Mauvy, Fabrice; Cristiani, Cinzia; Dotelli, Giovanni; Grenier, Jean-Claude","Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs","ECS Transaction","2019","41","","1279","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","272188","2022-01-21","18:09:41",""
"1566089","3.902195","","3.902195","","11.750499","","90","","90","","90","","178.926","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Cu3 O7.577 Pr -","- Ba2 Cu3 O7.578 Pr -","- Ba2 Cu3 O7.578 Pr -","1","0.0625","","Cordaro, Giulio; Flura, Aurelien; Donazzi, Alessandro; Pelosato, Renato; Mauvy, Fabrice; Cristiani, Cinzia; Dotelli, Giovanni; Grenier, Jean-Claude","Synthesis and Characterization of Praseodymium Cuprates Compounds as Innovative and Efficient Oxygen Electrode for IT-SOFCs","ECS Transaction","2019","41","","1279","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","272189","2022-01-21","18:10:18",""
"1566106","17.2991","0.0009","17.2991","0.0009","17.2991","0.0009","117.373","0.002","117.373","0.002","117.373","0.002","2143.3","0.5","100","2","100","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C8 H12 I3 N Sn -","- C8 H12 I3 N Sn -","- C48 H72 I18 N6 Sn6 -","6","1","","Kamminga, Machteld E.; Gélvez-Rueda, María C.; Maheshwari, Sudeep; van Droffelaar, Irene S.; Baas, Jacob; Blake, Graeme R.; Grozema, Ferdinand C.; Palstra, Thomas T.M.","Electronic mobility and crystal structures of 2,5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds","Journal of Solid State Chemistry","2019","270","","593","600","10.1016/j.jssc.2018.12.029","","","0.71073","MoKα","","0.0683","0.0494","","","0.1128","0.1347","","","","","","1.2","","","","has coordinates","272208","2022-01-24","08:27:49",""
"1566107","9.3195","0.0008","6.6052","0.0006","11.0657","0.0009","90","","114.095","0.003","90","","621.82","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I3 N -","- C8 H12 I3 N -","- C16 H24 I6 N2 -","2","0.5","","Kamminga, Machteld E.; Gélvez-Rueda, María C.; Maheshwari, Sudeep; van Droffelaar, Irene S.; Baas, Jacob; Blake, Graeme R.; Grozema, Ferdinand C.; Palstra, Thomas T.M.","Electronic mobility and crystal structures of 2,5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds","Journal of Solid State Chemistry","2019","270","","593","600","10.1016/j.jssc.2018.12.029","","","0.71073","MoKα","","0.0205","0.0197","","","0.0512","0.0518","","","","","","1.195","","","","has coordinates","272208","2022-01-24","08:27:54",""
"1566108","8.431","0.003","12.696","0.004","21.701","0.007","85.465","0.007","84.808","0.006","82.95","0.007","2290.4","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 O8 Zn -","- C22 H14 N4 O8 Zn -","- C88 H56 N16 O32 Zn4 -","4","2","","Tella, Adedibu C.; Obaleye, Joshua A.; Olawale, Margaret D.; Vianney Ngororabanga, Jean Marie; Ogunlaja, Adeniyi S.; Bourne, Susan A.","Synthesis, crystal structure, and density functional theory study of a zinc(II) complex containing terpyridine and pyridine-2,6-dicarboxylic acid ligands: Analysis of the interactions with amoxicillin","Comptes Rendus Chimie","2019","22","1","3","12","10.1016/j.crci.2018.11.007","","","0.71073","MoKα","","0.1011","0.0554","","","0.1292","0.1527","","","","","","1.034","","","","has coordinates","272209","2022-01-24","08:35:26",""
"1566236","5.581","0.003","9.572","0.001","14.425","0.004","97.43","0.01","100.05","0.02","89.96","0.01","752.2","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- H10 Mo2 O17 S2 -","- Mo2 O17 S2 -","- Mo4 O34 S4 -","2","1","","Jiri Sejkora; Ian E. Grey; Anthony R. Kampf; Jakub Plasil; Pavel Skacha","Bouskaite, a new molybdenyl-hydrogensulfate mineral, (MoO2)2O(SO3OH)2(H2O)2 . 2H2O, from the Lill mine, Pribram ore area, Czech Republic","Journal of GeoSciences","2019","64","","197","205","10.3190/jgeosci.287","","x-ray","0.7107","synchrotron","","0.1728","0.0931","","","0.0963","0.1104","","","","2.29","2.29","1.82","","","","has coordinates","272392","2022-02-01","10:22:48",""
"1566237","9.6392","0.0002","9.6392","0.0002","6.456","0.0015","90","","90","","120","","519.49","0.12","294","17","284","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- As3 Mn S6 Tl -","- As3 Mn S6 Tl -","- As6 Mn2 S12 Tl2 -","2","0.333333","","Anatoly V. Kasatkin; E Makovicky; Jakub Plasil; Radek Skoda; Nikita V. Chukanov; Sergey Y. Stepanov; Atali A. Agakhanov; Fabrizio Nestola","Gladkovskyite, MnTlAs3S6, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia","Journal of GeoSciences","2019","64","","207","218","10.3190/jgeosci.290","","x-ray","0.71073","MoKα","","0.0183","0.0178","","","0.0412","0.0414","","","","1.32","1.32","1.32","","","","has coordinates","272393","2022-02-01","10:28:05",""
"1566238","8.292","0.002","8.251","0.003","10.188","0.003","90","","110.84","0.03","90","","651.4","0.4","296.7","0.2","296.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O14 U2 V2 -","- K2 O14 U2 V2 -","- K4 O28 U4 V4 -","2","0.5","","Jakub Plasil; Anthony R. Kampf; Radek Skoda; Jiri Cejka","Vandermeerscheite, a new uranyl vanadate related to carnotite, from Eifel, Germany","Journal of GeoSciences","2019","64","","219","227","10.3190/jgeosci.288","","x-ray","0.71073","MoKα","","0.1889","0.0834","","","0.1782","0.2387","","","","1.35","1.35","1.21","","","","has coordinates","272394","2022-02-01","10:32:51",""
"1566250","18.495","0.001","9.475","0.0004","9.986","0.0005","90","","96.79","0.004","90","","1737.67","0.15","282","15","282","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- As4 Ca3 H10 Mg0.697 Mn1.303 O20 -","- As4 Ca3 Mg0.7 Mn1.3 O20 -","- As16 Ca12 Mg2.8 Mn5.2 O80 -","4","0.5","","Nicolas Meisser; Jakub Plasil; Thierry Brunsperger; Cedric Lheur; Radek Skoda","Giftgrubeite, CaMn2Ca2(AsO4)2(AsO3OH)2 . 4H2O, a new member of the hureaulite group from Sainte-Marie-aux-Mines, Haut-Rhin Department, Vosges, France","Journal of GeoSciences","2019","64","","73","80","10.3190/jgeosci.276","","x-ray","0.71073","MoKα","","0.2163","0.0699","","","0.1634","0.261","","","","1.22","1.22","0.99","","","","has coordinates","272413","2022-02-02","09:09:35",""
"1568387","10.58518","0.00006","10.58518","0.00006","10.58518","0.00006","90","","90","","90","","1186.03","0.012","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 Ge6 S32 V2 -","- Cu26.001 Ge6.00024 S32.0012 V2 -","- Cu26.001 Ge6.00024 S32.0012 V2 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59191","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.8492","","","","","","","","has coordinates","280890","2023-02-14","15:28:30",""
"1568388","10.55237","0.00006","10.55237","0.00006","10.55237","0.00006","90","","90","","90","","1175.03","0.012","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cr2 Cu26 Ge6 S32 -","- Cr2 Cu26.001 Ge6.00024 S32.0012 -","- Cr2 Cu26.001 Ge6.00024 S32.0012 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59414","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.5215","","","","","","","","has coordinates","280891","2023-02-14","15:29:16",""
"1568389","10.59748","0.00007","10.59748","0.00007","10.59748","0.00007","90","","90","","90","","1190.17","0.014","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 Ge6 Mo2 S32 -","- Cu26.001 Ge6.00024 Mo2 S32.0012 -","- Cu26.001 Ge6.00024 Mo2 S32.0012 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59408","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.2837","","","","","","","","has coordinates","280892","2023-02-14","15:29:50",""
"1568390","10.6098","0.0001","10.6098","0.0001","10.6098","0.0001","90","","90","","90","","1194.32","0.019","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 Ge6 S32 W2 -","- Cu26.001 Ge6.00024 S32.0012 W2 -","- Cu26.001 Ge6.00024 S32.0012 W2 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59395","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.7848","","","","","","","","has coordinates","280893","2023-02-14","15:30:24",""
"2021404","9.1561","0.0003","12.766","0.0005","15.1022","0.0005","83.03","0.003","75.313","0.003","83.972","0.003","1689.87","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","Piroxicam‒succinic acid‒acetonitrile (4/1/2)","4-Hydroxy-2-methyl-N-(pyridin-2-yl)-2H-1,2-benzothiazine-3-\ carboxamide 1,1-dioxide‒succinic acid‒acetonitrile (4/1/2)","","- C68 H64 N14 O20 S4 -","- C68 H64 N14 O20 S4 -","- C68 H64 N14 O20 S4 -","1","0.5","KU3231","Liu, Xiaojiao; Michalchuk, Adam A. L.; Pulham, Colin R.; Boldyreva, Elena V.","An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules","Acta Crystallographica Section C","2019","75","1","29","37","10.1107/S2053229618016911","","x-ray","0.71073","MoKα","","0.0618","0.0427","","","0.105","0.1107","","","","","","1.055","","","","has coordinates,has Fobs","213458","2020-10-21","18:00:00",""
"2021405","7.6779","0.0009","8.4177","0.0009","14.3934","0.001","79.528","0.008","74.65","0.008","72.82","0.01","851.61","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N6 O12 S2 -","- C34 H32 N6 O12 S2 -","- C34 H32 N6 O12 S2 -","1","0.5","","Liu, Xiaojiao; Michalchuk, Adam A. L.; Pulham, Colin R.; Boldyreva, Elena V.","An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules","Acta Crystallographica Section C","2019","75","1","29","37","10.1107/S2053229618016911","","x-ray","1.54184","CuKα","","0.0618","0.0548","","","0.1437","0.1538","","","","","","1.023","","","","has coordinates","213458","2020-10-21","18:00:00",""
"2021406","19.0698","0.0003","24.1017","0.0005","31.0577","0.0004","90","","90","","90","","14274.6","0.4","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","beta-cyclodextrin‒chlorogenic acid","β-Cyclodextrin‒chlorogenic acid‒water (2/2/17)","","- C116 H192.8 O105 -","- C116 H192.8 O105 -","- C464 H771.2 O420 -","4","0.5","UK3164","Aree, Thammarat","Inclusion complex of β-cyclodextrin with coffee chlorogenic acid: new insights from a combined crystallographic and theoretical study","Acta Crystallographica Section C","2019","75","1","15","21","10.1107/S2053229618016741","","","0.71073","MoKα","","0.1279","0.0693","","","0.1615","0.1956","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","213461","2020-10-21","18:00:00",""
"2021407","11.099","0.009","12.917","0.011","26.55","0.02","90","","90","","90","","3806","5","293","2","293","2","","","","","","","","5","P c a a","-P 2ac 2c","54","","Poly[[diaqua[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ-5,5'-methylenebis(3-carboxy-2,4,6-trimethylbenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^]zinc(II)] hemihydrate]","","- C42 H39 N4 O10.5 Zn -","- C42 H39.5 N4 O10.25 Zn -","- C168 H158 N16 O41 Zn4 -","4","0.5","SK3713","Chen, Zhen; Sun, Yanwen; Liu, Zi-an; Wang, Ning; Yang, Xue; You, Xiaomeng; Wang, Xiaozhong","A three-dimensional Zn^II^ coordination network based on 5,5'-methylenebis(2,4,6-trimethylisophthalic acid) and 2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties","Acta Crystallographica Section C","2019","75","1","8","14","10.1107/S2053229618016285","","","0.71073","MoKα","","0.0766","0.0461","","","0.1206","0.1386","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","213462","2020-10-21","18:00:00",""
"2021408","16.357","0.013","3.712","0.003","22.723","0.019","90","","101.72","0.03","90","","1350.9","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Aminoimidazo[1,2-<i>a</i>][1,3,5]triazin-4(3<i>H</i>)-one monohydrate","","- C5 H7 N5 O2 -","- C5 H7 N5 O2 -","- C40 H56 N40 O16 -","8","1","YF3153","Laos, Roberto; Lampropoulos, Christos; Benner, Steven A.","The surprising pairing of 2-aminoimidazo[1,2-<i>a</i>][1,3,5]triazin-4-one, a component of an expanded DNA alphabet","Acta Crystallographica Section C","2019","75","1","22","28","10.1107/S2053229618016923","","","0.71073","MoKα","","0.0824","0.0595","","","0.1548","0.1663","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","213463","2020-10-21","18:00:00",""
"2021409","5.6126","0.0003","10.0683","0.0004","27.2349","0.0012","90","","90.095","0.002","90","","1539.02","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C76 H64 N16 O4 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.0617","0.0479","","","0.1216","0.1298","","","","","","1.021","","","","has coordinates,has Fobs","213465","2020-10-21","18:00:00",""
"2021410","9.4452","0.0019","9.5489","0.0019","21.039","0.004","90","","95.26","0.03","90","","1889.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium chloride dihydrate","","- C19 H21 Cl N4 O3 -","- C19 H21 Cl N4 O3 -","- C76 H84 Cl4 N16 O12 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.0508","0.0406","","","0.1074","0.113","","","","","","1.035","","","","has coordinates,has Fobs","213465","2020-10-21","18:00:00",""
"2021411","9.5556","0.0004","9.305","0.0004","22.2715","0.001","90","","96.048","0.002","90","","1969.25","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium nitrate dihydrate","","- C19 H21 N5 O6 -","- C19 H21 N5 O6 -","- C76 H84 N20 O24 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.1052","0.0575","","","0.1213","0.1395","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","213465","2020-10-21","18:00:00",""
"2021412","13.0053","0.0004","7.7965","0.0002","20.8703","0.0007","90","","107.887","0.001","90","","2013.87","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[Phenyl({[(phenylcarbamoyl)amino]imino})methyl]pyridinium thiocyanate 2.5-hydrate","","- C20 H22 N5 O3.5 S -","- C20 H22 N5 O3.5 S -","- C80 H88 N20 O14 S4 -","4","1","SK3714","Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise","Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions","Acta Crystallographica Section C","2019","75","1","1","7","10.1107/S2053229618016467","","","0.71073","MoKα","","0.0743","0.0493","","","0.1179","0.1309","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","213465","2020-10-21","18:00:00",""
"2021414","8.2311","0.0001","13.322","0.0002","22.7038","0.0003","90","","95.864","0.002","90","","2476.55","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-Dithiodibenzoic acid‒benzoic acid (1/2)","","- C28 H22 O8 S2 -","- C28 H22 O8 S2 -","- C112 H88 O32 S8 -","4","0.5","HB7790","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","1","","10.1107/S2056989018017097","","x-ray","1.54184","CuKα","","0.0401","0.0392","","","0.1082","0.1091","","","","","","1.082","","","","has coordinates,has Fobs","212550","2020-10-21","18:00:00",""
"2021415","12.3448","0.0014","9.9435","0.0013","16.9904","0.0019","90","","90","","90","","2085.6","0.4","100","2","99.98","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Propylenediaminium ethylenedinitramine","Propane-1,3-diaminium (ethane-1,2-diyl)bis(nitroazanide)","","- C5 H16 N6 O4 -","- C5 H16 N6 O4 -","- C40 H128 N48 O32 -","8","1","WQ3142","Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine","Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties","Acta Crystallographica Section C","2019","75","1","54","60","10.1107/S2053229618017588","","","0.71073","MoKα","","0.0737","0.0461","","","0.1022","0.1147","","","","","","1.016","","","","has coordinates,has Fobs","213460","2020-10-21","18:00:00",""
"2021416","5.408","0.003","7.203","0.004","14.288","0.008","90","","98.03","0.03","90","","551.1","0.5","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Putrescine ethylenedinitramine","Butane-1,4-diaminium (ethane-1,2-diyl)bis(nitroazanide)","","- C6 H18 N6 O4 -","- C6 H18 N6 O4 -","- C12 H36 N12 O8 -","2","0.5","WQ3142","Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine","Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties","Acta Crystallographica Section C","2019","75","1","54","60","10.1107/S2053229618017588","","","0.71073","MoKα","","0.0332","0.0308","","","0.0842","0.0861","","","","","","1.068","","","","has coordinates,has Fobs","213460","2020-10-21","18:00:00",""
"2021417","9.8247","0.0002","15.2829","0.0004","15.9914","0.0004","109.498","0.002","103.761","0.002","106.11","0.002","2024.57","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')europium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')europium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Eu N9 O19 -","- C40 H28 Eu N9 O19 -","- C80 H56 Eu2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0266","0.0232","","","0.0552","0.0565","","","","","","1.058","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021418","9.8335","0.0006","15.3314","0.0009","16.0227","0.0013","109.641","0.006","103.642","0.006","106.064","0.005","2036.8","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')gadolinium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Gd N9 O19 -","- C40 H28 Gd N9 O19 -","- C80 H56 Gd2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0482","0.041","","","0.0831","0.0852","","","","","","0.901","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021419","9.8244","0.0005","15.2522","0.0007","15.9247","0.0007","109.461","0.004","103.6","0.004","106.05","0.004","2016.2","0.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Dy N9 O19 -","- C40 H28 Dy N9 O19 -","- C80 H56 Dy2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0553","0.0411","","","0.0863","0.0909","","","","","","1.015","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021420","9.8242","0.0002","15.2333","0.0003","15.8956","0.0004","109.532","0.002","103.449","0.002","106.019","0.002","2011.59","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-bis{μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'}-[tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-μ-<i>N</i>,<i>N</i>'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ^2^<i>O</i>:<i>O</i>'] methanol disolvate]","","- C40 H28 Er N9 O19 -","- C40 H28 Er N9 O19 -","- C80 H56 Er2 N18 O38 -","2","1","QF3018","Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin","Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization","Acta Crystallographica Section C","2019","75","1","38","45","10.1107/S2053229618017357","","","0.71073","MoKα","","0.0251","0.0226","","","0.0546","0.0556","","","","","","1.022","","","","has coordinates,has Fobs","213464","2020-10-21","18:00:00",""
"2021421","14.9367","0.0007","15.791","0.0007","33.5896","0.0001","90","","100.123","0.002","90","","7799.3","0.5","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3,5-dihydroxybenzoate hemihydrate","","- C19 H20 Cl N4 O4.5 -","- C19 H20 Cl N4 O4.5 -","- C304 H320 Cl16 N64 O72 -","16","2","YP3171","Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood","Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters","Acta Crystallographica Section C","2019","75","1","46","53","10.1107/S2053229618017060","","","0.71073","MoKα","","0.0434","0.0434","","","0.0959","0.1101","","","","","","0.935","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021422","14.9367","0.0007","15.791","0.0007","33.5896","0.0001","90","","100.123","0.002","90","","7799.3","0.5","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3,5-dihydroxybenzoate hemihydrate","","- C19 H20 Cl N4 O4.5 -","- C19 H20 Cl N4 O4.5 -","- C304 H320 Cl16 N64 O72 -","16","2","","Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood","Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters","Acta Crystallographica Section C","2019","75","1","46","53","10.1107/S2053229618017060","","","0.71073","MoKα","","0.0524","0.0524","","","0.116","0.1283","","","","","","1.075","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021423","14.9367","0.0007","15.791","0.0007","33.5896","0.0016","90","","100.123","0.002","90","","7799.3","0.6","297","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3,5-dihydroxybenzoate hemihydrate","","- C19 H20 Cl N4 O4.5 -","- C19 H20 Cl N4 O4.5 -","- C304 H320 Cl16 N64 O72 -","16","2","","Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood","Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters","Acta Crystallographica Section C","2019","75","1","46","53","10.1107/S2053229618017060","","","0.71073","MoKα","","0.0979","0.0511","","","0.1174","0.1405","","","","","","1.013","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021424","18.3264","0.0003","13.6459","0.0002","19.301","0.0004","90","","101.803","0.001","90","","4724.74","0.14","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloridocyanidohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,3λ^5^,5λ^4^,7-tetraphospha-κ^2^<i>P</i>^1^,<i>P</i>^7^-hept-3-en-4-yl)iridium(III) acetonitrile monosolvate","","- C54 H48 Cl Ir N2 P4 -","- C54 H48 Cl Ir N2 P4 -","- C216 H192 Cl4 Ir4 N8 P16 -","4","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0671","0.0399","","","0.0643","0.069","","","","","","1.028","","","","has coordinates,has Fobs","212654","2020-10-21","18:00:00",""
"2021425","28.1283","0.0003","19.0989","0.0002","23.6339","0.0002","90","","90","","90","","12696.6","0.2","233","2","233","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[7-(4-Chlorophenyl)-1,1,3,3-tetraphenyl-5,6,7-triaza-κ<i>N</i>^7^-1,3λ^4^-diphospha-κ<i>P</i>^1^-hepta-4,6-dien-4-yl][methylenebis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']iridium(I) chloride‒dichloromethane‒toluene (2/3/1)","","- C62 H55 Cl5 Ir N3 P4 -","- C62 H55 Cl5 Ir N3 P4 -","- C496 H440 Cl40 Ir8 N24 P32 -","8","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.0561","0.0423","","","0.1169","0.1264","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","212654","2020-10-21","18:00:00",""
"2021426","11.1683","0.0001","12.7805","0.0002","20.0591","0.0003","98.475","0.001","93.122","0.001","109.336","0.001","2655.76","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","{4-[3-(4-Chlorophenyl)triazenido-κ<i>N</i>^3^]-1,1,3,3-tetraphenyl-1,3λ^5^-diphospha-κ<i>P</i>^1^-but-2-en-4-yl}cyanido[methylenebis(diphenylphosphine)-κ^2^<i>P</i>,<i>P</i>']iridium(III) methanol disolvate","","- C60 H56 Cl Ir N4 O2 P4 -","- C60 H56 Cl Ir N4 O2 P4 -","- C120 H112 Cl2 Ir2 N8 O4 P8 -","2","1","SU5464","Partl, Gabriel Julian; Nussbaumer, Felix; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of two PCN pincer iridium complexes and one PCP pincer carbodiphosphorane iridium intermediate: substitution of one phosphine moiety of a carbodiphosphorane by an organic azide","Acta Crystallographica Section E Crystallographic Communications","2019","75","1","75","","10.1107/S2056989018017644","","","0.71073","MoKα","","0.025","0.0228","","","0.0546","0.0556","","","","","","1.054","","","","has coordinates,has Fobs","212654","2020-10-21","18:00:00",""
"2021427","9.0917","0.0003","9.0917","0.0003","68.392","0.003","90","","90","","90","","5653.2","0.4","125","2","125","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]-6-methylphenol dimethyl sulfoxide disolvate","","- C30 H36 N2 O3 S2 -","- C30 H36 N2 O3 S2 -","- C240 H288 N16 O24 S16 -","8","1","FN3286","Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes","Acta Crystallographica Section C","2019","75","1","65","69","10.1107/S2053229618017758","","","1.54178","CuKα","","0.0255","0.0254","","","0.0662","0.0663","","","","","","1.09","","","","has coordinates,has Fobs","213459","2020-10-21","18:00:00",""
"2021428","8.9836","0.0009","10.9082","0.0011","15.782","0.0016","72.406","0.002","83.232","0.002","83.086","0.002","1458.1","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","2-[Bis(3-methyl-1<i>H</i>-indol-2-yl)methyl]-4,6-dichlorophenol dimethyl sulfoxide disolvate","","- C29 H32 Cl2 N2 O3 S2 -","- C29 H32 Cl2 N2 O3 S2 -","- C58 H64 Cl4 N4 O6 S4 -","2","1","FN3286","Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes","Acta Crystallographica Section C","2019","75","1","65","69","10.1107/S2053229618017758","","","0.71073","MoKα","","0.0995","0.0486","","","0.1016","0.12","","","","","","1.015","","","","has coordinates,has Fobs","213459","2020-10-21","18:00:00",""
"2021429","8.8185","0.0004","17.4773","0.0007","7.9793","0.0004","90","","108.328","0.005","90","","1167.41","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-6,7-dihydro-5<i>H</i>-2,3-dioxa-2aλ^4^-selenacyclopenta[<i>hi</i>]\ indene","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","1","","Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures","Acta Crystallographica Section C","2019","75","1","","","10.1107/S2053229618014833","","","0.71073","MoKα","","0.0964","0.0498","","","0.0971","0.1176","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","212759","2020-10-21","18:00:00",""
"2021430","7.1083","0.0002","13.8408","0.0003","12.5601","0.0004","90","","92.663","0.002","90","","1234.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-5,6-dihydro-4<i>H</i>-benzo[<i>c</i>][1,2]oxaselenole-7-carbaldehyde","","- C14 H12 O Se2 -","- C14 H12 O Se2 -","- C56 H48 O4 Se8 -","4","1","","Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures","Acta Crystallographica Section C","2019","75","1","","","10.1107/S2053229618014833","","","0.71073","MoKα","","0.0607","0.0552","","","0.1404","0.1469","","","","","","1.066","","","","has coordinates,has Fobs","212759","2020-10-21","18:00:00",""
"2021431","16.0344","0.0003","5.4375","0.0001","17.8512","0.0003","90","","100.731","0.002","90","","1529.18","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","KY3155","Rossi, Patrizia; Paoli, Paola; Chelazzi, Laura; Conti, Luca; Bencini, Andrea","The solid-state structure of the β-blocker metoprolol: a combined experimental and in silico investigation","Acta Crystallographica Section C Structural Chemistry","2019","75","2","","","10.1107/S2053229618017084","","","1.54184","CuKα","","0.0767","0.0499","","","0.0992","0.1207","","","","","","1.037","","","","has coordinates,has Fobs","213095","2020-10-21","18:00:00",""
"2021432","8.128","0.0002","8.2147","0.0001","32.9809","0.0006","90","","90.252","0.002","90","","2202.08","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-((<i>E</i>)-{(<i>E</i>)-[1-(Biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1-methyl-1<i>H</i>-indole acetonitrile monosolvate","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","OV3117","Tan, Xue-Jie; Zhang, Ling-Yao; Sun, Yuan-Kai; Zhou, Xue-Min","Synthesis, structure and antiproliferative and optical activities of two new biphenyl-derived Schiff bases","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618017989","","","0.71073","MoKα","","0.0607","0.0525","","","0.1403","0.1505","","","","","","1.024","","","","has coordinates,has Fobs","213096","2020-10-21","18:00:00",""
"2021433","19.173","0.001","20.756","0.001","21.771","0.002","90","","110.718","0.002","90","","8103.6","0.9","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,8,14,20-Tetrahexyl-4,24:6,10:12,16:18,22-<i>O</i>,<i>O</i>'-tetrakis[2,3-dihydro-[1,4]dioxino[2,3-<i>g</i>]quinoxalin-7,8-diyl]resorcin[4]arene benzene monosolvate","","- C98 H94 N8 O16 -","- C98 H94 N8 O16 -","- C392 H376 N32 O64 -","4","0.5","HB7791","Pinalli, Roberta; Trzciński, Jakub W.; Dalcanale, Enrico; Massera, Chiara","A new, deep quinoxaline-based cavitand receptor for the complexation of benzene","Acta Crystallographica Section E Crystallographic Communications","2019","75","2","103","","10.1107/S2056989018017784","","","0.71073","MoKα","","0.069","0.0463","","","0.1075","0.1191","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","213111","2020-10-21","18:00:00",""
"2021435","8.8247","0.0003","26.4201","0.0007","8.7393","0.0004","90","","103.07","0.004","90","","1984.78","0.13","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Promethazine hydrochloride succinic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride succinic acid monosolvate","","- C38 H48 Cl2 N4 O4 S2 -","- C38 H48 Cl2 N4 O4 S2 -","- C76 H96 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0782","0.0721","","","0.2084","0.214","","","","","","1.079","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2021436","8.7741","0.0003","25.8762","0.0007","8.6007","0.0003","90","","102.92","0.003","90","","1903.27","0.11","103","2","103.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Promethazine Hydrochloride fumaric acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride fumaric acid monosolvate","","- C38 H46 Cl2 N4 O4 S2 -","- C38 H46 Cl2 N4 O4 S2 -","- C76 H92 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0527","0.0401","","","0.0991","0.1074","","","","","","1.075","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021437","8.8988","0.0002","27.7992","0.0005","8.7933","0.0002","90","","103.484","0.002","90","","2115.32","0.08","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Promethazine Hydrochloride adipic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride adipic acid monosolvate","","- C40 H52 Cl2 N4 O4 S2 -","- C40 H52 Cl2 N4 O4 S2 -","- C80 H104 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0468","0.039","","","0.101","0.107","","","","","","1.062","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021438","10.5507","0.0002","12.4382","0.0002","14.2966","0.0003","90","","100.445","0.002","90","","1845.08","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Promethazine hydrochloride oxalic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium chloride oxalic acid hemisolvate","","- C36 H44 Cl2 N4 O4 S2 -","- C36 H44 Cl2 N4 O4 S2 -","- C72 H88 Cl4 N8 O8 S4 -","2","0.5","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0419","0.0374","","","0.1007","0.1057","","","","","","1.045","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021439","8.684","0.0005","11.3871","0.0005","20.0923","0.0011","104.106","0.004","90.386","0.004","108.34","0.005","1821.53","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Promethazine oxalic acid","<i>N</i>,<i>N</i>-Dimethyl-1-(10<i>H</i>-phenothiazin-10-yl)propan-2-aminium hydrogen oxalate","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","2","QP3016","Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila","Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride","Acta Crystallographica Section C","2019","75","2","107","119","10.1107/S2053229618017904","","","1.54184","CuKα","","0.0709","0.0566","","","0.1708","0.1854","","","","","","1.227","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021440","5.5235","0.0002","9.4385","0.0004","10.4633","0.0005","70.769","0.004","75.984","0.004","89.624","0.003","498.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>o</i>-Anisidinium dihydroarsenate","2-Methoxyanilinium dihydrogen arsenate","","- C7 H12 As N O5 -","- C7 H12 As N O5 -","- C14 H24 As2 N2 O10 -","2","1","KU3230","Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor","Crystallographic and computational studies of a new organoarsenate compound: <i>o</i>-anisidinium dihydroarsenate","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000172","","","1.54184","CuKα","","0.0348","0.0346","","","0.0829","0.083","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","213221","2020-10-21","18:00:00",""
"2021441","6.9452","0.0002","7.8334","0.0001","9.9918","0.0002","98.677","0.002","97.359","0.001","111.725","0.001","489.093","0.019","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","Poly[[(3-aminopyrazin-4-ium-2-carboxylate-κ^2^<i>N</i>^1^,<i>O</i>)di-μ-chlorido-cadmium(II)] monohydrate]","","- C5 H7 Cd Cl2 N3 O3 -","- C5 H7 Cd Cl2 N3 O3 -","- C10 H14 Cd2 Cl4 N6 O6 -","2","1","FP3058","Bouchene, Rafika; Bouacida, Sofiane","Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018132","","x-ray","0.71073","MoKα","","0.0248","0.022","","","0.0458","0.0473","","","","","","1.043","","","","has coordinates,has Fobs","213222","2020-10-21","18:00:00",""
"2021442","7.2637","0.0002","17.7011","0.0005","24.3144","0.0005","90","","90","","90","","3126.24","0.14","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","Poly[2-amino-3-carboxypyrazin-1-ium [(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)di-μ-chlorido-cadmium(II)] monohydrate]","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C80 H96 Cd8 Cl16 N48 O40 -","8","1","FP3058","Bouchene, Rafika; Bouacida, Sofiane","Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018132","","x-ray","0.71073","MoKα","","0.0342","0.0285","","","0.0781","0.082","","","","","","0.919","","","","has coordinates,has Fobs","213222","2020-10-21","18:00:00",""
"2021443","10.3236","0.0004","10.3236","0.0004","3.12244","0.00015","90","","90","","120","","288.2","0.02","293","","293","","","","","","","","","4","P -6 2 m","P -6 -2","189","Hexacobalt(II) bicarbonate octahydroxide monohydrate","Hexacobalt(II) bis(carbonate) octahydroxide monohydrate","","- C2 H10 Co6 O15 -","- C2 Co6 O15 -","- C2 Co6 O15 -","1","0.0833333","SK3716","Prateek Bhojane; Armel Le Bail; Parasharam M. Shirage","A quarter of a century after its synthesis and with >200 papers based on its use, `Co(CO~3~)~0.5~(OH)\χdot0.11H~2~O' proves to be Co~6~(CO~3~)~2~(OH)~8~\χdotH~2~O from synchrotron powder diffraction data","Acta Crystallographica, Section C","2019","75","1","61","64","10.1107/S2053229618017734","powder diffraction","","0.8077","synchrotron","","","","","","","","","","1.9579","","","","","","","has coordinates,has Fobs","213232","2020-10-21","18:00:00",""
"2021444","12.829","0.005","15.854","0.006","20.769","0.006","90","","122.215","0.018","90","","3574","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]cadmium(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate methanol monosolvate]","","- C27 H21 Cd N5 O9 -","- C27 H21 Cd N5 O9 -","- C108 H84 Cd4 N20 O36 -","4","1","SK3712","Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su","Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018211","","","0.71073","MoKα","","0.0694","0.0556","","","0.1273","0.136","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","213285","2020-10-21","18:00:00",""
"2021445","8.342","0.004","13.903","0.006","23.568","0.01","86.84","0.006","89.264","0.006","78.826","0.006","2677","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')[μ~3~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]bis[μ~3~-3-nitro-4-(pyridin-4-yl)benzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>':<i>N</i>]dicadmium(II)] <i>N</i>,<i>N</i>-dimethylacetamide disolvate monohydrate]","","- C38 H24 Cd2 N6 O14 -","- C38 H24 Cd2 N6 O14 -","- C76 H48 Cd4 N12 O28 -","2","1","SK3712","Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su","Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018211","","","0.71073","MoKα","","0.114","0.0682","","","0.1531","0.1682","","","","","","0.924","","","","has coordinates,has Fobs","213285","2020-10-21","18:00:00",""
"2021446","11.866","0.007","12.259","0.007","14.248","0.014","98.341","0.009","93.604","0.009","117.018","0.006","1807","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquanickel(II)]-bis[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>N</i>]] <i>N</i>,<i>N</i>-dimethylacetamide disolvate]","","- C32 H36 N6 Ni O12 -","- C32 H36 N6 Ni O12 -","- C64 H72 N12 Ni2 O24 -","2","1","SK3712","Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su","Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018211","","","0.71073","MoKα","","0.0592","0.0465","","","0.1286","0.1358","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","213285","2020-10-21","18:00:00",""
"2021447","7.7926","0.0005","8.2969","0.0005","9.7964","0.0009","73.953","0.002","76.973","0.002","71.184","0.001","569.67","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[aqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)(μ~2~-4,4'-bipyridine)dizinc(II)]","","- C26 H18 N2 O10 Zn2 -","- C26 H18 N2 O10 Zn2 -","- C26 H18 N2 O10 Zn2 -","1","0.5","SK3720","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Han, Chun; Wang, Zhi-Jun","Synthesis, structure and selective luminescence sensing for iron(III) ions of a three-dimensional zinc(II) (4,6)-connected coordination network","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000767","","","0.71073","MoKα","","0.0604","0.0373","","","0.07","0.0759","","","","","","1.037","","","","has coordinates,has Fobs","213286","2020-10-21","18:00:00",""
"2021448","9.1926","0.0002","10.6101","0.0002","14.8057","0.0003","94.188","0.001","97.716","0.001","114.409","0.001","1289.8","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)zinc(II)","","- C28 H26 Cl2 N2 O4 Zn -","- C28 H26 Cl2 N2 O4 Zn -","- C56 H52 Cl4 N4 O8 Zn2 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.0552","0.0353","","","0.0771","0.084","","","","","","1.016","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021449","9.2709","0.0019","10.02","0.002","16.248","0.004","98.56","0.04","100.5","0.04","110.09","0.03","1356.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)zinc(II)","","- C28 H26 I2 N2 O4 Zn -","- C28 H26 I2 N2 O4 Zn -","- C56 H52 I4 N4 O8 Zn2 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.1274","0.0667","","","0.159","0.1947","","","","","","0.99","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021450","9.2772","0.0003","10.0935","0.0003","16.1021","0.0005","97.699","0.002","100.586","0.002","111.149","0.002","1348.92","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dibromidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)cadmium(II)","","- C28 H26 Br2 Cd N2 O4 -","- C28 H26 Br2 Cd N2 O4 -","- C56 H52 Br4 Cd2 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.058","0.0404","","","0.1133","0.1262","","","","","","1.028","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021451","9.32","0.0003","10.0498","0.0003","16.6239","0.0005","99.14","0.001","100.528","0.001","109.332","0.001","1403.58","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]\ methyl}phenolato-κ<i>O</i>)cadmium(II)","","- C28 H26 Cd I2 N2 O4 -","- C28 H26 Cd I2 N2 O4 -","- C56 H52 Cd2 I4 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.0511","0.0329","","","0.0613","0.0669","","","","","","1.029","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021452","9.2456","0.0004","10.151","0.0004","15.8499","0.0006","96.5447","0.0015","99.7441","0.0015","112.674","0.0014","1326.25","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)mercury(II)","","- C28 H26 Cl2 Hg N2 O4 -","- C28 H26 Cl2 Hg N2 O4 -","- C56 H52 Cl4 Hg2 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.0261","0.0218","","","0.0505","0.052","","","","","","1.034","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021453","9.2783","0.0014","10.006","0.0015","16.695","0.003","98.777","0.001","100.296","0.001","109.396","0.001","1400.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diiodidobis(2-{(<i>E</i>)-[(2-methoxyphenyl)azaniumylidene]methyl}phenolato-κ<i>O</i>)mercury(II)","","- C28 H26 Hg I2 N2 O4 -","- C28 H26 Hg I2 N2 O4 -","- C56 H52 Hg2 I4 N4 O8 -","2","1","SK3704","Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.","The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds","Acta Crystallographica Section C","2019","75","2","178","188","10.1107/S2053229618018314","","x-ray","0.71073","MoKα","","0.039","0.0322","","","0.0978","0.1124","","","","","","1.08","","","","has coordinates,has Fobs","213935","2020-10-21","18:00:00",""
"2021454","8.858","0.006","9.328","0.005","10.526","0.006","96.039","0.018","112.651","0.019","108.99","0.03","732","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>RS</i>,4<i>SR</i>)-7-chloro-4-(2-chloroacetoxy)-2,3,4,5-tetrahydro-1<i>H</i>-benzo[<i>b</i>]azepine-2-carboxylate","","- C14 H15 Cl2 N O4 -","- C14 H15 Cl2 N O4 -","- C28 H30 Cl4 N2 O8 -","2","1","FN3291","Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000871","","","0.71073","MoKα","","0.0304","0.0279","","","0.0703","0.0718","","","","","","1.072","","","","has coordinates,has Fobs","213349","2020-10-21","18:00:00",""
"2021455","9.198","0.006","10.586","0.007","15.223","0.011","90","","105.56","0.02","90","","1427.9","1.7","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(4a<i>RS</i>,6<i>SR</i>)-9-chloro-6-hydroxy-3-(2-hydroxyethyl)-2,3,4a,5,6,7-hexahydrobenzo[<i>f</i>]pyrazino[1,2-<i>a</i>]azepine-1,4-dione","","- C15 H17 Cl N2 O4 -","- C15 H17 Cl N2 O4 -","- C60 H68 Cl4 N8 O16 -","4","1","FN3291","Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000871","","","0.71073","MoKα","","0.0348","0.031","","","0.0751","0.0773","","","","","","1.071","","","","has coordinates,has Fobs","213349","2020-10-21","18:00:00",""
"2021456","5.595","0.004","8.377","0.005","12.712","0.008","98.1","0.03","100.1","0.02","101.76","0.03","564.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4a<i>RS</i>,6<i>SR</i>)-9-Chloro-6-hydroxy-4a,5,6,7-tetrahydrobenzo[<i>f</i>][1,2,4]triazino[4,5-<i>a</i>]azepin-4(3<i>H</i>)-one","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C24 H24 Cl2 N6 O4 -","2","1","FN3291","Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619000871","","","0.71073","MoKα","","0.0493","0.0425","","","0.1108","0.1158","","","","","","1.06","","","","has coordinates,has Fobs","213349","2020-10-21","18:00:00",""
"2021457","12.568","0.006","13.324","0.007","14.207","0.007","90","","110.912","0.005","90","","2222.3","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ-5-nitrobenzene-1,3-dicarboxylato)zinc(II)]","","- C22 H17 N5 O6 Zn -","- C22 H17 N5 O6 Zn -","- C88 H68 N20 O24 Zn4 -","4","1","QS3078","Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun; Tao, Jian-Qing","A new two-dimensional Zn^II^ coordination polymer based on 1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene and 5-nitrobenzene-1,3-dicarboxylic acid: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2019","75","2","196","199","10.1107/S2053229619000986","","","0.71073","MoKα","","0.0292","0.0265","","","0.0736","0.0751","","","","","","1.066","","","","has coordinates,has Fobs","213936","2020-10-21","18:00:00",""
"2021458","6.6076","0.0002","7.6668","0.0002","16.5297","0.0005","94.565","0.002","93.48","0.002","94.758","0.002","829.94","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-<i>tert</i>-Butylbenzoic acid‒isoniazid","4-<i>tert</i>-Butylbenzoic acid‒pyridine-4-carbohydrazide (1/1)","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C34 H42 N6 O6 -","2","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0531","0.0417","","","0.1154","0.1246","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","213386","2020-10-21","18:00:00",""
"2021459","14.2337","0.0006","13.7116","0.0005","20.3233","0.0008","90","","99.298","0.002","90","","3914.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(propan-2-ylidene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(propan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C160 H200 N24 O24 -","8","2","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0647","0.0479","","","0.1207","0.1365","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","213386","2020-10-21","18:00:00",""
"2021460","14.7663","0.0004","13.7022","0.0004","20.4647","0.0006","90","","99.279","0.002","90","","4086.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(butan-2-ylidene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒N'-(butan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C168 H216 N24 O24 -","8","2","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0802","0.0596","","","0.1734","0.1964","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","213386","2020-10-21","18:00:00",""
"2021461","7.6967","0.0001","10.1984","0.0002","15.9931","0.0003","90","","93.505","0.001","90","","1253.01","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(diphenylmethylene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(diphenylmethylene)pyridine-4-carbohydrazide (1/1)","","- C30 H29 N3 O3 -","- C30 H29 N3 O3 -","- C60 H58 N6 O6 -","2","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.038","0.0345","","","0.0884","0.0914","","","","","","1.035","","","","has coordinates,has Fobs","213386","2020-10-21","18:00:00",""
"2021462","20.3803","0.0008","6.9598","0.0003","17.2533","0.0007","90","","107.838","0.001","90","","2329.61","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(4-hydroxy-4-methylpentan-2-ylidene)isonicotinohydrazide","4-<i>tert</i>-Butylbenzoic acid‒<i>N</i>'-(4-hydroxy-4-methylpentan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C23 H31 N3 O4 -","- C23 H31 N3 O4 -","- C92 H124 N12 O16 -","4","1","FA3397","Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas","Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms","Acta Crystallographica Section C","2019","75","2","","","10.1107/S205322961900055X","","x-ray","0.71073","MoKα","","0.0568","0.0466","","","0.1232","0.1313","","","","","","1.039","","","","has coordinates,has Fobs","213386","2020-10-21","18:00:00",""
"2021463","9.6571","0.0002","13.0874","0.0003","16.4113","0.0004","90","","90","","90","","2074.16","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-1-{(4-Methylphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol","","- C26 H25 N O -","- C26 H25 N O -","- C104 H100 N4 O4 -","4","1","YF3158","Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo","Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619001050","","","0.71073","MoKα","","0.0597","0.0429","","","0.1056","0.1151","","","","","","1.024","","","","has coordinates,has Fobs","213387","2020-10-21","18:00:00",""
"2021464","11.74","0.003","11.933","0.003","14.662","0.004","90","","90","","90","","2054","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-1-{(4-Methoxyphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","YF3158","Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo","Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619001050","","","0.71073","MoKα","","0.0949","0.052","","","0.0907","0.1044","","","","","","1.005","","","","has coordinates,has Fobs","213387","2020-10-21","18:00:00",""
"2021465","10.3262","0.0006","10.3262","0.0006","10.3262","0.0006","90","","90","","90","","1101.09","0.11","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Potassium terbium tantalum tris(phosphate)","","- K2 O12 P3 Ta0.5 Tb1.5 -","- K2 O12 P3 Ta0.5 Tb1.5 -","- K8 O48 P12 Ta2 Tb6 -","4","0.333333","KY3157","Xue, Ya-Li; Zhao, Dan; Zhang, Shi-Rui; Li, Ya-Nan; Fan, Yan-Ping","A new disordered langbeinite-type compound, K~2~Tb~1.5~Ta~0.5~P~3~O~12~, and Eu^3+^-doped multicolour light-emitting properties","Acta Crystallographica Section C","2019","75","2","213","220","10.1107/S2053229619000998","","","0.71073","MoKα","","0.0237","0.0228","","","0.0427","0.0429","","","","","","1.125","","","","has coordinates,has Fobs","213401","2020-10-21","18:00:00",""
"2021466","9.3716","0.0014","11.7529","0.0018","11.2357","0.0016","90","","90.187","0.009","90","","1237.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N O4 -","- C4 H9 N O4 -","- C32 H72 N8 O32 -","8","2","UK3169","Kats, Eynav; Bernstein, Joel; Lemmerer, Andreas","A new polymorph of ammonium succinate ‒ serendipity in action","Acta Crystallographica Section C","2019","75","2","208","212","10.1107/S2053229619001037","","","0.71073","MoKα","","0.0908","0.0497","","","0.1308","0.1585","","","","","","0.978","","","","has coordinates,has Fobs","213402","2020-10-21","18:00:00",""
"2021467","9.3992","0.0008","17.6714","0.0015","11.2971","0.0009","90","","94.318","0.001","90","","1871.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)gadolinium(III)] <i>N</i>,<i>N</i>-dimethylacetamide monosolvate]","","- C32 H43 Gd2 N3 O17 -","- C28 H34 Gd2 N2 O16 -","- C56 H68 Gd4 N4 O32 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.1147","0.0755","","","0.1796","0.1964","","","","","","1.065","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021468","9.3529","0.0009","17.6217","0.0015","11.3758","0.0011","90","","94.494","0.001","90","","1869.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)didysprosium(III)] <i>N</i>,<i>N</i>-dimethylacetamide monosolvate]","","- C32 H43 Dy2 N3 O17 -","- C28 H34 Dy2 N2 O16 -","- C56 H68 Dy4 N4 O32 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.0641","0.0531","","","0.1454","0.1539","","","","","","1.088","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021469","9.5383","0.0008","17.966","0.0015","11.3703","0.0009","90","","94.402","0.001","90","","1942.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)dineodymium(III)]","","- C28 H34 N2 Nd2 O16 -","- C28 H34 N2 Nd2 O16 -","- C56 H68 N4 Nd4 O32 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.0818","0.054","","","0.1279","0.1385","","","","","","1.01","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021470","9.4469","0.0009","17.8037","0.0018","11.3621","0.0012","90","","94.319","0.001","90","","1905.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ-acetato)diaqua(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylacetamide)disamarium(III)]","","- C28 H34 N2 O16 Sm2 -","- C28 H34 N2 O16 Sm2 -","- C56 H68 N4 O32 Sm4 -","2","0.5","LF3085","Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan","A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents","Acta Crystallographica Section C","2019","75","2","221","230","10.1107/S2053229618016972","","","0.71073","MoKα","","0.0969","0.0666","","","0.1567","0.17","","","","","","1.031","","","","has coordinates,has Fobs","213441","2020-10-21","18:00:00",""
"2021471","11.3449","0.0002","7.3527","0.0001","11.8641","0.0003","90","","113.623","0.003","90","","906.72","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [<i>R</i>-(+)-α-methylbenzylamido]phosphate","","- C20 H20 N O3 P -","- C20 H20 N O3 P -","- C40 H40 N2 O6 P2 -","2","1","","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan","Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures","Acta Crystallographica Section C","2019","75","1","77","84","10.1107/S205322961801673X","","","0.71073","MoKα","","0.0244","0.0235","","","0.0605","0.0612","","","","","","1.068","","","","has coordinates,has Fobs","213452","2020-10-21","18:00:00",""
"2021472","11.3482","0.0003","7.3589","0.0001","11.8714","0.0003","90","","113.686","0.003","90","","907.87","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(<i>S</i>)-(‒)-α-methylbenzylamido]phosphate","","- C20 H20 N O3 P -","- C20 H20 N O3 P -","- C40 H40 N2 O6 P2 -","2","1","","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan","Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures","Acta Crystallographica Section C","2019","75","1","77","84","10.1107/S205322961801673X","","","0.71073","MoKα","","0.0258","0.0252","","","0.068","0.0686","","","","","","1.055","","","","has coordinates,has Fobs","213452","2020-10-21","18:00:00",""
"2021473","8.33","0.002","11.557","0.003","12.426","0.003","84.484","0.017","86.07","0.011","86.04","0.011","1185.6","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichlorido(2-ethoxy-6-{(<i>E</i>)-[(2-oxidophenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(η^5^-pentamethylcyclopentadienyl)tantalum(V)","","- C25 H28 Cl2 N O3 Ta -","- C25 H28 Cl2 N O3 Ta -","- C50 H56 Cl4 N2 O6 Ta2 -","2","1","JX3031","Trávníček, Zdeněk; Štarha, Pavel; Čajan, Michal; Dvořák, Zdeněk","A half-sandwich TaV dichlorido complex containing an O,N,O′-tridentate Schiff base ligand: synthesis, crystal structure and in vitro cytotoxicity","Acta Crystallographica Section C Structural Chemistry","2019","75","3","","","10.1107/S2053229619001323","","","0.71073","MoKα","","0.0197","0.0171","","","0.041","0.0419","","","","","","1.167","","","","has coordinates,has Fobs","213604","2020-10-21","18:00:00",""
"2021474","6.6562","0.0003","8.3692","0.0004","12.5687","0.0007","90","","90","","90","","700.17","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ammonium 4-nitro-1<i>H</i>-imidazole-3-carboxylate","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0352","0.033","","","0.0839","0.0851","","","","","","1.11","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021475","5.0863","0.0006","8.811","0.0009","12.7192","0.0014","83.977","0.004","88.281","0.003","82.743","0.003","562.25","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-nitro-1<i>H</i>-imidazol-1-ide-5-carboxylato)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis[aqua(dimethylformamide-κ<i>O</i>)copper(II)]","","- C14 H20 Cu2 N8 O12 -","- C14 H20 Cu2 N8 O12 -","- C14 H20 Cu2 N8 O12 -","1","0.5","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0413","0.0306","","","0.0685","0.072","","","","","","1.06","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021476","8.9689","0.0011","6.4035","0.0008","16.4509","0.0019","90","","102.93","0.002","90","","920.86","0.19","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-nitro-1<i>H</i>-imidazol-1-ide-5-carboxylato)-κ^2^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis[triaquacobalt(II)] dihydrate","","- C8 H18 Co2 N6 O16 -","- C8 H18 Co2 N6 O16 -","- C16 H36 Co4 N12 O32 -","2","0.5","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0193","0.0181","","","0.0481","0.0486","","","","","","1.065","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021477","16.7332","0.0008","8.2012","0.0003","28.0902","0.0013","90","","90","","90","","3854.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3c","Dibenzyl [hydroxy(4-methylphenyl)methyl]phosphonate","","- C22 H23 O4 P -","- C22 H23 O4 P -","- C176 H184 O32 P8 -","8","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0938","0.0556","","","0.1275","0.1501","","","","","","1.021","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021478","10.4239","0.0008","7.8757","0.0005","12.0461","0.0007","90","","103.775","0.007","90","","960.49","0.11","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","3b","Dibenzyl [(3-chlorophenyl)(hydroxy)methyl]phosphonate","","- C21 H20 Cl O4 P -","- C21 H20 Cl O4 P -","- C42 H40 Cl2 O8 P2 -","2","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0571","0.0472","","","0.1066","0.1143","","","","","","1.046","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021479","10.0795","0.0003","13.853","0.0006","15.9354","0.0005","111.11","0.004","90.852","0.003","106.326","0.003","1975.23","0.14","133","2","133","2","","","","","","","","5","P -1","-P 1","2","3a","Dibenzyl [hydroxy(2-nitrophenyl)methyl]phosphonate","","- C21 H20 N O6 P -","- C21 H20 N O6 P -","- C84 H80 N4 O24 P4 -","4","2","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0744","0.0461","","","0.1066","0.1243","","","","","","1.028","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021480","8.18","0.0004","8.4006","0.0006","9.9661","0.0004","102.173","0.005","94.897","0.004","107.504","0.005","630.26","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2b","Dimethyl [1-hydroxy-1-(4-nitrophenyl)ethyl]phosphonate","","- C10 H14 N O6 P -","- C10 H14 N O6 P -","- C20 H28 N2 O12 P2 -","2","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0562","0.0412","","","0.1026","0.1138","","","","","","1.03","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021481","8.478","0.0003","17.237","0.0006","8.1357","0.0003","90","","106.484","0.004","90","","1140.05","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (1-hydroxy-1-phenylethyl)phosphonate","","- C10 H15 O4 P -","- C10 H15 O4 P -","- C40 H60 O16 P4 -","4","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0359","0.0314","","","0.0855","0.0891","","","","","","1.037","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021482","39.464","0.003","8.5132","0.0004","8.0044","0.0003","90","","100.62","0.005","90","","2643.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1b","Dimethyl [1-(3,4-dimethoxyphenyl)-1-hydroxyethyl]phosphonate","","- C11 H17 O6 P -","- C11 H17 O6 P -","- C88 H136 O48 P8 -","8","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0772","0.0474","","","0.1078","0.1262","","","","","","1.032","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021483","8.4039","0.0005","7.7007","0.0003","16.6012","0.0007","90","","99.149","0.004","90","","1060.69","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl (1-hydroxy-1-phenylethyl)phosphonate","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0544","0.0379","","","0.0967","0.1078","","","","","","1.024","","","","has coordinates","213617","2020-10-21","18:00:00",""
"2021484","15.0494","0.0003","14.2369","0.0003","7.9898","0.0002","90","","99.025","0.002","90","","1690.68","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(2,4-Dimethylphenyl)-2,2,2-trifluoro-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide","","- C18 H17 F3 N2 O2 -","- C18 H17 F3 N2 O2 -","- C72 H68 F12 N8 O8 -","4","1","YF3163","Clarkson, Guy J.; Farrán, M. Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Elguero, José","The structure of the anti-aging agent J147 used for treating Alzheimer's disease","Acta Crystallographica Section C","2019","75","3","","","10.1107/S205322961900144X","","x-ray","1.54184","CuKα","","0.0439","0.0351","","","0.0932","0.0957","","","","","","0.992","","","","has coordinates,has Fobs","213618","2020-10-21","18:00:00",""
"2021485","11.3475","0.0002","14.2479","0.0003","16.4138","0.0004","92.51","0.001","99.529","0.001","108.699","0.001","2465.63","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(imidazole)(5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride chloroform disolvate","","- C52 H38 Cl7 Mn N8 -","- C52 H38 Cl7 Mn N8 -","- C104 H76 Cl14 Mn2 N16 -","2","1","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0448","0.0432","","","0.1095","0.1108","","","","","","1.03","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021486","10.5211","0.0001","11.9123","0.0001","12.6355","0.0001","66.1342","0.0005","78.3107","0.0005","89.5778","0.0006","1413.24","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(piperidine)(5,10,15,20-tetraphenylporphyrinato)manganese(III) dichloride","","- C54 H50 Cl Mn N6 -","- C54 H50 Cl2 Mn N6 -","- C54 H50 Cl2 Mn N6 -","1","0.5","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0451","0.0449","","","0.1145","0.1147","","","","","","1.042","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021487","11.0499","0.0001","12.1051","0.0001","18.5362","0.0002","90.177","0.001","90.324","0.001","110.537","0.001","2321.76","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(pyridine)(5,10,15,20-tetraphenylporphryinato)manganese(III) pyridine disolvate","","- C59 H43 Cl Mn N7 -","- C59 H43 Cl Mn N7 -","- C118 H86 Cl2 Mn2 N14 -","2","1","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0292","0.0283","","","0.0768","0.0773","","","","","","1.076","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021488","11.4402","0.0002","13.4019","0.0003","18.6407","0.0004","95.774","0.001","92.199","0.001","113.63","0.001","2595.35","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(1,4-Diazabicyclo[2.2.2]octane)(5,10,15,20-tetraphenylporphyrin)manganese(III) chloride‒1,4-diazabicyclo[2.2.2]octane‒toluene‒water (4/4/4/1)","","- C63 H60 Cl Mn N8 O0.25 -","- C63 H60 Cl Mn N8 O0.25 -","- C126 H120 Cl2 Mn2 N16 O0.5 -","2","1","JX3027","Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.","Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001232","","","1.54178","CuKα","","0.0834","0.0641","","","0.1668","0.1795","","","","","","1.068","","","","has coordinates,has Fobs","213637","2020-10-21","18:00:00",""
"2021489","4.9272","0.0005","8.6072","0.0009","12.1525","0.0013","108.617","0.01","97.37","0.009","92.763","0.009","482.19","0.09","293","","293.15","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0793","0.0456","","","0.0934","0.1047","","","","","","1.033","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021490","4.9195","0.0005","8.5997","0.0007","12.0667","0.001","108.576","0.008","97.152","0.008","92.576","0.008","478.19","0.08","250","","250","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0795","0.0438","","","0.0812","0.0912","","","","","","1.012","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021491","4.9101","0.0005","8.5883","0.0007","11.9978","0.0009","108.535","0.008","96.969","0.008","92.427","0.008","474.39","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0665","0.0395","","","0.0785","0.0867","","","","","","1.019","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021492","4.9001","0.0005","8.5768","0.0006","11.9523","0.0009","108.503","0.007","96.781","0.007","92.316","0.007","471.4","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0644","0.0397","","","0.0746","0.0817","","","","","","1.007","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021493","4.8948","0.0005","8.5707","0.0007","11.9179","0.0009","108.459","0.007","96.649","0.008","92.235","0.007","469.54","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0632","0.039","","","0.0769","0.0833","","","","","","1.038","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021494","4.901","0.0004","8.5623","0.0007","11.9502","0.0011","108.338","0.008","96.669","0.008","92.426","0.007","471.13","0.07","125","","125","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0938","0.0516","","","0.1241","0.1403","","","","","","1.025","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021495","4.9089","0.0005","8.5742","0.0007","11.9896","0.001","108.411","0.008","96.813","0.008","92.501","0.007","473.67","0.08","175","","175","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0826","0.0466","","","0.0922","0.1028","","","","","","1.012","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021496","4.9142","0.0005","8.5934","0.0007","12.0281","0.001","108.563","0.008","97.059","0.008","92.493","0.007","476.02","0.08","225","","225","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.067","0.0382","","","0.0777","0.0861","","","","","","1.007","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021497","4.9248","0.0005","8.6012","0.0007","12.1074","0.001","108.584","0.008","97.257","0.008","92.666","0.008","480.17","0.08","275","","275","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0825","0.0463","","","0.0869","0.0982","","","","","","1.022","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021498","4.9271","0.0005","8.6022","0.0008","12.1449","0.0011","108.606","0.008","97.351","0.009","92.714","0.008","481.7","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0808","0.0432","","","0.0868","0.0993","","","","","","1.026","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021499","4.8902","0.0003","9.443","0.0004","21.7426","0.0011","90","","103.096","0.005","90","","977.92","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.076","0.0431","","","0.078","0.086","","","","","","1.011","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021500","4.8745","0.0003","9.4321","0.0004","21.7086","0.0011","90","","102.948","0.005","90","","972.71","0.09","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0694","0.0421","","","0.0764","0.0834","","","","","","1.021","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021501","4.8594","0.0003","9.4225","0.0004","21.7038","0.001","90","","103.092","0.005","90","","967.94","0.09","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0639","0.0392","","","0.0725","0.0792","","","","","","1.034","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021502","4.8426","0.0004","9.4084","0.0005","21.6903","0.0013","90","","103.248","0.007","90","","961.93","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0683","0.0436","","","0.0915","0.1017","","","","","","1.043","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021503","4.8333","0.0003","9.4082","0.0004","21.6923","0.0015","90","","103.401","0.007","90","","959.55","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0789","0.0528","","","0.1284","0.1429","","","","","","1.035","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021504","4.8491","0.0008","9.4313","0.0006","21.7481","0.001","90","","103.272","0.009","90","","968.05","0.18","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0741","0.0483","","","0.1184","0.1308","","","","","","1.026","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021505","4.8531","0.0003","9.4182","0.0004","21.7022","0.0012","90","","103.155","0.006","90","","965.92","0.09","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0636","0.0391","","","0.0774","0.0853","","","","","","1.013","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021506","4.8784","0.0005","9.4546","0.0004","21.7693","0.0006","90","","103.002","0.005","90","","978.33","0.11","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0655","0.0381","","","0.0728","0.0805","","","","","","1.002","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021507","4.8828","0.0003","9.4372","0.0004","21.7258","0.0011","90","","103.007","0.006","90","","975.44","0.09","275","","275","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0741","0.0422","","","0.0725","0.0808","","","","","","1.017","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021508","4.8873","0.0003","9.4416","0.0004","21.7392","0.0011","90","","103.063","0.006","90","","977.17","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-Alanine‒<i>DL</i>-tartaric acid (1/1)","β-Alaninium <i>DL</i>-tartarate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C28 H52 N4 O32 -","4","1","KU3233","Losev, Evgeniy A.; Boldyreva, Elena","Concomitant cocrystal and salt: no interconversion in the solid state","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001372","","x-ray","0.71073","MoKα","","0.0773","0.0402","","","0.0724","0.0822","","","","","","1.017","","","","has coordinates,has Fobs","213640","2020-10-21","18:00:00",""
"2021509","7.056","0.002","10.226","0.005","13.451","0.005","87.21","0.02","86.978","0.013","76.42","0.02","941.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Aqua[2-(3,4-dichlorophenyl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lithium(I)","","- C20 H15 Cl2 Li N2 O3 -","- C20 H15 Cl2 Li N2 O3 -","- C40 H30 Cl4 Li2 N4 O6 -","2","1","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0546","0.0441","","","0.118","0.1284","","","","","","1.028","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021510","6.9518","0.001","10.8369","0.0016","13.5077","0.0017","82.823","0.006","83.7","0.006","71.92","0.007","957.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-aqua-bis{[2-(3,4-dichlorophenyl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)}","","- C40 H30 Cl4 N4 Na2 O6 -","- C40 H30 Cl4 N4 Na2 O6 -","- C40 H30 Cl4 N4 Na2 O6 -","1","0.5","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0598","0.0422","","","0.1048","0.1234","","","","","","1.026","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021511","8.3889","0.0004","11.9459","0.0006","29.163","0.0015","90","","90","","90","","2922.5","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ^2^<i>O</i>:<i>O</i>'] 2-(3,4-dichlorophenyl)acetate monohydrate]","","- C28 H24 Cl4 Mg N2 O7 -","- C28 H24 Cl4 Mg N2 O7 -","- C112 H96 Cl16 Mg4 N8 O28 -","4","1","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0519","0.0425","","","0.0913","0.0954","","","","","","1.112","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021512","21.467","0.005","7.675","0.002","12.837","0.003","90","","125.362","0.007","90","","1724.8","0.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAP12082016","Benzene-1,2-diaminium bis(pyridine-2-carboxylate)","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKa","","0.0649","0.0466","","","0.1226","0.1377","","","","","","1.042","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021513","21.451","0.004","9.01","0.0019","12.585","0.003","90","","123.447","0.006","90","","2029.5","0.8","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAP03202017","4,5-Dimethylbenzene-1,2-diaminium bis(pyridine-2-carboxylate)","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKα","","0.1089","0.0444","","","0.1123","0.1281","","","","","","1.014","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021514","20.061","0.003","7.8464","0.001","11.6895","0.0012","90","","90","","90","","1840","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","KAP02082017","Benzene-1,2-diamine bis(benzoic acid)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","0.5","FN3292","Powers, Kyle A.; Geiger, David K.","Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002262","","","0.71073","MoKα","","0.0395","0.0303","","","0.0801","0.0867","","","","","","1.048","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021515","5.9284","0.0004","13.6918","0.0007","16.0601","0.0012","90","","96.721","0.007","90","","1294.65","0.15","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Acetylpyridine-4-nitroimidazole hydrazone","2-(4-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C48 H48 N24 O12 -","4","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.058","0.0406","","","0.0985","0.1129","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","213660","2020-10-21","18:00:00",""
"2021516","12.189","0.001","18.7185","0.0011","12.4701","0.0009","90","","106.612","0.008","90","","2726.4","0.4","270","2","270","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2-Acetylpyridine-2-nitroimidazole hydrazone","2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[1-(pyridin-2-\ yl)ethylidene]acetohydrazide","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C96 H96 N48 O24 -","8","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.0709","0.0442","","","0.104","0.1192","","","","","","1.052","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021517","13.1965","0.0005","14.0718","0.0006","8.9747","0.0005","90","","92.596","0.004","90","","1664.88","0.13","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>Z</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone","(<i>Z</i>)-2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[(phenyl)(pyridin-2-yl)methylidene]acetohydrazide","","- C17 H14 N6 O3 -","- C17 H14 N6 O3 -","- C68 H56 N24 O12 -","4","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.0748","0.0471","","","0.117","0.1341","","","","","","1.037","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021518","5.8656","0.0004","10.3304","0.0012","13.7224","0.0016","74.736","0.01","88.725","0.008","87.006","0.008","801.04","0.15","270","2","270","2","","","","","","","","4","P -1","-P 1","2","(<i>E</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone","(<i>E</i>)-2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[(phenyl)(pyridin-2-yl)methylidene]acetohydrazide","","- C17 H14 N6 O3 -","- C17 H14 N6 O3 -","- C34 H28 N12 O6 -","2","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.1032","0.0601","","","0.1383","0.166","","","","","","1.035","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021519","9.446","0.0013","19.783","0.003","11.0766","0.0015","90","","93.821","0.003","90","","2065.3","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(3-<i>tert</i>-Butyl-5-chloro-4-hydroxyphenyl)-2-chloro-3-ethoxy-1-phenylpropan-1-one","","- C21 H24 Cl2 O3 -","- C21 H24 Cl2 O3 -","- C84 H96 Cl8 O12 -","4","1","LF3083","Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T.","Hydrogen and halogen bonding in the haloetherification products in chalcone","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001025","","","0.71073","MoKα","","0.0761","0.0528","","","0.1449","0.159","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","213721","2020-10-21","18:00:00",""
"2021520","9.6343","0.0005","19.5472","0.001","10.9965","0.0006","90","","91.584","0.002","90","","2070.11","0.19","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-3-(3-<i>tert</i>-butyl-5-bromo-4-hydroxyphenyl)-3-methoxy-1-phenylpropan-1-one","","- C20 H22 Br2 O3 -","- C20 H22 Br2 O3 -","- C80 H88 Br8 O12 -","4","1","LF3083","Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T.","Hydrogen and halogen bonding in the haloetherification products in chalcone","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001025","","","0.71073","MoKα","","0.0764","0.0417","","","0.1059","0.1165","","","","","","1.043","","","","has coordinates,has Fobs","213721","2020-10-21","18:00:00",""
"2021521","9.6342","0.0004","19.8082","0.0008","11.1545","0.0005","90","","94.076","0.001","90","","2123.3","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-3-(3-<i>tert</i>-butyl-5-bromo-4-hydroxyphenyl)-3-ethoxy-1-phenylpropan-1-one","","- C21 H24 Br2 O3 -","- C21 H24 Br2 O3 -","- C84 H96 Br8 O12 -","4","1","LF3083","Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T.","Hydrogen and halogen bonding in the haloetherification products in chalcone","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001025","","","0.71073","MoKα","","0.0516","0.0366","","","0.0844","0.0905","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","213721","2020-10-21","18:00:00",""
"2021522","18.178","0.0007","9.3386","0.0005","28.9009","0.0018","90","","99.44","0.005","90","","4839.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-<i>tert</i>-butyl 2,2'-[diselane-1,2-diylbis(2,1-phenylene)]dicarbamate","","- C22 H28 N2 O4 Se2 -","- C22 H28 N2 O4 Se2 -","- C176 H224 N16 O32 Se16 -","8","1","FN3298","Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B.","Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002341","","","0.71073","MoKα","","0.0761","0.0535","","","0.0997","0.1071","","","","","","1.128","","","","has coordinates,has Fobs","213722","2020-10-21","18:00:00",""
"2021523","9.4865","0.0003","9.741","0.0002","11.2789","0.0003","101","0.002","108.394","0.002","105.264","0.002","910.42","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","10,27-Di-<i>tert</i>-butyl 11,28-dioxo-2,3,19,20-tetraselena-10,12,27,29-tetraazapentacyclo[28.4.0.0^4,9^.0^13,18^.0^21,26^]tetratriaconta-1(30),4(9),5,7,13,15,17,21,23,25,31,33-dodecaene-10,27-dicarboxylate","","- C36 H34 N4 O6 Se4 -","- C36 H34 N4 O6 Se4 -","- C36 H34 N4 O6 Se4 -","1","0.5","FN3298","Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B.","Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002341","","","0.71073","MoKα","","0.0332","0.0258","","","0.062","0.0651","","","","","","1.051","","","","has coordinates,has Fobs","213722","2020-10-21","18:00:00",""
"2021524","6.0127","0.0012","12.056","0.002","9.962","0.002","90","","90.43","0.03","90","","722.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]]","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","KU3234","Cheng, Ling; Cao, Yingjie","A two-dimensional organic‒inorganic hybrid perovskite-type semiconductor: poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]]","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001712","","","0.71073","MoKα","","0.0404","0.0374","","","0.0812","0.0826","","","","","","1.102","","","","has coordinates,has Fobs","213785","2020-10-21","18:00:00",""
"2021525","7.6599","0.0009","7.8079","0.0008","10.014","0.0012","94.487","0.009","108.668","0.011","97.565","0.009","557.83","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(5-Amino-3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-1-yl)(2-fluorophenyl)methanon","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C20 H18 F2 N8 O2 S2 -","2","1","YO3062","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Becerra, Diana; Castillo, Juan-Carlos; Kennedy, Alan R.; Macías, Mario A.","Catalyst- and solvent-free synthesis of 2-fluoro-<i>N</i>-(3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-5-yl)benzamide through a microwave-assisted Fries rearrangement: X-ray structural and theoretical studies","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002572","","","0.71073","MoKα","","0.0491","0.0424","","","0.11","0.1164","","","","","","0.892","","","","has coordinates,has disorder,has Fobs","213850","2020-10-21","18:00:00",""
"2021526","5.0509","0.0011","26.64","0.005","8.0251","0.0016","90","","94.12","0.02","90","","1077","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Fluoro-<i>N</i>-(3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-5-yl)benzamide","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C40 H36 F4 N16 O4 S4 -","4","1","YO3062","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Becerra, Diana; Castillo, Juan-Carlos; Kennedy, Alan R.; Macías, Mario A.","Catalyst- and solvent-free synthesis of 2-fluoro-<i>N</i>-(3-methylsulfanyl-1<i>H</i>-1,2,4-triazol-5-yl)benzamide through a microwave-assisted Fries rearrangement: X-ray structural and theoretical studies","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619002572","","","0.71073","MoKα","","0.1032","0.0711","","","0.2253","0.2371","","","","","","1.103","","","","has coordinates,has Fobs","213850","2020-10-21","18:00:00",""
"2021527","27.1721","0.0015","9.7995","0.0006","16.3477","0.0009","90","","90","","90","","4353","0.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ~3~-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine-κ^3^<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^6^]","","- C18 H12 Cd N8 O6 -","- C18 H12 Cd N8 O6 -","- C144 H96 Cd8 N64 O48 -","8","1","YF3167","Liu, Jian-Jun; Li, Li-Zhi; Chen, Chun-Ping; Wei, Jin-Zhong; Cheng, Fei-Xiang","A fourfold interpenetrating cadmium(II) metal‒organic framework based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine with reversible photochromic properties","Acta Crystallographica Section C","2019","75","3","372","377","10.1107/S2053229619002663","","","0.71073","MoKα","","0.0403","0.0294","","","0.0671","0.0717","","","","","","1.033","","","","has coordinates,has Fobs","213876","2020-10-21","18:00:00",""
"2021528","13.41","0.0005","15.5455","0.0005","31.157","0.0011","90","","98.743","0.0014","90","","6419.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-(4,8-di-<i>tert</i>-butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>]\ [1,3,2]dioxaphosphepin-6-yl)oxy]-1:2κ^2^<i>P</i>:\ <i>O</i>;\ 1:2κ^2^<i>O</i>:<i>P</i>-bis{[6-([1,1'-biphenyl]-2-yloxy)-4,8-di-<i>tert</i>-\ butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-\ κ<i>P</i>]carbonylrhodium} toluene tatrasolvate","","- C142 H162 O22 P4 Rh2 -","- C142 H162 O22 P4 Rh2 -","- C284 H324 O44 P8 Rh4 -","2","0.5","QF3023","Selent, Detlef; Spannenberg, Anke; Kubis, Christoph; Börner, Armin","A dinuclear phosphite rhodium(I) complex obtained by syngas treatment of a Rh/hydroxy phosphonite olefin hydroformylation precatalyst","Acta Crystallographica Section C","2019","75","4","398","401","10.1107/S2053229619002730","","","0.71073","MoKα","","0.0425","0.0353","","","0.087","0.0929","","","","","","1.031","","","","has coordinates,has Fobs","214913","2020-10-21","18:00:00",""
"2021529","9.6321","0.0013","9.8793","0.0011","12.826","0.002","95.806","0.01","108.52","0.011","112.895","0.007","1030.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetraethylammonium <i>fac</i>-(benzhydroxamato-κ^2^<i>O</i>,<i>O</i>')bromidotricarbonylrhenate(I)","","- C18 H26 Br N2 O5 Re -","- C18 H26 Br N2 O5 Re -","- C36 H52 Br2 N4 O10 Re2 -","2","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.0221","0.0207","","","0.0488","0.0494","","","","","","1.035","","","","has coordinates","214915","2020-10-21","18:00:00",""
"2021530","10.5209","0.0015","11.9365","0.0017","12.4455","0.0017","108.277","0.007","102.745","0.007","104.252","0.007","1361","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>fac</i>-Aquatricarbonyl(4-oxo-2-phenylchromen-3-olato-\ κ^2^<i>O</i>,<i>O</i>')rhenium(I)‒3-hydroxyflavone (1/1)","","- C33 H21 O10 Re -","- C33 H21 O10 Re -","- C66 H42 O20 Re2 -","2","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.033","0.0273","","","0.058","0.0604","","","","","","1.059","","","","has coordinates","214915","2020-10-21","18:00:00",""
"2021531","5.3502","0.0006","11.3531","0.0014","18.063","0.002","90","","90","","90","","1097.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Hydroxyflavone","2-Phenylchromen-4-one","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.0392","0.0341","","","0.0802","0.0835","","","","","","1.066","","","","has coordinates,has Fobs","214915","2020-10-21","18:00:00",""
"2021532","8.898","0.0005","13.0356","0.0008","46.455","0.003","90","","90","","90","","5388.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyldimethyl{3-[(1-oxotetradecyl)amino]propyl}ammonium chloride monohydrate","","- C26 H49 Cl N2 O2 -","- C26 H49 Cl N2 O2 -","- C208 H392 Cl8 N16 O16 -","8","1","CU3137","Dolgushin, Fedor M.; Goloveshkin, Alexander S.; Ananyev, Ivan V.; Osintseva, Svetlana V.; Torubaev, Yury V.; Krylov, Sergey S.; Golub, Alexandre S.","Interplay of noncovalent interactions in antiseptic quaternary ammonium surfactant Miramistin","Acta Crystallographica Section C","2019","75","4","402","411","10.1107/S2053229619002961","","","0.71073","MoKα","","0.0723","0.0471","","","0.1061","0.1224","","","","","","1.041","","","","has coordinates,has Fobs","214916","2020-10-21","18:00:00",""
"2021533","10.5258","0.0005","11.9908","0.0006","13.0098","0.0007","113.097","0.004","90.217","0.004","99.529","0.004","1485.26","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>:<i>O</i>'}bis(methanol-κ<i>O</i>)copper(II)","","- C58 H48 Cl8 Cu2 N4 O10 -","- C58 H48 Cl8 Cu2 N4 O10 -","- C58 H48 Cl8 Cu2 N4 O10 -","1","0.5","QF3021","Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep","Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac","Acta Crystallographica Section C","2019","75","4","388","397","10.1107/S2053229619001827","","","0.71073","MoKα","","0.0484","0.035","","","0.0877","0.0915","","","","","","0.982","","","","has coordinates,has Fobs","214918","2020-10-21","18:00:00",""
"2021534","15.1741","0.0007","7.9241","0.0002","16.3037","0.0008","90","","98.073","0.004","90","","1940.95","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>,<i>O</i>'}bis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","","- C38 H32 Cl4 Cu N6 O4 -","- C38 H32 Cl4 Cu N6 O4 -","- C76 H64 Cl8 Cu2 N12 O8 -","2","0.5","QF3021","Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep","Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac","Acta Crystallographica Section C","2019","75","4","388","397","10.1107/S2053229619001827","","","0.71073","MoKα","","0.0791","0.0555","","","0.159","0.1712","","","","","","1.034","","","","has coordinates,has Fobs","214918","2020-10-21","18:00:00",""
"2021535","7.6526","0.0004","7.5494","0.0005","31.071","0.002","90","","96.277","0.005","90","","1784.29","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>,<i>O</i>'}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","","- C34 H28 Cl4 Cu N6 O4 -","- C34 H28 Cl4 Cu N6 O4 -","- C68 H56 Cl8 Cu2 N12 O8 -","2","0.5","QF3021","Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep","Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac","Acta Crystallographica Section C","2019","75","4","388","397","10.1107/S2053229619001827","","","0.71073","MoKα","","0.0946","0.0621","","","0.1683","0.1852","","","","","","1.004","","","","has coordinates,has Fobs","214918","2020-10-21","18:00:00",""
"2021536","9.8778","0.0011","12.872","0.0016","14.8025","0.0018","69.092","0.004","74.786","0.004","70.324","0.004","1633.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ-Oxalato)bis{[<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl-κ<i>O</i>)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl-κ<i>N</i>)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']gadolinium(III)}‒methanol‒water (1/4/4)","","- C62 H80 Gd2 N8 O16 -","- C60 H68 Gd2 N8 O12 -","- C60 H68 Gd2 N8 O12 -","1","0.5","WM5489","Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes","Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−)","Acta Crystallographica Section E Crystallographic Communications","2019","75","4","418","","10.1107/S2056989019002998","","","0.71073","MoKα","","0.0252","0.0199","","","0.0449","0.0464","","","","","","1.073","","","","has coordinates,has Fobs","214086","2020-10-21","18:00:00",""
"2021537","9.883","0.002","12.838","0.003","14.832","0.004","68.213","0.009","74.653","0.008","70.552","0.008","1626.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ-Oxalato)bis{[<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl-κ<i>O</i>)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl-κ<i>N</i>)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']dysprosium(III)}‒methanol‒water (1/4/4)","","- C62 H80 Dy2 N8 O16 -","- C60 H68 Dy2 N8 O12 -","- C60 H68 Dy2 N8 O12 -","1","0.5","","Barbosa, Guilherme Augusto; Santana, Francielli Sousa; Nunes, Giovana Gioppo; Soares, Jaísa Fernandes","Crystal structures of binuclear complexes of gadolinium(III) and dysprosium(III) with oxalate bridges and chelating N,N′-bis(2-oxidobenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen2−)","Acta Crystallographica Section E Crystallographic Communications","2019","75","4","418","","10.1107/S2056989019002998","","","0.71073","MoKα","","0.0313","0.0246","","","0.0577","0.0596","","","","","","1.06","","","","has coordinates,has Fobs","214086","2020-10-21","18:00:00",""
"2021538","7.2329","0.0005","12.4405","0.0007","14.7468","0.0008","82.507","0.004","79.385","0.006","86.828","0.005","1292.42","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","2","KY3165","Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","The salt‒cocrystal spectrum in salicylic acid‒adenine: the influence of crystal structure on proton-transfer balance","Acta Crystallographica Section C","2019","75","4","412","421","10.1107/S2053229619003127","","","0.71073","MoKα","","0.1481","0.0662","","","0.1033","0.1239","","","","","","1","","","","has coordinates,has Fobs","214919","2020-10-21","18:00:00",""
"2021539","22.335","0.002","4.8497","0.0004","31.567","0.003","90","","109.936","0.009","90","","3214.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Adeninium salicylate‒adenine‒salicylic acid‒water (1/2/1/2)","","- C29 H31 N15 O8 -","- C29 H31 N15 O8 -","- C116 H124 N60 O32 -","4","1","KY3165","Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","The salt‒cocrystal spectrum in salicylic acid‒adenine: the influence of crystal structure on proton-transfer balance","Acta Crystallographica Section C","2019","75","4","412","421","10.1107/S2053229619003127","","","0.71073","MoKα","","0.1692","0.0746","","","0.0904","0.1081","","","","","","1.003","","","","has coordinates,has Fobs","214919","2020-10-21","18:00:00",""
"2021540","10.7276","0.0013","11.6173","0.0014","12.524","0.002","103.051","0.002","110.504","0.002","106.834","0.002","1302.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[dysprosium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]","","- C30 H20 Dy N3 O7 -","- C30 H18 Dy N3 O7 -","- C60 H36 Dy2 N6 O14 -","2","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0308","0.0289","","","0.083","0.0843","","","","","","1.071","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021541","10.7235","0.0012","11.6222","0.0013","12.515","0.002","102.97","0.002","110.498","0.002","106.944","0.002","1301.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[holmium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]","","- C30 H20 Ho N3 O7 -","- C30 H18 Ho N3 O7 -","- C60 H36 Ho2 N6 O14 -","2","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0278","0.0252","","","0.0635","0.0651","","","","","","1.064","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021542","10.7193","0.0018","11.6076","0.0019","12.511","0.003","102.958","0.004","110.528","0.003","106.984","0.002","1298.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[erbium(III)-μ~2~-(benzene-1,2-dicarboxylato)-μ~2~-[2-(2,2':6',2''-terpyridin-4'-yl)benzoato]] monohydrate]","","- C30 H20 Er N3 O7 -","- C30 H18 Er N3 O7 -","- C60 H36 Er2 N6 O14 -","2","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0435","0.0358","","","0.0904","0.0948","","","","","","1.03","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021543","10.6397","0.0008","21.2984","0.0017","11.1255","0.0009","90","","97.14","0.001","90","","2501.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]digadolinium(III)]","","- C60 H36 Gd2 N6 O12 -","- C60 H36 Gd2 N6 O12 -","- C120 H72 Gd4 N12 O24 -","2","0.5","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0197","0.0179","","","0.0426","0.0433","","","","","","1.043","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021544","10.5699","0.0009","21.2378","0.0019","11.0639","0.001","90","","96.664","0.001","90","","2466.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]diholmium(III)]","","- C60 H36 Ho2 N6 O12 -","- C60 H36 Ho2 N6 O12 -","- C120 H72 Ho4 N12 O24 -","2","0.5","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0232","0.0196","","","0.0442","0.0456","","","","","","1.029","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021545","10.5716","0.0009","21.2401","0.0017","11.0692","0.0009","90","","96.583","0.001","90","","2469.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-benzene-1,3-dicarboxylato)bis[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]dierbium(III)]","","- C60 H36 Er2 N6 O12 -","- C60 H36 Er2 N6 O12 -","- C120 H72 Er4 N12 O24 -","2","0.5","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.029","0.0274","","","0.0655","0.0664","","","","","","1.066","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021546","24.95","0.003","10.1942","0.0012","20.145","0.002","90","","96.748","0.002","90","","5088.3","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]dysprosium(III)]","","- C30 H18 Dy N3 O6 -","- C30 H18 Dy N3 O6 -","- C240 H144 Dy8 N24 O48 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.041","0.0308","","","0.0755","0.0805","","","","","","1.065","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021547","24.914","0.005","10.208","0.002","20.132","0.004","90","","96.64","0.003","90","","5085.7","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]holmium(III)]","","- C30 H18 Ho N3 O6 -","- C30 H18 Ho N3 O6 -","- C240 H144 Ho8 N24 O48 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0649","0.0416","","","0.0811","0.0887","","","","","","1.031","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021548","24.8569","0.0019","10.2084","0.0008","20.1195","0.0016","90","","96.467","0.001","90","","5072.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]erbium(III)]","","- C30 H18 Er N3 O6 -","- C30 H18 Er N3 O6 -","- C240 H144 Er8 N24 O48 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0236","0.0201","","","0.0462","0.0475","","","","","","1.04","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021549","24.689","0.002","10.2783","0.0009","20.0241","0.0018","90","","96.362","0.001","90","","5050","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-P 2yc","15","","Poly[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]ytterbiumIII)]","","- C30 H18 N3 O6 Yb -","- C30 H18 N3 O6 Yb -","- C240 H144 N24 O48 Yb8 -","8","1","QP3023","Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin","Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands","Acta Crystallographica Section C","2019","75","4","422","432","10.1107/S2053229619003437","","","0.71073","MoKα","","0.0279","0.0259","","","0.0678","0.0691","","","","","","1.066","","","","has coordinates,has Fobs","214914","2020-10-21","18:00:00",""
"2021550","12.4355","0.0003","21.6501","0.0004","11.9462","0.0003","90","","115.364","0.004","90","","2906.24","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[μ-Bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}bis({6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}cobalt(III)) acetonitrile tetrasolvate","","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","- C124 H132 Co4 N20 O24 -","2","0.5","KY3166","Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros","Polymorphism of the dinuclear Co^III^‒Schiff base complex [Co~2~(<i>o</i>-van-en)~3~]·4CH~3~CN (<i>o</i>-van-en is a salen-type ligand)","Acta Crystallographica Section C","2019","75","4","433","442","10.1107/S2053229619003115","","","0.71073","MoKα","","0.0707","0.045","","","0.0954","0.1063","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","214920","2020-10-21","18:00:00",""
"2021551","10.4971","0.0005","11.6195","0.0005","13.7158","0.0006","70.471","0.004","71.667","0.004","72.466","0.004","1460.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[μ-Bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}bis({6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}cobalt(III)) acetonitrile tetrasolvate","","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","1","0.5","KY3166","Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros","Polymorphism of the dinuclear Co^III^‒Schiff base complex [Co~2~(<i>o</i>-van-en)~3~]·4CH~3~CN (<i>o</i>-van-en is a salen-type ligand)","Acta Crystallographica Section C","2019","75","4","433","442","10.1107/S2053229619003115","","","0.71073","MoKα","","0.0466","0.0373","","","0.089","0.0941","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","214920","2020-10-21","18:00:00",""
"2021552","9.1819","0.0004","18.0782","0.0007","11.7932","0.0005","90","","102.977","0.004","90","","1907.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole}copper(II)] bis(methanesulfonate) tetrahydrate]","","- C28 H38 Cu N12 O10 S4 -","- C28 H38 Cu N12 O10 S4 -","- C56 H76 Cu2 N24 O20 S8 -","2","0.5","YP3177","Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping","The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole","Acta Crystallographica Section C","2019","75","4","443","450","10.1107/S2053229619003747","","x-ray","1.54184","CuKα","","0.0557","0.0422","","","0.1276","0.1433","","","","","","1.119","","","","has coordinates,has Fobs","214917","2020-10-21","18:00:00",""
"2021553","9.6589","0.0003","23.1463","0.0005","15.5643","0.0004","90","","104.305","0.003","90","","3371.79","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[copper(II)-bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-4-ylmethyl)sulfanyl]-1,2,4-triazole}] bis(perchlorate) monohydrate]","","- C26 H26 Cl2 Cu N12 O9 S2 -","- C26 H26 Cl2 Cu N12 O9 S2 -","- C104 H104 Cl8 Cu4 N48 O36 S8 -","4","1","YP3177","Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping","The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole","Acta Crystallographica Section C","2019","75","4","443","450","10.1107/S2053229619003747","","x-ray","1.54184","CuKα","","0.077","0.0613","","","0.1657","0.1821","","","","","","1.029","","","","has coordinates,has Fobs","214917","2020-10-21","18:00:00",""
"2021554","9.5651","0.0005","12.6688","0.0006","15.2716","0.0006","85.727","0.004","80.36","0.004","76.734","0.004","1774.51","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[copper(II)-bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-4-ylmethyl)sulfanyl]-1,2,4-triazole}] dinitrate methanol disolvate]","","- C28 H32 Cu N14 O8 S2 -","- C28 H32 Cu N14 O8 S2 -","- C56 H64 Cu2 N28 O16 S4 -","2","1","YP3177","Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping","The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole","Acta Crystallographica Section C","2019","75","4","443","450","10.1107/S2053229619003747","","x-ray","0.71073","MoKα","","0.0624","0.0461","","","0.1129","0.1257","","","","","","1.03","","","","has coordinates,has Fobs","214917","2020-10-21","18:00:00",""
"2021555","10.2037","0.0003","9.1372","0.0003","17.9981","0.0005","90","","92.26","0.001","90","","1676.72","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diphenyl (3,4-difluorophenyl)phosphoramidate","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C72 H56 F8 N4 O12 P4 -","4","1","JX3028","Hasija, Avantika; Chopra, Deepak","Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative","Acta Crystallographica Section C","2019","75","4","451","461","10.1107/S2053229619003589","","","0.71073","MoKα","","0.0323","0.0298","","","0.0781","0.0798","","","","","","1.056","","","","has coordinates,has Fobs","214921","2020-10-21","18:00:00",""
"2021556","35.0582","0.0008","7.2554","0.0001","13.3647","0.0003","90","","90","","90","","3399.46","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Diphenyl (3,4-difluorophenyl)phosphoramidate","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C144 H112 F16 N8 O24 P8 -","8","2","JX3028","Hasija, Avantika; Chopra, Deepak","Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative","Acta Crystallographica Section C","2019","75","4","451","461","10.1107/S2053229619003589","","","0.71073","MoKα","","0.0696","0.0516","","","0.1078","0.1151","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","214921","2020-10-21","18:00:00",""
"2021557","24.368","0.003","14.7921","0.0018","33.349","0.004","90","","103.63","0.005","90","","11682","2","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) chloride benzene monosolvate","","- C64 H58 Au Cl N4 O4 -","- C64 H58 Au Cl N4 O4 -","- C512 H464 Au8 Cl8 N32 O32 -","8","1","FN3296","Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy","Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions","Acta Crystallographica Section C","2019","75","4","462","468","10.1107/S2053229619003292","","","0.71073","MoKα","","0.0747","0.05","","","0.1079","0.1189","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","214404","2020-10-21","18:00:00",""
"2021558","11.9236","0.0011","15.1244","0.0014","18.4014","0.0016","100.46","0.003","105.164","0.003","103.994","0.003","2999.8","0.5","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) dichloridaurate(I) dichloromethane disolvate","","- C60 H56 Au2 Cl6 N4 O4 -","- C60 H56 Au2 Cl6 N4 O4 -","- C120 H112 Au4 Cl12 N8 O8 -","2","1","FN3296","Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy","Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions","Acta Crystallographica Section C","2019","75","4","462","468","10.1107/S2053229619003292","","","0.71073","MoKα","","0.0701","0.0518","","","0.1296","0.138","","","","","","0.99","","","","has coordinates,has Fobs","214404","2020-10-21","18:00:00",""
"2021559","11.507","0.004","12.853","0.005","15.795","0.006","90","","110.602","0.005","90","","2186.7","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pentaaquacobalt(III)]-μ-aspartato-[γ-octamolybdato]-μ-aspartato- [pentaaquacobalt(III)]","","- C8 H40 Co2 Mo8 N2 O48 -","- C8 H40 Co2 Mo8 N2 O48 -","- C16 H80 Co4 Mo16 N4 O96 -","2","0.5","JX3036","Tahmasebi, Morteza; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","An inorganic‒organic hybrid supramolecular framework based on the γ-[Mo~8~O~26~]^4{-^} cluster and cobalt complex of aspartic acid: X-ray structure and DFT study","Acta Crystallographica Section C","2019","75","4","469","477","10.1107/S2053229619004029","","","0.71073","MoKα","","0.0363","0.0297","","","0.0761","0.0777","","","","","","1.034","","","","has coordinates,has Fobs","214432","2020-10-21","18:00:00",""
"2021560","6.3503","0.0004","14.9583","0.0009","12.3127","0.0009","90","","97.149","0.003","90","","1160.49","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(2,2-difluoropropanethioato-κ<i>S</i>)manganese(I)","","- C8 H3 F2 Mn O6 S -","- C8 H3 F2 Mn O6 S -","- C32 H12 F8 Mn4 O24 S4 -","4","1","SU5491","Daran, Jean-Claude; Morales-Cerrada, Roberto; Fliedel, Christophe; Gayet, Florence; Ladmiral, Vincent; Ameduri, Bruno; Poli, Rinaldo","Crystal structure of pentacarbonyl(2,2-difluoropropanethioato-κS)manganese(I)","Acta Crystallographica Section E Crystallographic Communications","2019","75","5","529","","10.1107/S2056989019004134","","","0.71073","MoKα","","0.0291","0.0232","","","0.0587","0.0619","","","","","","1.041","","","","has coordinates,has disorder","214469","2020-10-21","18:00:00",""
"2021561","9.5199","0.0003","8.67","0.0002","9.5471","0.0003","90","","119.158","0.005","90","","688.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sodium zinc aluminium phosphate","Sodium zinc aluminium bis(phosphate)","","- Al Na O8 P2 Zn -","- Al Na O8 P2 Zn -","- Al4 Na4 O32 P8 Zn4 -","4","1","FN3303","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoliy; Dimitrova, Olga","The rich crystal chemistry of the <i>AMM</i>'(PO~4~)~2~ morphotropic series: NaZnAl(PO~4~)~2~, the first Na representative with a new structure type","Acta Crystallographica Section C","2019","75","5","514","522","10.1107/S2053229619004327","","","0.71073","MoKα","","0.0436","0.0366","","","0.0679","0.0702","","","","","","1.211","","","","has coordinates,has Fobs","215658","2020-10-21","18:00:00",""
"2021562","15.7821","0.0013","16.2877","0.0014","19.1051","0.0015","90","","104.457","0.003","90","","4755.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>'] nitrate]","","- C23 H24 Cu N6 O7 -","- C23 H24 Cu N6 O7 -","- C184 H192 Cu8 N48 O56 -","8","2","SK3718","Bhat, Satish Shantaram; Shivalingegowda, Naveen; Revankar, Vidyanand Krishna; Kawade, Vitthal Ajinath; Butcher, Ray J.; Lokanath, Neratur Krishnappagowda","One-dimensional copper(II) coordination polymers based on 1,3-bis(pyridin-4-yl)propane and diimine ligands","Acta Crystallographica Section C","2019","75","5","496","503","10.1107/S2053229619004042","","","1.54178","CuKα","","0.0609","0.0525","","","0.1436","0.1509","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","215661","2020-10-21","18:00:00",""
"2021563","16.0181","0.0008","15.8775","0.0008","20.0316","0.0009","90","","106.14","0.002","90","","4893.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[aqua(nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>'] nitrate]","","- C25 H24 Cu N6 O7 -","- C25 H24 Cu N6 O7 -","- C200 H192 Cu8 N48 O56 -","8","2","SK3718","Bhat, Satish Shantaram; Shivalingegowda, Naveen; Revankar, Vidyanand Krishna; Kawade, Vitthal Ajinath; Butcher, Ray J.; Lokanath, Neratur Krishnappagowda","One-dimensional copper(II) coordination polymers based on 1,3-bis(pyridin-4-yl)propane and diimine ligands","Acta Crystallographica Section C","2019","75","5","496","503","10.1107/S2053229619004042","","","1.54178","CuKα","","0.0922","0.0785","","","0.1988","0.2119","","","","","","1.047","","","","has coordinates,has Fobs","215661","2020-10-21","18:00:00",""
"2021564","11.622","0.005","12.346","0.006","18.669","0.009","90","","92.13","0.03","90","","2677","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ~2~-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)zinc(II)] 1.76-hydrate]","","- C26 H23.52 N4 O7.76 Zn -","- C26 H23.52 N4 O7.76 Zn -","- C104 H94.08 N16 O31.04 Zn4 -","4","1","YO3061","Chen, Hui-Ru","A fourfold interpenetrating diamond-like three-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2019","75","5","504","507","10.1107/S2053229619004303","","","0.71073","MoKα","","0.0337","0.0285","","","0.0768","0.079","","","","","","1.053","","","","has coordinates,has Fobs","215662","2020-10-21","18:00:00",""
"2021565","17.8173","0.0004","18.0361","0.0004","18.0674","0.0004","105.211","0.002","93.579","0.002","100.586","0.002","5469.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tris[μ-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-<i>triangulo</i>-tris[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')palladium(II)] hexakis(hexafluoridophosphate) acetonitrile heptasolvate","","- C80 H75 F36 N25 P6 Pd3 -","- C80 H75 F36 N25 P6 Pd3 -","- C160 H150 F72 N50 P12 Pd6 -","2","1","QP3020","Daran, Jean-Claude; Gimeno, Nicolas; Gouygou, Maryse; Volkman, Jérôme","A triangular palladium(II) supramolecular coordination complex based on 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene and (2,2'-bipyridyl)palladium(II) nitrate: synthesis and crystal structure","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619004212","","x-ray","0.71073","MoKα","","0.0668","0.0514","","","0.1395","0.1489","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","214563","2020-10-21","18:00:00",""
"2021566","13.5997","0.0006","9.0354","0.0004","16.5974","0.0008","90","","108.646","0.002","90","","1932.42","0.15","300","2","300.39","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoylmetronidazole‒benzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒benzoic acid (1/1)","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C80 H76 N12 O24 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0653","0.0454","","","0.1045","0.1297","","","","","","1.07","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021567","8.5105","0.0008","22.387","0.002","11.7752","0.0011","90","","108.664","0.004","90","","2125.5","0.3","300","2","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒β-naphthol (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒β-naphthol (1/1)","","- C23 H21 N3 O5 -","- C23 H21 N3 O5 -","- C92 H84 N12 O20 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0798","0.0584","","","0.1554","0.1932","","","","","","1.061","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021568","9.1309","0.0004","11.1274","0.0004","11.8538","0.0005","107.365","0.001","103.27","0.001","110.091","0.001","1002.73","0.07","300","2","300","","","","","","","","","4","P -1","-P 1","2","Benzoylmetronidazole‒4-methoxybenzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒4-methoxybenzoic acid (1/1)","","- C21 H21 N3 O7 -","- C21 H21 N3 O7 -","- C42 H42 N6 O14 -","2","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0689","0.0586","","","0.1509","0.1647","","","","","","1.049","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021569","21.0988","0.0013","8.4322","0.0005","12.0341","0.0008","90","","99.505","0.002","90","","2111.6","0.2","300","2","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒3,5-dinitrobenzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒3,5-dinitrobenzoic acid (1/1)","","- C20 H17 N5 O10 -","- C20 H17 N5 O10 -","- C80 H68 N20 O40 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0975","0.0645","","","0.1783","0.2129","","","","","","1.142","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021570","7.9316","0.0007","11.9585","0.0012","12.1978","0.0012","76.362","0.003","78.927","0.003","79.583","0.003","1092.21","0.18","300","2","300","","","","","","","","","4","P -1","-P 1","2","Benzoylmetronidazole‒3-aminobenzoic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒3-aminobenzoic acid (1/1)","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C40 H40 N8 O12 -","2","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.1051","0.0536","","","0.1353","0.1679","","","","","","1.005","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021571","9.5055","0.0006","31.2239","0.0019","6.8578","0.0004","90","","102.628","0.002","90","","1986.2","0.2","301","2","301.34","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒salicylic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒salicylic acid (1/1)","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0484","0.0417","","","0.1079","0.115","","","","","","1.055","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021572","43.13","0.003","5.7944","0.0004","15.2645","0.0011","90","","109.6","0.003","90","","3593.8","0.4","302","2","302.34","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Benzoylmetronidazole‒maleic acid (1/1)","1-[2-(Benzoyloxy)ethyl]-2-methyl-5-nitro-1<i>H</i>-imidazol-3-ium 3-carboxyprop-2-enoate","","- C17 H17 N3 O8 -","- C17 H17 N3 O8 -","- C136 H136 N24 O64 -","8","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.1237","0.0557","","","0.1173","0.1465","","","","","","1.019","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021573","8.83","0.0003","33.7182","0.001","7.3199","0.0002","90","","107.878","0.001","90","","2074.13","0.11","304","2","304","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒isophthalic acid (1/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒isophthalic acid (1/1)","","- C21 H19 N3 O8 -","- C21 H19 N3 O8 -","- C84 H76 N12 O32 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0668","0.0502","","","0.1313","0.1445","","","","","","1.035","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021574","26.3241","0.0004","7.1612","0.0001","33.8433","0.0005","90","","90","","90","","6379.87","0.16","300","2","300.39","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Benzoylmetronidazole‒resorcinol (2/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒resorcinol (2/1)","","- C32 H32 N6 O10 -","- C32 H32 N6 O10 -","- C256 H256 N48 O80 -","8","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0579","0.0484","","","0.1329","0.1466","","","","","","1.033","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021575","9.0358","0.0005","26.6419","0.0014","6.8796","0.0003","90","","102.419","0.002","90","","1617.38","0.14","300","2","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzoylmetronidazole‒fumaric acid (2/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒fumaric acid (2/1)","","- C30 H30 N6 O12 -","- C30 H30 N6 O12 -","- C60 H60 N12 O24 -","2","0.5","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0752","0.0514","","","0.1298","0.1507","","","","","","1.046","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021576","26.1542","0.0004","7.2708","0.0001","16.6719","0.0003","90","","90","","90","","3170.36","0.09","300","","297","","","","","","","","","4","P b c n","-P 2n 2ab","60","Benzoylmetronidazole‒malonic acid (4/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒malonic acid (4/1)","","- C29 H28 N6 O12 -","- C29 H28 N6 O12 -","- C116 H112 N24 O48 -","4","0.5","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0834","0.0779","","","0.2572","0.2678","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","214564","2020-10-21","18:00:00",""
"2021577","8.2443","0.0004","15.9009","0.0007","15.4526","0.0008","90","","102.454","0.002","90","","1978.04","0.17","301","2","301.07","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoylmetronidazole‒2,6-dihydroxybenzoic acid (1/1)","1-[2-(Benzoyloxy)ethyl]-2-methyl-5-nitro-1<i>H</i>-imidazol-3-ium 2,6-dihydroxybenzoate","","- C20 H19 N3 O8 -","- C20 H19 N3 O8 -","- C80 H76 N12 O32 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","0.71073","MoKα","","0.0847","0.0691","","","0.167","0.1853","","","","","","1.1","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021578","7.1481","0.0002","36.7892","0.0008","18.0584","0.0004","90","","100.451","0.001","90","","4670.1","0.2","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoylmetronidazole‒3,5-dihydroxybenzoic acid (3/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒3,5-dihydroxybenzoic acid (3/1)","","- C46 H45 N9 O16 -","- C46 H45 N9 O16 -","- C184 H180 N36 O64 -","4","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0865","0.0516","","","0.1322","0.1757","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","214564","2020-10-21","18:00:00",""
"2021579","5.01","0.0002","9.593","0.0004","17.3488","0.0008","91.192","0.002","96.049","0.002","92.858","0.002","827.84","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Cd(cptpy)~2~]~n~","Poly[bis[μ~3~-4-(3,2':6',3''-terpyridin-4'-yl)benzoato]cadmium(II)]","","- C44 H28 Cd N6 O4 -","- C44 H28 Cd N6 O4 -","- C44 H28 Cd N6 O4 -","1","0.5","CU3138","Xu, Bin; Luo, Fuming; Tang, Guodong; Zhang, Jinfang","A 4'-(4-carboxyphenyl)-3,2':6',3''-terpyridine-based luminescent cadmium(II) coordination polymer for the detection of 2,4,6-trinitrophenol","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619004248","","","0.71073","MoKα","","0.0232","0.0227","","","0.0592","0.0596","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","214565","2020-10-21","18:00:00",""
"2021580","18.5007","0.0004","18.5396","0.0004","14.809","0.0003","90","","91.9976","0.0017","90","","5076.33","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Acetato-1κ<i>O</i>:2κ<i>O</i>'-μ-propanoato-1κ<i>O</i>:2κ<i>O</i>'-bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>'-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>) dichloromethane monosolvate","","- C52 H52 Cl2 O8 Os2 P2 -","- C52 H52 Cl2 O8 Os2 P2 -","- C208 H208 Cl8 O32 Os8 P8 -","4","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","1.54184","CuKα","","0.0267","0.0232","","","0.0531","0.0548","","","","","","0.998","","","","has coordinates,has disorder","215660","2020-10-21","18:00:00",""
"2021581","7.6949","0.0005","14.3612","0.001","13.8623","0.0009","90","","105.202","0.001","90","","1478.29","0.17","200","2","200.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')bis(tricarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C10 H6 O10 Os2 -","- C10 H6 O10 Os2 -","- C40 H24 O40 Os8 -","4","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0254","0.0227","","","0.0536","0.0549","","","","","","1.086","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021582","10.452","0.004","11.229","0.004","13.045","0.005","82.813","0.006","89.157","0.008","89.457","0.009","1518.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>)","","- C30 H27 O9 Os2 P -","- C30 H27 O9 Os2 P -","- C60 H54 O18 Os4 P2 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0216","0.0197","","","0.0442","0.0449","","","","","","1.024","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021583","12.81225","0.00016","14.8455","0.0002","16.6818","0.0002","98.1785","0.0011","101.79","0.0011","113.385","0.0014","2761.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-acetato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>) <i>p</i>-xylene sesquisolvate","","- C62 H63 O8 Os2 P2 -","- C62 H63 O8 Os2 P2 -","- C124 H126 O16 Os4 P4 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.0321","0.0266","","","0.0648","0.0678","","","","","","1.047","","","","has coordinates","215660","2020-10-21","18:00:00",""
"2021584","9.79942","0.0001","15.51827","0.00019","21.7339","0.0002","90","","90","","90","","3305.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')bis(tricarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C12 H10 O10 Os2 -","- C12 H10 O10 Os2 -","- C96 H80 O80 Os16 -","8","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.0187","0.0175","","","0.0385","0.0391","","","","","","1.034","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021585","10.0952","0.0002","11.663","0.0003","13.7536","0.0003","88.6185","0.0019","86.7627","0.0018","86.9563","0.0019","1614.13","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>)","","- C32 H31 O9 Os2 P -","- C32 H31 O9 Os2 P -","- C64 H62 O18 Os4 P2 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.02","0.019","","","0.0457","0.0463","","","","","","1.081","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021586","18.4968","0.0006","18.7369","0.0007","14.9214","0.0006","90","","91.806","0.002","90","","5168.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>), dichloromethane monosolvate","","- C53 H54 Cl2 O8 Os2 P2 -","- C53 H54 Cl2 O8 Os2 P2 -","- C212 H216 Cl8 O32 Os8 P8 -","4","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0505","0.0356","","","0.0671","0.0711","","","","","","1.073","","","","has coordinates,has disorder","215660","2020-10-21","18:00:00",""
"2021587","10.7707","0.0004","10.8014","0.0004","20.379","0.0007","104.393","0.001","91.009","0.001","98.993","0.001","2264.27","0.14","200","2","199.94","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-formato-1κ<i>O</i>:2κ<i>O</i>')bis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>-bis(dicarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C48 H44 O8 Os2 P2 -","- C48 H44 O8 Os2 P2 -","- C96 H88 O16 Os4 P4 -","2","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","","0.71073","MoKα","","0.0375","0.0303","","","0.0776","0.0817","","","","","","1.064","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021588","5.4874","0.0001","43.4767","0.0007","11.4892","0.0002","90","","98.144","0.002","90","","2713.38","0.08","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","Ivabradine hydrochloride hemihydrate","{[3,4-Dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}[3-(7,8-dimethoxy-2-oxo-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-3-yl)propyl]methylazanium hemihydrate","","- C27 H38 Cl N2 O5.5 -","- C27 H38 Cl N2 O5.5 -","- C108 H152 Cl4 N8 O22 -","4","2","QF3025","Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong","Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride","Acta Crystallographica Section C","2019","75","5","545","553","10.1107/S2053229619004819","","","1.54184","CuKα","","0.0426","0.0372","","","0.0919","0.0957","","","","","","1.04","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021589","8.6747","0.0002","18.2437","0.0005","38.6507","0.0009","90","","90","","90","","6116.8","0.3","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ivabradine hydrochloride tetrahydrate","[3-(7,8-Dimethoxy-2-oxo-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-3-yl)propyl]{[3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}methylazanium tetrahydrate","","- C27 H45 Cl N2 O9 -","- C27 H45 Cl N2 O9 -","- C216 H360 Cl8 N16 O72 -","8","2","QF3025","Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong","Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride","Acta Crystallographica Section C","2019","75","5","545","553","10.1107/S2053229619004819","","","0.71073","MoKα","","0.1133","0.0427","","","0.0861","0.106","","","","","","0.956","","","","has coordinates,has Fobs","215659","2020-10-21","18:00:00",""
"2021590","11.2427","0.0003","10.1287","0.0002","17.7683","0.0003","90","","92.501","0.002","90","","2021.42","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Benzoato-κ^2^<i>O</i>,<i>O</i>')[(<i>E</i>)-2-({[2-(diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II) dihydrate","","- C20 H28 Cu N2 O5 -","- C20 H28 Cu N2 O5 -","- C80 H112 Cu4 N8 O20 -","4","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.0415","0.0283","","","0.0694","0.0756","","","","","","1.066","","","","has coordinates,has Fobs","215664","2020-10-21","18:00:00",""
"2021591","23.1862","0.001","6.4178","0.0003","13.1598","0.0006","90","","90","","90","","1958.24","0.15","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","[(<i>E</i>)-2-({[2-(Diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>](2-phenylacetato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C21 H26 Cu N2 O3 -","- C21 H26 Cu N2 O3 -","- C84 H104 Cu4 N8 O12 -","4","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.1145","0.0557","","","0.0951","0.1207","","","","","","1.04","","","","has coordinates,has Fobs","215664","2020-10-21","18:00:00",""
"2021592","10.51085","0.00016","22.2419","0.0005","28.8403","0.0005","90","","90","","90","","6742.3","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-(<i>E</i>)-2-({[3-(diethylamino)propyl]imino}methyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II) perchlorate","","- C32 H41 Cl Cu2 N4 O8 -","- C32 H41 Cl Cu2 N4 O8 -","- C256 H328 Cl8 Cu16 N32 O64 -","8","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.12","0.0527","","","0.1031","0.1349","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","215664","2020-10-21","18:00:00",""
"2021593","8.337","0.004","8.337","0.004","4.229","0.002","90","","90","","120","","254.6","0.2","150","2","150","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Hexagadolinium iron bismuthide","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","FN3304","Zhang, Jiliang; Kang, Yong-Mook; Shan, Guangcun; Bobev, Svilen","Structural analysis of Gd~6~FeBi~2~ from single-crystal X-ray diffraction methods and electronic structure calculations","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619004868","","","0.71073","MoKα","","0.0263","0.0234","","","0.0392","0.0401","","","","","","1.042","","","","has coordinates,has Fobs","214651","2020-10-21","18:00:00",""
"2021594","7.9134","0.0018","9.06","0.002","18.63","0.004","95.21","0.03","100.79","0.03","107.14","0.03","1238.5","0.6","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Poly[[di-μ-aqua-diaquabis{μ~5~-4,4',4''-[benzene-1,3,5-triyltris(oxy)]tribenzoato}tricadmium(II)] dihydrate]","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","YF3170","Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli","Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization","Acta Crystallographica Section C","2019","75","5","575","583","10.1107/S2053229619004960","","","0.71073","MoKα","","0.026","0.0228","","","0.063","0.0652","","","","","","1.01","","","","has coordinates,has Fobs","215657","2020-10-21","18:00:00",""
"2021595","25.853","0.005","18.594","0.004","17.168","0.003","90","","107.14","0.03","90","","7886","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[aqua{μ~6~-4,4',4''-[benzene-1,3,5-triyltris(oxy)]tribenzoato}(μ-formato)[μ-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]dicadmium(II)] dihydrate]","","- C40 H32 Cd2 N4 O14 -","- C40 H28 Cd2 N4 O12 -","- C320 H224 Cd16 N32 O96 -","8","1","YF3170","Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli","Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization","Acta Crystallographica Section C","2019","75","5","575","583","10.1107/S2053229619004960","","","0.71","synchrotron","","0.0458","0.0389","","","0.1159","0.1206","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","215657","2020-10-21","18:00:00",""
"2021596","6.3506","0.0006","9.2241","0.0009","13.4984","0.0013","79.091","0.008","87.215","0.008","85.815","0.008","773.87","0.13","295","0.14","295","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0819","0.0496","","","0.106","0.1228","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021597","6.3453","0.0003","9.1929","0.0005","13.4917","0.0007","79.103","0.005","87.266","0.004","85.857","0.005","770.32","0.07","275","0.14","275","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0743","0.0484","","","0.1023","0.1149","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021598","6.3346","0.0003","9.1641","0.0005","13.4642","0.0007","79.222","0.004","87.305","0.004","85.936","0.004","765.44","0.07","250","0.14","250","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.067","0.0456","","","0.0997","0.1109","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021599","6.3186","0.0005","9.1502","0.0008","13.4244","0.0011","79.314","0.007","87.303","0.007","85.948","0.007","760.33","0.11","225","0.14","225","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0611","0.0435","","","0.0913","0.1001","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021600","6.3064","0.0005","9.1298","0.0007","13.3984","0.0011","79.397","0.007","87.344","0.007","85.986","0.006","755.96","0.11","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0564","0.0406","","","0.0878","0.0968","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021601","6.2891","0.0003","9.096","0.0004","13.3659","0.0005","79.436","0.004","87.381","0.003","86.026","0.004","749.41","0.06","175","0.14","175","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0518","0.0391","","","0.088","0.095","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021602","6.2738","0.0003","9.0824","0.0004","13.3414","0.0005","79.449","0.004","87.415","0.003","86.013","0.004","745.14","0.06","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0493","0.0383","","","0.0868","0.0931","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021603","6.2586","0.0002","9.0748","0.0004","13.3249","0.0005","79.432","0.003","87.442","0.003","85.975","0.003","741.73","0.05","124.9","0.3","124.9","0.3","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0453","0.0363","","","0.0818","0.0862","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021604","6.2433","0.0002","9.0724","0.0004","13.3119","0.0005","79.359","0.004","87.461","0.003","85.933","0.003","738.8","0.05","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.044","0.0359","","","0.0816","0.086","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021605","6.4948","0.0003","9.052","0.0004","13.4605","0.0006","82.467","0.004","85.251","0.004","85.836","0.004","780.3","0.06","295","0.14","295","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0686","0.0442","","","0.1026","0.1156","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021606","6.4468","0.0003","9.0141","0.0005","13.485","0.0007","82.36","0.004","85.368","0.004","85.553","0.004","772.38","0.07","250","0.14","250","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0729","0.0482","","","0.1076","0.1215","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021607","6.3939","0.0003","8.9809","0.0004","13.5213","0.0007","82.129","0.004","85.602","0.004","85.341","0.004","764.89","0.06","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0629","0.0451","","","0.103","0.1131","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021608","6.3358","0.0008","8.9455","0.0011","13.5482","0.0015","81.976","0.01","85.919","0.01","85.273","0.01","756.38","0.16","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.0737","0.05","","","0.1117","0.1265","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021609","6.3091","0.001","8.927","0.0015","13.576","0.003","81.882","0.016","86.073","0.016","85.167","0.013","753","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","tolazamide","1-[(Azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","KU3243","Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study","Acta Crystallographica Section C","2019","75","5","598","608","10.1107/S2053229619005217","","x-ray","0.71073","MoKα","","0.1069","0.069","","","0.1473","0.1729","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","215663","2020-10-21","18:00:00",""
"2021610","3.92672","0.00005","12.9632","0.0002","10.0974","0.0001","90","","90","","90","","513.987","0.011","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium erbium copper trisulfide","","- Cu Er S3 Sr -","- Cu Er S3 Sr -","- Cu4 Er4 S12 Sr4 -","4","0.25","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.02603","","","","","","","","3.62695","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021611","10.3288","0.0002","3.96271","0.00007","12.9397","0.0002","90","","90","","90","","529.622","0.016","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium gadolinium copper trisulfide","","- Cu Gd S3 Sr -","- Cu Gd S3 Sr -","- Cu4 Gd4 S12 Sr4 -","4","0.5","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.02183","","","","","","","","2.76254","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021612","3.91105","0.00004","12.9504","0.0001","10.0206","0.0001","90","","90","","90","","507.54","0.008","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Strontium lutetium copper trisulfide","","- Cu Lu S3 Sr -","- Cu Lu S3 Sr -","- Cu4 Lu4 S12 Sr4 -","4","0.25","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.01272","","","","","","","","3.41375","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021613","10.4285","0.0002","3.9864","0.00007","12.9325","0.0002","90","","90","","90","","537.632","0.016","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Strontium samarium copper trisulfide","","- Cu S3 Sm Sr -","- Cu S3 Sm Sr -","- Cu4 S12 Sm4 Sr4 -","4","0.5","LG3238","Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V.","Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu)","Acta Crystallographica Section C","2019","75","5","584","588","10.1107/S2053229619004984","powder diffraction","x-ray","1.5418","CuKα","","0.0209","","","","","","","","2.57424","","","","","","","has coordinates,has Fobs","215665","2020-10-21","18:00:00",""
"2021614","11.0764","0.0005","9.6272","0.0004","10.1113","0.0005","90","","114.281","0.001","90","","982.84","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquatri-μ~2~-oxalato-dieuropium] 4.34-hydrate]","","- C3 H6 Eu O11.34 -","- C3 H6 Eu O11.3421 -","- C12 H24 Eu4 O45.3684 -","4","1","QP3022","Alexander, Dinu; Thomas, Kukku; Joy, Monu; Biju, P. R.; Unnikrishnan, N. V.; Joseph, Cyriac","Structural and spectroscopic investigations on the quenching free luminescence of europium oxalate nanocrystals","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619005059","","","0.71073","MoKα","","0.016","0.0133","","","0.0296","0.0303","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","214848","2020-10-21","18:00:00",""
"2021615","14.358","0.006","17.333","0.007","38.902","0.019","90","","90","","90","","9681","7","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Dibutyl 5,5'-(pentane-3,3-diyl)bis(1<i>H</i>-pyrrole-5-carboxylate)","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C368 H544 N32 O64 -","16","","FF2158","Wang, Haijing; Yin, Zhenming","Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate)","Acta Crystallographica Section E Crystallographic Communications","2019","75","6","711","","10.1107/S205698901900567X","","","0.71073","MoKα","","0.1056","0.0806","","","0.2339","0.2782","","","","","","1.048","","","","has coordinates,has Fobs","214937","2020-10-21","18:00:00",""
"2021616","6.6775","0.0005","5.0982","0.0004","4.19239","0.00029","90","","109.259","0.0013","90","","134.736","0.017","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Barium Calcium Carbonate","","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","1","0.25","","Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn","A new BaCa(CO3)2 polymorph","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","","","10.1107/S2052520619003238","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.13286","","","","","","","","","has coordinates,has Fobs","215128","2020-10-21","18:00:00",""
"2021617","9.2244","0.0007","11.554","0.0008","12.8659","0.0009","90","","97.722","0.006","90","","1358.8","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[3,14-Diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) bis(perchlorate)‒3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate) (0.69/0.31)","","- C22 H44.62 Cl2 Cu0.69 N4 O8 -","- C22 H44.624 Cl2 Cu0.688 N4 O8 -","- C44 H89.248 Cl4 Cu1.376 N8 O16 -","2","0.5","YF3174","Moncol, Jan; Mazúr, Milan; Valko, Marian; Choi, Jong-Ha","Synthesis, structural characterization, EPR spectroscopy and Hirshfeld surface analysis of a novel Cu^2+^-doped 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate)","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005588","","","1.54186","CuKα","","0.1059","0.0765","","","0.189","0.207","","","","","","0.956","","","","has coordinates,has disorder","215169","2020-10-21","18:00:00",""
"2021618","7.8682","0.0003","7.8682","0.0003","52.555","0.003","90","","90","","120","","2817.7","0.2","120","2","120","2","","","","","","","","3","P 65","P 65","170","","Methyl α-<i>D</i>-mannopyranosyl-(1-3)-2-<i>O</i>-Acetyl-β-<i>D</i>-mannopyranoside monohydrate","","- C15 H28 O13 -","- C15 H28 O13 -","- C90 H168 O78 -","6","1","QS3082","Zhang, Wenhui; Wu, Qingquan; Oliver, Allen G.; Serianni, Anthony S.","Conformational analysis of the disaccharide methyl α-D-mannopyranosyl-(1→3)-2-O-acetyl-β-D-mannopyranoside monohydrate","Acta Crystallographica Section C Structural Chemistry","2019","75","6","","","10.1107/S2053229619004728","","","1.54184","CuKα","","0.0217","0.0217","","","0.0576","0.0576","","","","","","1.06","","","","has coordinates,has Fobs","215170","2020-10-21","18:00:00",""
"2021619","10.2769","0.0007","12.2445","0.0007","20.0804","0.0013","90","","90","","90","","2526.8","0.3","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-{(<i>Z</i>)-2-{(<i>Z</i>)-[(1a<i>R</i>,5a<i>R</i>,9a<i>S</i>)-1,1-dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-ylidene]hydrazono}-4-oxothiazolidin-3-yl)acetate","","- C23 H31 Cl2 N3 O3 S -","- C23 H31 Cl2 N3 O3 S -","- C92 H124 Cl8 N12 O12 S4 -","4","1","YO3060","Bimoussa, Abdoullah; Koumya, Yassine; Abouelfida, Abdesselam; Ait Itto, Moulay Youssef; Benyaich, Abdelaziz; Mentre, Olivier; Ketatni, El Mostafa; Auhmani, Aziz; Auhmani, Abdelwahed","Hemisynthesis, crystal structure and inhibitory effect of sesquiterpenic thiosemicarbazones and thiazolidin-4-ones on the corrosion behaviour of stainless steel in 1<i>M</i> H~2~SO~4~ solution","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005631","","","0.71073","MoKα","","0.0633","0.0381","","","0.0796","0.0886","","","","","","1.03","","","","has coordinates,has disorder","215171","2020-10-21","18:00:00",""
"2021620","9.592","0.0006","13.4325","0.0007","14.2186","0.0008","90","","103.29","0.002","90","","1782.93","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>RS</i>)-13-ethyl-2-fluoro-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate","","- C22 H20 F N O3 -","- C22 H20 F N O3 -","- C88 H80 F4 N4 O12 -","4","1","YF3175","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and efficient concurrent synthesis of 6,11-dihydrodibenzo[<i>b</i>,<i>e</i>]azepines and 5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines and their conversion to 4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylates and <i>N</i>-acetyl-5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines: synthetic sequence, spectroscopic characterization and the structures of two products","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005746","","","0.71073","MoKα","","0.0487","0.0399","","","0.1024","0.1115","","","","","","1.062","","","","has coordinates,has Fobs","215190","2020-10-21","18:00:00",""
"2021621","8.333","0.005","20.8","0.014","9.186","0.006","90","","107.857","0.017","90","","1515.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-5-Acetyl-2-chloro-11-methyl-5,6,11,12-tetrahydrobenzo[<i>b</i>,<i>f</i>]azocine","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","1","YF3175","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise and efficient concurrent synthesis of 6,11-dihydrodibenzo[<i>b</i>,<i>e</i>]azepines and 5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines and their conversion to 4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylates and <i>N</i>-acetyl-5,6,11,12-tetrahydrodibenzo[<i>b</i>,<i>f</i>]azocines: synthetic sequence, spectroscopic characterization and the structures of two products","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005746","","","0.71073","MoKα","","0.0458","0.0382","","","0.0909","0.0953","","","","","","1.066","","","","has coordinates,has Fobs","215190","2020-10-21","18:00:00",""
"2021622","8.5888","0.0017","11.372","0.002","11.66","0.002","64.87","0.03","73.1","0.03","80.71","0.03","985.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[di-μ-chlorido-bis[(2-carboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium(II)]]-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ^2^<i>N</i>:<i>N</i>'}] dihydrate]","","- C19 H17 Cd Cl N4 O5 -","- C19 H15 Cd Cl N4 O4 -","- C38 H30 Cd2 Cl2 N8 O8 -","2","1","LG3237","Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia","Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005758","","","0.71073","MoKα","","0.0446","0.0378","","","0.0712","0.0746","","","","","","1.06","","","","has coordinates,has Fobs","215191","2020-10-21","18:00:00",""
"2021623","8.9624","0.0018","10.256","0.002","13.07","0.003","96.13","0.03","106.88","0.03","113.57","0.03","1019.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ~2~-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ^2^<i>N</i>:<i>N</i>'}cadmium(II)] dihydrate]","","- C19 H20 Cd N4 O7 -","- C19 H20 Cd N4 O7 -","- C38 H40 Cd2 N8 O14 -","2","1","LG3237","Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia","Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005758","","","0.71073","MoKα","","0.0363","0.032","","","0.0641","0.0663","","","","","","1.077","","","","has coordinates,has Fobs","215191","2020-10-21","18:00:00",""
"2021624","7.7005","0.0004","9.2774","0.0005","12.6853","0.0006","90","","90","","90","","906.25","0.08","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Hydroxy-1,4-diazepane-1,4-diium dibromide","","- C5 H14 Br2 N2 O -","- C5 H14 Br2 N2 O -","- C20 H56 Br8 N8 O4 -","4","1","KU3242","Piontek, Mateusz; Morgenstern, Bernd; Steinbrück, Nils; Oberhausen, Bastian; Kickelbick, Guido; Hegetschweiler, Kaspar","HBr or not HBr? That is the question: crystal structure of 6-hydroxy-1,4-diazepane-1,4-diium dibromide redetermined","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005321","","","0.71073","MoKα","","0.0483","0.0372","","","0.0594","0.0632","","","","","","0.932","","","","has coordinates,has Fobs","215244","2020-10-21","18:00:00",""
"2021625","10.27","0.0008","11.9701","0.0009","12.5459","0.0011","90.821","0.001","91.089","0.001","92.278","0.002","1540.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua[μ-1,2-bis(pyridin-4-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']{μ-5-[(2-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^}nickel(II)] dimethylformamide hemisolvate monohydrate]","","- C29.5 H27.5 N2.5 Ni O9.5 -","- C29.5 H27.5 N2.5 Ni O9.5 -","- C59 H55 N5 Ni2 O19 -","2","1","FN3301","Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen","Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005850","","","0.71073","MoKα","","0.1036","0.0792","","","0.2162","0.2338","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","215245","2020-10-21","18:00:00",""
"2021626","11.503","0.0009","16.4391","0.0014","20.5549","0.0018","90","","101.816","0.002","90","","3804.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquatris[μ-1,2-bis(pyridin-4-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']bis{μ-5-[(2-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^5^}nickel(II)] dimethylformamide disolvate hexahydrate]","","- C74 H80 N8 Ni2 O24 -","- C74 H80 N8 Ni2 O24 -","- C148 H160 N16 Ni4 O48 -","2","0.5","FN3301","Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen","Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005850","","","0.71073","MoKα","","0.0732","0.0455","","","0.1085","0.1237","","","","","","1.04","","","","has coordinates,has Fobs","215245","2020-10-21","18:00:00",""
"2021627","13.1146","0.0006","14.8676","0.0007","22.4297","0.001","87.244","0.002","80.719","0.002","68.535","0.002","4016.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(Thiophen-2-yl)-1,3-benzothiazole","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","8","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.0885","0.0615","","","0.1725","0.1935","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021628","13.0549","0.0006","15.6867","0.0008","20.0965","0.001","90","","100.315","0.002","90","","4049","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Thiophen-2-yl)-1,3-benzothiazole","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","4","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.1479","0.1274","","","0.3139","0.3465","","","","","","1.525","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021629","12.5339","0.0003","13.5178","0.0004","14.4107","0.0004","117.741","0.002","92.687","0.002","106.548","0.002","2024.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(Thiophen-2-yl)-1,3-benzothiazole","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C88 H56 N8 S16 -","8","4","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.1998","0.0644","","","0.1645","0.2067","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021630","15.4853","0.0005","32.7646","0.0009","16.8635","0.0004","90","","101.633","0.002","90","","8380.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trisodium bis(carboxymethoxy)bis(carboxylatomethoxy)calix[4]arene tris(carboxymethoxy)(carboxylatomethoxy)calix[4]arene‒2-(thiophen-2-yl)-1,3-benzothiazole‒dimethyl sulfoxide‒water (1/1/2/2)","","- C87 H84 N Na3 O28 S4 -","- C87 H84 N Na3 O28 S4 -","- C348 H336 N4 Na12 O112 S16 -","4","1","QS3080","Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T.","Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-<i>Z</i>' packing polymorphism and cocrystallization with calix[4]tube","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005886","","","1.54178","CuKα","","0.2791","0.1011","","","0.256","0.3596","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","215246","2020-10-21","18:00:00",""
"2021631","12.901","0.0015","20.055","0.003","8.7001","0.0013","90","","123.161","0.007","90","","1884.4","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>RS</i>)-(<i>E</i>)-4-[2-(4-Chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N5 -","- C21 H20 Cl N5 -","- C84 H80 Cl4 N20 -","4","1","OV3128","Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher","Monoclinic and orthorhombic forms of (<i>RS</i>)-(<i>E</i>)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S205322961900617X","","","1.54178","CuKα","","0.0504","0.0415","","","0.0973","0.1047","","","","","","1.045","","","","has coordinates,has Fobs","215300","2020-10-21","18:00:00",""
"2021632","8.8623","0.0004","14.4656","0.0007","14.2723","0.0007","90","","90","","90","","1829.69","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>RS</i>)-(<i>E</i>)-4-[2-(4-Chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N5 -","- C21 H20 Cl N5 -","- C84 H80 Cl4 N20 -","4","1","OV3128","Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher","Monoclinic and orthorhombic forms of (<i>RS</i>)-(<i>E</i>)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S205322961900617X","","","1.54178","CuKα","","0.0476","0.0371","","","0.0836","0.0889","","","","","","1.056","","","","has coordinates,has Fobs","215300","2020-10-21","18:00:00",""
"2021633","30.184","0.003","5.8907","0.0005","7.7144","0.0006","90","","98.04","0.005","90","","1358.2","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one","","- C17 H12 F2 O -","- C17 H12 F2 O -","- C68 H48 F8 O4 -","4","0.5","OV3125","Ferreira, Lívia O. A.; Valdo, Ana Karoline S. M.; Nascimento Neto, José Antônio; Ribeiro, Leandro; da Silva, Jefferson R. D.; Queiroz Jr., Luiz H. K.; Perez, Caridad N.; Martins, Felipe T.","ss-NMR and single-crystal X-ray diffraction in the elucidation of a new polymorph of bischalcone (1<i>E</i>,4<i>E</i>)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006156","","","1.54178","CuKα","","0.0606","0.0445","","","0.1166","0.1287","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","215301","2020-10-21","18:00:00",""
"2021634","15.3886","0.0004","15.9246","0.0004","20.2111","0.0005","97.8276","0.0013","105.173","0.0013","90.3499","0.0013","4731.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Fe(TPP)pyrNO]SbF6","(Pyridine <i>N</i>-oxide-κ<i>O</i>)(5,10,15,20-tetraphenylporphinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')iron(III) hexafluoroantimonate(V) dichloromethane disolvate","","- C51 H37 Cl4 F6 Fe N5 O Sb -","- C51 H37 Cl4 F6 Fe N5 O Sb -","- C204 H148 Cl16 F24 Fe4 N20 O4 Sb4 -","4","2","FN3305","Short, Melanie A.; Sommer, Roger D.; Falzone, Alec J.; Huang, Tao; Weare, Walter W.; Roizen, Jennifer L.","A five-coordinate iron(III) porphyrin complex including a neutral axial pyridine <i>N</i>-oxide ligand","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005849","","","0.71073","MoKα","","0.055","0.0361","","","0.0829","0.0915","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","215345","2020-10-21","18:00:00",""
"2021635","16.6652","0.0012","6.6975","0.0003","18.6763","0.0012","90","","105.963","0.007","90","","2004.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-4-nitrophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^] trihydrate]","","- C20 H17 Cu N3 O9 -","- C20 H17 Cu N3 O9 -","- C80 H68 Cu4 N12 O36 -","4","1","OV3127","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Understanding metal‒ligand interactions in coordination polymers using Hirshfeld surface analysis","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005874","","","0.71073","MoKα","","0.0847","0.0513","","","","0.1246","","","","","","1.035","","","","has coordinates,has Fobs","215346","2020-10-21","18:00:00",""
"2021636","11.9021","0.0019","12.68","0.002","14.867","0.002","98.597","0.002","99.6","0.002","102.882","0.002","2115.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium diaquabis(μ~2~-pyridine-2,6-dicarboxylato)tetrakis(pyridine-2,6-dicarboxylato)bis[4-(pyridin-4-yl)pyridinium]cobalt(II)dieuropium(III) octahydrate","","- C72 H82 Co Eu2 N12 O42 -","- C72 H82 Co Eu2 N12 O42 -","- C72 H82 Co Eu2 N12 O42 -","1","0.5","LF3091","Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin","Synthesis and characterization of two isostructural 3<i>d</i>‒4<i>f</i> coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006004","","","0.71073","MoKα","","0.0278","0.0259","","","0.0741","0.0754","","","","","","1.081","","","","has coordinates,has Fobs","215347","2020-10-21","18:00:00",""
"2021637","11.8977","0.0006","12.649","0.0006","14.8487","0.0008","98.518","0.001","99.901","0.001","102.715","0.001","2106.78","0.19","296","2","296.02","","","","","","","","","6","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium diaquabis(μ~2~-pyridine-2,6-dicarboxylato)tetrakis(pyridine-2,6-dicarboxylato)bis[4-(pyridin-4-yl)pyridinium]cobalt(II)diterbium(III) octahydrate","","- C72 H82 Co N12 O42 Tb2 -","- C72 H82 Co N12 O42 Tb2 -","- C72 H82 Co N12 O42 Tb2 -","1","0.5","LF3091","Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin","Synthesis and characterization of two isostructural 3<i>d</i>‒4<i>f</i> coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006004","","x-ray","0.71073","MoKα","","0.0281","0.0261","","","0.0708","0.0722","","","","","","1.054","","","","has coordinates,has Fobs","215347","2020-10-21","18:00:00",""
"2021638","9.0318","0.0005","9.0318","0.0005","32.6499","0.0013","90","","90","","120","","2306.5","0.2","293","","293","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Octadecalanthanum decatungsten heptapentacontaoxide","","- La18 O57 W10 -","- La18 O57 W10 -","- La36 O114 W20 -","2","0.166667","SK3724","Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I.","Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006107","","x-ray","0.71069","MoKα","","0.024","0.0237","","","0.0333","0.0334","","","","2.09","2.09","2.09","","","","has coordinates,has Fobs","215391","2020-10-21","18:00:00",""
"2021639","9.0363","0.0003","9.0363","0.0003","27.3412","0.0003","90","","90","","120","","1933.43","0.09","293","0.1","293","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- La15 O48 W8.5 -","- La15 O48 W8.499 -","- La30 O96 W16.998 -","2","0.333333","SK3724","Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I.","Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006107","","x-ray","0.71073","MoKα","","0.0766","0.0694","","","0.0669","0.0694","","","","1.98","1.98","1.95","","","","has coordinates,has Fobs","215391","2020-10-21","18:00:00",""
"2021640","11.2687","0.0006","8.369","0.0005","8.9974","0.0005","90","","95.724","0.005","90","","844.29","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1-Azabicyclo[2.2.2]oct-3-ylidene)hydrazine monohydrate","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C28 H60 N12 O4 -","4","1","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.0537","0.0394","","","0.0915","0.0971","","","","","","1.045","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021641","19.7143","0.0013","6.6047","0.0004","9.9924","0.0006","90","","90","","90","","1301.08","0.14","288","2","288","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","1,2-Bis(1-azabicyclo[2.2.2]oct-3-ylidene)hydrazine","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","0.5","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.056","0.0411","","","0.1049","0.112","","","","","","1.072","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021642","6.1699","0.0003","12.5258","0.0007","10.657","0.0005","90","","103.023","0.005","90","","802.42","0.07","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1,2-Bis(1-azoniabicyclo[2.2.2]oct-3-ylidene)hydrazine dichloride","","- C14 H24 Cl2 N4 -","- C14 H24 Cl2 N4 -","- C28 H48 Cl4 N8 -","2","1","QS3081","Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong","Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005898","","","0.71073","MoKα","","0.0431","0.0378","","","0.0925","0.0967","","","","","","0.997","","","","has coordinates,has Fobs","215392","2020-10-21","18:00:00",""
"2021643","9.7632","0.0005","10.8846","0.0005","18.5771","0.0009","99.687","0.001","91.504","0.001","93.472","0.001","1941.11","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","{1,3-Bis[(diphenylphosphanyl)methyl]hexahydropyrimidin-2-yl-κ<i>N</i>^2^}(2,6-dimethylphenyl isocyanide-κ<i>C</i>)nickel(II) hexafluoridophosphate 0.70-hydrate","","- C39 H40.41 Cl F6 N3 Ni O0.7 P3 -","- C39 H40.404 Cl F6 N3 Ni O0.702 P3 -","- C78 H80.808 Cl2 F12 N6 Ni2 O1.404 P6 -","2","1","KY3175","Subramaniyan, Vasudevan; Kumar, Ashok; Govindaraj, Anbarasu; Mani, Ganesan","Crystal structure and DFT analyses of a pentacoordinated PCP pincer nickel(II) complex","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006211","","","0.71073","MoKα","","0.0352","0.0299","","","0.0714","0.0753","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","215393","2020-10-21","18:00:00",""
"2021644","27.4361","0.0019","9.0861","0.0009","40.473","0.002","90","","108.581","0.007","90","","9563.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[hemi-μ-aqua-aqua(μ~3~-4,4'-{9,9'-spirobi[10<i>H</i>-\ acridine]-10,10'-diyl}dibenzoato)cadmium(II)]","","- C39 H27 Cd N2 O5.5 -","- C39 H27 Cd N2 O5.5 -","- C312 H216 Cd8 N16 O44 -","8","1","YP3184","Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin","Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006119","","x-ray","1.54184","CuKα","","0.0855","0.0671","","","0.198","0.2269","","","","","","1.118","","","","has coordinates,has Fobs","215468","2020-10-21","18:00:00",""
"2021645","12.6717","0.001","13.0727","0.0009","13.9254","0.0011","65.029","0.007","75.294","0.007","68.42","0.007","1931.2","0.3","293.86","0.1","293.86","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-{9,9'-Spirobi[10<i>H</i>-acridine]-10,10'-diyl}dibenzoic acid","","- C39 H26 N2 O4 -","- C39 H26 N2 O4 -","- C78 H52 N4 O8 -","2","1","YP3184","Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin","Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006119","","x-ray","1.54184","CuKα","","0.0821","0.0569","","","0.1852","0.1997","","","","","","1.096","","","","has coordinates,has Fobs","215468","2020-10-21","18:00:00",""
"2021646","10.3034","0.0004","11.4856","0.0004","14.4725","0.0005","81.013","0.002","69.861","0.002","69.99","0.002","1509.47","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","2","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0841","0.0422","","","0.0893","0.1122","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","215469","2020-10-21","18:00:00",""
"2021647","14.1163","0.0009","11.7268","0.0007","9.3982","0.0005","90","","94.259","0.003","90","","1551.47","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-(4-nitrophenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H13 N3 O4 -","- C17 H13 N3 O4 -","- C68 H52 N12 O16 -","4","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.09","0.0434","","","0.0947","0.1213","","","","","","1.007","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021648","7.7302","0.0006","17.255","0.0016","13.1989","0.0011","90","","106.079","0.002","90","","1691.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-5-(naphthalen-2-yloxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0905","0.0474","","","0.1043","0.1297","","","","","","1.031","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021649","8.9432","0.0007","16.0546","0.0014","10.1155","0.0008","90","","97.777","0.002","90","","1439","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-1-phenyl-5-(piperidin-1-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0916","0.0466","","","0.1117","0.1405","","","","","","1.047","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021650","10.8804","0.0004","11.3363","0.0004","11.5737","0.0004","97.294","0.002","90.05","0.002","117.84","0.002","1249.15","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(3<i>RS</i>)-2-Acetyl-5-(4-azidophenyl)-5'-(2-chlorophenoxy)-3'-methyl-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]","","- C27 H22 Cl N7 O2 -","- C27 H22 Cl N7 O2 -","- C54 H44 Cl2 N14 O4 -","2","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.0866","0.0445","","","0.1008","0.1257","","","","","","1.006","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021651","10.4911","0.0011","11.2048","0.0012","13.5943","0.0017","105.323","0.003","93.505","0.003","117.46","0.003","1335.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(3<i>RS</i>)-2-Acetyl-5-(4-azidophenyl)-3'-methyl-5'-(naphthalen-2-yloxy)-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]","","- C31 H25 N7 O2 -","- C31 H25 N7 O2 -","- C62 H50 N14 O4 -","2","1","KY3177","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006752","","","0.71073","MoKα","","0.119","0.0547","","","0.1379","0.1776","","","","","","1.014","","","","has coordinates,has Fobs","215469","2020-10-21","18:00:00",""
"2021652","7.6172","0.001","6.0317","0.0008","27.401","0.004","90","","90.533","0.004","90","","1258.9","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>S</i>)-2-(3-Benzoylphenyl)propanoic acid]","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","2","KY3174","Rossi, Patrizia; Paoli, Paola; Ienco, Andrea; Biagi, Diletta; Valleri, Maurizio; Conti, Luca","A new crystal form of the NSAID dexketoprofen","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006533","","","1.54178","CuKα","","0.04","0.0393","","","0.1036","0.1051","","","","","","1.058","","","","has coordinates,has Fobs","215586","2020-10-21","18:00:00",""
"2021653","6.8415","0.0007","10.8931","0.0012","20.163","0.002","74.965","0.009","83.815","0.009","72.183","0.01","1381","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","2","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.1134","0.0577","","","0.1116","0.136","","","","","","0.966","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021654","6.8355","0.0011","19.512","0.003","10.881","0.002","90","","107.811","0.019","90","","1381.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","2","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.1615","0.0928","","","0.2173","0.2633","","","","","","1.006","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021655","13.0369","0.0008","13.0804","0.0007","16.2223","0.0008","90","","90","","90","","2766.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C136 H88 N24 O16 -","8","1","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.0778","0.0532","","","0.1481","0.1697","","","","","","1.067","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021656","15.9167","0.0002","15.9167","0.0002","21.5498","0.0009","90","","90","","90","","5459.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Poly[[bis{μ~3~-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate]","","- C54 H48 Cd Cl2 N12 O9.5 -","- C54 H48 Cd Cl2 N12 O9.5 -","- C216 H192 Cd4 Cl8 N48 O38 -","4","0.5","UK3178","Wang, Jia; You, Tianchao; Wang, Teng; Liu, Qikui; Ma, Jianping; Jin, Guoxia","Adsorption behaviour of a CdII‒triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions","Acta Crystallographica Section C Structural Chemistry","2019","75","6","806","","10.1107/S2053229619006788","","x-ray","1.54184","CuKα","","0.0579","0.0532","","","0.1452","0.1515","","","","","","1.072","","","","has coordinates,has Fobs","215628","2020-10-21","18:00:00",""
"2021657","8.317","0.002","12.657","0.002","16.763","0.003","90","","90","","90","","1764.6","0.6","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Diphenylphosphoryl)-2-methoxybenzamide","","- C20 H18 N O3 P -","- C20 H18 N O3 P -","- C80 H72 N4 O12 P4 -","4","1","LH5904","Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.","Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide","Acta Crystallographica Section E Crystallographic Communications","2019","75","7","939","","10.1107/S205698901900762X","","x-ray","0.71073","MoKα","","0.0614","0.0434","","","0.1046","0.1129","","","","","","1.11","","","","has coordinates,has Fobs","215710","2020-10-21","18:00:00",""
"2021658","8.6877","0.0002","15.179","0.0003","20.9944","0.0004","90","","93.6833","0.0006","90","","2762.83","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']zinc(II)] dimethylformamide monosolvate]","","- C24 H23 Br3 N4 O5 Zn -","- C24 H23 Br3 N4 O5 Zn -","- C96 H92 Br12 N16 O20 Zn4 -","4","1","YF3173","Xu, Jie; Zhang, Kou-Lin","Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands","Acta Crystallographica Section C Structural Chemistry","2019","75","7","","","10.1107/S2053229619007435","","","0.71073","MoKα","","0.0704","0.0365","","","0.0736","0.0837","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","215810","2020-10-21","18:00:00",""
"2021659","8.5083","0.0005","13.8444","0.001","22.496","0.0012","90","","90","","90","","2649.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)diaqua[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)oxalamide-κ^2^<i>N</i>:<i>N</i>']zinc(II)] monohydrate]","","- C22 H22 Br3 N5 O9 Zn -","- C22 H22 Br3 N5 O9 Zn -","- C88 H88 Br12 N20 O36 Zn4 -","4","1","YF3173","Xu, Jie; Zhang, Kou-Lin","Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands","Acta Crystallographica Section C Structural Chemistry","2019","75","7","","","10.1107/S2053229619007435","","","0.71073","MoKα","","0.1097","0.0457","","","0.0688","0.0788","","","","","","0.996","","","","has coordinates,has Fobs","215810","2020-10-21","18:00:00",""
"2021660","13.2027","0.0007","13.2027","0.0007","18.3116","0.0012","90","","90","","120","","2764.3","0.3","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","Poly[hexakis[μ~4~-(2-carboxylatophenyl)sulfanido]di-μ~3~-chlorido-tri-μ~2~-hydroxido-octanickel(II)sodium(I)]","","- C42 H27 Cl2 Na Ni8 O15 S6 -","- C42 H27 Cl2 Na Ni8 O15 S6 -","- C84 H54 Cl4 Na2 Ni16 O30 S12 -","2","0.166667","YP3179","Zhu, Jingyan; Yan, Shan; Xiao, Hongping; Jiang, Jun; Li, Xinhua","Nickel(II) cluster-based mixed-cation coordination polymer synthesized from 2-mercaptobenzoic acid and its application","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007368","","","0.71073","MoKα","","0.0767","0.0683","","","0.2054","0.2134","","","","","","1.021","","","","has coordinates,has Fobs","215865","2020-10-21","18:00:00",""
"2021661","17.495","0.0011","6.9483","0.0004","18.1452","0.0012","90","","114.447","0.001","90","","2008","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tripotassium pentaeuropium hexaphosphate","","- Eu5 K3 O24 P6 -","- Eu5 K3 O24 P6 -","- Eu20 K12 O96 P24 -","4","0.5","YP3185","Xue, Ya-Li; Zhang, Ai-Yun; Han, Xiao-Yang; Cui, Xiao-Qi; Deng, Ling; Zhou, Yi-Xiang; Yu, Ya-Ping; Zhao, Dan","K~3~Eu~5~(PO~4~)~6~: hydrothermal synthesis, crystal structure and photoluminescence properties","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007794","","","0.71073","MoKα","","0.0321","0.0256","","","0.0588","0.062","","","","","","1.014","","","","has coordinates,has Fobs","215866","2020-10-21","18:00:00",""
"2021662","28.6467","0.0006","5.6358","0.0001","15.1374","0.0003","90","","103.896","0.001","90","","2372.36","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-5-(pyridin-2-yl)-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C104 H80 N32 S8 -","8","2","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0685","0.0419","","","0.0868","0.0951","","","","","","1.064","","","","has coordinates,has Fobs","215867","2020-10-21","18:00:00",""
"2021663","5.5945","0.0004","18.9451","0.0012","14.2664","0.0009","90","","90.247","0.002","90","","1512.06","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C64 H56 N16 O8 S4 -","4","1","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0708","0.0426","","","0.0896","0.1025","","","","","","1.014","","","","has coordinates,has Fobs","215867","2020-10-21","18:00:00",""
"2021664","11.498","0.0003","13.7848","0.0004","15.0417","0.0004","90","","93.466","0.0014","90","","2379.71","0.11","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(methanol-κ<i>O</i>)bis(methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl-κ</i>^2^<i>N</i>^1^,<i>N</i>^5^]sulfanyl}acetato)zinc(II)/cadmium(II) hexabromidocadmiate(II)","","- C34 H36 Br6 Cd2.24 N8 O6 S2 Zn0.76 -","- C34 H36 Br6 Cd2.242 N8 O6 S2 Zn0.758 -","- C68 H72 Br12 Cd4.484 N16 O12 S4 Zn1.516 -","2","0.5","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0732","0.0391","","","0.0748","0.0856","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","215867","2020-10-21","18:00:00",""
"2021665","8.5198","0.0003","9.4709","0.0003","13.9682","0.0007","105.05","0.003","95.083","0.003","115.081","0.002","960.04","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido(methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl-κ</i>^2^<i>N</i>^1^,<i>N</i>^5^]sulfanyl}acetato)mercury(II)","","- C16 H14 Cl2 Hg N4 O2 S -","- C16 H14 Cl2 Hg N4 O2 S -","- C32 H28 Cl4 Hg2 N8 O4 S2 -","2","1","LG3239","Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel","Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900682X","","","0.71073","MoKα","","0.0352","0.0279","","","0.0576","0.0598","","","","","","1.04","","","","has coordinates,has Fobs","215867","2020-10-21","18:00:00",""
"2021666","6.436","0.0004","7.9058","0.0004","8.3495","0.0005","104.055","0.001","90.956","0.002","96.2","0.002","409.3","0.04","296","2","296","","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqualead(II)]-μ-croconato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^] monohydrate]","","- C5 H6 O8 Pb -","- C5 H6 O8 Pb -","- C10 H12 O16 Pb2 -","2","1","YF3176","Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007277","","","0.71073","MoKα","","0.019","0.0171","","","0.0416","0.0422","","","","","","1.219","","","","has coordinates,has Fobs","216000","2020-10-21","18:00:00",""
"2021667","6.5123","0.0003","8.8174","0.0004","13.8763","0.0006","90","","96.053","0.001","90","","792.36","0.06","298","2","297.96","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[triaquacadmium(II)]-μ-croconato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^]","","- C5 H6 Cd O8 -","- C5 H6 Cd O8 -","- C20 H24 Cd4 O32 -","4","1","YF3176","Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007277","","","0.71073","MoKα","","0.0166","0.0146","","","0.0365","0.0381","","","","","","1.127","","","","has coordinates,has Fobs","216000","2020-10-21","18:00:00",""
"2021668","7.8491","0.0005","7.8762","0.0006","12.3391","0.0008","100.236","0.002","94.225","0.002","101.865","0.002","729.81","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^-bis({6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II))","","- C26 H24 Cu2 N16 O2 -","- C26 H24 Cu2 N16 O2 -","- C26 H24 Cu2 N16 O2 -","1","0.5","YP3182","Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie","Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008040","","","0.71073","MoKα","","0.0635","0.0389","","","0.0779","0.0859","","","","","","1.033","","","","has coordinates,has Fobs","216001","2020-10-21","18:00:00",""
"2021669","11.9385","0.0006","9.7023","0.0004","22.5975","0.001","90","","90","","90","","2617.5","0.2","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)","","- C26 H24 N10 Ni O2 -","- C26 H24 N10 Ni O2 -","- C104 H96 N40 Ni4 O8 -","4","0.5","YP3182","Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie","Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008040","","","0.71073","MoKα","","0.0654","0.0449","","","0.1153","0.1237","","","","","","1.05","","","","has coordinates,has Fobs","216001","2020-10-21","18:00:00",""
"2021670","13.1586","0.0005","13.1881","0.0006","23.6681","0.0012","84.996","0.002","88.444","0.002","67.5","0.002","3780.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(Cyclohexane-1,1-diyl)bis[<i>N</i>,<i>N</i>-bis(4-methoxyphenyl)aniline]","","- C46 H46 N2 O4 -","- C46 H46 N2 O4 -","- C184 H184 N8 O16 -","4","2","QP3026","Lee, Sunhee; Kwak, Soyoung; Lee, Keumhee; Kim, Byung Gi; Kim, Minseong; Wang, Dong Hwan; Han, Won-Sik","Tuning the energy level of TAPC: crystal structure and photophysical and electrochemical properties of 4,4'-(cyclohexane-1,1-diyl)bis[<i>N</i>,<i>N</i>-bis(4-methoxyphenyl)aniline]","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007101","","","0.71073","MoKα","","0.1417","0.0698","","","0.1051","0.1238","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","216002","2020-10-21","18:00:00",""
"2021671","5.0044","0.0003","38.6364","0.0014","7.6007","0.0004","90","","106.2","0.005","90","","1411.26","0.13","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","αβ-<i>D</i>-Lactose","αβ-<i>D</i>-Lactose","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","2","KY3180","Nicholls, Daniel; Elleman, Carole; Shankland, Norman; Shankland, Kenneth","A new crystalline form of αβ-<small>D</small>-lactose prepared by oven drying a concentrated aqueous solution of <small>D</small>-lactose","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008210","","x-ray","1.54184","CuKα","","0.0576","0.0475","","","0.1149","0.1198","","","","","","1.015","","","","has coordinates,has Fobs","216003","2020-10-21","18:00:00",""
"2021672","10.1029","0.0004","15.9363","0.0005","19.3855","0.0008","90","","100.64","0.004","90","","3067.5","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2-diisopropylaminoethyl)benzimidazol-2-ylidene-κ<i>C</i>^2^]dichlorido(pyridine-κ<i>N</i>)palladium(II)","","- C28 H45 Cl2 N5 Pd -","- C28 H45 Cl2 N5 Pd -","- C112 H180 Cl8 N20 Pd4 -","4","1","FN3308","Karabıyık, Hande; Yiğit, Beyhan; Yiğit, Murat; Özdemir, İsmail; Karabıyık, Hasan","Enhanced π-back-donation resulting in the <i>trans</i> labilization of a pyridine ligand in an N-heterocyclic carbene (NHC) Pd^II^ precatalyst: a case study","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619007745","","","0.71073","MoKα","","0.0475","0.0324","","","0.0673","0.074","","","","","","1.015","","","","has coordinates,has Fobs","216004","2020-10-21","18:00:00",""
"2021681","7.1296","0.0002","6.9197","0.0003","30.0061","0.0011","90","","91.066","0.003","90","","1480.09","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido[(2-hydroxyethyl)({2-[(pyridin-2-ylmethylidene)amino]ethyl})azanium]copper(II) monohydrate","","- C10 H18 Cl3 Cu N3 O2 -","- C10 H18 Cl3 Cu N3 O2 -","- C40 H72 Cl12 Cu4 N12 O8 -","4","1","FN3313","Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian","Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008258","","","0.71073","MoKα","","0.0719","0.0677","","","0.1443","0.1459","","","","","","1.379","","","","has coordinates,has Fobs","216136","2020-10-21","18:00:00",""
"2021682","14.0924","0.0003","7.7111","0.0002","15.5819","0.0004","90","","90.317","0.003","90","","1693.23","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[2-(pyridin-2-yl)oxazolidin-3-yl]-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine}cadmium(II)","","- C16 H18 Cd Cl2 N4 O -","- C16 H18 Cd Cl2 N4 O -","- C64 H72 Cd4 Cl8 N16 O4 -","4","1","FN3313","Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian","Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008258","","","0.71073","MoKα","","0.032","0.0255","","","0.0511","0.0542","","","","","","1.04","","","","has coordinates,has Fobs","216136","2020-10-21","18:00:00",""
"2021683","16.535","0.0004","16.535","0.0004","18.1127","0.0004","90","","90","","90","","4952.1","0.2","296","2","296.15","","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Tetrakis[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)formamidinato]digold(I)disilver(I)","","- C22 H18 Ag Au N8 -","- C22 H18 Ag Au N8 -","- C176 H144 Ag8 Au8 N64 -","8","1","QS3083","Hsu, Wayne","Luminescence properties and optimized structural conformations of the S~0~, S~1~ and T~1~ states of a tetranuclear formamidinate complex based on Au^I^ and Ag^I^ metal ions","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008581","","","0.71073","MoKα","","0.041","0.0324","","","0.0771","0.0802","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216511","2020-10-21","18:00:00",""
"2021684","11.502","0.007","20.059","0.013","13.735","0.009","90","","101.716","0.019","90","","3103","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[μ-4,4'-bis(2-methylimidazol-1-yl)diphenyl ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-4,4'-sulfonyldibenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C34 H26 N4 O7 S Zn -","- C34 H26 N4 O7 S Zn -","- C136 H104 N16 O28 S4 Zn4 -","4","1","SK3727","Pan, Chen-Dong; Wang, Jun; Xu, Ju-Qin; Zhang, Kang-Feng; Wang, Xiao-Wan","A threefold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and selective luminescence sensing properties","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008635","","","0.71073","MoKα","","0.0868","0.0474","","","0.087","0.0948","","","","","","1.028","","","","has coordinates","216512","2020-10-21","18:00:00",""
"2021685","9.506","0.002","22.483","0.004","10.684","0.004","90","","111.37","0.04","90","","2126.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-4,4'-bipyridine)(μ~3~-3,4'-oxydibenzoato)cobalt(II)]","","- C24 H16 Co N2 O5 -","- C24 H16 Co N2 O5 -","- C96 H64 Co4 N8 O20 -","4","1","LF3097","Lan, Wenlong; Zhou, Zhen; Jia, Fu-Chao; Hao, Xiaoyun; Dou, Yong; Yang, Lu; Liu, Hui; Liu, Qingyun; Zhang, Daopeng","A new three-dimensional cobalt(II) coordination polymer based on V-shaped 3,4'-oxydibenzoate: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008337","","","0.71073","MoKα","","0.1032","0.0576","","","0.1265","0.1615","","","","","","1.046","","","","has coordinates,has Fobs","216558","2020-10-21","18:00:00",""
"2021686","19.0555","0.0006","12.384","0.0005","17.8388","0.0007","90","","90","","90","","4209.7","0.3","193","2","193","","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2-Bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol","","- C24 H26 N4 O -","- C24 H26 N4 O -","- C192 H208 N32 O8 -","8","1","FN3307","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008362","","","0.71073","MoKα","","0.0696","0.0452","","","0.0959","0.1139","","","","","","1.1","","","","has coordinates,has Fobs","216559","2020-10-21","18:00:00",""
"2021687","9.3157","0.0006","8.4063","0.0003","17.4678","0.001","90","","93.222","0.005","90","","1365.75","0.13","153","2","153","","","","","","","","","6","P 1 c 1","P -2yc","7","","<i>cis</i>-[2,2-Bis(3,5-dimethylpyrazolyl)-1,1-diphenylethanolato]chloridodioxidotungsten(VI) tetrahydrofuran monosolvate","","- C28 H33 Cl N4 O4 W -","- C28 H33 Cl N4 O4 W -","- C56 H66 Cl2 N8 O8 W2 -","2","1","FN3307","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008362","","","0.71073","MoKα","","0.0273","0.0238","","","0.0519","0.0545","","","","","","1.083","","","","has coordinates","216559","2020-10-21","18:00:00",""
"2021688","11.06","0.0006","17.1537","0.0009","11.7342","0.0005","90","","95.499","0.004","90","","2215.97","0.19","223","2","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~5~-benzene-1,3,5-tricarboxylato-κ^6^O^1^:O^1^':O^3^:O^3^:O^5^,O^5^'){μ~3~-1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}di-μ~3~-hydroxido-dicobalt(II)]","","- C21 H16 Co2 N6 O7 -","- C21 H16 Co2 N6 O7 -","- C84 H64 Co8 N24 O28 -","4","1","KY3169","Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long","Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900826X","","","0.71073","MoKα","","0.0714","0.0451","","","0.0928","0.1079","","","","","","1.074","","","","has coordinates","216595","2020-10-21","18:00:00",""
"2021689","10.9425","0.001","11.458","0.0009","11.6193","0.001","89.524","0.007","69.945","0.008","64.669","0.008","1220.4","0.2","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis{μ~3~-1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}tetra-μ~3~-hydroxido-tetracopper(II)] monohydrate]","","- C42 H38 Cu4 N12 O17 -","- C42 H38 Cu4 N12 O17 -","- C42 H38 Cu4 N12 O17 -","1","0.5","KY3169","Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long","Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands","Acta Crystallographica Section C","2019","75","7","","","10.1107/S205322961900826X","","","0.71073","MoKα","","0.0782","0.0533","","","0.1306","0.15","","","","","","1.038","","","","has coordinates,has disorder","216595","2020-10-21","18:00:00",""
"2021690","24.1578","0.0003","16.1342","0.0003","24.0155","0.0004","90","","90.4848","0.0012","90","","9360.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[hexathiocyanatotetrakis{μ~3~-2,4,6-trimethyl-1,3,5-tris[(triazol-1-yl)methyl]benzene}tricadmium(II)] 3.5-hydrate]","","- C78 H91 Cd3 N42 O3.5 S6 -","- C78 H91 Cd3 N42 O3.5 S6 -","- C312 H364 Cd12 N168 O14 S24 -","4","0.5","FN3312","Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen","Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008714","","x-ray","1.54184","CuKα","","0.0491","0.0397","","","0.105","0.1138","","","","","","1.026","","","","has coordinates,has Fobs","216610","2020-10-21","18:00:00",""
"2021691","23.8845","0.0004","16.222","0.0003","23.6679","0.0004","90","","90.502","0.001","90","","9169.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[hexathiocyanatotetrakis{μ~3~-2,4,6-trimethyl-1,3,5-tris[(triazol-1-yl)methyl]benzene}trizinc(II)] 3.5-hydrate]","","- C156 H182 N84 O7 S12 Zn6 -","- C78 H91 N42 O3.5 S6 Zn3 -","- C312 H364 N168 O14 S24 Zn12 -","4","0.5","FN3312","Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen","Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand","Acta Crystallographica Section C","2019","75","7","","","10.1107/S2053229619008714","","x-ray","1.54178","CuKα","","0.0582","0.0532","","","0.1452","0.1516","","","","","","1.064","","","","has coordinates,has Fobs","216610","2020-10-21","18:00:00",""
"2021692","6.914","0.0003","10.0641","0.0005","10.1532","0.0005","102.153","0.004","100.951","0.004","99.745","0.004","661.77","0.06","300.7","0.14","300.7","0.14","","","","","","","","5","P -1","-P 1","2","","2-(4-Nitrobenzenesulfonamido)benzoic acid","","- C13 H10 N2 O6 S -","- C13 H10 N2 O6 S -","- C26 H20 N4 O12 S2 -","2","1","QS3085","Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina","Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid","Acta Crystallographica Section C","2019","75","7","1011","1020","10.1107/S2053229619008593","","","0.71073","MoKα","","0.0486","0.0408","","","0.107","0.116","","","","","","1.061","","","","has coordinates,has Fobs","216640","2020-10-21","18:00:00",""
"2021693","19.9216","0.0007","5.2391","0.0002","13.086","0.0004","90","","91.864","0.003","90","","1365.08","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Ag N2 O6 S -","- C13 H9 Ag N2 O6 S -","- C52 H36 Ag4 N8 O24 S4 -","4","1","QS3085","Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina","Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid","Acta Crystallographica Section C","2019","75","7","1011","1020","10.1107/S2053229619008593","","","0.71073","MoKα","","0.057","0.0371","","","0.0728","0.0818","","","","","","1.073","","","","has coordinates,has Fobs","216640","2020-10-21","18:00:00",""
"2021694","15.737","0.008","8.526","0.004","7.761","0.004","90","","100.45","0.02","90","","1024","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium chloride","","- C8 H6 Cl F3 N2 O S -","- C8 H6 Cl F3 N2 O S -","- C32 H24 Cl4 F12 N8 O4 S4 -","4","1","XI2017","Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak","Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride","Acta Crystallographica Section E Crystallographic Communications","2019","75","8","1084","","10.1107/S2056989019009022","","","0.71073","MoKα","","0.1174","0.0623","","","0.1307","0.1568","","","","","","1.075","","","","has coordinates,has Fobs","216703","2020-10-21","18:00:00",""
"2021695","8.0824","0.0019","11.788","0.003","19.745","0.005","78.449","0.009","84.378","0.008","89.318","0.009","1834.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-(Trifluoromethoxy)-1,3-benzothiazol-2-amine","","- C8 H5 F3 N2 O S -","- C8 H5 F3 N2 O S -","- C64 H40 F24 N16 O8 S8 -","8","4","","Mondal, Pradip Kumar; T, Athulbabu; Rao, Varun; Chopra, Deepak","Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride","Acta Crystallographica Section E Crystallographic Communications","2019","75","8","1084","","10.1107/S2056989019009022","","","0.71073","MoKα","","0.1022","0.0564","","","0.113","0.1299","","","","","","1.025","","","","has coordinates,has Fobs","216703","2020-10-21","18:00:00",""
"2021696","13.9295","0.0007","17.8065","0.0009","7.1429","0.0004","90","","90","","90","","1771.69","0.16","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","1","UK3175","Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta","Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid","Acta Crystallographica Section C","2019","75","6","793","805","10.1107/S2053229619005990","","","0.71073","MoKα","","0.0325","0.0296","","","0.0776","0.0799","","","","","","1.001","","","","has coordinates,has Fobs","216712","2020-10-21","18:00:00",""
"2021697","4.9552","0.0003","10.8444","0.0006","22.7982","0.0011","90","","90","","90","","1225.09","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Kynurenic acid dimethyl sulfoxide monosolvate","4-Hydroxyquinoline-2-carboxylic acid dimethyl sulfoxide monosolvate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","UK3175","Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta","Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid","Acta Crystallographica Section C","2019","75","6","793","805","10.1107/S2053229619005990","","","0.71073","MoKα","","0.043","0.036","","","0.0808","0.0849","","","","","","1","","","","has coordinates,has Fobs","216712","2020-10-21","18:00:00",""
"2021698","9.0313","0.0005","10.2649","0.0006","14.3901","0.001","90","","92.35","0.008","90","","1332.92","0.14","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6-Bis(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-triazine","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","YP3186","Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald","Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand","Acta Crystallographica Section C Structural Chemistry","2019","75","8","","","10.1107/S2053229619008301","","","0.71073","MoKα","","0.0517","0.0294","","","0.0598","0.0629","","","","","","0.79","","","","has coordinates,has Fobs","216788","2020-10-21","18:00:00",""
"2021699","19.7746","0.0009","6.7721","0.0003","25.0692","0.0008","90","","99.286","0.005","90","","3313.2","0.2","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^]lead(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C34 H20 N10 O4 Pb S2 -","- C34 H20 N10 O4 Pb S2 -","- C136 H80 N40 O16 Pb4 S8 -","4","1","YP3186","Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald","Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand","Acta Crystallographica Section C Structural Chemistry","2019","75","8","","","10.1107/S2053229619008301","","","0.71073","MoKα","","0.0307","0.0229","","","0.0541","0.0553","","","","","","0.913","","","","has coordinates,has Fobs","216788","2020-10-21","18:00:00",""
"2021700","10.5123","0.0008","12.2682","0.0008","15.6379","0.001","66.834","0.005","80.26","0.006","67.514","0.005","1712.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^;κ^2^<i>N</i>^5^:<i>N</i>^1^-bis{[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^](nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II)}","","- C68 H40 N24 O14 Pb2 -","- C68 H40 N24 O14 Pb2 -","- C68 H40 N24 O14 Pb2 -","1","0.5","YP3186","Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald","Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand","Acta Crystallographica Section C Structural Chemistry","2019","75","8","","","10.1107/S2053229619008301","","","0.71073","MoKα","","0.0345","0.0259","","","0.0557","0.0573","","","","","","0.931","","","","has coordinates,has Fobs","216788","2020-10-21","18:00:00",""
"2021701","6.1381","0.0004","13.7467","0.0008","10.0349","0.0005","90","","95.813","0.005","90","","842.38","0.09","105.01","0.11","105","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hypoxanthinium nitrate monohydrate","6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium nitrate monohydrate","","- C5 H7 N5 O5 -","- C5 H7 N5 O5 -","- C20 H28 N20 O20 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.0623","0.0387","","","0.0806","0.0843","","","","","","0.927","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021702","6.241","0.004","13.726","0.003","10.095","0.005","90","","90","","90","","864.8","0.7","285","","285","","","","","","","","","4","P m n b","-P 2bc 2a","62","Hypoxanthinium nitrate monohydrate","6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium nitrate monohydrate","","- C5 H7 N5 O5 -","- C5 H7 N5 O5 -","- C20 H28 N20 O20 -","4","0.5","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.0621","0.0418","","","0.116","0.1292","","","","","","1.107","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021703","10.8485","0.0008","10.1717","0.0006","11.2851","0.0011","90","","104.812","0.009","90","","1203.9","0.17","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hydroxonium hypoxanthinium dinitrate dihydrate","Oxidanium 6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium dinitrate dihydrate","","- C5 H12 N6 O10 -","- C5 H12 N6 O10 -","- C20 H48 N24 O40 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.0714","0.0496","","","0.1174","0.1348","","","","","","1.07","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021704","10.9025","0.0004","10.1712","0.0003","11.3174","0.0004","90","","105.264","0.004","90","","1210.73","0.07","100","0.1","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hydroxonium hypoxanthinium dinitrate dihydrate","Oxidanium 6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium dinitrate dihydrate","","- C5 H12 N6 O10 -","- C5 H12 N6 O10 -","- C20 H48 N24 O40 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","1.54184","CuKα","","0.049","0.0408","","","0.1076","0.1145","","","","","","1.078","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021705","6.1156","0.0018","13.754","0.002","10.0367","0.0019","90","0.014","96.52","0.02","90","0.017","838.8","0.3","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hypoxanthinium nitrate monohydrate","6-Oxo-1<i>H</i>,7<i>H</i>-purin-9-ium nitrate monohydrate","","- C5 H7 N5 O5 -","- C5 H7 N5 O5 -","- C20 H28 N20 O20 -","4","1","QP3027","Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria","Differences and similarities among hypoxanthinium nitrate hydrate structures","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008702","","","0.71073","MoKα","","0.1377","0.0938","","","0.2614","0.2923","","","","","","1.054","","","","has coordinates,has Fobs","216789","2020-10-21","18:00:00",""
"2021706","9.2402","0.0004","25.5312","0.0011","12.5727","0.0006","90","","103.173","0.002","90","","2888","0.2","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~2~-succinato-κ^2^<i>O</i>:<i>O</i>'){μ~2~-tris[4-(1,2,4-triazol-1-yl)phenyl]amine-κ^2^<i>N</i>:<i>N</i>'}copper(II)] dihydrate]","","- C28 H26 Cu N10 O6 -","- C28 H26 Cu N10 O6 -","- C112 H104 Cu4 N40 O24 -","4","1","SK3732","Qian, Lin-Lu; Wang, Zhi-Xiang; Tian, Hai-Xin; Li, Min; Li, Bao-Long; Li, Hai-Yan","Synthesis, structure and photocatalytic degradation of organic dyes of a copper(II) metal‒organic framework (Cu‒MOF) with a 4-coordinated three-dimensional CdSO~4~ topology","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009306","","","0.71073","MoKα","","0.0486","0.0353","","","0.0856","0.0916","","","","","","1.033","","","","has coordinates,has Fobs","216790","2020-10-21","18:00:00",""
"2021707","7.0872","0.0007","8.4024","0.0009","17.4973","0.0017","90","","93.608","0.003","90","","1039.89","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~3~-1-amino-5-carboxybenzene-3,4-dicarboxylato)diaquacadmium(II)]","","- C9 H9 Cd N O8 -","- C9 H9 Cd N O8 -","- C36 H36 Cd4 N4 O32 -","4","1","CU3148","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009227","","","0.71073","MoKα","","0.0185","0.0166","","","0.0462","0.0472","","","","","","1.083","","","","has coordinates,has Fobs","216791","2020-10-21","18:00:00",""
"2021708","7.248","0.0003","9.3135","0.0003","17.2244","0.0006","102.62","0.001","95.86","0.001","99.15","0.001","1108.83","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~5~-1-aminobenzene-3,4,5-tricarboxylato)triaquatrizinc(II)] dihydrate]","","- C18 H18 N2 O17 Zn3 -","- C18 H18 N2 O17 Zn3 -","- C36 H36 N4 O34 Zn6 -","2","1","CU3148","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009227","","","0.71073","MoKα","","0.0351","0.0281","","","0.0721","0.0752","","","","","","1.021","","","","has coordinates,has Fobs","216791","2020-10-21","18:00:00",""
"2021709","16.4855","0.0004","9.2994","0.0003","19.0422","0.0005","90","","113.403","0.001","90","","2679.11","0.13","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide","","- C33 H27 N O2 S -","- C33 H27 N O2 S -","- C132 H108 N4 O8 S4 -","4","1","FN3314","Jia, Lei; Zhang, Jun; Du, Lin","A novel tetraphenylethylene derivative: 4-methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009525","","","0.71073","MoKα","","0.0925","0.0512","","","0.0969","0.1173","","","","","","1.071","","","","has coordinates,has Fobs","216792","2020-10-21","18:00:00",""
"2021710","12.413","0.005","13.394","0.005","16.368","0.005","87.899","0.005","79.578","0.005","66.635","0.005","2455.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)aluminium(III) nitrate ethanol monosolvate","","- C24 H28 Al N3 O10 -","- C24 H28 Al N3 O10 -","- C96 H112 Al4 N12 O40 -","4","2","QF3029","Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon","Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008805","","","0.71069","MoKα","","0.1089","0.0562","","","0.1316","0.1627","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","216793","2020-10-21","18:00:00",""
"2021711","12.399","0.005","13.58","0.005","16.419","0.005","86.818","0.005","78.871","0.005","66.124","0.005","2479.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)gallium(III) nitrate ethanol monosolvate","","- C24 H28 Ga N3 O10 -","- C24 H28 Ga N3 O10 -","- C96 H112 Ga4 N12 O40 -","4","2","QF3029","Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon","Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008805","","","0.71073","MoKα","","0.0517","0.0442","","","0.1075","0.1136","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","216793","2020-10-21","18:00:00",""
"2021712","15.051","0.007","5.295","0.002","26.548","0.011","90","","97.372","0.007","90","","2098.3","1.5","205","","205","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[4-(Cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-4<i>H</i>-1,3-benzothiazin-4-one","","- C20 H23 F3 N4 O3 S -","- C20 H23 F3 N4 O3 S -","- C80 H92 F12 N16 O12 S4 -","4","1","YO3065","Zhang, Gang; Aldrich, Courtney C.","Macozinone: revised synthesis and crystal structure of a promising new drug for treating drug-sensitive and drug-resistant tuberculosis","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009185","","","0.71073","MoKα","","0.075","0.0473","","","0.1064","0.1218","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216794","2020-10-21","18:00:00",""
"2021713","6.8216","0.0001","8.1815","0.0001","8.8083","0.0001","95.146","0.008","106.652","0.008","108.317","0.007","438.3","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[[triaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)barium] monohydrate]","","- C4 H8 Ba O8 -","- C4 H8 Ba O8 -","- C8 H16 Ba2 O16 -","2","1","LF3099","Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.","New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009082","","","0.71073","MoKα","","0.0309","0.0249","","","0.0466","0.0486","","","","","","1.136","","","","has coordinates,has Fobs","216917","2020-10-21","18:00:00",""
"2021714","6.0313","0.0002","7.7677","0.0003","8.6375","0.0003","101.27","0.002","94.952","0.002","111.578","0.002","363.45","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[[diaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)strontium] monohydrate]","","- C4 H6 O7 Sr -","- C4 H6 O7 Sr -","- C8 H12 O14 Sr2 -","2","1","LF3099","Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.","New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009082","","","0.71073","MoKα","","0.0215","0.0181","","","0.0424","0.0433","","","","","","1.069","","","","has coordinates,has Fobs","216917","2020-10-21","18:00:00",""
"2021715","6.8271","0.0007","8.1878","0.0009","8.8227","0.0009","95.18","0.04","106.64","0.05","108.33","0.04","439.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[triaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)barium/strontium(0.85/0.15)] monohydrate]","","- C4 H8 Ba0.85 O8 Sr0.15 -","- C4 H8 Ba0.85 O8 Sr0.15 -","- C8 H16 Ba1.7 O16 Sr0.3 -","2","1","LF3099","Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.","New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009082","","","0.71073","MoKα","","0.0243","0.0227","","","0.0584","0.0595","","","","","","1.132","","","","has coordinates,has disorder,has Fobs","216917","2020-10-21","18:00:00",""
"2021716","15.146","0.003","12.2411","0.0011","17.6555","0.0016","90","","99.104","0.002","90","","3232.2","0.8","293.15","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[[aquacadmium(II)]-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]","","- C28 H26 Cd Cl2 N12 O15 -","- C28 H26 Cd Cl2 N12 O15 -","- C112 H104 Cd4 Cl8 N48 O60 -","4","0.5","LG3244","Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra","Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008325","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0638","","","","","","1.109","","","","has coordinates,has Fobs","216918","2020-10-21","18:00:00",""
"2021717","15.2909","0.0003","14.2702","0.0003","15.4064","0.0004","90","","92.174","0.002","90","","3359.32","0.13","293.15","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[lead(II)-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]","","- C28 H24 Cl2 N12 O14 Pb -","- C28 H24 Cl2 N12 O14 Pb -","- C112 H96 Cl8 N48 O56 Pb4 -","4","0.5","LG3244","Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra","Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008325","","","0.71073","MoKα","","0.03","0.0259","","","0.0683","0.0705","","","","","","1.056","","","","has coordinates,has Fobs","216918","2020-10-21","18:00:00",""
"2021718","22.1247","0.0017","8.7081","0.0008","18.2738","0.0015","90","","90","","90","","3520.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Lesinurad","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid","","- C17 H14 Br N3 O2 S -","- C17 H14 Br N3 O2 S -","- C136 H112 Br8 N24 O16 S8 -","8","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.9246","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021719","9.0092","0.001","9.2165","0.001","11.6947","0.0013","80.899","0.006","79.931","0.006","88.024","0.006","944.03","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lesinurad methanol monosolvate","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid methanol monosolvate","","- C18 H18 Br N3 O3 S -","- C18 H18 Br N3 O3 S -","- C36 H36 Br2 N6 O6 S2 -","2","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","","0.71073","MoKα","","0.0806","0.0519","","","0.1134","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","216919","2020-10-21","18:00:00",""
"2021720","13.292","0.006","7.366","0.003","20.193","0.009","90","","92.857","0.006","90","","1974.6","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lesinurad ethanol monosolvate","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid ethanol monosolvate","","- C19 H20 Br N3 O3 S -","- C19 H20 Br N3 O3 S -","- C76 H80 Br4 N12 O12 S4 -","4","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","","0.71073","MoKα","","0.1095","0.0684","","","0.1623","0.1926","","","","","","1.202","","","","has coordinates,has Fobs","216919","2020-10-21","18:00:00",""
"2021721","15.1245","0.0008","6.6975","0.0003","25.826","0.0013","90","","101.045","0.002","90","","2567.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lesinurad‒caffeine (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid‒3,7-dihydro-1,3,7-trimethyl-1<i>H</i>-purine-2,6-dione (1/1)","","- C25 H24 Br N7 O4 S -","- C25 H24 Br N7 O4 S -","- C100 H96 Br4 N28 O16 S4 -","4","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","","0.71073","MoKα","","0.0329","0.0256","","","0.0606","0.0639","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","216919","2020-10-21","18:00:00",""
"2021722","14.0851","0.0014","6.9721","0.0007","23.1952","0.0019","90","","95.476","0.015","90","","2267.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lesinurad‒nicotinamide (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetic acid‒nicotinamide (1/1)","","- C23 H20 Br N5 O3 S -","- C23 H20 Br N5 O3 S -","- C92 H80 Br4 N20 O12 S4 -","4","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.3809","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021723","10.8067","0.0012","12.1242","0.0012","7.5869","0.0007","97.387","0.017","92.495","0.013","95.23","0.015","980.16","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lesinurad‒urea (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-3-yl]sulfanyl}acetic acid‒urea (1/1)","","- C18 H18 Br N5 O3 S -","- C18 H18 Br N5 O3 S -","- C36 H36 Br2 N10 O6 S2 -","2","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.5179","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021724","10.9993","0.0005","15.229","0.0005","24.0797","0.001","90","","103.193","0.004","90","","3927.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lesinurad‒urea (1/1)","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid‒urea (1/1)","","- C18 H18 Br N5 O3 S -","- C18 H18 Br N5 O3 S -","- C144 H144 Br8 N40 O24 S8 -","8","2","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","","x-ray","0.71073","MoKα","","0.1135","0.0645","","","0.1086","0.1317","","","","","","1.0493","","","","has coordinates,has Fobs","216919","2020-10-21","18:00:00",""
"2021725","10.4597","0.0009","12.798","0.0006","15.0545","0.0009","90","","98.709","0.005","90","","1992","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato){μ~2~-1,3-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}dicobalt(II)]","","- C44 H34 Co2 N8 O8 -","- C44 H34 Co2 N8 O8 -","- C88 H68 Co4 N16 O16 -","2","1","YF3180","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun","Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009136","","","0.71073","MoKα","","0.1324","0.0681","","","0.1527","0.1831","","","","","","1.003","","","","has coordinates,has Fobs","216920","2020-10-21","18:00:00",""
"2021726","21.263","0.004","12.366","0.002","19.608","0.004","90","","120.91","0.03","90","","4423","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[aqua(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato){1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}dicobalt(II)] dihydrate]","","- C44 H46 Co2 N2 O14 -","- C44 H42 Co2 N8 O12 -","- C176 H168 Co8 N32 O48 -","4","0.5","YF3180","Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun","Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009136","","","0.71073","MoKα","","0.0456","0.042","","","0.1161","0.1187","","","","","","1.033","","","","has coordinates,has Fobs","216920","2020-10-21","18:00:00",""
"2021727","8.1442","0.0004","9.2736","0.0005","17.1777","0.001","76.525","0.005","80.08","0.004","76.808","0.004","1218.6","0.12","100","0.19","100","0.19","","","","","","","","6","P -1","-P 1","2","","Bis[<i>N</i>,<i>N</i>'-bis(2-sulfonatoethyl)-1,4,5,8-naphthalene diimide] di-μ-hydroxido-bis[tetraaquaaluminium(III)] tetrahydrate","","- C36 H50 Al2 N4 O34 S4 -","- C36 H50 Al2 N4 O34 S4 -","- C36 H50 Al2 N4 O34 S4 -","1","0.5","QP3031","Ke, Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Structural characterization and photochromic behaviour of a novel compound based on a π-acidic naphthalene diimide derivative and a double hydroxide-bridged dinuclear Al^III^ aqua ion cluster","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009872","","x-ray","1.54184","CuKα","","0.0711","0.0516","","","0.1315","0.1473","","","","","","1.048","","","","has coordinates,has Fobs","217004","2020-10-21","18:00:00",""
"2021728","10.4471","0.0004","10.9855","0.0005","11.6347","0.0005","83.241","0.001","70.219","0.001","79.242","0.001","1232.25","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium)] 1.66-hydrate]","","- C22 H25.32 Cd N2 O13.66 -","- C22 H25.32 Cd N2 O13.66 -","- C44 H50.64 Cd2 N4 O27.32 -","2","1","SK3734","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010192","","","0.71073","MoKα","","0.0338","0.0278","","","0.0655","0.0679","","","","","","1.051","","","","has coordinates,has Fobs","217273","2020-10-21","18:00:00",""
"2021729","4.6802","0.0007","15.507","0.002","12.8345","0.0017","90","","93.757","0.005","90","","929.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~6~-1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium)}cadmium(II)]","","- C22 H14 Cd N2 O8 -","- C22 H14 Cd N2 O8 -","- C44 H28 Cd2 N4 O16 -","2","0.5","SK3734","Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei","Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010192","","","0.71073","MoKα","","0.06","0.0398","","","0.0999","0.108","","","","","","1.066","","","","has coordinates,has Fobs","217273","2020-10-21","18:00:00",""
"2021730","10.7545","0.0003","6.47168","0.00018","30.0313","0.0009","90","","96.456","0.003","90","","2076.91","0.1","294.76","0.1","294.76","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Carbamazepine‒3,5-dinitrobenzoic acid (1/1)","5<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒3,5-dinitrobenzoic acid (1/1)","","- C22 H16 N4 O7 -","- C22 H16 N4 O7 -","- C88 H64 N16 O28 -","4","1","YF3179","Pawledzio, Sylwia; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure and energetic features of the cocrystal of carbamazepine with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619009896","","x-ray","0.71073","MoKα","","0.0502","0.0414","","","0.1061","0.1119","","","","","","1.035","","","","has coordinates,has Fobs","217274","2020-10-21","18:00:00",""
"2021731","7.3336","0.0006","7.9301","0.0007","12.578","0.0012","107.14","0.008","104.982","0.007","94.285","0.007","666.16","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-Fluorobenzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C18 H15 F O2 -","- C18 H15 F O2 -","- C36 H30 F2 O4 -","2","1","SK3735","Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige","Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010118","","","0.71073","MoKα","","0.0498","0.0423","","","0.0987","0.1049","","","","","","1.072","","","","has coordinates,has Fobs","217281","2020-10-21","18:00:00",""
"2021732","17.1415","0.0007","11.7917","0.0004","17.3364","0.0007","90","","101.165","0.004","90","","3437.8","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(2-fluorophenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-3-ium chloride","","- C19 H19 Cl F N3 O -","- C19 H19 Cl F N3 O -","- C152 H152 Cl8 F8 N24 O8 -","8","2","SK3735","Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige","Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010118","","","0.71073","MoKα","","0.0563","0.0427","","","0.094","0.1019","","","","","","1.043","","","","has coordinates,has Fobs","217281","2020-10-21","18:00:00",""
"2021733","8.7725","0.0009","11.9161","0.001","17.1473","0.0015","90","","102.626","0.01","90","","1749.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-fluorophenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-3-ium chloride","","- C19 H19 Cl F N3 O -","- C19 H19 Cl F N3 O -","- C76 H76 Cl4 F4 N12 O4 -","4","1","SK3735","Sun, Yue; Gao, Zhongfei; Wang, Chunhua; Hou, Guige","Synthesis, crystal structures and anti-inflammatory activity of fluorine-substituted 1,4,5,6-tetrahydrobenzo[<i>h</i>]quinazolin-2-amine derivatives","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619010118","","","0.71073","MoKα","","0.0634","0.0515","","","0.1175","0.1256","","","","","","1.073","","","","has coordinates,has Fobs","217281","2020-10-21","18:00:00",""
"2021734","12.6321","0.0017","13.9512","0.0019","14.792","0.002","90","","113.077","0.002","90","","2398.2","0.6","240","2","240","2","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","[[<i>D</i>-βVal^3,7^]Ascidiacyclamide(2-)]aqua-μ-carbonato-dicopper(II) monohydrate","","- C39 H58 Cu2 N8 O11 S2 -","- C39 H58 Cu2 N8 O11 S2 -","- C78 H116 Cu4 N16 O22 S4 -","2","1","CU3139","Asano, Akiko; Doi, Mitsinobu","A bis-copper(II)‒[<small>D</small>-βVal^3,7^]ascidiacyclamide complex enveloping two square pyramids and sharing an apex atom from a carbonate anion","Acta Crystallographica Section C","2019","75","8","1182","1187","10.1107/S2053229619007952","","","0.71073","MoKα","","0.1251","0.1145","","","0.2753","0.2832","","","","","","1.043","","","","has coordinates,has Fobs","217305","2020-10-21","18:00:00",""
"2021735","16.9417","0.0003","7.45114","0.00013","23.0287","0.0004","90","","104.983","0.0018","90","","2808.2","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-{5-[4-(Dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C128 H120 N24 -","8","2","JX3037","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis, crystal structure studies and solvatochromic behaviour of two 2-{5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile derivatives","Acta Crystallographica Section C","2019","75","8","1175","1181","10.1107/S2053229619010398","","","1.54184","CuKα","","0.0436","0.038","","","0.1015","0.1079","","","","","","1.046","","","","has coordinates,has Fobs","217306","2020-10-21","18:00:00",""
"2021736","13.6175","0.0016","11.6514","0.0014","19.723","0.002","90","","104.121","0.002","90","","3034.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-{(2<i>E</i>,4<i>E</i>,6<i>E</i>)-7-[4-(Dimethylamino)phenyl]hepta-2,4,6-trien-1-ylidene}malononitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C144 H136 N24 -","8","2","JX3037","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis, crystal structure studies and solvatochromic behaviour of two 2-{5-[4-(dimethylamino)phenyl]penta-2,4-dien-1-ylidene}malononitrile derivatives","Acta Crystallographica Section C","2019","75","8","1175","1181","10.1107/S2053229619010398","","","0.71073","MoKα","","0.059","0.0448","","","0.1205","0.132","","","","","","1.043","","","","has coordinates,has Fobs","217306","2020-10-21","18:00:00",""
"2021737","8.8434","0.0004","15.1918","0.0006","43.0639","0.0017","90","","90","","90","","5785.5","0.4","120","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,6-Penta-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose","","- C16 H22 O11 -","- C16 H22 O11 -","- C192 H264 O132 -","12","3","FP3073","Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains","Acta Crystallographica Section C","2019","75","8","1166","1174","10.1107/S2053229619008817","","","1.54178","CuKα","","0.0445","0.042","","","0.1071","0.1095","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","217307","2020-10-21","18:00:00",""
"2021738","9.1043","0.0002","21.477","0.0005","13.8106","0.0003","90","","91.8362","0.0008","90","","2699.04","0.1","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow2)-\ 3,4,6-tri-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow3)-\ 1,2,4,6-tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose","","- C40 H54 O27 -","- C40 H54 O27 -","- C80 H108 O54 -","2","1","FP3073","Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains","Acta Crystallographica Section C","2019","75","8","1166","1174","10.1107/S2053229619008817","","","1.54178","CuKα","","0.0337","0.0336","","","0.0942","0.0944","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","217307","2020-10-21","18:00:00",""
"2021739","9.2613","0.0019","10.882","0.002","23.583","0.005","90","","95.54","0.03","90","","2365.6","0.8","90","0.3","90","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrotetrazole 5","1,2-Di-<i>tert</i>-butyl 3-phenyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,10b<i>H</i>-[1,2,3,4]tetrazolo[5,1-<i>a</i>]isoquinoline-1,2-dicarboxylate","","- C25 H30 N4 O4 -","- C25 H30 N4 O4 -","- C100 H120 N16 O16 -","4","1","UK3181","Breton, Gary W.; Hahn, Lauren A.; Martin, Kenneth L.","Structural verification of a tetrahydrotetrazole compound","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010210","","x-ray","0.71073","MoKα","","0.057","0.0419","","","0.1098","0.1159","","","","","","1.035","","","","has coordinates,has Fobs","217427","2020-10-21","18:00:00",""
"2021740","15.9687","0.0003","18.7065","0.0004","15.8249","0.0004","90","","106.077","0.0012","90","","4542.31","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aquatris(μ~3~-4,4-diphenyl-2,5-dioxoimidazolidin-1-ido)trimethanoltrisodium(I)]","","- C16 H15.72 N2 Na O3.36 -","- C16.0002 H15.7211 N2 Na1.0002 O3.36037 -","- C192.002 H188.654 N24 Na12.0024 O40.3244 -","12","3","SK3736","Shah, Harsh S.; Chaturvedi, Kaushalendra; Zeller, Matthias; Bates, Simon; Morris, Kenneth","A threefold superstructure of the anti-epileptic drug phenytoin sodium as a mixed methanol solvate hydrate","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010696","","","1.54178","CuKα","","0.0655","0.0514","","","0.1462","0.1577","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","283803","2023-05-16","08:05:53",""
"2021741","15.5757","0.0018","13.7204","0.0016","9.5959","0.0011","90","","92.513","0.002","90","","2048.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Li O14 P3 Sb2 -","- Ba Li O14 P3 Sb2 -","- Ba8 Li8 O112 P24 Sb16 -","8","1","YO3066","Zhang, Shi-Rui; Zhao, Dan; Zhang, Rui-Juan; Shi, Lin-Ying; Dai, Shao-Jie; Fan, Yun-Chang","A novel stibium phosphate, LiBa(SbO)~2~(PO~4~)~3~: synthesis, crystal structure and RE^3+^-activated (RE = Tb^3+^ and Eu^3+^) fluorescence performance","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010155","","","0.71073","MoKα","","0.0566","0.0399","","","0.089","0.098","","","","","","1.025","","","","has coordinates,has Fobs","217477","2020-10-21","18:00:00",""
"2021742","18.1367","0.0012","18.1367","0.0012","8.7103","0.0009","90","","90","","90","","2865.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","<i>catena</i>-Poly[zinc(II)-bis[μ~2~-5-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ido-κ^2^<i>N</i>^3^:<i>S</i>]]","","- C6 H6 N4 S6 Zn -","- C6 H6 N4 S6 Zn -","- C48 H48 N32 S48 Zn8 -","8","1","JX3043","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Xie, Fazhi; Yuan, Shizhen; Song, Xiaojie; Lu, Zhansheng; Xuan, Xiaopeng","A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010945","","","0.71073","MoKα","","0.0399","0.0302","","","0.0597","0.0638","","","","","","1.043","","","","has coordinates,has Fobs","217478","2020-10-21","18:00:00",""
"2021743","7.9854","0.0016","28.569","0.006","8.8257","0.0018","90","","91.61","0.03","90","","2012.7","0.7","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(Dimethylamino)(iminiumyl)methyl]guanidine (butylcarbamoyl)[(4-methylbenzene)sulfonyl]azanide","","- C16 H29 N7 O3 S -","- C16 H29 N7 O3 S -","- C64 H116 N28 O12 S4 -","4","1","KU3246","Jia, Lina; Wu, Songgu; Gong, Junbo","A tolbutamide‒metformin salt based on antidiabetic drug combinations: synthesis, crystal structure analysis and pharmaceutical properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010647","","","0.71073","MoKα","","0.0709","0.0579","","","0.1491","0.1581","","","","","","1.057","","","","has coordinates,has Fobs","217539","2020-10-21","18:00:00",""
"2021744","19.1399","0.0005","19.1399","0.0005","26.7399","0.0009","90","","90","","120","","8483.4","0.4","153","1","153","1","","","","","","","","3","R -3 :H","-R 3","148","","Triphenylmethanol","","- C19 H16 O -","- C19 H16.0002 O -","- C456 H384.005 O24 -","24","1.33333","CU3146","Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain","Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010714","","x-ray","0.56083","AgKα","","0.1069","0.0524","","","0.1364","0.1673","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","217540","2020-10-21","18:00:00",""
"2021745","19.3309","0.0008","19.3309","0.0008","26.8542","0.0011","90","","90","","120","","8690.5","0.6","295","1","295","1","","","","","","","","3","R -3 :H","-R 3","148","","Triphenylmethanol","","- C19 H16 O -","- C19 H16.0002 O -","- C456 H384.005 O24 -","24","1.33333","CU3146","Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain","Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010714","","x-ray","0.56083","AgKα","","0.1619","0.0628","","","0.1803","0.2415","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","217540","2020-10-21","18:00:00",""
"2021746","10.673","0.0005","10.0539","0.0004","15.0271","0.0007","90","","96.095","0.001","90","","1603.37","0.12","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","(<i>E</i>)-4-({3,5-Di-<i>tert</i>-butyl-2-[(diphenylboranyl)oxy]\ benzylidene}amino)-<i>N</i>-phenylaniline","{2-[(4-Anilinophenyl)iminomethyl-κ<i>N</i>]-4,6-di-<i>tert</i>-\ butylphenolato-κ<i>O</i>}diphenylboron","","- C39 H41 B N2 O -","- C39 H41 B N2 O -","- C78 H82 B2 N4 O2 -","2","1","JX3038","Wang, Shengpei; Yu, Shasha; Feng, Jianxiang; Liu, Shenggao","A highly efficient antioxidant based on boron and a Schiff base bridged phenolic diphenylamine: synthesis, crystal structure and thermal and antioxidant properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011331","","","0.71073","MoKα","","0.0517","0.043","","","0.1021","0.1095","","","","","","1.031","","","","has coordinates,has Fobs","217574","2020-10-21","18:00:00",""
"2021747","12.947","0.003","13.889","0.003","16.289","0.0011","77.482","0.003","73.859","0.003","85.101","0.002","2745.8","0.9","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(dimethylformamide)(μ~6~-4,4',4''-{[(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(oxy)}tribenzoato)lanthanum(III)] dimethylformamide tetrasolvate 0.25-hydrate]","","- C51 H69.5 La N6 O15.25 -","- C51 H69.5 La N6 O15.25 -","- C102 H139 La2 N12 O30.5 -","2","1","YP3192","Zhou, Lian; Shi, Pei-Dong; Guo, Xiao-Kun; Feng, Xiu-Cun; Wang, Lin-Lin; Zhang, Jun","A new lanthanum coordination polymer built from a semi-rigid tripodal carboxylic acid ligand: synthesis, crystal structure and properties","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011240","","x-ray","0.71073","MoKα","","0.0698","0.0599","","","0.145","0.147","","","","","","1.014","","","","has coordinates,has Fobs","217608","2020-10-21","18:00:00",""
"2021748","11.1726","0.0008","17.3565","0.0012","18.1282","0.0012","106.232","0.002","94.712","0.002","100.804","0.002","3281.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","\ Poly[[pentaaquabis[μ~3~-5-(4-carboxybenzyloxy)isophthalato]bis[μ~6~-5-(4-\ carboxylatobenzyloxy)isophthalato]di-μ~3~-hydroxido-hexazinc(II)] trihydrate]","","- C64 H56 O38 Zn6 -","- C64 H56 O38 Zn6 -","- C128 H112 O76 Zn12 -","2","1","SK3729","An, Yanyan; Lu, Liping; Zhu, Miaoli","Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011069","","","0.71073","MoKα","","0.0371","0.0335","","","0.0888","0.0917","","","","","","1.026","","","","has coordinates,has Fobs","217609","2020-10-21","18:00:00",""
"2021749","10.1554","0.0005","11.4754","0.0006","12.0367","0.0006","78.223","0.0019","73.5756","0.0017","82.7987","0.0019","1313.74","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline)zinc(II)]\-m~2~-5-(4-carboxybenzyloxy)isophthalato] dihydrate]","","- C28 H24 N2 O10 Zn -","- C28 H24 N2 O10 Zn -","- C56 H48 N4 O20 Zn2 -","2","1","SK3729","An, Yanyan; Lu, Liping; Zhu, Miaoli","Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011069","","","0.71073","MoKα","","0.0905","0.0508","","","0.124","0.1419","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","217609","2020-10-21","18:00:00",""
"2021750","10.7681","0.0004","11.4698","0.0005","14.7034","0.0006","99.5851","0.0012","99.7806","0.0012","100.146","0.0011","1725.11","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquatetrakis(4,4'-bipyridine)bis[μ~6~-5-(4-carboxylatobenzyloxy)isophthalato]di-μ~3~-formato-di-μ~3~-hydroxido-pentazinc(II)]","","- C74 H58 N8 O22 Zn5 -","- C74 H58 N8 O22 Zn5 -","- C74 H58 N8 O22 Zn5 -","1","0.5","SK3729","An, Yanyan; Lu, Liping; Zhu, Miaoli","Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011069","","","0.71073","MoKα","","0.0377","0.0293","","","0.0651","0.0688","","","","","","1.054","","","","has coordinates,has Fobs","217609","2020-10-21","18:00:00",""
"2021751","6.77971","0.00009","10.82624","0.00017","11.36217","0.00017","107.326","0.0012","92.9637","0.0012","104.772","0.0012","762.42","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C24 H24 F8 I4 N4 -","2","1","","Wang, Ruimin; George, Janine; Potts, Shannon Kimberly; Kremer, Marius; Dronskowski, Richard; Englert, Ulli","The many flavours of halogen bonds ‒ message from experimental electron density and Raman spectroscopy","Acta Crystallographica Section C Structural Chemistry","2019","75","9","","","10.1107/S205322961901132X","","","0.71073","MoKα","","0.027","0.016","","","","0.022","","","","","","0.994","","","","has coordinates","217668","2020-10-21","18:00:00",""
"2021752","8.6303","0.0006","10.4227","0.0007","11.3529","0.0005","74.989","0.005","82.851","0.004","75.116","0.006","951.43","0.11","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","4'-[4-(Pyrazin-2-yl)phenyl]-4,2':6',4''-terpyridine","","- C25 H17 N5 -","- C25 H17 N5 -","- C50 H34 N10 -","2","1","FN3323","Granifo, Juan; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo","Structural characterization of a hybrid terpyridine‒pyrazine ligand and its one-dimensional Zn^II^ coordination polymer: a computational approach to <i>conventional</i> and <i>nonconventional</i> intermolecular interactions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011161","","x-ray","0.71073","MoKα","","0.1001","0.0546","","","0.1229","0.1533","","","","","","1.025","","","","has coordinates,has Fobs","217669","2020-10-21","18:00:00",""
"2021753","10.8329","0.0011","11.2168","0.0016","14.259","0.003","65.938","0.011","88.829","0.012","76.828","0.01","1535.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-4'-[4-(pyrazin-2-yl-κ<i>N</i>^4^)phenyl]-4,2':6',4''-terpyridine-κ<i>N</i>^1^]","","- C35 H31 N5 O4 Zn -","- C35 H31 N5 O4 Zn -","- C70 H62 N10 O8 Zn2 -","2","1","FN3323","Granifo, Juan; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo","Structural characterization of a hybrid terpyridine‒pyrazine ligand and its one-dimensional Zn^II^ coordination polymer: a computational approach to <i>conventional</i> and <i>nonconventional</i> intermolecular interactions","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011161","","x-ray","0.71073","MoKα","","0.0977","0.0552","","","0.0989","0.1238","","","","","","1.057","","","","has coordinates,has Fobs","217669","2020-10-21","18:00:00",""
"2021754","5.0481","0.0004","18.633","0.002","6.7533","0.0006","90","","109.517","0.007","90","","598.73","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(thiazole-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)","","- C8 H8 Co N2 O6 S2 -","- C8 H8 Co N2 O6 S2 -","- C16 H16 Co2 N4 O12 S4 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0263","0.0215","","","0.0529","0.0537","","","","","","0.965","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021755","5.071","0.0009","18.239","0.003","6.8383","0.0017","90","","109.78","0.016","90","","595.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(thiazole-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)","","- C8 H8 N2 Ni O6 S2 -","- C8 H8 N2 Ni O6 S2 -","- C16 H16 N4 Ni2 O12 S4 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0276","0.0223","","","0.0562","0.0571","","","","","","0.949","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021756","5.0198","0.0005","19.052","0.002","6.8982","0.0007","90","","109.281","0.007","90","","622.72","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(thiazole-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cadmium(II)","","- C8 H8 Cd N2 O6 S2 -","- C8 H8 Cd N2 O6 S2 -","- C16 H16 Cd2 N4 O12 S4 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0225","0.0191","","","0.0462","0.0469","","","","","","0.998","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021757","5.1145","0.0007","10.6123","0.0012","10.4179","0.0013","90","","97.858","0.01","90","","560.14","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1<i>H</i>-imidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C16 H20 Co2 N8 O12 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0403","0.0234","","","0.0459","0.0478","","","","","","0.835","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021758","5.1664","0.0007","10.9879","0.0015","9.755","0.0011","90","","99.378","0.01","90","","546.37","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1,3-oxazole-4-carboxylato-κ^2^<i>N</i>,<i>O</i>^4^)cobalt(II)","","- C8 H8 Co N2 O8 -","- C8 H8 Co N2 O8 -","- C16 H16 Co2 N4 O16 -","2","0.5","FN3320","Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus","Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619011525","","","0.71073","MoKα","","0.0401","0.0247","","","0.0502","0.0522","","","","","","0.908","","","","has coordinates,has Fobs","217821","2020-10-21","18:00:00",""
"2021760","7.3009","0.0008","11.0552","0.0011","30.006","0.003","90","","90","","90","","2421.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","","- C30 H29 N O -","- C30 H29 N O -","- C120 H116 N4 O4 -","4","1","FF2162","Ben Ali, Karim; Retailleau, Pascal","Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","Acta Crystallographica Section E Crystallographic Communications","2019","75","10","1399","","10.1107/S2056989019011964","","","0.71073","MoKα","","0.0443","0.0379","","","0.0791","0.0828","","","","","","1.072","","","","has coordinates,has Fobs","217959","2020-10-21","18:00:00",""
"2021761","7.7222","0.0003","11.5401","0.0005","20.416","0.0008","90","","95.965","0.004","90","","1809.52","0.13","295.54","0.1","295.54","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-{3-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(pyridin-3-yl)-1,3,4-oxadiazole","","- C22 H15 N5 O2 -","- C22 H15 N5 O2 -","- C88 H60 N20 O8 -","4","1","YF3187","Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping","Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings","Acta Crystallographica Section C Structural Chemistry","2019","75","10","","","10.1107/S2053229619011744","","x-ray","1.54184","CuKα","","0.1003","0.0824","","","0.2132","0.2385","","","","","","1.068","","","","has coordinates,has Fobs","218064","2020-10-21","18:00:00",""
"2021762","20.37","0.0006","15.0076","0.0003","19.5451","0.0005","90","","90.133","0.003","90","","5975","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(μ~3~-5-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(pyridin-3-yl)-1,3,4-oxadiazole)tetra-μ~3~-trifluoroacetato-disilver(I) dichloromethane monosolvate","","- C53 H32 Ag4 Cl2 F12 N10 O12 -","- C53 H32 Ag4 Cl2 F12 N10 O12 -","- C212 H128 Ag16 Cl8 F48 N40 O48 -","4","0.5","YF3187","Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping","Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings","Acta Crystallographica Section C Structural Chemistry","2019","75","10","","","10.1107/S2053229619011744","","x-ray","1.54184","CuKα","","0.0683","0.0501","","","0.1424","0.1666","","","","","","1.104","","","","has coordinates,has Fobs","218064","2020-10-21","18:00:00",""
"2021763","7.4159","0.0012","9.5352","0.0018","11.158","0.002","78.97","0.016","82.579","0.014","72.591","0.016","736.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[di-μ-trifluoroacetato-disilver(I)]-bis[μ-2,5-\ bis(pyridin-3-yl)-1,3,4-oxadiazole]]","","- C28 H16 Ag2 F6 N8 O6 -","- C28 H16 Ag2 F6 N8 O6 -","- C28 H16 Ag2 F6 N8 O6 -","1","0.5","YF3187","Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping","Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings","Acta Crystallographica Section C Structural Chemistry","2019","75","10","","","10.1107/S2053229619011744","","x-ray","1.54184","CuKα","","0.0632","0.0613","","","0.169","0.1735","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","218064","2020-10-21","18:00:00",""
"2021764","14.4354","0.0001","14.4617","0.0001","28.6558","0.0002","93.284","0.001","101.441","0.001","113.33","0.001","5322.26","0.08","103","2","103","2","","","","","","","synthesis","4","P 1","P 1","1","","[Leu^2^]Gramicidin S","","- C65.89 H107.18 N10 O12.7 -","- C65.89 H107.18 N10 O12.6997 -","- C197.67 H321.539 N30 O38.099 -","3","3","JX3048","Asano, Akiko; Matsuoka, Shiori; Minami, Chisato; Kato, Takuma; Doi, Mitsinobu","[Leu^2^]Gramicidin S preserves the structural properties of its parent peptide and forms helically aligned β-sheets","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011872","","","1.54184","CuKα","","0.0351","0.0345","","","0.0907","0.0913","","","","","","0.899","","","","has coordinates,has disorder,has Fobs","218065","2020-10-21","18:00:00",""
"2021765","28.319","0.013","11.655","0.005","23.593","0.01","90","","97.421","0.005","90","","7722","6","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(2,6-Bis{[(triphenyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II) dichlorometahne hemisolvate","","- C44.5 H38 Br Cl N2 Ni P2 -","- C44.5 H38 Br Cl N2 Ni P2 -","- C356 H304 Br8 Cl8 N16 Ni8 P16 -","8","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.0836","0.0529","","","0.0964","0.1114","","","","","","1.07","","","","has coordinates,has Fobs","225385","2020-10-21","18:00:00",""
"2021766","10.1057","0.0007","13.8342","0.001","15.3868","0.0011","74.892","0.006","85.365","0.006","89.151","0.006","2070","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,6-Bis{[(cyclohexyldiphenyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II) butanol hemisolvate","","- C46 H54 Br N2 Ni O0.5 P2 -","- C46 H54 Br N2 Ni O0.5 P2 -","- C92 H108 Br2 N4 Ni2 O P4 -","2","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.0989","0.054","","","0.1043","0.131","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","225385","2020-10-21","18:00:00",""
"2021767","21.9686","0.0012","10.4728","0.0005","17.5599","0.0009","90","","93.74","0.005","90","","4031.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-Bis{[(dicyclohexylphenyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II)","","- C44 H61 Br N2 Ni P2 -","- C44 H61 Br N2 Ni P2 -","- C176 H244 Br4 N8 Ni4 P8 -","4","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.0931","0.0554","","","0.1368","0.162","","","","","","1.048","","","","has coordinates,has Fobs","225385","2020-10-21","18:00:00",""
"2021768","17.569","0.009","11.612","0.006","20.608","0.01","90","","91.521","0.005","90","","4203","4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-Bis{[(tricyclohexyl-λ^5^-phosphanylidene)imino]methyl}phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>')bromidonickel(II)","","- C44 H73 Br N2 Ni P2 -","- C44 H73 Br N2 Ni P2 -","- C176 H292 Br4 N8 Ni4 P8 -","4","1","JX3045","Guillet, Gary L.; Pitts, Skyler L.; Sheriff, Kirkland W.; Rucker, Donna N.; Rogers, Aaryn L.","Synthesis, characterization, and crystal structures of organonickel(II) complexes coordinated to novel 1-bromo-2,6-bis{[(λ^5^-phosphanylidene)imino]methyl}benzene NCN-pincer ligands","Acta Crystallographica Section C","2019","75","10","1381","1388","10.1107/S2053229619012038","","","0.71073","MoKα","","0.1077","0.0607","","","0.117","0.144","","","","","","1.055","","","","has coordinates,has Fobs","225385","2020-10-21","18:00:00",""
"2021769","18.8929","0.0004","12.8744","0.0002","8.4047","0.0002","90","","110.904","0.002","90","","1909.76","0.07","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ethanol-κ<i>O</i>)bis(nitrato-κ<i>O</i>)[5-phenyl-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^]copper(II)","","- C16 H16 Cu N6 O7 -","- C16 H16 Cu N6 O7 -","- C64 H64 Cu4 N24 O28 -","4","1","LF3098","Marandi, Farzin; Moeini, Keyvan; Krautscheid, Harald","Coordination of a triazine ligand with Cu^II^ and Ag^I^ investigated by spectral, structural, theoretical and docking studies","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011719","","","1.54186","CuKα","","0.0278","0.0275","","","0.0776","0.0778","","","","","","1.12","","","","has coordinates,has Fobs","218079","2020-10-21","18:00:00",""
"2021770","6.1435","0.0001","16.2987","0.0004","13.9126","0.0003","90","","102.414","0.002","90","","1360.51","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-5-phenyl-3-(pyridin-2-yl)-1,2,4-triazine]-κ^3^<i>N</i>^1^:<i>N</i>^2^,<i>N</i>^3^;<i>N</i>^2^,<i>N</i>^3^:<i>N</i>^1^-bis[(nitrato-κ<i>O</i>)silver(I)]","","- C14 H10 Ag N5 O3 -","- C14 H10 Ag N5 O3 -","- C56 H40 Ag4 N20 O12 -","4","1","LF3098","Marandi, Farzin; Moeini, Keyvan; Krautscheid, Harald","Coordination of a triazine ligand with Cu^II^ and Ag^I^ investigated by spectral, structural, theoretical and docking studies","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011719","","","1.54186","CuKα","","0.027","0.0241","","","0.0605","0.0614","","","","","","1.085","","","","has coordinates,has Fobs","218079","2020-10-21","18:00:00",""
"2021771","6.059","0.003","37.243","0.007","6.577","0.003","90","0.03","105.12","0.03","90","0.03","1432.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N Na O5 -","- C13 H16 N Na O5 -","- C52 H64 N4 Na4 O20 -","4","1","","Krawczyk, Marta S.; Majerz, Irena","The Na—O bond in sodium fenamate","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","5","","","10.1107/S2052520619009065","","","1.5418","CuKα","","0.0689","0.0656","","","0.1779","0.1814","","","","","","1.072","","","","has coordinates,has Fobs","218154","2020-10-21","18:00:00",""
"2021772","12.251","0.005","7.457","0.003","20.863","0.006","90","","90","","90","","1906","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Hydroxyphenyl)-6-methyl-1<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","YP3193","Fusco, Sandra; Capasso, Domenica; Centore, Roberto; Di Gaetano, Sonia; Parisi, Emmanuele","A new biologically active molecular scaffold: crystal structure of 7-(3-hydroxyphenyl)-4-methyl-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole and selective antiproliferative activity of three isomeric triazolo‒triazoles","Acta Crystallographica Section C","2019","75","10","1398","1404","10.1107/S2053229619012403","","x-ray","0.71073","MoKα","","0.1076","0.0557","","","0.1014","0.1183","","","","","","1.065","","","","has coordinates,has Fobs","225384","2020-10-21","18:00:00",""
"2021773","10.5273","0.0002","10.3266","0.0003","21.1193","0.0005","90","","92.647","0.002","90","","2293.46","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>O</i>,<i>O</i>'-Dimethyl [(2,3,4,5,6-pentafluorophenylhydrazinyl]phosphonate","","- C8 H8 F5 N2 O3 P -","- C8 H8 F5 N2 O3 P -","- C64 H64 F40 N16 O24 P8 -","8","2","QS3086","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Kaur, Manpreet; Jasinski, Jerry P.","The synergistic co-operation of N—H···O=P hydrogen bonds and C—H···O<i>X</i> weak intermolecular interactions (<i>X</i> is =P or —C) in the (CH~3~O)~2~P(O)(NH‒NHC~6~F~5~) amidophosphoester: a combined X-ray crystallographic and theoretical study","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619011641","","x-ray","0.71073","MoKα","","0.0644","0.0438","","","0.1036","0.1166","","","","","","1.02","","","","has coordinates,has Fobs","218866","2020-10-21","18:00:00",""
"2021774","9.7167","0.001","16.1179","0.0017","13.9936","0.0016","90","","91.395","0.004","90","","2190.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>^4^-(2-Aminophenyl)-6-methoxy-5-nitrosopyrimidine-2,4-diamine","","- C25 H22 N6 O -","- C25 H22 N6 O -","- C100 H88 N24 O4 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0719","0.0493","","","0.1112","0.1216","","","","","","1.059","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021775","15.8911","0.0013","9.6209","0.0007","15.9244","0.0011","90","","91.581","0.003","90","","2433.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>N</i>^5^-(4-methoxybenzyl)-4-[2-(4-methoxyphenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl]pyrimidine-2,5-diamine","","- C27 H26 N6 O3 -","- C27 H26 N6 O3 -","- C108 H104 N24 O12 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0606","0.0508","","","0.1227","0.1284","","","","","","1.066","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021776","7.6614","0.0006","16.6048","0.0011","18.1311","0.0013","90","","97.101","0.003","90","","2288.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Methoxy-<i>N</i>^5^-(4-nitrobenzyl)-4-[2-(4-nitrophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl]pyrimidine-2,5-diamine","","- C25 H20 N8 O5 -","- C25 H20 N8 O5 -","- C100 H80 N32 O20 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0481","0.0427","","","0.109","0.1135","","","","","","1.054","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021777","8.1992","0.0007","11.016","0.0008","11.424","0.0009","109.105","0.003","109.171","0.003","97.138","0.003","889.35","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-4-[2-(4-methylphenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl]pyrimidine-2,5-diamine monohydrate","","- C19 H20 N6 O2 -","- C19 H20 N6 O2 -","- C38 H40 N12 O4 -","2","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0416","0.0369","","","0.0937","0.0985","","","","","","1.033","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021778","9.1818","0.0008","21.0771","0.0016","13.361","0.0011","90","","91.777","0.003","90","","2584.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{5-Amino-6-methoxy-6-[2-(4-methylphenyl)-1<i>H</i>-\ benzo[<i>d</i>]imidazol-1-yl]pyrimidin-2-yl}-2,2,2-trifluoroacetamide ethyl acetate monosolvate","","- C25 H25 F3 N6 O4 -","- C25 H25 F3 N6 O4 -","- C100 H100 F12 N24 O16 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0557","0.0494","","","0.1163","0.1204","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","218867","2020-10-21","18:00:00",""
"2021779","12.6296","0.0008","11.2206","0.0007","15.648","0.001","90","","104.18","0.002","90","","2149.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-{2-Amino-6-methoxy-4-[2-(4-methylphenyl)-1<i>H</i>-\ benzo[<i>d</i>]imidazol-1-yl]pyrimidin-5-yl}-2,2,2-trifluoroacetamide","","- C22 H21 F3 N6 O3 -","- C22 H21 F3 N6 O3 -","- C88 H84 F12 N24 O12 -","4","1","OV3133","Vicentes, Daniel E.; Rodríguez, Ricaurte; Ochoa, Patricia; Cobo, Justo; Glidewell, Christopher","A concise and efficient synthesis of amino-substituted (1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012087","","","0.71073","MoKα","","0.0531","0.0401","","","0.0914","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","218867","2020-10-21","18:00:00",""
"2021780","21.8106","0.0003","18.0754","0.0002","18.1455","0.0002","90","","100.742","0.001","90","","7028.24","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}(η^4^-norbornadiene)rhodium(I) tetrafluoridoborate","","- C43 H36 B F4 O P2 Rh -","- C43 H36 B F4 O P2 Rh -","- C344 H288 B8 F32 O8 P16 Rh8 -","8","2","OV3130","Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in propargylic CH activation","Acta Crystallographica Section C","2019","75","10","","","10.1107/S205322961901163X","","","0.71073","MoKα","","0.0473","0.0369","","","0.0925","0.1048","","","","","","1.066","","","","has coordinates,has Fobs","218906","2020-10-21","18:00:00",""
"2021781","11.3056","0.0003","12.8231","0.0004","14.6101","0.0004","83.286","0.001","74.695","0.001","72.262","0.001","1944.29","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","{Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}[η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-\ diene]rhodium(I) tetrafluoridoborate dichloromethane monosolvate","","- C45 H42 B Cl2 F4 O P2 Rh -","- C45 H42 B Cl2 F4 O P2 Rh -","- C90 H84 B2 Cl4 F8 O2 P4 Rh2 -","2","1","OV3130","Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in propargylic CH activation","Acta Crystallographica Section C","2019","75","10","","","10.1107/S205322961901163X","","","0.71073","MoKα","","0.0537","0.0452","","","0.1205","0.1274","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","218906","2020-10-21","18:00:00",""
"2021782","10.3662","0.0005","12.0008","0.0005","15.4693","0.0007","83.69","0.001","89.763","0.001","64.953","0.001","1730.97","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}chlorido(η^4^-norbornadiene)rhodium(I)","","- C43 H36 Cl O P2 Rh -","- C43 H36 Cl O P2 Rh -","- C86 H72 Cl2 O2 P4 Rh2 -","2","1","OV3130","Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in propargylic CH activation","Acta Crystallographica Section C","2019","75","10","","","10.1107/S205322961901163X","","","0.71073","MoKα","","0.0303","0.0258","","","0.0673","0.0721","","","","","","1.029","","","","has coordinates,has Fobs","218906","2020-10-21","18:00:00",""
"2021783","6.4074","0.0004","8.1772","0.0008","16.3291","0.0009","90","","99.241","0.005","90","","844.45","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methyl-7-(5-methylisoxazol-3-yl)cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane)","","- C16 H26 N2 O5 -","- C16 H26 N2 O5 -","- C32 H52 N4 O10 -","2","1","KU3248","Khalilov, Leonard M.; Mescheryakova, Ekaterina S.; Bikmukhametov, Kamil Sh.; Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Tulyabaev, Arthur R.","How the oxazole fragment influences the conformation of the tetraoxazocane ring in a cyclohexanespiro-3'-(1,2,4,5,7-tetraoxazocane): single-crystal X-ray and theoretical study","Acta Crystallographica Section C","2019","75","10","","","10.1107/S2053229619012592","","x-ray","0.71073","MoKα","","0.0763","0.0557","","","0.1176","0.1284","","","","","","1.029","","","","has coordinates,has Fobs","218907","2020-10-21","18:00:00",""
"2021784","12.7626","0.0004","6.92827","0.00014","19.7011","0.0004","90","","104.619","0.003","90","","1685.63","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metacetamol hemihydrate","<i>N</i>-(3-Hydroxyphenyl)acetamide hemihydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","CU3154","Zemtsova, Viktoria M.; Fedorov, Alexey Yu.; Fedorova, Elizaveta A.; Boa, Callum; Arkhipov, Sergey G.; Rychkov, Denis A.; Minkov, Vasily S.; Pulham, Colin R.; Boldyreva, Elena V.","A novel crystal form of metacetamol: the first example of a hydrated form","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619012981","","x-ray","0.71073","MoKα","","0.0778","0.0478","","","0.1064","0.1206","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","219107","2020-10-21","18:00:00",""
"2021785","24.372","0.0011","31.382","0.007","7.543","0.007","90","","90","","90","","5769","6","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","9,9-Bimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene","","- C37 H42 -","- C37 H42 -","- C296 H336 -","8","2","YP3194","Gupta, Sakuntala; Choudhury, Tanmay; Dmochowska, Ewelina; Kula, Przemyslaw; Borbone, Fabio; Centore, Roberto","Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013007","","x-ray","0.71073","MoKα","","0.0878","0.0546","","","0.1253","0.1407","","","","","","1.048","","","","has coordinates,has Fobs","219108","2020-10-21","18:00:00",""
"2021786","5.954","0.016","7.88","0.02","26.3","0.07","89.56","0.07","86.85","0.06","87.68","0.06","1231","6","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O3 -","- C32 H30 O3 -","- C64 H60 O6 -","2","1","FN3321","Vashchenko, Alexander; Smirnov, Vladimir; Semenova, Nadezhda; Schmidt, Elena","Unusual structure of a biphenyl fragment: the important role of weak interactions","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619012567","","","0.71073","MoKα","","0.0601","0.0484","","","0.1228","0.1311","","","","","","1.025","","","","has coordinates,has Fobs","219109","2020-10-21","18:00:00",""
"2021787","19.564","0.008","5.397","0.002","17.161","0.007","90","","90","","90","","1812","1.2","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Barium yttrium fluoridozirconate","","- Ba4 F23 Y Zr3 -","- Ba4 F23 Y Zr3 -","- Ba16 F92 Y4 Zr12 -","4","1","KU3252","Laval, Jean-Paul; Taoudi, Abdelkrim","Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013081","","","0.7107","MoKα","","0.0413","0.0281","","","0.0384","0.041","","","","","","1.031","","","","has coordinates,has Fobs","219110","2020-10-21","18:00:00",""
"2021788","8.6245","0.0003","9.5342","0.0004","11.7229","0.0005","78.332","0.002","77.789","0.002","66.341","0.002","855.5","0.06","150","2","150","","","","","","","","","4","P -1","-P 1","2","","Phenylselenium trichloride","","- C6 H5 Cl3 Se -","- C6 H5 Cl3 Se -","- C24 H20 Cl12 Se4 -","4","2","KY3190","Bloomfield, Hannah R.; Ritch, Jamie S.","A new polymorph of phenylselenium trichloride","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013019","","","0.71073","MoKα","","0.0484","0.0292","","","0.0466","0.0507","","","","","","1.053","","","","has coordinates","219111","2020-10-21","18:00:00",""
"2021789","10.404","0.003","13.969","0.004","16.226","0.004","113.317","0.004","104.231","0.004","90.973","0.004","2081.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-(1,2-phenylene)bis(pyridine-2-carboxamidato)-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']iron(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[bis(4,4'-bipyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)manganese(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","","- C42 H36 Cl Fe Mn N10 O8 -","- C42 H36 Cl Fe Mn N10 O8 -","- C84 H72 Cl2 Fe2 Mn2 N20 O16 -","2","1","YP3197","Lan, Wenlong; Zhou, Zhen; Li, Jie; Dou, Yong; Hao, Xiaoyun; Yang, Lu; Liu, Hui; Li, Dacheng; Liu, Qingyun; Zhang, Daopeng","A cyanide-bridged Fe^III^‒Mn^II^ heterobimetallic one-dimensional coordination polymer: synthesis, crystal structure, experimental and theoretical magnetism investigation","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013172","","","0.71073","MoKα","","0.1293","0.0594","","","0.1462","0.1768","","","","","","0.984","","","","has coordinates","219112","2020-10-21","18:00:00",""
"2021790","7.347","0.004","10.197","0.006","18.477","0.01","90","","90","","90","","1384.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1mo","(2<i>S</i>)-Methyl (<i>Z</i>)-5-(2-<i>tert</i>-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","YF3192","Wang, Ai; Englert, Ulli","Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering","Acta Crystallographica Section C Structural Chemistry","2019","75","11","","","10.1107/S2053229619012324","","","0.71073","MoKα","","0.0584","0.0512","","","0.1197","0.1236","","","","","","1.077","","","","has coordinates,has Fobs","219113","2020-10-21","18:00:00",""
"2021791","7.3731","0.0003","10.1909","0.0004","18.4972","0.0007","90","","90","","90","","1389.85","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1cu","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","YF3192","Wang, Ai; Englert, Ulli","Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering","Acta Crystallographica Section C Structural Chemistry","2019","75","11","","","10.1107/S2053229619012324","","","1.54178","CuKα","","0.0341","0.0315","","","0.0756","0.0771","","","","","","1.104","","","","has coordinates,has Fobs","219113","2020-10-21","18:00:00",""
"2021792","6.6108","0.0003","7.3958","0.0004","16.9678","0.0011","90","","90","","90","","829.59","0.08","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]","","- C6 H8 Mn N2 O4 S -","- C6 H8 Mn N2 O4 S -","- C24 H32 Mn4 N8 O16 S4 -","4","0.25","LG3241","Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw","Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine","Acta Crystallographica Section C","2019","75","11","","","10.1107/S205322961901180X","powder diffraction","x-ray","1.5418","CuKα","","0.0409","0.038","","0.0382","0.0379","","","","1.98","","","","","","","has coordinates,has Fobs","219176","2020-10-21","18:00:00",""
"2021793","7.0852","0.0007","7.2052","0.0007","16.431","0.002","90","","90","","90","","838.81","0.15","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]","","- C6 H8 Cu N2 O4 S -","- C6 H8 Cu N2 O4 S -","- C24 H32 Cu4 N8 O16 S4 -","4","0.5","LG3241","Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw","Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine","Acta Crystallographica Section C","2019","75","11","","","10.1107/S205322961901180X","powder diffraction","x-ray","1.5418","CuKα","","0.038","0.038","","0.0577","0.0577","","","","3.26","","","","","","","has coordinates,has Fobs","219176","2020-10-21","18:00:00",""
"2021794","9.9966","0.0012","9.9966","0.0012","7.9461","0.001","90","","90","","120","","687.68","0.15","120","2","120","2","","","","","","","","3","P 63 c m","P 6c -2","185","","2,4,6-Tricyclobutyl-1,3,5-trioxane","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","0.166667","KQ2025","Shorunov, Sergey V.; Bermeshev, Maxim V.; Demchuk, Dmitry V.; Nelyubina, Yulia V.","Synthesis and structure of 2,4,6-tricyclobutyl-1,3,5-trioxane","Acta Crystallographica Section E Crystallographic Communications","2019","75","11","1578","","10.1107/S205698901900896X","","","0.71073","MoKα","","0.0417","0.0406","","","0.107","0.1083","","","","","","1.026","","","","has coordinates","219178","2020-10-21","18:00:00",""
"2021795","34.5658","0.0016","9.3832","0.0004","12.5209","0.0006","90","","90","","90","","4061","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) chloride","","- C16 H36 Cl3 Fe N4 -","- C16 H36 Cl3 Fe N4 -","- C128 H288 Cl24 Fe8 N32 -","8","0.5","CU3157","Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013925","","","0.71073","MoKα","","0.0281","0.0249","","","0.0621","0.0637","","","","","","1.057","","","","has coordinates,has Fobs","219510","2020-10-21","18:00:00",""
"2021796","6.5569","0.0002","19.1663","0.0005","20.2946","0.0005","90","","95.3558","0.0015","90","","2539.32","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) tetrachloridoferrate","","- C16 H36 Cl6 Fe2 N4 -","- C16 H36 Cl6 Fe2 N4 -","- C64 H144 Cl24 Fe8 N16 -","4","1","CU3157","Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013925","","","1.54178","CuKα","","0.0357","0.0318","","","0.084","0.0858","","","","","","1.111","","","","has coordinates,has Fobs","219510","2020-10-21","18:00:00",""
"2021797","16.687","0.004","4.5071","0.0008","13.933","0.003","90","","114.21","0.03","90","","955.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-2,2'-biimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^)(μ~4~-cyanido-κ^4^<i>C</i>:<i>C</i>:<i>N</i>:<i>N</i>)(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicopper(I)]","","- C8 H6 Cu2 N6 -","- C8 H6 Cu2 N6 -","- C32 H24 Cu8 N24 -","4","0.5","YO3064","Qin, Ying-Lian; Sun, Hong; Jing, Yan; Jiang, Xiu-Ping; Wang, Gao-Feng; Qin, Jian-Fang","A novel three-dimensional copper(I) cyanide coordination polymer constructed from various bridging ligands: synthesis, crystal structure and characterization","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014025","","","0.71073","MoKα","","0.0681","0.0567","","","0.1562","0.1636","","","","","","1.213","","","","has coordinates,has disorder,has Fobs","219511","2020-10-21","18:00:00",""
"2021798","17.491","0.003","16.604","0.003","15.17","0.003","90","","101.362","0.002","90","","4319.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Bis[4-(diethylamino)benzylidene]cyclobutanone","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C208 H256 N16 O8 -","8","2","YP3195","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014360","","","0.71073","MoKα","","0.055","0.0465","","","0.1241","0.1314","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","220535","2020-10-21","18:00:00",""
"2021799","13.064","0.0017","13.3132","0.0017","14.9575","0.0019","78.53","0.001","66.274","0.002","71.554","0.002","2251.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[4-(diethylamino)benzylidene]cyclopentanone","","- C27 H34 N2 O -","- C27 H34 N2 O -","- C108 H136 N8 O4 -","4","2","YP3195","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014360","","","0.71073","MoKα","","0.0554","0.0452","","","0.1225","0.1307","","","","","","1.031","","","","has coordinates,has Fobs","220535","2020-10-21","18:00:00",""
"2021800","11.224","0.008","13.874","0.01","16.93","0.012","87.69","0.02","77.11","0.016","67.445","0.014","2370","3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis[4-(diethylamino)benzylidene]cyclohexanone","","- C28 H36 N2 O -","- C28 H36 N2 O -","- C112 H144 N8 O4 -","4","2","YP3195","Bogdanov, Georgii; Tillotson, John P.; Khrustalev, Victor N.; Rigin, Sergei; Timofeeva, Tatiana V.","Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014360","","","0.71073","MoKα","","0.0971","0.0608","","","0.1446","0.1661","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","220535","2020-10-21","18:00:00",""
"2021801","13.9075","0.0011","5.1543","0.0005","18.801","0.0016","90","","97.772","0.008","90","","1335.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1215","0.078","","","0.2039","0.2406","","","","","","0.973","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021802","15.611","0.005","3.8414","0.0009","21.974","0.007","90","","90.74","0.03","90","","1317.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1488","0.0667","","","0.1172","0.1501","","","","","","0.904","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021803","3.9158","0.0008","17.717","0.003","18.832","0.003","90","","94.67","0.016","90","","1302.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1359","0.0714","","","0.1557","0.1918","","","","","","0.945","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021804","3.7788","0.0009","9.9655","0.0017","16.899","0.003","90","","93.466","0.019","90","","635.2","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C32 H18 N6 O6 -","2","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.1015","0.0785","","","0.1858","0.2095","","","","","","1.004","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021805","20.931","0.002","3.7708","0.0005","16.0887","0.0015","90","","90","","90","","1269.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-one","","- C16 H9 N3 O3 -","- C16 H9 N3 O3 -","- C64 H36 N12 O12 -","4","1","FN3326","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2<i>H</i>-chromen-2-ones","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619014256","","","0.71073","MoKα","","0.0803","0.0566","","","0.1203","0.1326","","","","","","0.957","","","","has coordinates,has Fobs","220536","2020-10-21","18:00:00",""
"2021813","13.8999","0.0007","18.0445","0.0011","14.4096","0.0008","90","","99.568","0.002","90","","3563.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){μ~3~-5-[(4-carboxylatophenoxy)methyl]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^}(μ-formato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')dicadmium(II)] monohydrate]","","- C37 H30 Cd2 N4 O11 -","- C37 H30 Cd2 N4 O11 -","- C148 H120 Cd8 N16 O44 -","4","1","QF3036","He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na","Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties","Acta Crystallographica Section C Structural Chemistry","2019","75","12","","","10.1107/S2053229619014633","","","0.71073","MoKα","","0.0393","0.028","","","0.0596","0.0642","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","227691","2020-10-21","18:00:00",""
"2021814","9.9758","0.0006","10.529","0.0007","13.7445","0.0009","91.623","0.004","108.25","0.003","116.694","0.003","1200.37","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){μ~3~-5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^}manganese(II)] sesquihydrate]","","- C52 H42 Mn2 N4 O17 -","- C52 H42 Mn2 N4 O17 -","- C52 H42 Mn2 N4 O17 -","1","0.5","QF3036","He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na","Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties","Acta Crystallographica Section C Structural Chemistry","2019","75","12","","","10.1107/S2053229619014633","","","0.71073","MoKα","","0.0665","0.0516","","","0.1491","0.1604","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","227691","2020-10-21","18:00:00",""
"2021815","10.8248","0.001","21.331","0.002","13.546","0.0015","90","","94.595","0.003","90","","3117.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(2-amino-4-sulfonatobenzoato-κ<i>O</i>^1^)tetraaquatris{μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dicobalt(II)] tetrahydrate]","","- C28 H34 Co N7 O9 S -","- C28 H34 Co N7 O9 S -","- C112 H136 Co4 N28 O36 S4 -","4","1","YF3197","Zhang, Chong; Zhang, Qing-Hong; Zhang, Kou-Lin","Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane-like cobalt(II)‒organic framework","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014669","","","0.71073","MoKα","","0.0717","0.04","","","0.0824","0.0928","","","","","","1.015","","","","has coordinates,has Fobs","227692","2020-10-21","18:00:00",""
"2021816","18.804","0.005","5.792","0.002","24.523","0.006","90","","92.57","0.03","90","","2668.2","1.3","100","0.11","100","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>DL</i>-Phenylglycinium trifluoromethanesulfonate monohydrate","","- C9 H12 F3 N O6 S -","- C9 H12 F3 N O6 S -","- C72 H96 F24 N8 O48 S8 -","8","1","JX3047","Wołoszyn, Łukasz; Ilczyszyn, Maria M.; Kinzhybalo, Vasyl","The dehydration process in the <small>DL</small>-phenylglycinium trifluoromethanesulfonate monohydrate crystal revealed by XRD, vibrational and DSC studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014402","","x-ray","0.71073","MoKα","","0.0739","0.056","","","0.1442","0.1526","","","","","","1.039","","","","has coordinates,has Fobs","227693","2020-10-21","18:00:00",""
"2021817","10.485","0.004","10.635","0.004","13.734","0.005","104.79","0.03","98.04","0.03","118.07","0.03","1244.4","1","373","2","373.15","","","","","","","","","6","P -1","-P 1","2","","<i>DL</i>-Phenylglycinium trifluoromethanesulfonate","","- C9 H10 F3 N O5 S -","- C9 H10 F3 N O5 S -","- C36 H40 F12 N4 O20 S4 -","4","2","JX3047","Wołoszyn, Łukasz; Ilczyszyn, Maria M.; Kinzhybalo, Vasyl","The dehydration process in the <small>DL</small>-phenylglycinium trifluoromethanesulfonate monohydrate crystal revealed by XRD, vibrational and DSC studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014402","","x-ray","0.71073","MoKα","","0.204","0.092","","","0.2124","0.2743","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","227693","2020-10-21","18:00:00",""
"2021818","27.7272","0.0015","15.8769","0.0009","19.7083","0.0019","90","","132.525","0.0015","90","","6394.1","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^:<i>O</i>^5^}bis(1,10-phenanthroline)trinickel(II)] dimethylformamide 1.5-solvate trihydrate]","","- C70.5 H58.5 N5.5 Ni3 O22.5 -","- C66 H42 N4 Ni3 O18 -","- C264 H168 N16 Ni12 O72 -","4","0.5","KY3186","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014451","","","0.71073","MoKα","","0.0808","0.0513","","","0.1048","0.1151","","","","","","1.014","","","","has coordinates,has Fobs","227694","2020-10-21","18:00:00",""
"2021819","27.9723","0.0008","15.9725","0.0005","19.7372","0.001","90","","132.662","0.0007","90","","6484.7","0.4","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^3^:<i>O</i>^5^:<i>O</i>^5'^}bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tricobalt(II)] diethylamine disolvate tetrahydrate]","","- C70 H64 Co3 N6 O22 -","- C66 H42 Co3 N4 O18 -","- C264 H168 Co12 N16 O72 -","4","0.5","KY3186","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014451","","","0.71073","MoKα","","0.05","0.0372","","","0.0927","0.0984","","","","","","1.044","","","","has coordinates,has Fobs","227694","2020-10-21","18:00:00",""
"2021820","9.012","0.002","10.866","0.003","15.755","0.004","89.462","0.008","74.554","0.007","66.57","0.007","1356.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-(3-carboxyphenoxy)-3,3'-oxydibenzoato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C33 H22 N2 O9 Zn -","- C33 H22 N2 O9 Zn -","- C66 H44 N4 O18 Zn2 -","2","1","KY3186","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014451","","","0.71073","MoKα","","0.0758","0.043","","","0.0823","0.092","","","","","","1.015","","","","has coordinates,has Fobs","227694","2020-10-21","18:00:00",""
"2021821","5.89632","0.00018","6.0225","0.0002","6.0147","0.0002","86.454","0.004","87.276","0.004","70.898","0.003","201.354","0.012","298","","298","","","","","","","","","5","P -1","-P 1","2","Magnesium chloride hexadeuterate","Magnesium chloride hexadeuterate","","- Cl2 D11.52 H0.48 Mg O6 -","- Cl2 D11.52 H0.48 Mg O6 -","- Cl2 D11.52 H0.48 Mg O6 -","1","0.5","LG3249","Yamashita, Keishiro; Komatsu, Kazuki; Hattori, Takanori; Machida, Shinichi; Kagi, Hiroyuki","Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by <i>in-situ</i> X-ray and neutron diffraction methods","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014670","powder diffraction","neutron","","neutron","","","","","","","","","","2.8","","","","","","","has coordinates,has Fobs","227695","2020-10-21","18:00:00",""
"2021822","5.7639","0.0014","5.9218","0.0002","5.9806","0.0012","84.68","0.04","86.72","0.06","70.99","0.04","192.09","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- Cl2 H12 Mg O6 -","- Cl2 Mg O6 -","- Cl2 Mg O6 -","1","0.5","LG3249","Yamashita, Keishiro; Komatsu, Kazuki; Hattori, Takanori; Machida, Shinichi; Kagi, Hiroyuki","Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by <i>in-situ</i> X-ray and neutron diffraction methods","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014670","","","0.7107","MoKα","","0.062","0.062","","","","0.2034","","","","","","1.006","","","","has coordinates,has Fobs","227695","2020-10-21","18:00:00",""
"2021823","10.043","0.002","11.036","0.002","21.159","0.004","75.991","0.003","77.963","0.003","71.388","0.003","2134.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate","","","- C48 H40 As2 F6 O2 Tc -","- C48 H40 As2 F6 O2 Tc -","- C96 H80 As4 F12 O4 Tc2 -","2","1","DG3001","Balasekaran, Samundeeswari Mariappan; Poineau, Frederic","Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation, structure and spectroscopic analysis","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619014724","","","0.71073","MoKα","","0.0278","0.0241","","","0.0593","0.0608","","","","","","1.069","","","","has coordinates,has Fobs","227865","2020-10-21","18:00:00",""
"2021824","8.1413","0.0007","19.3495","0.0017","9.9395","0.0007","90","","97.44","0.008","90","","1552.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyanobenzyl)-4,4'-bipyridin-1-ium chloride","","- C18 H14 Cl N3 -","- C18 H14 Cl N3 -","- C72 H56 Cl4 N12 -","4","1","LF3103","Zhang, Yan; Li, Mei; Li, Shi-Li; Zhang, Xian-Ming","The photochromic behaviour of two viologen salts modulated by the distances between the halide anions and the cationic N atoms of viologen","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015225","","x-ray","1.54184","CuKα","","0.0627","0.0462","","","0.1196","0.1378","","","","","","1.031","","","","has coordinates,has Fobs","232463","2020-10-21","18:00:00",""
"2021825","8.2921","0.0003","18.943","0.001","10.2348","0.0004","90","","97.849","0.004","90","","1592.59","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Cyanobenzyl)-4,4'-bipyridin-1-ium bromide","","- C18 H14 Br N3 -","- C18 H14 Br N3 -","- C72 H56 Br4 N12 -","4","1","LF3103","Zhang, Yan; Li, Mei; Li, Shi-Li; Zhang, Xian-Ming","The photochromic behaviour of two viologen salts modulated by the distances between the halide anions and the cationic N atoms of viologen","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015225","","x-ray","1.54184","CuKα","","0.0555","0.0436","","","0.1075","0.117","","","","","","1.071","","","","has coordinates,has Fobs","232463","2020-10-21","18:00:00",""
"2021826","10.6765","0.0006","28.819","0.003","6.8163","0.0004","90","","104.395","0.005","90","","2031.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrophenol‒1,3,5,7-tetraazatricyclo[3.3.1.1^3,7^]decane‒water (2:1:1)","","- C18 H24 N6 O7 -","- C18 H24 N6 O7 -","- C72 H96 N24 O28 -","4","1","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0686","0.0568","","","0.1307","0.136","","","","","","1.238","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2021827","7.2053","0.0007","25.253","0.002","6.5134","0.0006","90","","120.939","0.006","90","","1016.52","0.17","173","2","173","2","","","","","","","","4","C 1 m 1","C -2y","8","","3-Nitrophenol‒1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (2:1)","","- C19 H24 N6 O6 -","- C19 H24 N6 O6 -","- C38 H48 N12 O12 -","2","0.5","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0457","0.0391","","","0.0911","0.0937","","","","","","1.049","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2021828","26.159","0.003","6.4931","0.0004","12.807","0.0014","90","","106.338","0.008","90","","2087.5","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Nitrophenol‒1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (2:1)","","- C20 H26 N6 O6 -","- C20 H26 N6 O6 -","- C80 H104 N24 O24 -","4","1","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0393","0.0362","","","0.0853","0.0867","","","","","","1.082","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2021829","9.5941","0.0005","14.9735","0.0005","10.7212","0.0005","90","","105.719","0.005","90","","1482.58","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-3-[(Carboxylatomethyl)sulfanyl]-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-4-ido-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>O</i>}bis[aqua(methanol-κ<i>O</i>)cobalt(II)] methanol disolvate","","- C11 H16 Co N4 O5 S -","- C11 H16 Co N4 O5 S -","- C44 H64 Co4 N16 O20 S4 -","4","1","YP3199","Fang, Zi-Yi; Zhang, Li; Ma, Jian-Ping; Zhao, Long; Wang, Shi-Ling; Xie, Nan-Hua; Liu, Yi-Qin; Guo, Xiao-Ying; Qin, Jie","Dinuclear cobalt and nickel complexes of a mercaptoacetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015602","","x-ray","0.71073","MoKα","","0.055","0.0378","","","0.0919","0.0997","","","","","","1.061","","","","has coordinates,has Fobs","242989","2020-10-21","18:00:00",""
"2021830","25.9178","0.0006","25.9178","0.0006","9.4186","0.0003","90","","90","","90","","6326.8","0.3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","{μ-3-[(Carboxylatomethyl)sulfanyl]-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-4-ido-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>O</i>}bis[diaquanickel(II)] methanol disolvate dihydrate","","- C10 H16 N4 Ni O6 S -","- C10 H16 N4 Ni O6 S -","- C160 H256 N64 Ni16 O96 S16 -","16","1","YP3199","Fang, Zi-Yi; Zhang, Li; Ma, Jian-Ping; Zhao, Long; Wang, Shi-Ling; Xie, Nan-Hua; Liu, Yi-Qin; Guo, Xiao-Ying; Qin, Jie","Dinuclear cobalt and nickel complexes of a mercaptoacetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015602","","x-ray","1.54184","CuKα","","0.041","0.0335","","","0.0809","0.0864","","","","","","1.024","","","","has coordinates,has Fobs","242989","2020-10-21","18:00:00",""
"2021831","20.8602","0.0003","8.76477","0.00012","34.5299","0.0007","90","","90","","90","","6313.27","0.18","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate dihydrate","","- C34 H32 Cl2 N2 O8 -","- C34 H32 Cl2 N2 O8 -","- C272 H256 Cl16 N16 O64 -","8","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0565","0.0427","","","0.1082","0.1189","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021832","24.0513","0.0003","7.23787","0.00008","37.2921","0.0004","90","","93.1167","0.001","90","","6482.21","0.13","114","5","114","5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate dichloromethane hemisolvate dihydrate","","- C34.5 H33 Cl3 N2 O8 -","- C34.5 H33 Cl3 N2 O8 -","- C276 H264 Cl24 N16 O64 -","8","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0356","0.0327","","","0.0823","0.0846","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021833","8.15748","0.00018","15.9353","0.0003","25.4325","0.0005","90","","93.9667","0.0018","90","","3298.1","0.12","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate ethanol monosolvate","","- C36 H34 Cl2 N2 O7 -","- C36 H34 Cl2 N2 O7 -","- C144 H136 Cl8 N8 O28 -","4","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0604","0.0478","","","0.1248","0.1362","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021834","20.8841","0.0007","7.44641","0.00019","21.5399","0.0007","90","","110.049","0.004","90","","3146.71","0.19","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate methanol monosolvate","","- C35 H32 Cl2 N2 O7 -","- C35 H32 Cl2 N2 O7 -","- C140 H128 Cl8 N8 O28 -","4","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0604","0.0426","","","0.11","0.1233","","","","","","1.027","","","","has coordinates,has Fobs","242991","2020-10-21","18:00:00",""
"2021835","8.1183","0.0003","13.7384","0.0006","15.0469","0.0006","97.102","0.004","97.62","0.003","91.886","0.003","1648.56","0.12","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate methanol disolvate","","- C36 H36 Cl2 N2 O8 -","- C36 H36 Cl2 N2 O8 -","- C72 H72 Cl4 N4 O16 -","2","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0609","0.0496","","","0.1343","0.1459","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021836","9.29","0.012","11.228","0.014","18","0.02","95.133","0.017","97.423","0.017","100.66","0.017","1817","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,16-Dibenzyl-1λ^5^,5,9,12λ^5^,16,20-hexaazatricyclo[18.2.1.1^9,12^]tetracosa-1(23),10,12(24),21-tetraene-1,12-diium bis(hexafluorophosphate)","","- C32 H44 F12 N6 P2 -","- C32 H44 F12 N6 P2 -","- C64 H88 F24 N12 P4 -","2","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.1125","0.056","","","0.134","0.1591","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","242994","2020-10-21","18:00:00",""
"2021837","10.3943","0.0004","13.6413","0.0006","15.8517","0.0007","91.6088","0.0018","95.5859","0.0019","110.427","0.0016","2091.66","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](5,16-dibenzyl-1,5,9,12,16,20-hexaazatricyclo[18.2.1.1^9,12^]tetracosa-10,21-dien-21,22-diylidene)iridium(I) bromide dichloromethane monosolvate","","- C41 H56 Br Cl2 Ir N6 O -","- C40 H54 Br Ir N6 -","- C80 H108 Br2 Ir2 N12 -","2","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.0544","0.0522","","","0.1777","0.1797","","","","","","1.05","","","","has coordinates,has Fobs","242994","2020-10-21","18:00:00",""
"2021838","12.6186","0.0005","27.239","0.0011","30.2461","0.0011","90","","90","","90","","10396.1","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-5,20-dibenzyl-1,5,9,16,20,24-hexaazapentacyclo[22.6.1.1^9,16^.0^10,15^.0^25,30]dotriaconta-10(15),11,13,25(30),26,28-hexaene-31,32-diylidene]bis{bromido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)}","","- C56 H70 Br2 Ir2 N6 -","- C56 H70 Br2 Ir2 N6 -","- C448 H560 Br16 Ir16 N48 -","8","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.1057","0.0774","","","0.2145","0.2369","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","242994","2020-10-21","18:00:00",""
"2021839","11.887","0.0005","12.2535","0.0005","27.7511","0.0011","90","","90","","90","","4042.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Spiro[fench-2,2'-(2,3-dihydro-1<i>H</i>-quinazolin-4-one)]","(1<i>R</i>,2<i>S</i>,4<i>S</i>)-1,3,3-Trimethyl-1'<i>H</i>-spiro[bicyclo[2.2.1]heptane-2,2'-quinazolin]-4'(3'<i>H</i>)-one","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C136 H176 N16 O8 -","8","2","VP3001","Chernyshov, Vladimir V.; Gatilov, Yuri V.; Yarovaya, Olga I.; Koskin, Igor P.; Yarovoy, Spartak S.; Brylev, Konstantin A.; Salakhutdinov, Nariman F.","The first example of the stereoselective synthesis and crystal structure of a spirobicycloquinazolinone based on (‒)-fenchone and anthranilamide","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015766","","","0.71073","MoKα","","0.0845","0.0542","","","0.1599","0.1777","","","","","","1.042","","","","has coordinates,has Fobs","243776","2020-10-21","18:00:00",""
"2021840","16.2511","0.0014","11.612","0.0011","20.2609","0.0018","90","","124.02","0.005","90","","3169","0.5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[diaqiabis(μ-4,4'-bipyridine)bis{μ~3~-5-[(2-carboxyphenoxy)methyl]isophthalato}tricadmium(III)] dimethylformamide monosolvate 2.5-hydrate]","","- C58 H62 Cd3 N6 O23 -","- C52 H38 Cd3 N4 O16 -","- C104 H76 Cd6 N8 O32 -","2","0.5","","Yu, Yu'e; Chen, Yuqian; Mi, Xiuna; Wang, Suna; Lu, Jing","A novel (3,6)-connected Cd^II^ coordination polymer based on an ether-linked tricarboxylate ligand: synthesis, topology and luminescence sensing properties in aqueous solution","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015560","","","0.71073","MoKα","","0.1074","0.0694","","","0.1652","0.1791","","","","","","1.017","","","","has coordinates,has Fobs","243777","2020-10-21","18:00:00",""
"2021841","11.4608","0.0015","5.3791","0.0009","26.74","0.004","90","","91.457","0.012","90","","1648","0.4","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","4-(Pyridin-2-yl)pyrimidin-2-amine","","- C9 H8 N4 -","- C9 H8 N4 -","- C72 H64 N32 -","8","1","KY3191","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Garcia, Esteban; Tenorio, Juan-C.; Ellena, Javier","Synthesis, spectroscopic (FT‒IR and UV‒Vis), crystallographic and theoretical studies, and amolecular docking simulation of an imatinib-like template","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015523","","","0.71073","MoKα","","0.0711","0.0462","","","0.114","0.1341","","","","","","1.032","","","","has coordinates,has Fobs","243778","2020-10-21","18:00:00",""
"2021842","9.6124","0.0006","9.7864","0.0008","12.7314","0.001","96.787","0.006","110.599","0.006","93.325","0.006","1106.82","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[copper(I)-di-μ-iodido-copper(I)-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)] 1,4-dioxane monosolvate]","","- C38 H34 Cu2 I2 N10 O4 -","- C38 H34 Cu2 I2 N10 O4 -","- C38 H34 Cu2 I2 N10 O4 -","1","0.5","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0817","0.0756","","","0.2149","0.2242","","","","","","1.042","","","","has coordinates","243812","2020-10-21","18:00:00",""
"2021843","9.4532","0.0003","14.9309","0.0005","15.8386","0.0006","108.975","0.003","99.904","0.003","104.901","0.003","1961.42","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[dinitratocopper(II)]-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)]‒methanol‒water (1/1/0.65)]","","- C36 H35.3 Cd N12 O10.65 -","- C36 H35.3 Cd N12 O10.65 -","- C72 H70.6 Cd2 N24 O21.3 -","2","1","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0437","0.0398","","","0.1091","0.1117","","","","","","1.105","","","","has coordinates,has disorder","243812","2020-10-21","18:00:00",""
"2021844","5.1714","0.0003","22.8649","0.0014","8.0202","0.0005","90","","92.875","0.006","90","","947.14","0.1","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[silver(I)-μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole] hexafluoridophosphate]","","- C17 H13 Ag F6 N5 O P -","- C17 H13 Ag F6 N5 O P -","- C34 H26 Ag2 F12 N10 O2 P2 -","2","1","YP3198","Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping","Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015663","","x-ray","1.54184","CuKα","","0.0571","0.0511","","","0.1289","0.1349","","","","","","1.03","","","","has coordinates","243812","2020-10-21","18:00:00",""
"2021853","17.3128","0.0009","17.3128","0.0009","10.6019","0.0009","90","","90","","120","","2752","0.3","293","","293","","0.69","","","","","","","6","R -3 :H","-R 3","148","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.424 Pb -","- C1.00005 I3 N1.00005 Ne0.42345 Pb -","- C12.0006 I36 N12.0006 Ne5.0814 Pb12 -","12","0.666667","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.0917","0.0695","","","0.0691","0.0776","","","","2.2","2.2","1.69","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021854","17.0325","0.0009","17.0325","0.0009","10.4338","0.0005","90","","90","","120","","2621.4","0.2","293","","293","","1.5","","","","","","","6","R -3 :H","-R 3","148","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.601 Pb -","- C1.00005 I3 N1.00005 Ne0.60075 Pb -","- C12.0006 I36 N12.0006 Ne7.209 Pb12 -","12","0.666667","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.0716","0.0488","","","0.0519","0.0591","","","","1.94","1.94","1.73","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021855","16.7757","0.0009","16.7757","0.0009","10.2267","0.0005","90","","90","","120","","2492.5","0.2","293","","293","","2.69","","","","","","","6","R -3 :H","-R 3","148","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.91 Pb -","- C1.00005 I3 N1.00005 Ne0.9105 Pb -","- C12.0006 I36 N12.0006 Ne10.926 Pb12 -","12","0.666667","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1045","0.0841","","","0.0804","0.0828","","","","2.9","2.9","2.27","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021856","11.435","0.003","11.437","0.003","11.442","0.003","90","","90","","90","","1496.4","0.7","293","","293","","4.56","","","","","","","6","I m 2 m","I -2 -2","44","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne1.098 Pb -","- C0.5 I3 N0.5 Ne1.09825 Pb -","- C4 I24 N4 Ne8.786 Pb8 -","8","1","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.232","0.0578","","","0.0476","0.0727","","","","1.07","1.07","0.88","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021857","11.196","0.003","11.197","0.003","11.201","0.003","90","","90","","90","","1404.2","0.7","293","","293","","7.4","","","","","","","5","I m 2 m","I -2 -2","44","Ne-MAPbI3","neon methylammonium lead iodide","","- C0.25 I3 N0.25 Ne1.412 Pb -","- C0.25 I3 N0.25 Ne1.5 Pb -","- C2 I24 N2 Ne12 Pb8 -","8","1","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1463","0.0566","","","0.0517","0.0681","","","","1","1","0.87","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021858","10.701","0.005","10.701","0.005","10.622","0.005","90","","90","","90","","1216.3","1","293","","293","","16.43","","","","","","","3","I 4/m m m","-I 4 2","139","Ne-MAPbI3","neon lead iodide","","- I3 Ne2.166 Pb -","- I3 Ne2.1659 Pb -","- I24 Ne17.3272 Pb8 -","8","0.25","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1545","0.051","","","0.0429","0.0573","","","","2.17","2.17","1.44","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021859","10.538","0.005","10.538","0.005","10.379","0.005","90","","90","","90","","1152.6","1","293","","293","","20.27","","","","","","","3","I 4/m m m","-I 4 2","139","Ne-MAPbI3","neon lead iodide","","- I3 Ne2.5 Pb -","- I2.75 Ne2.5 Pb -","- I22 Ne20 Pb8 -","8","0.25","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1264","0.0432","","","0.045","0.0579","","","","2.67","2.67","1.52","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021860","8.876","0.001","8.876","0.001","12.672","0.001","90","","90","","90","","998.34","0.18","293","","293","","","","","","","","Decompressed crystal taken at ambient conditions in 4 weeks after exposure at P = 20.27 GPa within the Ne pressure transmitting media","6","I 4 2 2","I 4 2","97","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.973 Pb -","- C H6 I3 N Ne0.973 Pb -","- C4 H24 I12 N4 Ne3.892 Pb4 -","4","0.25","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","x-ray","0.7153","synchrotron","","0.0492","0.035","","","0.0469","0.049","","","","1.92","1.92","1.73","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021861","8.85","0.005","8.85","0.005","12.52","0.005","90","","90","","90","","980.6","0.9","293","","293","","","","","","","","","6","P 42 b c","P 4c -2ab","106","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar0.756 I3 N Pb -","- C Ar0.756 I3 N Pb -","- C4 Ar3.024 I12 N4 Pb4 -","4","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1025","0.0485","","","0.0537","0.0728","","","","1.75","1.75","1.44","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021862","8.7468","0.0015","8.7468","0.0015","12.398","0.001","90","","90","","90","","948.5","0.2","293","","293","","0.49","","","","","","","6","P 42 b c","P 4c -2ab","106","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar I3 N Pb -","- C Ar I3 N Pb -","- C4 Ar4 I12 N4 Pb4 -","4","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1263","0.0679","","","0.0645","0.0858","","","","2.12","2.12","1.8","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021863","8.7222","0.0015","8.7222","0.0015","11.9979","0.0015","90","","90","","90","","912.8","0.2","293","","293","","","","","","","","","6","P 42 b c","P 4c -2ab","106","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar1.337 I3 N Pb -","- C Ar1.34 I3 N Pb -","- C4 Ar5.36 I12 N4 Pb4 -","4","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1968","0.0787","","","0.0789","0.1149","","","","2.45","2.45","1.82","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021864","12.1294","0.0012","12.1415","0.0012","12.1734","0.0015","90","","90","","90","","1792.8","0.3","293","","293","","","","","","","","","6","I m m m","-I 2 2","71","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar1.4 I3 N Pb -","- C Ar1.4005 I3 N Pb -","- C8 Ar11.204 I24 N8 Pb8 -","8","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1469","0.0859","","","0.0893","0.1083","","","","1.96","1.96","1.4","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021865","12.0192","0.001","12.0195","0.001","12.0213","0.001","90","","90","","90","","1736.7","0.3","293","","293","","2.1","","","","","","","6","I m m m","-I 2 2","71","Ar-MAPbI3","argon methylammonium lead iodide","","- C0.5 H6 Ar1.781 I3 N1.5 Pb -","- C Ar1.7805 I3 N Pb -","- C8 Ar14.244 I24 N8 Pb8 -","8","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1891","0.0841","","","0.0788","0.1238","","","","1.39","1.39","1.01","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021866","11.9","0.001","11.99","0.001","11.92","0.001","90","","90","","90","","1700.8","0.2","293","","293","","2.39","","","","","","","6","I m m m","-I 2 2","71","Ar-MAPbI3","argon methylammonium lead iodide","","- C H6 Ar1.75 I3 N Pb -","- C Ar1.75 I3 N Pb -","- C8 Ar14 I24 N8 Pb8 -","8","0.5","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.2353","0.0662","","","0.0632","0.1442","","","","2.11","2.11","1.08","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021919","8.8782","0.0013","6.9117","0.001","16.398","0.002","90","","98.288","0.006","90","","995.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","","Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab","Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","1","71","","10.1107/S2052520618017109","","","0.71073","MoKα","","0.0823","0.0462","","","0.1083","0.118","","","","","","1.06","","","","has coordinates","246120","2020-10-21","18:00:00",""
"2021920","9.8303","0.0009","5.4679","0.0005","19.2479","0.0017","90","","102.417","0.005","90","","1010.4","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 F2 N4 -","- C12 H2 F2 N4 -","- C48 H8 F8 N16 -","4","1","","Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab","Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","1","71","","10.1107/S2052520618017109","","","0.71073","MoKα","","0.0798","0.0509","","","0.111","0.124","","","","","","1.045","","","","has coordinates","246120","2020-10-21","18:00:00",""
"2021921","10.1713","0.0019","5.867","0.0012","8.8512","0.0017","90","","106.969","0.007","90","","505.2","0.17","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H2 F2 N4 -","- C12 H2 F2 N4 -","- C24 H4 F4 N8 -","2","0.25","","Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab","Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","1","71","","10.1107/S2052520618017109","","","0.71073","MoKα","","0.0622","0.0469","","","0.1018","0.1091","","","","","","1.095","","","","has coordinates","246120","2020-10-21","18:00:00",""
"2021922","9.1905","0.0018","8.0558","0.0017","14.564","0.003","90","","90","","90","","1078.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 F4 N4 -","- C12 F4 N4 -","- C48 F16 N16 -","4","0.5","","Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab","Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","1","71","","10.1107/S2052520618017109","","","0.71073","MoKα","","0.1403","0.0708","","","0.1147","0.133","","","","","","1.119","","","","has coordinates","246120","2020-10-21","18:00:00",""
"2021923","19.8403","0.0007","6.3303","0.0002","19.0314","0.0007","90","","90","","90","","2390.25","0.14","243","2","243","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1, 2 diammonium penta-chloro bismuthate [(NH3)2(CH2)3]BiCl5","","","- C3 H12 Bi Cl5 N2 -","- C3 H12 Bi Cl5 N2 -","- C24 H96 Bi8 Cl40 N16 -","8","2","RA5062","Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.; Gamal, Wafia M.; Abdel-Kader, Mohamed; Ayoub, Hany S.; El-Sherif, Ashraf F.; Kandeel, M. F.; Bozhko, S.; Yakimov, E. E.; Yakimov, E. B.","Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","5","880","","10.1107/S2052520619011314","","x-ray","0.71073","MoKα","","0.0315","0.0226","","","0.0393","0.0416","","","","","","1.051","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2021944","10.645","0.003","19.161","0.009","11.503","0.003","90","","93.75","0.02","90","","2341.2","1.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-Pms-Acp-(<i>S</i>)-Pms-Acp-(<i>S</i>)-Pms-Acp-NMe~2~","","- C49 H61 N5 O9 -","- C49 H61 N5 O9 -","- C98 H122 N10 O18 -","2","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1376","0.0754","","","0.1893","0.2175","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021945","10.388","0.004","12.756","0.006","21.624","0.005","90","","93.55","0.03","90","","2859.9","1.9","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-Pms-Aib-(<i>S</i>)-Pms-Aib-NMe~2~","","- C28 H37 N3 O6 -","- C28 H37 N3 O6 -","- C112 H148 N12 O24 -","4","2","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1219","0.0522","","","0.1231","0.1485","","","","","","1.035","","","","has coordinates,has Fobs","246413","2020-10-21","18:00:00",""
"2021946","9.937","0.005","18.319","0.007","16.436","0.003","90","","90.19","0.03","90","","2992","2","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>S</i>,<i>R</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~/(<i>R</i>,<i>S</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~ (1:1)","","- C32 H41 N3 O6 -","- C32 H41 N3 O6 -","- C128 H164 N12 O24 -","4","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1365","0.0695","","","0.174","0.2045","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021947","18.922","0.005","18.3","0.003","8.072","0.006","90","","90","","90","","2795","2","173","1","173","1","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>R</i>,<i>S</i>)-Mns-Acp-(<i>S</i>,<i>R</i>)-Mns-Acp-NMe~2~","","- C30 H37 N3 O6 -","- C30 H37 N3 O6 -","- C120 H148 N12 O24 -","4","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1567","0.0551","","","0.1245","0.1609","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2022635","13.2752","0.0002","25.1602","0.0004","11.1166","0.0002","90","","104.256","0.001","90","","3598.68","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(4,5-diphenyl-1<i>H</i>-imidazol-2-yl)-4-nitrophenolato]copper(II) dihydrate","","- C42 H32 Cu N6 O8 -","- C42 H32 Cu N6 O8 -","- C168 H128 Cu4 N24 O32 -","4","1","HB7859","Chettri, Sailesh; Brahman, Dhiraj; Sinha, Biswajit; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenolato]copper(II) dihydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E: Crystallographic Communications","2019","75","11","1664","1671","10.1107/S2056989019013720","","","1.54178","CuKα","","0.0549","0.0468","","","0.1221","0.1283","","","","","","1.049","","","","has coordinates,has Fobs","276695","2022-07-06","21:39:02",""
"2108353","9.797","0.003","10.56","0.003","10.656","0.003","87.528","0.01","69.844","0.008","87.528","0.009","1033.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N8 Se6 -","- C38 H42 N8 Se6 -","- C38 H42 N8 Se6 -","1","0.5","","Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc","Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs","Acta Crystallographica Section B","2019","75","1","34","38","10.1107/S2052520618017778","","x-ray","0.71073","MoKα","","0.087","0.0407","","","0.0787","0.0923","","","","","","1.002","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2108354","10.008","0.002","10.4345","0.0019","10.76","0.002","93.538","0.005","117.528","0.005","95.282","0.005","985.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N6 O2 Se6 -","- C36 H34 N6 O2 Se6 -","- C36 H34 N6 O2 Se6 -","1","0.5","","Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc","Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs","Acta Crystallographica Section B","2019","75","1","34","38","10.1107/S2052520618017778","","x-ray","0.71073","MoKα","","0.1368","0.0538","","","0.114","0.1404","","","","","","1.003","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2108355","10.187","0.003","10.415","0.002","11.232","0.003","75.891","0.008","82.213","0.009","61.753","0.008","1017.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N8 O4 Se6 -","- C36 H34 N8 O4 Se6 -","- C36 H34 N8 O4 Se6 -","1","0.5","","Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc","Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs","Acta Crystallographica Section B","2019","75","1","34","38","10.1107/S2052520618017778","","x-ray","0.71073","MoKα","","0.0913","0.0419","","","0.089","0.1061","","","","","","0.973","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2108356","8.6339","0.0002","8.6339","0.0002","21.8874","0.0007","90","","90","","90","","1631.58","0.07","296","2","296","2","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","","","- Al72 Au2.5 Ir29.5 -","- Al72 Au2.5008 Ir29.52 -","- Al72 Au2.5008 Ir29.52 -","1","","","Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian","A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system","Acta Crystallographica Section B","2019","75","1","49","52","10.1107/S2052520618016712","","","0.71073","MoKα","","0.025","0.0165","","","0.0388","0.0432","","","","","","1.127","","","","has coordinates,has Fobs","213456","2020-10-21","18:00:00",""
"2108357","6.6235","0.0003","9.4208","0.0004","12.5188","0.0005","90","","90","","90","","781.16","0.06","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Cu F N4 O2 -","- C6 H3 Cu F N4 O2 -","- C24 H12 Cu4 F4 N16 O8 -","4","1","","Ming, Mei; Shi, Jun","Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols","Acta Crystallographica Section B","2019","75","1","","","10.1107/S2052520618017481","","","0.71073","MoKα","","0.019","0.0183","","","0.0435","0.0438","","","","","","1.041","","","","has coordinates","213283","2020-10-21","18:00:00",""
"2108358","10.441","0.002","8.058","0.0016","19.542","0.004","90","","95.92","0.03","90","","1635.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu3 F4 N10 O10 -","- C26 H20 Cu3 F4 N10 O10 -","- C52 H40 Cu6 F8 N20 O20 -","2","0.5","","Ming, Mei; Shi, Jun","Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols","Acta Crystallographica Section B","2019","75","1","","","10.1107/S2052520618017481","","","0.71073","MoKα","","0.0402","0.0295","","","0.0704","0.0744","","","","","","1.054","","","","has coordinates,has Fobs","213283","2020-10-21","18:00:00",""
"2108359","10.3405","0.0015","8.6279","0.0013","19.594","0.003","90","","98.153","0.003","90","","1730.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu3 F4 N10 O10 -","- C28 H24 Cu3 F4 N10 O10 -","- C56 H48 Cu6 F8 N20 O20 -","2","0.5","","Ming, Mei; Shi, Jun","Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols","Acta Crystallographica Section B","2019","75","1","","","10.1107/S2052520618017481","","","0.71073","MoKα","","0.0578","0.0464","","","0.1265","0.1345","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","213283","2020-10-21","18:00:00",""
"2108360","7.2091","0.0008","12.3296","0.0013","13.5573","0.0014","99.68","0.002","101.459","0.002","90.199","0.002","1163.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H24 Cu5 F6 N18 O14 -","- C38 H24 Cu5 F6 N18 O14 -","- C38 H24 Cu5 F6 N18 O14 -","1","0.5","","Ming, Mei; Shi, Jun","Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols","Acta Crystallographica Section B","2019","75","1","","","10.1107/S2052520618017481","","","0.71073","MoKα","","0.0374","0.0307","","","0.0725","0.0757","","","","","","1.033","","","","has coordinates,has Fobs","213283","2020-10-21","18:00:00",""
"2108361","6.7486","0.0003","10.5419","0.0004","15.658","0.0007","81.293","0.003","79.732","0.002","79.974","0.003","1071.02","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N10 O10 -","- C16 H22 N10 O10 -","- C32 H44 N20 O20 -","2","1","","Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M.","A proposal for coherent nomenclature of multicomponent crystals","Acta Crystallographica Section B","2019","75","1","","","10.1107/S2052520618015858","","","0.71073","MoKα","","0.0861","0.0449","","","0.0984","0.111","","","","","","1.024","","","","has coordinates,has Fobs","213284","2020-10-21","18:00:00",""
"2108362","4.064","0.008","16.58","0.03","17.57","0.03","90","","91.53","0.05","90","","1183","4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C68 H40 N8 -","4","1","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.0984","0.055","","","0.1099","0.1284","","","","","","1.017","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108363","4.1239","0.0008","16.404","0.003","17.252","0.003","90","","90","","90","","1167.1","0.4","280","","280","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C68 H40 N8 -","4","0.5","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.0994","0.0425","","","0.0933","0.1185","","","","","","1.004","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108364","7.394","0.009","10.953","0.013","29.06","0.03","90","","90","","90","","2353","5","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C136 H80 N16 -","8","2","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1344","0.0975","","","0.2419","0.2756","","","","","","1.034","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108365","8.2204","0.0015","10.898","0.002","26.905","0.005","90","","98.691","0.004","90","","2382.6","0.8","270","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C136 H80 N16 -","8","2","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1679","0.0911","","","0.2233","0.2797","","","","","","1.056","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108366","19.316","0.004","3.7013","0.0008","7.7676","0.0018","90","","90","","90","","555.3","0.2","100","","100","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C16 H9 N3 -","- C16 H9 N3 -","- C32 H18 N6 -","2","0.5","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.0469","0.0405","","","0.0998","0.1041","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","213457","2020-10-21","18:00:00",""
"2108367","4.0049","0.0013","16.518","0.005","17.179","0.005","90","","90.007","0.01","90","","1136.4","0.6","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 N3 -","- C16 H9 N3 -","- C64 H36 N12 -","4","1","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1504","0.0533","","","0.1061","0.1469","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","213457","2020-10-21","18:00:00",""
"2108368","4.0741","0.0008","16.416","0.003","17.23","0.003","90","","90","","90","","1152.3","0.4","380","","380","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C16 H9 N3 -","- C16 H9 N3 -","- C64 H36 N12 -","4","0.5","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1582","0.0502","","","0.1083","0.1521","","","","","","0.932","","","","has coordinates,has disorder,has Fobs","213457","2020-10-21","18:00:00",""
"2108369","5.79842","0.00012","5.79842","0.00012","9.2341","0.0003","90","","90","","120","","268.871","0.012","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","N2H4WO3","","- H4 N2 O3 W -","- H4 N2 O3 W -","- H12 N6 O9 W3 -","3","0.5","","Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F.","Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000064","powder diffraction","","","neutron","","","","","","","","","4.4464","1.932","","","","","","","has coordinates,has Fobs","214119","2020-10-21","18:00:00",""
"2108370","21.2256","0.0007","5.67647","0.00016","32.0621","0.0007","90","","100.17","0.003","90","","3802.35","0.19","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","XK5052","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0683","0.0425","","","0.0901","0.0993","","","","","","0.983","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108371","21.2633","0.0008","5.67322","0.00019","32.053","0.0008","90","","100.076","0.003","90","","3807","0.2","125","2","125","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0844","0.0465","","","0.0938","0.1072","","","","","","0.986","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108372","21.33","0.0007","5.67423","0.00016","32.0776","0.0007","90","","99.937","0.003","90","","3824.15","0.19","150","2","150","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0784","0.0455","","","0.0971","0.1118","","","","","","0.985","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108373","21.3889","0.0008","5.67352","0.00019","32.0754","0.0008","90","","99.818","0.003","90","","3835.4","0.2","175","2","175","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.09","0.0497","","","0.1067","0.1325","","","","","","1.044","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108374","21.4563","0.0009","5.67251","0.00019","32.0779","0.0008","90","","99.653","0.003","90","","3849","0.2","200","2","200","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0927","0.05","","","0.1077","0.1355","","","","","","1.043","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108375","21.5229","0.0009","5.6692","0.0002","32.0754","0.0009","90","","99.486","0.004","90","","3860.2","0.2","225","2","225","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.1004","0.0512","","","0.1092","0.1425","","","","","","1.069","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108376","21.6021","0.0009","5.6701","0.0002","32.0856","0.0009","90","","99.299","0.004","90","","3878.4","0.2","250","2","250","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.1031","0.0526","","","0.115","0.1505","","","","","","1.052","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108377","21.6777","0.0009","5.665","0.00018","32.0878","0.0008","90","","99.115","0.003","90","","3890.8","0.2","275","2","275","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.1053","0.0512","","","0.112","0.1448","","","","","","1.05","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108378","21.7528","0.0011","5.6663","0.0002","32.0956","0.001","90","","98.955","0.004","90","","3907.8","0.3","293","2","293","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","","Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.","A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000441","","x-ray","0.71073","MoKα","","0.0992","0.0518","","","0.1149","0.1406","","","","","","1.028","","","","has coordinates,has Fobs","214120","2020-10-21","18:00:00",""
"2108379","13.8451","0.0002","13.8451","0.0002","13.8451","0.0002","90","","90","","90","","2653.92","0.07","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al84 Cu26 Li40 Mg12 -","- Al84 Cu26 Li40 Mg12 -","- Al84 Cu26 Li40 Mg12 -","1","0.0208333","RA5047","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut","Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000349","","","0.71073","MoKα","","0.0241","0.0231","","","0.0618","0.0619","","","","","","1.04","","","","has coordinates,has Fobs","214141","2020-10-21","18:00:00",""
"2108380","7.1062","0.0002","11.5821","0.0003","17.3894","0.0005","90","","94.9978","0.0011","90","","1425.79","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tapentadol","(2R,3R)-3-(3-Hydroxyphenyl)-N,N,2-trimethylpentan-1-aminium","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","","Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.","Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001148","","","0.71073","MoKα","","0.0605","0.0462","","","0.1062","0.1129","","","","","","1.035","","","","has coordinates,has Fobs","214142","2020-10-21","18:00:00",""
"2108381","7.135","0.0002","11.6402","0.0004","17.4546","0.0005","90","","94.7791","0.0014","90","","1444.61","0.08","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tapentadol","(2R,3R)-3-(3-Hydroxyphenyl)-N,N,2-trimethylpentan-1-aminium","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","2","","Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.","Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001148","","","0.71073","MoKα","","0.0798","0.0543","","","0.125","0.136","","","","","","1.042","","","","has coordinates,has Fobs","214142","2020-10-21","18:00:00",""
"2108382","7.0653","0.0002","11.8351","0.0003","17.6593","0.0005","90","","90","","90","","1476.64","0.07","325","2","325","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tapentadol","(2R,3R)-3-(3-Hydroxyphenyl)-N,N,2-trimethylpentan-1-aminium","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","","Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.","Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001148","","","0.71073","MoKα","","0.0754","0.0452","","","0.0906","0.1027","","","","","","0.896","","","","has coordinates,has Fobs","214142","2020-10-21","18:00:00",""
"2108383","23.2416","0.0014","5.2305","0.0003","25.4061","0.0014","90","","102.634","0.005","90","","3013.7","0.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H12 O9.5 -","- C15 H12 O9.5 -","- C120 H96 O76 -","8","2","","Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B.","Taxifolin tubes: crystal engineering and characteristics","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000969","","","0.71073","MoKα","","0.1305","0.0705","","","0.1635","0.1903","","","","","","1.053","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108384","12.078","0.002","30.555","0.002","10.2038","0.0009","90","","107.272","0.012","90","","3595.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N2 O12 -","- C40 H50 N2 O12 -","- C160 H200 N8 O48 -","4","1","XK5050","Shishkina, Svitlana V.; Isaiev, Ivan A.; Urzhuntseva, Viktoriya V.; Palchykov, Vitalii A.","The formation of the salt and neutral molecule cocrystal from equimolar solution of heliamine and bicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,3-dicarboxylic acid","Acta Crystallographica Section B","2019","75","2","","","10.1107/S205252061900115X","","","0.71073","MoKα","","0.0762","0.0632","","","0.1438","0.1534","","","","","","1.096","","","","has coordinates","265222","2021-05-14","10:05:23",""
"2108385","23.479","0.006","8.602","0.002","16.899","0.004","90","","129.963","0.005","90","","2615.9","1.1","273","","273","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H26 N4 O4 -","- C26 H26 N4 O4 -","- C104 H104 N16 O16 -","4","1","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","0.71073","MoKα","","0.0953","0.0596","","","0.1518","0.1742","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","214247","2020-10-21","18:00:00",""
"2108386","22.9673","0.0011","8.8676","0.0004","16.7749","0.0008","90","","118.613","0.002","90","","2999.2","0.3","273","2","273","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H34 N4 O6 -","- C30 H34 N4 O6 -","- C120 H136 N16 O24 -","4","1","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","0.71076","MoKα","","0.0602","0.0516","","","0.1426","0.1518","","","","","","1.06","","","","has coordinates,has Fobs","214247","2020-10-21","18:00:00",""
"2108387","11.77","0.008","14.079","0.01","16.502","0.012","90","","90","","90","","2735","3","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N5 O4 -","- C28 H29 N5 O4 -","- C112 H116 N20 O16 -","4","1","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","0.71076","MoKα","","0.0477","0.0386","","","0.0985","0.1053","","","","","","1.021","","","","has coordinates,has Fobs","214247","2020-10-21","18:00:00",""
"2108388","13.854","0.003","13.854","0.003","27.167","0.008","90","","90","","120","","4515.7","1.9","293","2","293.15","","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H26 N4 O4 -","- C26 H26 N4 O4 -","- C156 H156 N24 O24 -","6","0.5","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","1.54178","CuKα","","0.0743","0.0421","","","0.0986","0.1133","","","","","","1.021","","","","has coordinates,has Fobs","214247","2020-10-21","18:00:00",""
"2108389","7.8592","0.0004","12.9355","0.0005","9.9504","0.0003","90","","92.803","0.004","90","","1010.37","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 I2 O12 Sr -","- C12 H24 I2 O12 Sr -","- C24 H48 I4 O24 Sr2 -","2","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo","Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001951","","x-ray","1.54184","CuKα","","0.0441","0.037","","","0.0873","0.0922","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","214248","2020-10-21","18:00:00",""
"2108390","12.3717","0.0002","17.4352","0.0003","17.6607","0.0003","90","","90","","90","","3809.47","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H86 I8 O43 Sr4 -","- C36 H86 I8 O43 Sr4 -","- C72 H172 I16 O86 Sr8 -","2","0.5","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo","Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001951","","x-ray","1.54184","CuKα","","0.0363","0.0321","","","0.0798","0.0826","","","","","","1.031","","","","has coordinates,has Fobs","214248","2020-10-21","18:00:00",""
"2108391","9.1192","0.0003","13.0908","0.0005","13.5504","0.0008","90","","90","","90","","1617.61","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 I2 O9 Sr -","- C6 H18 I2 O9 Sr -","- C24 H72 I8 O36 Sr4 -","4","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo","Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001951","","x-ray","0.71073","MoKα","","0.0519","0.0389","","","0.074","0.08","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","214248","2020-10-21","18:00:00",""
"2108392","7.369","0.0018","3.9249","0.001","5.698","0.009","90","","90","","90","","164.8","0.3","293","","293","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Te -","- Ge Te -","- Ge4 Te4 -","4","0.5","","Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen","New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001847","","Synchrotron","0.2905","synchrotron","","0.0472","0.0465","","","0.0532","0.0536","","","","2.4","2.4","2.39","","","","has coordinates","214414","2020-10-21","18:00:00",""
"2108393","14.9725","0.0014","5.2733","0.0006","17.0318","0.0017","90","","90","","90","","1344.7","0.2","100","0.1","100","0.1","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C7 H11 F Ge3.84 N2 O24 Si8.16 -","- C7 H11 F Ge3.8408 N2 O24 Si8.1592 -","- C14 H22 F2 Ge7.6816 N4 O48 Si16.3184 -","2","0.125","","Wang, Xiaoge; Shen, Yihan; Liu, Rongli; Liu, Xiaolong; Lin, Cong; Shi, Dier; Chen, Yanping; Liao, Fuhui; Lin, Jianhua; Sun, Junliang","Elucidation of correlated disorder in zeolite IM-18","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003172","","","0.71073","MoKα","","0.0366","0.0288","","","0.0685","0.0717","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","215127","2020-10-21","18:00:00",""
"2108394","6.92715","0.00015","8.3336","0.0002","10.4706","0.0002","109.898","0.002","98.979","0.0019","100.773","0.002","542.32","0.02","278.55","0.1","278.55","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O -","- C17 H10 O -","- C34 H20 O2 -","2","1","","Tchoń, Daniel; Makal, Anna","Structure and piezochromism of pyrene-1-carbaldehyde at high pressure","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003354","","x-ray","0.71073","MoKα","","0.0748","0.0548","","","0.1654","0.1793","","","","","","1.058","","","","has coordinates,has Fobs","215299","2020-10-21","18:00:00",""
"2108395","6.7049","0.0009","8.1989","0.0012","10.329","0.002","109.691","0.017","99.378","0.015","100.628","0.012","509.66","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O -","- C17 H10 O -","- C34 H20 O2 -","2","1","","Tchoń, Daniel; Makal, Anna","Structure and piezochromism of pyrene-1-carbaldehyde at high pressure","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003354","","x-ray","0.4859","synchrotron","","0.2224","0.1596","","","0.4088","0.4539","","","","","","1.579","","","","has coordinates,has Fobs","215299","2020-10-21","18:00:00",""
"2108396","6.695","0.0008","8.1846","0.0011","10.306","0.002","109.649","0.018","99.384","0.016","100.652","0.011","506.97","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O -","- C17 H10 O -","- C34 H20 O2 -","2","1","","Tchoń, Daniel; Makal, Anna","Structure and piezochromism of pyrene-1-carbaldehyde at high pressure","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003354","","x-ray","0.4859","synchrotron","","0.133","0.0947","","","0.2525","0.2823","","","","","","1.088","","","","has coordinates,has Fobs","215299","2020-10-21","18:00:00",""
"2108397","6.6139","0.0017","8.1151","0.0016","10.272","0.002","109.439","0.019","99.563","0.019","100.637","0.019","495.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O -","- C17 H10 O -","- C34 H20 O2 -","2","1","","Tchoń, Daniel; Makal, Anna","Structure and piezochromism of pyrene-1-carbaldehyde at high pressure","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003354","","x-ray","0.4859","synchrotron","","0.1498","0.0799","","","0.2021","0.2387","","","","","","1.056","","","","has coordinates,has Fobs","215299","2020-10-21","18:00:00",""
"2108398","6.6007","0.0014","8.1331","0.0019","10.232","0.003","109.52","0.03","99.88","0.03","100.617","0.018","492.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O -","- C17 H10 O -","- C34 H20 O2 -","2","1","","Tchoń, Daniel; Makal, Anna","Structure and piezochromism of pyrene-1-carbaldehyde at high pressure","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003354","","x-ray","0.4859","synchrotron","","0.2872","0.2242","","","0.4548","0.5024","","","","","","1.18","","","","has coordinates,has Fobs","215299","2020-10-21","18:00:00",""
"2108399","6.477","0.002","8.041","0.002","10.205","0.003","109.37","0.03","99.57","0.03","100.71","0.03","477.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O -","- C17 H10 O -","- C34 H20 O2 -","2","1","","Tchoń, Daniel; Makal, Anna","Structure and piezochromism of pyrene-1-carbaldehyde at high pressure","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003354","","x-ray","0.4859","synchrotron","","0.2634","0.1689","","","0.3776","0.4342","","","","","","1.089","","","","has coordinates,has Fobs","215299","2020-10-21","18:00:00",""
"2108400","13.119","0.0008","4.777","0.0003","27.3921","0.0017","90","","95.8533","0.0012","90","","1707.7","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-perinone","bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione","","- C26 H12 N4 O2 -","- C26 H12 N4 O2 -","- C104 H48 N16 O8 -","4","1","","Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei","Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003287","","","0.41328","synchrotron","","0.094","0.0656","","","0.1794","0.2031","","","","","","1.063","","","","has coordinates,has Fobs","215439","2020-10-21","18:00:00",""
"2108401","16.971","0.002","7.3707","0.0009","14.0809","0.0017","90","","94.09","0.01","90","","1756.9","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O2 -","- C26 H12 N4 O2 -","- C104 H48 N16 O8 -","4","1","","Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei","Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619003287","","","1.54178","CuKα","","0.1211","0.1098","","","0.3105","0.321","","","","","","1.095","","","","has coordinates,has Fobs","215439","2020-10-21","18:00:00",""
"2108402","18.1075","0.0002","14.16642","0.00016","18.5436","0.0003","90","","117.163","0.002","90","","4232.16","0.12","223","","223","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C192 H176 Cl16 N16 O16 -","8","1","","So, Hee-Soo; Matsumoto, Shinya","Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004773","","","1.54187","CuKα","","0.0492","0.0459","","","0.1354","0.1391","","","","","","1.097","","","","has coordinates,has Fobs","215524","2020-10-21","18:00:00",""
"2108403","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.02","1974.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","","","0.016","0.014","","","","0.022","","","","","","1.567","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108404","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.02","1974.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","","","0.0178","0.0178","","0.0155","0.0155","","0.0213","","2.1921","2.1921","2.1921","","","","","has coordinates,has disorder,has Fobs","288574","2023-12-31","01:38:45",""
"2108405","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.02","1974.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","","","0.016","0.014","","","","0.022","","","","","","1.562","","","","has coordinates","215525","2020-10-21","18:00:00",""
"2108406","10.227","0.002","12.324","0.003","17.353","0.004","101.55","0.03","91.23","0.03","112.04","0.03","1975","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","neutrons","","0.142","0.071","","","","0.114","","","","","","1.63","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108407","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.02","1974.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","","","0.016","0.014","","","","0.022","","","","","","1.575","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108408","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.02","1974.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","","","0.015","0.014","","","","0.021","","","","","","1.541","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108409","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.02","1974.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","","","0.016","0.014","","","","0.022","","","","","","1.592","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108410","10.7687","","14.7934","","13.4133","","90","","103.813","","90","","2075.02","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","MoKα","","0.025","0.025","","","","0.017","","","","","","1.223","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108411","10.7687","","14.7934","","13.4133","","90","","103.813","","90","","2075.02","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","MoKα","","0.025","0.025","","","","0.017","","","","","","1.223","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108412","10.7687","","14.7934","","13.4133","","90","","103.813","","90","","2075.02","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","MoKα","","0.026","0.026","","","","0.019","","","","","","1.321","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108413","10.7687","","14.7934","","13.4133","","90","","103.813","","90","","2075.02","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","MoKα","","0.0269","0.0269","","0.0164","0.0164","","0.0264","","1.938","1.938","1.938","","","","","has coordinates,has disorder,has Fobs","288574","2023-12-31","01:38:45",""
"2108414","10.7687","0.0003","14.7934","0.0004","13.4133","0.0003","90","","103.813","0.001","90","","2075.02","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","","neutrons","","0.067","0.067","","","","0.118","","","","","","1.385","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108415","10.7687","","14.7934","","13.4133","","90","","103.813","","90","","2075.02","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","MoKα","","0.026","0.026","","","","0.018","","","","","","1.287","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108416","10.7687","","14.7934","","13.4133","","90","","103.813","","90","","2075.02","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 P2 S2 -","- C52 H44 P2 S2 -","- C104 H88 P4 S4 -","2","0.5","","Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar","Comparison of different strategies for modelling hydrogen atoms in charge density analyses","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004517","","","0.71073","MoKα","","0.027","0.027","","","","0.02","","","","","","1.386","","","","has coordinates,has Fobs","215525","2020-10-21","18:00:00",""
"2108417","10.1517","0.0004","11.96","0.0005","8.9955","0.0004","90","","114.322","0.002","90","","995.25","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","1","","Gomathi, V.; Theivarasu, C.","Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts","Acta Crystallographica Section B","2019","75","3","449","458","10.1107/S205252061900252X","","","0.71073","MoKα","","0.042","0.035","","","0.0877","0.0955","","","","","","1.03","","","","has coordinates,has Fobs","215585","2020-10-21","18:00:00",""
"2108418","8.3828","0.0006","23.9943","0.0017","17.2844","0.001","90","","98.635","0.003","90","","3437.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C120 H168 N24 O60 -","12","3","","Gomathi, V.; Theivarasu, C.","Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts","Acta Crystallographica Section B","2019","75","3","449","458","10.1107/S205252061900252X","","","0.71073","MoKα","","0.0951","0.044","","","0.1016","0.1308","","","","","","1.02","","","","has coordinates,has Fobs","215585","2020-10-21","18:00:00",""
"2108419","5.1027","0.0002","16.024","0.0007","8.7273","0.0004","90","","94.459","0.002","90","","711.43","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 N4 O8 -","- C10 H22 N4 O8 -","- C20 H44 N8 O16 -","2","0.5","","Gomathi, V.; Theivarasu, C.","Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts","Acta Crystallographica Section B","2019","75","3","449","458","10.1107/S205252061900252X","","","0.71073","MoKα","","0.035","0.0317","","","0.0793","0.0814","","","","","","1.073","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108420","14.8764","0.0009","8.9742","0.0004","26.8271","0.0009","90","","90","","90","","3581.5","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H16 Cl2 Co N4 -","- C18 H16 Cl2 Co N4 -","- C144 H128 Cl16 Co8 N32 -","8","2","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0291","0.0272","","","0.066","0.0677","","","","","","1.051","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108421","7.5817","0.0004","18.625","0.001","14.2346","0.0011","90","","100.448","0.007","90","","1976.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Co I2 N4 -","- C18 H16 Co I2 N4 -","- C72 H64 Co4 I8 N16 -","4","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0251","0.0216","","","0.0542","0.0574","","","","","","1.061","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108422","9.4982","0.0009","14.9627","0.0011","14.5081","0.0014","90","","107.938","0.01","90","","1961.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Co N6 O6 -","- C18 H16 Co N6 O6 -","- C72 H64 Co4 N24 O24 -","4","1","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","1.54184","CuKα","","0.0676","0.0483","","","0.0952","0.104","","","","","","1.049","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108423","17.5108","0.0014","13.8088","0.0013","18.915","0.0016","90","","114.745","0.009","90","","4153.7","0.7","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H16 Co N6 S2 -","- C20 H16 Co N6 S2 -","- C160 H128 Co8 N48 S16 -","8","1","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0863","0.054","","","0.1253","0.1509","","","","","","1.03","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108424","11.355","0.0012","12.68","0.003","13.4516","0.0014","90","","90","","90","","1936.8","0.5","100","2","100","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C38 H37 Co I2 N9 O -","- C38 H37 Co I2 N9 O -","- C76 H74 Co2 I4 N18 O2 -","2","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0278","0.0267","","","0.0643","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108425","11.3655","0.0006","12.5153","0.0007","13.6247","0.0006","90","","90","","90","","1938.01","0.17","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H37 Co N11 O7 -","- C38 H37 Co N11 O7 -","- C76 H74 Co2 N22 O14 -","2","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0289","0.0272","","","0.0706","0.072","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","215998","2020-10-21","18:00:00",""
"2108426","8.6822","0.0008","9.457","0.0009","13.6578","0.0012","103.023","0.008","95.901","0.007","107.217","0.008","1026.15","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Co N10 O2 S2 -","- C40 H40 Co N10 O2 S2 -","- C40 H40 Co N10 O2 S2 -","1","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.05","0.0385","","","0.0859","0.0933","","","","","","1.055","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108427","24.4747","0.0019","5.5932","0.0005","14.8644","0.0016","90","","94.172","0.008","90","","2029.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N6 S2 -","- C20 H16 Co N6 S2 -","- C80 H64 Co4 N24 S8 -","4","0.5","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.044","0.0327","","","0.0693","0.0766","","","","","","1.024","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108428","18.5453","0.0015","30.1766","0.0025","39.798","0.004","90","","90","","90","","22272","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C149 N30 O78 S6 -","- C149 N30 O78 S6 -","- C596 N120 O312 S24 -","4","1","","Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene","Revisiting the structure of a synthetic somatostatin analogue for peptide drug design","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619006012","powder diffraction","x-ray","1.29995","","","","","","","","","0.31202","","8.9","","","","","","","has coordinates","215999","2020-10-21","18:00:00",""
"2108434","6.9149","0.0002","7.0012","0.0001","12.3713","0.0003","90.881","0.001","104.312","0.001","101.783","0.001","566.74","0.02","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N4 S -","- C2 H6 N4 S -","- C8 H24 N16 S4 -","4","2","","Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo","Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619005791","","x-ray","0.71073","MoKα","","","0.028","","","","0.0734","","","","","","1.043","","","","has coordinates,has Fobs","216135","2020-10-21","18:00:00",""
"2108435","9.8299","0.0011","9.8507","0.0011","10.2105","0.0012","64.634","0.004","78.716","0.005","87.703","0.004","875.04","0.18","15","2","15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N18 S -","- C10 H16 N18 S -","- C20 H32 N36 S2 -","2","1","","Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo","Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619005791","","","0.4428","","","0.1615","0.0805","","","0.2335","0.2648","","","","","","1.097","","","","has coordinates,has Fobs","216135","2020-10-21","18:00:00",""
"2108436","3.534","0.003","28.13","0.02","10.698","0.005","90","","97.025","0.013","90","","1055.5","1.3","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9.67 N11 -","- C6 H9.6667 N11 -","- C24 H38.6668 N44 -","4","1","","Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo","Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619005791","","","0.56086","AgKα","","0.0935","0.0641","","","0.1799","0.2139","","","","","","1.137","","","","has coordinates,has Fobs","216135","2020-10-21","18:00:00",""
"2108437","6.032","0.0012","7.796","0.0016","10.531","0.002","90","","105.9","0.03","90","","476.28","0.18","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N10 -","- C6 H8 N10 -","- C12 H16 N20 -","2","0.5","","Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo","Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619005791","","","0.71073","MoKα","","0.1324","0.0575","","","0.1369","0.165","","","","","","0.915","","","","has coordinates,has Fobs","216135","2020-10-21","18:00:00",""
"2108438","11.1348","0.0009","12.1287","0.0011","13.1868","0.0012","63.474","0.006","71.339","0.007","63.549","0.006","1410.2","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N13 O S -","- C7 H15 N13 O S -","- C28 H60 N52 O4 S4 -","4","2","","Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo","Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619005791","","","1.54178","CuKα","","0.0884","0.0736","","","0.2152","0.2293","","","","","","1.102","","","","has coordinates,has Fobs","216135","2020-10-21","18:00:00",""
"2108441","7.47882","0.00009","26.0041","0.0003","14.78241","0.00016","90","","102.507","0.0012","90","","2806.66","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","clofaziminium hydrogen fumarate","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin- 2-ylidene]propan-2-aminium (2E)-3-carboxyprop-2-enoate","","- C31 H26 Cl2 N4 O4 -","- C31 H26 Cl2 N4 O4 -","- C124 H104 Cl8 N16 O16 -","4","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","1.54184","CuKα","","0.0536","0.0485","","","0.1303","0.1355","","","","","","1.006","","","","has coordinates,has Fobs","217185","2020-10-21","18:00:00",""
"2108442","10.6376","0.0006","12.2781","0.0005","12.7975","0.0008","90.079","0.004","113.211","0.006","108.284","0.004","1443.58","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium hydrogen succinate","N-[10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin -2-ylidene]propan-2-aminium 3-carboxypropanoate","","- C31 H28 Cl2 N4 O4 -","- C31 H28 Cl2 N4 O4 -","- C62 H56 Cl4 N8 O8 -","2","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","0.71073","MoKα","","0.0713","0.045","","","0.1063","0.1223","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","217185","2020-10-21","18:00:00",""
"2108443","7.997","0.0003","13.5824","0.0003","16.6638","0.0007","80.214","0.003","80.034","0.004","83.036","0.003","1748.86","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Clofaziminium saccharinate acetonitrile solvate","1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-ide; N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium; acetonitrile","","- C36.79 H31.18 Cl2 N6.39 O3 S -","- C36.786 H31.179 Cl2 N6.393 O3 S -","- C73.572 H62.358 Cl4 N12.786 O6 S2 -","2","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","1.54184","CuKα","","0.0601","0.0528","","","0.1342","0.1421","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","217185","2020-10-21","18:00:00",""
"2108444","8.2115","0.0007","13.5327","0.0012","14.325","0.003","89.04","0.01","88.864","0.01","83.781","0.007","1582","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Clofaziminium saccharinate","1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-ide; N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium","","- C34 H27 Cl2 N5 O3 S -","- C34 H27 Cl2 N5 O3 S -","- C68 H54 Cl4 N10 O6 S2 -","2","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","1.54184","CuKα","","0.1123","0.0638","","","0.1582","0.1895","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","217185","2020-10-21","18:00:00",""
"2108445","9.4861","0.0004","12.5322","0.0005","15.3641","0.0005","98.415","0.003","103.379","0.003","110.45","0.004","1612.41","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium 2,4-dihydroxybenzoate methanol solvate","N-[10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2,4-dihydroxybenzoate","","- C35 H32 Cl2 N4 O5 -","- C35 H32 Cl2 N4 O5 -","- C70 H64 Cl4 N8 O10 -","2","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","1.54184","CuKα","","0.0422","0.0374","","","0.1054","0.1113","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","217185","2020-10-21","18:00:00",""
"2108446","11.799","0.0004","12.0736","0.0004","14.6803","0.0005","72.472","0.003","80.688","0.003","72.03","0.003","1891.44","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis-clofaziminium terephthalate terephthalic acid","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate","","- C35 H28 Cl2 N4 O4 -","- C35 H28 Cl2 N4 O4 -","- C70 H56 Cl4 N8 O8 -","2","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","0.71073","MoKα","","0.058","0.044","","","0.1087","0.1178","","","","","","1.031","","","","has coordinates,has Fobs","217185","2020-10-21","18:00:00",""
"2108447","10.4028","0.0003","10.8454","0.0003","15.4229","0.0005","71.183","0.003","73.984","0.003","76.148","0.002","1561.33","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","bis-clofaziminium terephthalate terephthalic acid","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate","","- C35 H28 Cl2 N4 O4 -","- C35 H28 Cl2 N4 O4 -","- C70 H56 Cl4 N8 O8 -","2","1","AW5025","Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan","Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007649","","","0.71073","MoKα","","0.0521","0.0395","","","0.1008","0.1092","","","","","","1.025","","","","has coordinates,has Fobs","217185","2020-10-21","18:00:00",""
"2108448","9.8367","0.0005","17.1456","0.0008","9.8764","0.0004","90","","93.73","0.004","90","","1662.19","0.13","290","","290","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Williams, Alice E.; Thompson, Amber L.; Watkin, David J.","The role of multiple observations in small-molecule single-crystal service X-ray structure determination","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619006681","","","1.54184","CuKα","","0.1018","0.0589","","0.1733","0.1361","0.1733","","","","","","1.0215","","","","has coordinates,has Fobs","217186","2020-10-21","18:00:00",""
"2108449","13.0927","0.0003","9.997","0.0002","20.4884","0.0004","90","","106.827","0.001","90","","2566.86","0.09","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B9 Ba6 Lu5 O27 -","- B9 Ba6 Lu5 O27 -","- B36 Ba24 Lu20 O108 -","4","0.5","RA5058","Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P.","The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007443","","x-ray","0.71069","MoKα","","0.0502","0.028","","","0.0271","0.0301","","","","1.26","1.26","1.18","","","","has coordinates,has Fobs","217187","2020-10-21","18:00:00",""
"2108450","5.1473","0.0002","5.20878","0.00023","5.31657","0.00022","90","","99.2056","0.0033","90","","140.708","0.01","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.0369","","1.1","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108451","5.14204","0.00019","5.20869","0.00021","5.30989","0.00021","90","","99.1726","0.0033","90","","140.398","0.01","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.11471","","1.27","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108452","5.12418","0.00021","5.20803","0.00023","5.28293","0.00024","90","","99.048","0.004","90","","139.231","0.011","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.06266","","1.27","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108453","5.10541","0.00027","5.20827","0.00032","5.25387","0.00031","90","","98.868","0.005","90","","138.032","0.014","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.07094","","1.37","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108454","5.09098","0.00029","5.2093","0.00033","5.23197","0.00032","90","","98.706","0.005","90","","137.155","0.015","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.06231","","1.36","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108455","5.07006","0.00032","5.2095","0.0004","5.1975","0.0004","90","","98.441","0.006","90","","135.792","0.017","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.07915","","1.43","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108456","5.059","0.00033","5.2097","0.0004","5.1763","0.0004","90","","98.276","0.006","90","","135.005","0.017","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori","Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007923","powder diffraction","neutron","","","","","","","","","","0.09108","","1.52","","","","","","","has coordinates","217345","2020-10-21","18:00:00",""
"2108457","21.246","0.005","4.2897","0.0009","9.5257","0.0012","90","","90","","90","","868.2","0.3","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","daliranite","","","- As2 Hg Pb S5 -","- As2 Hg Pb S5 -","- As8 Hg4 Pb4 S20 -","4","0.5","","Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.","Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007340","","electron","0.0335","electron","","0.3222","0.2435","","","0.2946","0.3025","","","","16.27","16.27","13.93","","","","has coordinates,has Fobs","217346","2020-10-21","18:00:00",""
"2108458","21.246","0.005","4.2897","0.0009","9.5257","0.0012","90","","90","","90","","868.2","0.3","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Hg Pb S5 -","- As2 Hg Pb S5 -","- As8 Hg4 Pb4 S20 -","4","0.5","","Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.","Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007340","","electron","0.0335","electron","","0.3818","0.2715","","","0.2989","0.3097","","","","12.87","12.87","10.7","","","","has coordinates,has Fobs","217346","2020-10-21","18:00:00",""
"2108459","8.6793","0.0004","9.0674","0.0004","10.6085","0.0004","90","","90","","90","","834.87","0.06","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hippuric Acid","Benzoylaminoethanoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood","Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007911","","","0.71073","MoKα","","0.0281","0.0281","","","0.0407","0.0425","","","","","","0.965","","","","has coordinates,has Fobs","217347","2020-10-21","18:00:00",""
"2108460","8.6793","0.0004","9.0674","0.0004","10.6085","0.0004","90","","90","","90","","834.87","0.06","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hippuric Acid","Benzoylaminoethanoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood","Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007911","","","0.71073","MoKα","","0.0405","0.0405","","","0.1012","0.1013","","","","","","1.082","","","","has coordinates,has Fobs","217347","2020-10-21","18:00:00",""
"2108461","8.6793","0.0004","9.0674","0.0004","10.6085","0.0004","90","","90","","90","","834.87","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hippuric Acid","Benzoylaminoethanoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood","Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007911","","","0.71073","MoKα","","0.0513","0.0363","","","0.0942","0.1067","","","","","","1.107","","","","has coordinates,has Fobs","217347","2020-10-21","18:00:00",""
"2108462","6.3704","0.0003","16.6534","0.0009","7.5759","0.0004","90","","93.9516","0.0016","90","","801.81","0.07","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","0.0741","0.0471","","","0.1319","0.1436","","","","2.25","2.25","1.96","","","","has coordinates,has Fobs","217348","2020-10-21","18:00:00",""
"2108463","6.3704","0.0003","16.6534","0.0009","7.5759","0.0004","90","","93.9516","0.0016","90","","801.81","0.07","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","0.0641","0.0372","","","0.1031","0.1167","","","","1.84","1.84","1.63","","","","has coordinates,has Fobs","217348","2020-10-21","18:00:00",""
"2108464","6.3704","0.0003","16.6534","0.0009","7.5759","0.0004","90","","93.9516","0.0016","90","","801.81","0.07","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","0.0585","0.0313","","","0.0673","0.0762","","","","2","2","1.73","","","","has coordinates,has Fobs","217348","2020-10-21","18:00:00",""
"2108465","7.3634","0.0008","17.5614","0.0018","19.3782","0.0019","68.688","0.003","83.981","0.003","87.9","0.003","2321.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C96 H108 N12 O36 -","12","6","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71075","MoKα","","0.0555","0.0411","","","0.1145","0.1247","","","","1.45","1.45","1.42","","","","has coordinates,has Fobs","217348","2020-10-21","18:00:00",""
"2108466","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108467","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108468","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108469","42.55","0.004","21.687","0.002","19.9952","0.0019","130.368","0.012","170.4","0.04","48.973","0.011","2321","10","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C96 H108 N12 O36 -","12","6","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71075","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108470","7.534","","11.15","","13.917","","90","","92.94","","90","","1167.55","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Kolb, Ute; Krysiak, Yaşar; Plana-Ruiz, Sergi","Automated electron diffraction tomography ‒ development and applications","Acta Crystallographica Section B","2019","75","4","463","474","10.1107/S2052520619006711","","","0.0197","electron","","0.4994","0.4385","","","0.8388","0.8689","","","","","","3.41","","","","has coordinates,has Fobs","217426","2020-10-21","18:00:00",""
"2108471","8.71353","0.00013","29.496","0.0006","17.6717","0.0002","90","","97.937","0.0014","90","","4498.37","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O7 S -","- C22 H24 N2 O7 S -","- C176 H192 N16 O56 S8 -","8","4","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0554","0.0448","","","0.1097","0.1187","","","","","","1.034","","","","has coordinates,has Fobs","218152","2020-10-21","18:00:00",""
"2108472","12.89179","0.00007","12.89179","0.00007","29.5087","0.0003","90","","90","","90","","4904.29","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H28 N2 O8.5 S -","- C25 H28 N2 O8.5 S -","- C200 H224 N16 O68 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0473","0.0471","","","0.1321","0.1322","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108473","12.81222","0.00008","12.81222","0.00008","29.7274","0.0003","90","","90","","90","","4879.84","0.07","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H27 N3 O7.5 S -","- C25 H27 N3 O7.5 S -","- C200 H216 N24 O60 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0581","0.0579","","","0.1596","0.1599","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108474","12.85808","0.00014","12.85808","0.00014","29.5715","0.0004","90","","90","","90","","4889.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23.5 H25 N3 O7.5 S -","- C23.5 H27 N3 O7.5 S -","- C188 H216 N24 O60 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0638","0.0629","","","0.1775","0.179","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108475","12.88747","0.00007","12.88747","0.00007","29.5246","0.0003","90","","90","","90","","4903.65","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H28 N2 O8.5 S -","- C25 H28 N2 O8.5 S -","- C200 H224 N16 O68 S8 -","8","1","","Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.","Understanding the formation of apremilast cocrystals","Acta Crystallographica Section B","2019","75","5","","","10.1107/S205252061900917X","","x-ray","1.54184","CuKα","","0.0599","0.0596","","","0.1718","0.1722","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","218152","2020-10-21","18:00:00",""
"2108476","24.316","0.006","3.9011","0.001","25.297","0.007","90","","90","","90","","2399.7","1.1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H10 N2 -","- C16 H10 N2 -","- C128 H80 N16 -","8","2","","Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti","Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619009156","","","0.71073","MoKα","","0.1194","0.0769","","","0.1726","0.1961","","","","","","1.073","","","","has coordinates","218153","2020-10-21","18:00:00",""
"2108477","7.7437","0.0005","12.8797","0.0009","16.2007","0.0011","108.298","0.003","102.962","0.003","94.992","0.004","1473.21","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","","Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti","Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619009156","","","0.71073","MoKα","","0.0746","0.0492","","","0.1348","0.1629","","","","","","1.043","","","","has coordinates","218153","2020-10-21","18:00:00",""
"2108478","9.221","0.002","9.847","0.002","34.947","0.006","90","","90","","90","","3173.2","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti","Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619009156","","","0.71073","MoKα","","0.1394","0.0832","","","0.1754","0.2187","","","","","","1.101","","","","has coordinates","218153","2020-10-21","18:00:00",""
"2108479","10.5741","0.0002","13.5798","0.0003","16.6564","0.0004","107.731","0.001","98.269","0.001","106.98","0.001","2106.51","0.08","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","TPAP","","- C26 H20 Cl N3 O -","- C26 H20 Cl N3 O -","- C104 H80 Cl4 N12 O4 -","4","2","","Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng","Solvatochromism and mechanochromism observed in a triphenylamine derivative","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619007030","","","0.71073","MoKα","","0.0678","0.0441","","","0.1122","0.1295","","","","","","1.053","","","","has coordinates,has Fobs","218572","2020-10-21","18:00:00",""
"2108480","15.6975","0.0007","23.7324","0.0011","12.0002","0.0004","90","","102.451","0.002","90","","4365.4","0.3","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl N3 O -","- C26 H20 Cl N3 O -","- C208 H160 Cl8 N24 O8 -","8","2","","Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng","Solvatochromism and mechanochromism observed in a triphenylamine derivative","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619007030","","","1.54178","CuKα","","0.0886","0.0461","","","0.0972","0.1153","","","","","","1.006","","","","has coordinates,has Fobs","218572","2020-10-21","18:00:00",""
"2108481","13.9849","0.0012","13.1957","0.0011","15.1425","0.0013","90","","109.763","0.001","90","","2629.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Eu N3 O7 S -","- C26 H20 Eu N3 O7 S -","- C104 H80 Eu4 N12 O28 S4 -","4","1","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0331","0.0244","","","0.0528","0.0565","","","","","","1.036","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108482","39.336","0.004","8.638","0.0009","25.594","0.003","90","","124.837","0.002","90","","7137.9","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H58 Er4 N6 O30 S2 -","- C67 H58 Er4 N6 O30 S2 -","- C268 H232 Er16 N24 O120 S8 -","4","0.5","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0435","0.0312","","","0.0625","0.0668","","","","","","1.03","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108483","39.474","0.008","8.6567","0.0017","25.67","0.005","90","","124.895","0.002","90","","7195","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H58 N6 O30 S2 Yb4 -","- C67 H58 N6 O30 S2 Yb4 -","- C268 H232 N24 O120 S8 Yb16 -","4","0.5","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0602","0.0372","","","0.0669","0.0739","","","","","","1.014","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108484","11.0175","0.0018","16.994","0.003","14.608","0.002","90","","106.227","0.003","90","","2626.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 N6 O15 S2 Tb2 -","- C58 H36 N6 O15 S2 Tb2 -","- C116 H72 N12 O30 S4 Tb4 -","2","0.5","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0665","0.0401","","","0.0798","0.0909","","","","","","1.006","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108485","11.0067","0.0012","16.9842","0.0019","14.5971","0.0016","90","","106.203","0.002","90","","2620.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 N6 O15 S2 Yb2 -","- C58 H36 N6 O15 S2 Yb2 -","- C116 H72 N12 O30 S4 Yb4 -","2","0.5","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0396","0.03","","","0.0678","0.0725","","","","","","1.019","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108486","9.1596","0.0009","13.4942","0.0013","20.727","0.002","90","","98.039","0.002","90","","2536.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 Eu N3 O7 S -","- C29 H18 Eu N3 O7 S -","- C116 H72 Eu4 N12 O28 S4 -","4","1","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0284","0.0229","","","0.0501","0.052","","","","","","1.118","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108487","9.119","0.001","13.463","0.0015","20.674","0.002","90","","97.756","0.002","90","","2514.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 N3 O7 S Tb -","- C29 H18 N3 O7 S Tb -","- C116 H72 N12 O28 S4 Tb4 -","4","1","","Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng","Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010047","","","0.71073","MoKα","","0.0271","0.022","","","0.0479","0.0501","","","","","","1.026","","","","has coordinates,has Fobs","218573","2020-10-21","18:00:00",""
"2108488","7.1402","0.0004","7.5689","0.0004","11.9955","0.0005","98.844","0.004","102.693","0.004","100.077","0.005","610.09","0.06","160","0.1","160","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C24 H28 N4 O10 -","2","1","","Zong, Shuyi; Wang, Jingkang; Wu, Hao; Liu, Qi; Hao, Yunhui; Huang, Xin; Wu, Dehui; Zhou, Guanchen; Hao, Hongxun","Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of <i>p</i>-nitrobenzoic acid","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619009478","","x-ray","1.54184","CuKα","","0.0499","0.041","","","0.1123","0.1271","","","","","","1.131","","","","has coordinates,has Fobs","218574","2020-10-21","18:00:00",""
"2108489","16.8913","0.0004","5.6406","0.0001","8.3591","0.0003","90","","93.919","0.003","90","","794.57","0.04","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Ca Cu6 O18 P4 Rb2 -","- Ca Cu6 O18 P4 Rb2 -","- Ca2 Cu12 O36 P8 Rb4 -","2","0.5","RA5054","Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N.","Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619008527","","x-ray","0.71069","MoKα","","0.0764","0.0502","","","0.0452","0.05","","","","1","1","0.97","","","","has coordinates,has Fobs","218857","2020-10-21","18:00:00",""
"2108490","4.8281","0.001","8.5805","0.0013","15.436","0.002","96.79","0.013","95.002","0.015","91.404","0.015","632.18","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.1206","0.0679","","","0.1545","0.1838","","","","","","1.001","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108491","4.8956","0.0007","9.6425","0.0015","14.958","0.002","103.662","0.013","94.58","0.012","98.382","0.012","673.98","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.1648","0.0803","","","0.1662","0.2107","","","","","","0.917","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108492","4.6371","0.0013","8.957","0.003","15.788","0.006","99.88","0.03","96.61","0.03","93.21","0.03","639.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F N2 O2 -","- C16 H11 F N2 O2 -","- C32 H22 F2 N4 O4 -","2","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.2457","0.0766","","","0.1567","0.1853","","","","","","0.68","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108493","4.6995","0.0014","30.579","0.008","8.853","0.003","90","","92.7","0.02","90","","1270.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F N2 O2 -","- C16 H11 F N2 O2 -","- C64 H44 F4 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.1908","0.0706","","","0.1267","0.1674","","","","","","0.896","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108494","4.3746","0.0009","30.823","0.005","9.855","0.003","90","","93.225","0.017","90","","1326.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.1529","0.073","","","0.1607","0.1972","","","","","","0.949","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108495","4.1661","0.0002","31.0277","0.0016","10.4434","0.0006","90","","92.933","0.004","90","","1348.19","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O2 -","- C16 H11 Br N2 O2 -","- C64 H44 Br4 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.0524","0.0418","","","0.1108","0.1193","","","","","","1.066","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108496","6.9397","0.0005","10.2611","0.0008","20.7644","0.0012","90","","96.919","0.007","90","","1467.84","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O2 -","- C16 H11 Br N2 O2 -","- C64 H44 Br4 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.1517","0.0998","","","0.277","0.3255","","","","","","1.057","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108497","6.9395","0.0002","10.2583","0.0004","20.7605","0.0006","90","","96.931","0.003","90","","1467.09","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 I N2 O2 -","- C16 H11 I N2 O2 -","- C64 H44 I4 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.0551","0.0402","","","0.1095","0.1216","","","","","","1.187","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108498","6.9921","0.0013","10.1424","0.0015","20.862","0.003","90","","99.57","0.016","90","","1458.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.","Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619010485","","","0.71073","MoKα","","0.1251","0.0674","","","0.1687","0.2061","","","","","","0.999","","","","has coordinates,has Fobs","218858","2020-10-21","18:00:00",""
"2108499","23.0502","0.0006","6.7836","0.0002","25.4596","0.0007","90","","114.262","0.001","90","","3629.33","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bendamustine Hydrochloride","y-[l-methyl-5-bis-([3-chloroethyl)-aminobenzimidazolo-(2)]-butyryl chloride","","- C16 H22 Cl3 N3 O2 -","- C16 H22 Cl3 N3 O2 -","- C128 H176 Cl24 N24 O16 -","8","1","BM5115","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010837","","","0.71073","MoKα","","0.0672","0.0436","","","0.1004","0.1117","","","","","","1.028","","","","has coordinates,has Fobs","220586","2020-10-21","18:00:00",""
"2108500","4.649","0.0006","47.213","0.005","8.9051","0.001","90","","96.222","0.007","90","","1943.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bendamustine Hydrochloride Monohydrate","y-[l-methyl-5-bis-([3-chloroethyl)-aminobenzimidazolo-(2)]-butyryl chloride, hydrate","","- C16 H24 Cl3 N3 O3 -","- C16 H24 Cl3 N3 O3 -","- C64 H96 Cl12 N12 O12 -","4","1","BM5115","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010837","","","0.71073","MoKα","","0.1493","0.0814","","","0.14","0.1572","","","","","","1.097","","","","has coordinates,has Fobs","220586","2020-10-21","18:00:00",""
"2108501","4.722","0.004","45.671","0.019","8.798","0.007","90","","97.66","0.06","90","","1880","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bendamustine Hydrochloride","y-[l-methyl-5-bis-([3-chloroethyl)-aminobenzimidazolo-(2)]-butyryl chloride","","- C16 H22 Cl3 N3 O2 -","- C16 H22 Cl3 N3 O2 -","- C64 H88 Cl12 N12 O8 -","4","1","BM5115","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010837","","","0.71073","MoKα","","0.1993","0.1714","","","0.3678","0.3791","","","","","","1.236","","","","has coordinates,has Fobs","220586","2020-10-21","18:00:00",""
"2108502","9.5177","0.0001","9.5177","0.0001","7.538","0.001","90","","90","","120","","591.36","0.08","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0183","0.0183","","","0.0454","0.0454","","","","0.98","0.98","0.98","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108503","9.5245","0.0001","9.5245","0.0001","7.5481","0.0001","90","","90","","120","","592.997","0.012","293","0.1","293","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0124","0.0124","","","0.0246","0.0246","","","","0.99","0.99","0.99","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108504","9.5291","0.0001","9.5291","0.0001","7.5601","0.0001","90","","90","","120","","594.514","0.012","350","0.1","350","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0209","0.0209","","","0.0524","0.0524","","","","1.01","1.01","1.01","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108505","9.5301","0.0002","9.5301","0.0002","7.5615","0.0001","90","","90","","120","","594.749","0.019","360","0.1","360","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0138","0.0138","","","0.03","0.03","","","","1.04","1.04","1.04","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108506","9.5351","0.0001","9.5351","0.0001","7.5633","0.0001","90","","90","","120","","595.515","0.012","364.8","0.6","365","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.02","0.02","","","0.0499","0.0499","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108507","9.5349","0.0002","9.5349","0.0002","7.5641","0.0001","90","","90","","120","","595.553","0.019","370","0.1","370","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0155","0.0155","","","0.039","0.039","","","","0.99","0.99","0.99","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108508","9.5359","0.0002","9.5359","0.0002","7.5659","0.0002","90","","90","","120","","595.82","0.02","379.99","0.1","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0208","0.0208","","","0.055","0.055","","","","1","1","1","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108509","9.5364","0.0002","9.5364","0.0002","7.5677","0.0002","90","","90","","120","","596.02","0.02","389.99","0.1","390","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0211","0.0211","","","0.0578","0.0578","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108510","9.5394","0.0002","9.5394","0.0002","7.5693","0.0001","90","","90","","120","","596.525","0.019","500","0.1","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0231","0.0231","","","0.0637","0.0637","","","","0.99","0.99","0.99","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108511","6.8785","0.0001","8.6396","0.0001","12.8573","0.0002","90","","94.351","0.001","90","","761.875","0.018","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Metronidazole","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","Kalaiarasi, Chinnasamy; Christy, George; Gonnade, Rajesh G.; Hathwar, Venkatesha R.; Kumaradhas, Poomani","Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619011272","","x-ray","0.71073","MoKα","","0.0371","0.0319","","","0.0927","0.0963","","","","","","1.045","","","","has coordinates,has Fobs","220588","2020-10-21","18:00:00",""
"2108512","7.2015","0.0001","12.2326","0.0001","21.3487","0.0003","90","","90","","90","","1880.67","0.04","297.56","0.16","297.56","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan","Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619011739","","x-ray","1.54184","CuKα","","0.0472","0.046","","","0.1212","0.1234","","","","","","1.049","","","","has coordinates,has Fobs","223447","2020-10-21","18:00:00",""
"2108513","7.333","0.0001","29.3095","0.0004","8.8046","0.0001","90","","94.748","0.001","90","","1885.85","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Polymorph of Agometaline-hydroquinone (1:1) cocrystal","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","2","","Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan","Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619011739","","x-ray","1.54184","CuKα","","0.0519","0.0485","","","0.1281","0.1331","","","","","","1.056","","","","has coordinates,has Fobs","223447","2020-10-21","18:00:00",""
"2108514","21.3047","0.0016","3.7345","0.0002","35.1825","0.0019","90","","93.364","0.006","90","","2794.4","0.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H12 N6 -","- C18 H12 N6 -","- C144 H96 N48 -","8","1","","Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang","Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012514","","x-ray","0.71073","MoKα","","0.0989","0.0605","","","0.1433","0.1613","","","","","","1.036","","","","has coordinates,has Fobs","280060","2022-12-29","10:53:48",""
"2108515","8.5689","0.0003","6.4113","0.0002","8.8248","0.0004","90","","110.2","0.004","90","","455","0.03","295","1","295","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C14 H18 Br2 N4 O4 -","2","0.5","AW5028","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0277","0.0243","","","0.0569","0.0584","","","","","","1.062","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108516","6.5954","0.0002","8.7764","0.0002","8.8564","0.0003","72.14","0.002","84.002","0.002","81.83","0.002","481.98","0.03","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 I N2 O2 -","- C7 H9 I N2 O2 -","- C14 H18 I2 N4 O4 -","2","1","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0253","0.0221","","","0.0483","0.0495","","","","","","1.079","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108517","8.1234","0.0003","6.6252","0.0002","8.5799","0.0003","90","","98.712","0.003","90","","456.44","0.03","295","1","295","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 N3 O5 -","- C7 H9 N3 O5 -","- C14 H18 N6 O10 -","2","0.5","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0502","0.041","","","0.1105","0.1186","","","","","","1.09","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108518","7.9756","0.0001","7.9803","0.0001","28.2986","0.0003","84.468","0.001","84.229","0.001","89.897","0.001","1783.61","0.04","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","4","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0581","0.052","","","0.1346","0.1383","","","","","","1.13","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108519","12.8927","0.0002","4.97471","0.0001","31.5518","0.0007","90","","90","","90","","2023.65","0.07","295","1","295","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H10 N2 O6 S -","- C7 H10 N2 O6 S -","- C56 H80 N16 O48 S8 -","8","2","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0535","0.0443","","","0.1138","0.1204","","","","","","1.059","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2108520","11.2876","0.0003","13.9536","0.0003","17.5279","0.0005","90","","96.808","0.003","90","","2741.23","0.12","295","0.1","295","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 I3 N2 O2.5 -","- C7 H10 I3 N2 O2.5 -","- C56 H80 I24 N16 O20 -","8","2","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0684","0.0377","","","0.0602","0.0695","","","","","","1.043","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2108521","8.1905","0.0012","8.1905","0.0012","7.099","0.0014","90","","90","","120","","412.43","0.12","100","2","100","2","","","","","","","","5","P 3","P 3","143","hodgesmithite","","","- Cu6 H16 O21 S2 Zn -","- Cu6.76 H10 O21 S2 -","- Cu6.76 H10 O21 S2 -","1","0.333333","","Elliott, Peter","Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure","Acta Crystallographica Section B","2019","75","6","","","10.1107/S205252061901343X","","","0.71073","MoKα","","0.0275","0.0272","","","0.0792","0.0797","","","","","","0.759","","","","has coordinates,has Fobs","227861","2020-10-21","18:00:00",""
"2108522","16.638","0.0004","12.0355","0.0003","15.4979","0.0004","90","","107.668","0.001","90","","2957.02","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl N5 O7 S -","- C24 H40 Cl N5 O7 S -","- C96 H160 Cl4 N20 O28 S4 -","4","1","LO5057","Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu","Solvates of acotiamide hydrochloride: characterization and phase transformation","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013428","","","1.54178","CuKα","","0.0628","0.0519","","","0.1463","0.1564","","","","","","1.031","","","","has coordinates,has Fobs","227862","2020-10-21","18:00:00",""
"2108523","8.0881","0.0004","11.276","0.0007","16.2993","0.0011","98.21","0.005","95.377","0.005","101.106","0.005","1432.44","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H37 Cl N4 O6 S2 -","- C23 H37 Cl N4 O6 S2 -","- C46 H74 Cl2 N8 O12 S4 -","2","1","","Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu","Solvates of acotiamide hydrochloride: characterization and phase transformation","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013428","","","1.54184","CuKα","","0.0713","0.0546","","","0.1456","0.1626","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","227862","2020-10-21","18:00:00",""
"2108524","10.4385","0.0011","10.7052","0.0011","14.2725","0.0014","90.444","0.002","95.087","0.003","113.92","0.002","1450.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H37 Cl N4 O6 S2 -","- C23 H37 Cl N4 O6 S2 -","- C46 H74 Cl2 N8 O12 S4 -","2","1","","Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu","Solvates of acotiamide hydrochloride: characterization and phase transformation","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013428","","","0.71073","MoKα","","0.0834","0.0558","","","0.1481","0.1656","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","227862","2020-10-21","18:00:00",""
"2108525","16.508","0.001","11.873","0.001","15.442","0.001","90","","103.917","0.001","90","","2937.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 Cl N4 O7 S2 -","- C23 H39 Cl N4 O7 S2 -","- C92 H156 Cl4 N16 O28 S8 -","4","1","","Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu","Solvates of acotiamide hydrochloride: characterization and phase transformation","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013428","","","0.71073","MoKα","","0.0839","0.0472","","","0.1118","0.1276","","","","","","1.02","","","","has coordinates,has Fobs","227862","2020-10-21","18:00:00",""
"2108526","11.55","0.0013","15.6355","0.0016","18.5836","0.0019","93.782","0.004","99.353","0.004","105.965","0.004","3161.9","0.6","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H82 Cl2 N8 O14 S4 -","- C50 H82 Cl2 N8 O14 S4 -","- C100 H164 Cl4 N16 O28 S8 -","2","1","","Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu","Solvates of acotiamide hydrochloride: characterization and phase transformation","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013428","","","0.71073","MoKα","","0.1369","0.0882","","","0.2047","0.2402","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","227862","2020-10-21","18:00:00",""
"2108527","10.0612","0.0005","14.6933","0.0006","14.3275","0.0009","72.2555","0.0005","71.6334","0.0005","87.9619","0.0004","1910.25","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N2 S5 Si2 -","- C40 H28 N2 S5 Si2 -","- C80 H56 N4 S10 Si4 -","2","1","","Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.","Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012484","","x-ray","0.71073","MoKα","","0.3198","0.05","","","0.0454","0.0806","","","","1.63","1.63","1.26","","","","has coordinates,has Fobs","227863","2020-10-21","18:00:00",""
"2108528","9.805","0.001","14.4191","0.0007","14.4368","0.0009","72.3867","0.0005","72.9136","0.0005","87.8897","0.0004","1856.5","0.2","85.02","0.1","85.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N2 S5 Si2 -","- C40 H36 N2 S5 Si2 -","- C80 H72 N4 S10 Si4 -","2","1","","Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.","Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012484","","x-ray","0.71073","MoKα","","0.1658","0.0587","","","0.048","0.064","","","","1.49","1.49","1.24","","","","has coordinates,has Fobs","227863","2020-10-21","18:00:00",""
"2108529","11.1292","0.0009","18.8549","0.0014","19.3898","0.0014","90","","99.51","0.002","90","","4012.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H31.4 Cu2 N5 O12.7 S2 -","- C39 H31.4 Cu2 N5 O12.7 S2 -","- C156 H125.6 Cu8 N20 O50.8 S8 -","4","1","UM5032","Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru","Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013209","","","0.71073","MoKα","","0.0485","0.0383","","","0.0966","0.102","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","227864","2020-10-21","18:00:00",""
"2108530","11.123","0.007","23.956","0.015","16.026","0.01","90","","107.374","0.009","90","","4075","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cu2 N5 O14 S2 -","- C38 H37 Cu2 N5 O14 S2 -","- C152 H148 Cu8 N20 O56 S8 -","4","1","","Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru","Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013209","","","0.71073","MoKα","","0.1137","0.0612","","","0.1435","0.1663","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","227864","2020-10-21","18:00:00",""
"2108531","8.321","0.002","8.321","0.002","8.321","0.002","90","","90","","90","","576.1","0.2","292","2","292","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Fe0.66 Mg0.34 O4 -","- Cr2 Fe0.663 Mg0.337 O4 -","- Cr16 Fe5.304 Mg2.696 O32 -","8","0.0416667","RR5182","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0171","0.0161","","","0.0434","0.0441","","","","","","1.408","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108532","8.321","0.002","8.321","0.002","8.321","0.002","90","","90","","90","","576.1","0.2","292","2","292","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Fe0.66 Mg0.34 O4 -","- Cr2 Fe0.664 Mg0.336 O4 -","- Cr16 Fe5.312 Mg2.688 O32 -","8","0.0416667","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.02","0.0189","","","0.051","0.0521","","","","","","1.275","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108533","8.321","0.002","8.321","0.002","8.321","0.002","90","","90","","90","","576.1","0.2","292","2","292","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Fe0.65 Mg0.35 O4 -","- Cr2 Fe0.647 Mg0.353 O4 -","- Cr16 Fe5.176 Mg2.824 O32 -","8","0.0416667","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0276","0.0271","","","0.0694","0.0697","","","","","","1.287","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108534","8.321","0.002","8.321","0.002","8.321","0.002","90","","90","","90","","576.1","0.2","292","2","292","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Fe0.67 Mg0.33 O4 -","- Cr2 Fe0.665 Mg0.335 O4 -","- Cr16 Fe5.32 Mg2.68 O32 -","8","0.0416667","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0273","0.0264","","","0.0672","0.068","","","","","","1.169","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108535","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0588","0.0481","","","0.0959","0.1019","","","","","","1.056","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108536","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0718","0.0581","","","0.1155","0.126","","","","","","1.071","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108537","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0738","0.0588","","","0.1137","0.1246","","","","","","1.07","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108538","8.627","0.002","15.358","0.002","23.033","0.003","90","","94.45","0.02","90","","3042.5","0.9","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H54 O Ti Zr -","- C33 H54 O Ti Zr -","- C132 H216 O4 Ti4 Zr4 -","4","2","","Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine","Non-merohedral twinning: from minerals to proteins","Acta Crystallographica Section D Structural Biology","2019","75","12","","","10.1107/S2059798319010179","","","0.71073","MoKα","","0.0814","0.0624","","","0.1186","0.1314","","","","","","1.081","","","","has coordinates,has Fobs","231076","2020-10-21","18:00:00",""
"2108539","10.3279","0.0002","10.434","0.0002","14.3794","0.0002","93.4888","0.0012","107.321","0.0014","109.663","0.0014","1370.49","0.05","293","","295","3","","","","","","","","6","P -1","-P 1","2","","","","- Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86 -","- Al9.107 Ca5.986 Fe30.693 Mg5.332 O72 Si0.86 -","- Al9.107 Ca5.986 Fe30.693 Mg5.332 O72 Si0.86 -","1","0.5","","Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue","Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619014380","","x-ray","0.72931","","","0.0441","0.037","","","0.0543","0.0564","","","","1.82","1.82","1.58","","","","has coordinates,has Fobs","231194","2020-10-21","18:00:00",""
"2108540","10.3277","0.0002","27.0134","0.0004","10.4344","0.0002","90","","109.668","0.002","90","","2741.22","0.09","293","","295","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Al18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72 -","- Al18.24 Ca11.96 Fe61.388 Mg10.676 O144 Si1.72 -","- Al18.24 Ca11.96 Fe61.388 Mg10.676 O144 Si1.72 -","1","0.25","","Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue","Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619014380","","x-ray","0.72931","","","0.0441","0.037","","","0.0543","0.0564","","","","1.82","1.82","1.58","","","","has coordinates","231194","2020-10-21","18:00:00",""
"2108541","6.7036","0.0004","7.426","0.0004","10.1296","0.0007","90","","107.469","0.006","90","","481","0.05","100","1","100","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- F7 H12 N5 O Ru Si -","- F7 H12 N5 O Ru Si -","- F14 H24 N10 O2 Ru2 Si2 -","2","1","","Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik","Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes","Acta Crystallographica Section B","2019","75","6","","","10.1107/S205252061901357X","","x-ray","0.71073","MoKα","","0.0237","0.022","","","0.0472","0.0488","","","","","","1.0232","","","","has coordinates,has Fobs","231195","2020-10-21","18:00:00",""
"2108542","9.331","0.0001","9.331","0.0001","9.331","0.0001","90","","90","","90","","812.427","0.015","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","ammonium tantalum oxide fluoride","","","- F6 H12 N3 O Ta -","- F6.9984 H11.9976 N3 Ta -","- F27.9936 H47.9904 N12 Ta4 -","4","0.0208333","","Udovenko, Anatoly A.; Laptash, Natalia M.","Ammonium tantalum oxide fluorides: new features of dynamic disorder","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013994","","","0.71073","MoKα","","0.0059","0.0059","","","0.0139","0.0139","","","","","","1.167","","","","has coordinates,has Fobs","231196","2020-10-21","18:00:00",""
"2108543","8.5414","0.0001","8.5414","0.0001","41.4381","0.0004","90","","90","","120","","2618.11","0.05","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","ammonium tantalum oxide fluoride","","","- F7.66 H12 N3 O0.17 Ta -","- F15.676 H3 N6 Ta1.998 -","- F94.0557 H18 N36 Ta11.988 -","6","0.166667","","Udovenko, Anatoly A.; Laptash, Natalia M.","Ammonium tantalum oxide fluorides: new features of dynamic disorder","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013994","","","0.71073","MoKα","","0.0365","0.0345","","","0.1004","0.1014","","","","","","1.188","","","","has coordinates,has Fobs","231196","2020-10-21","18:00:00",""
"2108544","11.5018","0.0001","8.5736","0.0001","33.4597","0.0004","90","","90","","90","","3299.52","0.06","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","ammonium tantalum oxide fluoride","","","- F7.5 H11 N2.75 O0.125 Ta -","- F30.5146 N11 Ta4.001 -","- F122.058 N44 Ta16.004 -","4","0.5","","Udovenko, Anatoly A.; Laptash, Natalia M.","Ammonium tantalum oxide fluorides: new features of dynamic disorder","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013994","","","0.71073","MoKα","","0.0402","0.0331","","","0.0857","0.0901","","","","","","1.097","","","","has coordinates,has Fobs","231196","2020-10-21","18:00:00",""
"2108545","35.0618","0.0009","8.5377","0.0002","22.7987","0.0005","90","","108.991","0.001","90","","6453.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium tantalum oxide fluoride","","","- F7.5 H11 N2.75 O0.125 Ta -","- F61.0204 N22 Ta8 -","- F244.082 N88 Ta32 -","4","1","","Udovenko, Anatoly A.; Laptash, Natalia M.","Ammonium tantalum oxide fluorides: new features of dynamic disorder","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013994","","","0.71073","MoKα","","0.0425","0.037","","","0.0831","0.0856","","","","","","1.038","","","","has coordinates,has Fobs","231196","2020-10-21","18:00:00",""
"2108546","5.8613","0.0002","5.8613","0.0002","10.5817","0.0003","90","","90","","90","","363.53","0.02","120","2","120","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","ammonium heptafluorotantalate","ammonium heptafluorotantalate","","- F7 H8 N2 Ta -","- F7 H5 N2 Ta -","- F14 H10 N4 Ta2 -","2","0.125","","Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.","Fluxional seven-coordinated fluorido- and oxofluoridotantalates","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013465","","","0.71073","MoKα","","0.0122","0.0122","","","0.0307","0.0307","","","","","","1.046","","","","has coordinates,has Fobs","231197","2020-10-21","18:00:00",""
"2108547","8.2419","0.0005","8.2749","0.0005","10.5694","0.0007","90","","90","","90","","720.84","0.08","123","2","123","2","","","","","","","","3","C m m a","-C 2a 2","67","rubidium heptafluorotantalate","rubidium heptafluorotantalate","","- F7 Rb2 Ta -","- F7 Rb2 Ta -","- F28 Rb8 Ta4 -","4","0.25","","Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.","Fluxional seven-coordinated fluorido- and oxofluoridotantalates","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013465","","","0.71073","MoKα","","0.0237","0.0222","","","0.059","0.0597","","","","","","1.147","","","","has coordinates,has Fobs","231197","2020-10-21","18:00:00",""
"2108548","5.9118","0.0003","5.9118","0.0003","10.6173","0.001","90","","90","","90","","371.07","0.04","297","2","297","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","rubidium heptafluorotantalate","rubidium heptafluorotantalate","","- F7 Rb2 Ta -","- F7 Rb2 Ta -","- F14 Rb4 Ta2 -","2","0.125","","Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.","Fluxional seven-coordinated fluorido- and oxofluoridotantalates","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013465","","","0.71073","MoKα","","0.0294","0.0227","","","0.0529","0.0576","","","","","","1.177","","","","has coordinates,has Fobs","231197","2020-10-21","18:00:00",""
"2108549","9.1842","0.0002","9.1842","0.0002","9.1842","0.0002","90","","90","","90","","774.68","0.03","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","rubidium tantalum oxide fluoride","","","- F6 O Rb3 Ta -","- F6.9984 Rb2.947 Ta1.002 -","- F27.9936 Rb11.788 Ta4.008 -","4","0.0208333","","Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.","Fluxional seven-coordinated fluorido- and oxofluoridotantalates","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013465","","","0.71073","MoKα","","0.0096","0.0096","","","0.0204","0.0204","","","","","","1.058","","","","has coordinates,has Fobs","231197","2020-10-21","18:00:00",""
"2108550","12.1601","0.0003","17.2511","0.0003","6.7758","0.0002","90","","100.715","0.002","90","","1396.61","0.06","244.9","0.2","244.9","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 Fe N2 O12 S2 -","- C5 H15 Fe N2 O12 S2 -","- C20 H60 Fe4 N8 O48 S8 -","4","0.5","","Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam","The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013155","","x-ray","0.71073","MoKα","","0.0604","0.0328","","","0.079","0.0887","","","","1.68","1.68","1.34","","","","has coordinates,has Fobs","231198","2020-10-21","18:00:00",""
"2108551","12.175","0.011","17.217","0.005","6.769","0.002","90","","100.87","0.04","90","","1393.4","1.4","194.9","0.2","194.9","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H15 Fe N2 O12 S2 -","- C5 H15 Fe N2 O12 S2 -","- C20 H60 Fe4 N8 O48 S8 -","4","0.5","","Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam","The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013155","","x-ray","0.71073","MoKα","","0.0475","0.0307","","","0.07","0.0747","","","","2.28","2.28","2.01","","","","has coordinates,has Fobs","231198","2020-10-21","18:00:00",""
"2108552","10.516","0.004","11.873","0.004","13.099","0.004","65.34","0.03","77.51","0.03","68.73","0.03","1381","0.9","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H15 Fe N2 O12 S2 -","- C5 H15 Fe N2 O12 S2 -","- C20 H60 Fe4 N8 O48 S8 -","4","2","","Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam","The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013155","","","0.71073","MoKα","","0.0371","0.0268","","","0.0746","0.0772","","","","","","0.984","","","","has coordinates,has Fobs","231198","2020-10-21","18:00:00",""
"2108553","13.4002","0.0003","7.4869","0.0002","14.5329","0.0003","90","","90.059","0.002","90","","1458.03","0.06","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Caesium borophosphate hydroxide","Caesium Borodiphosphate Dihydroxide","","- B Cs H2 O8 P2 -","- B Cs H2 O8 P2 -","- B8 Cs8 H16 O64 P16 -","8","1","JE5022","Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander","Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013763","","","0.71073","MoKα","","0.0434","0.0344","","","0.0653","0.0684","","","","","","1.133","","","","has coordinates,has Fobs","232449","2020-10-21","18:00:00",""
"2108554","9.6292","0.0003","9.6292","0.0003","15.8051","0.0005","90","","90","","120","","1269.14","0.07","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","Caesium manganese borophosphate hydrate","Caesium Diaquamanganese (II,III) Borodiphosphate Hydrate","","- B Cs0.51 H4.9 Mn1.17 O10.45 P2 -","- B Cs0.516 H4 Mn1.166 O10.45 P2 -","- B6 Cs3.096 H24 Mn6.996 O62.7 P12 -","6","0.5","","Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander","Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013763","","","0.71073","MoKα","","0.0699","0.0614","","","0.096","0.0987","","","","","","1.264","","","","has coordinates,has Fobs","232449","2020-10-21","18:00:00",""
"2108555","9.1494","0.0003","8.6991","0.0002","9.6413","0.0003","90","","100.141","0.002","90","","755.38","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Caesium manganese borophosphate hydroxide","Caesium manganese (III) Borodiphosphate Hydroxide","","- B Cs H Mn O9 P2 -","- B Cs H Mn O9 P2 -","- B4 Cs4 H4 Mn4 O36 P8 -","4","1","","Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander","Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013763","","","0.71073","MoKα","","0.0353","0.0294","","","0.0532","0.0551","","","","","","1.161","","","","has coordinates,has Fobs","232449","2020-10-21","18:00:00",""
"2108556","8.0448","0.0011","9.9408","0.0014","17.371","0.003","104.203","0.002","90.628","0.003","91.751","0.004","1345.9","0.4","220","","220","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 N6 O6 -","- C64 H60 N6 O6 -","- C64 H60 N6 O6 -","1","0.5","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.0963","0.0656","","","0.1931","0.2223","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","232453","2020-10-21","18:00:00",""
"2108557","8.9669","0.0016","36.365","0.006","9.6042","0.0019","90","","94.898","0.006","90","","3120.3","1","230","","230","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N4 O3 -","- C38 H32 N4 O3 -","- C152 H128 N16 O12 -","4","1","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.1427","0.0584","","","0.1367","0.1737","","","","","","1.01","","","","has coordinates,has Fobs","232453","2020-10-21","18:00:00",""
"2108558","9.718","0.003","12.072","0.004","15.426","0.005","72.697","0.004","72.681","0.005","67.465","0.006","1560.9","0.9","220","","220","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N4 O3 -","- C38 H32 N4 O3 -","- C76 H64 N8 O6 -","2","1","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.1272","0.0758","","","0.2224","0.2831","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","232453","2020-10-21","18:00:00",""
"2108559","24.4184","0.0016","6.5303","0.0004","12.7495","0.0008","90","","90.172","0.004","90","","2033","0.2","230","","230","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","1","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.0773","0.0468","","","0.1062","0.1207","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","232453","2020-10-21","18:00:00",""
"2108560","12.215","0.003","15.89","0.004","17.769","0.005","114.901","0.006","92.443","0.007","111.284","0.006","2835.9","1.3","220","","220","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H60 N6 O7 -","- C67 H60 N6 O7 -","- C134 H120 N12 O14 -","2","1","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.1294","0.0616","","","0.1623","0.2094","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","232453","2020-10-21","18:00:00",""
"2108561","11.765","0.003","11.892","0.003","12.314","0.003","95.213","0.007","111.706","0.006","114.134","0.006","1400","0.6","220","","220","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N3 O4 -","- C33 H31 N3 O4 -","- C66 H62 N6 O8 -","2","1","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.1343","0.0636","","","0.1669","0.2188","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","232453","2020-10-21","18:00:00",""
"2108562","17.606","0.006","7.969","0.003","42.568","0.014","90","","97.006","0.007","90","","5928","4","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N8 O3 -","- C34 H28 N8 O3 -","- C272 H224 N64 O24 -","8","1","","Peng, Bo; He, Hongyan; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013477","","","0.71073","MoKα","","0.1538","0.0732","","","0.1894","0.2413","","","","","","1.018","","","","has coordinates,has Fobs","232453","2020-10-21","18:00:00",""
"2108563","11.351","0.003","16.259","0.006","9.589","0.003","90","","107.41","0.03","90","","1688.6","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 N2 O -","- C18 H14 Cl2 N2 O -","- C72 H56 Cl8 N8 O4 -","4","1","XK5059","Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime","Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013271","","","0.71073","MoKα","","0.1764","0.0757","","","0.1851","0.2316","","","","","","1.056","","","","has coordinates,has Fobs","242979","2020-10-21","18:00:00",""
"2108564","11.984","0.003","9.537","0.002","26.808","0.007","90","","90","","90","","3063.9","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C144 H112 F16 N16 O8 -","8","1","","Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime","Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013271","","","0.71073","MoKα","","0.1282","0.0623","","","0.1498","0.183","","","","","","1.05","","","","has coordinates,has Fobs","242979","2020-10-21","18:00:00",""
"2108565","4.4932","0.0005","10.9707","0.0011","18.786","0.002","76.483","0.009","83.305","0.009","78.976","0.009","881.25","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl4 N2 O -","- C18 H12 Cl4 N2 O -","- C36 H24 Cl8 N4 O2 -","2","1","","Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime","Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013271","","","0.71073","MoKα","","0.0728","0.0518","","","0.1256","0.1416","","","","","","1.037","","","","has coordinates,has Fobs","242979","2020-10-21","18:00:00",""
"2242776","7.6152","0.0003","15.5513","0.0006","7.5891","0.0003","90","","115.883","0.0018","90","","808.59","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","ZP2031","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0617","0.0428","","","0.1185","0.1298","","","","","","1.024","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242777","15.1575","0.0008","3.9638","0.0002","14.6181","0.0008","90","","113.839","0.0019","90","","803.35","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0442","0.0392","","","0.1123","0.1174","","","","","","1.029","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242778","3.878","0.0003","11.5513","0.0007","17.8153","0.0012","90","","91.808","0.002","90","","797.66","0.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0483","0.039","","","0.113","0.1237","","","","","","1.019","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242779","11.7602","0.0005","13.8957","0.0006","11.4352","0.0005","90","","118.642","0.002","90","","1640.03","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Brugman, Sander J. T.; Engwerda, Anthonius H. J.; Kalkman, Emma; de Ronde, Erik; Tinnemans, Paul; Vlieg, Elias","The crystal structures of four dimethoxybenzaldehyde isomers","Acta Crystallographica Section E","2019","75","1","38","42","10.1107/S2056989018017152","","","0.71073","MoKα","","0.0531","0.042","","","0.116","0.1255","","","","","","1.049","","","","has coordinates,has Fobs","212546","2020-10-21","18:00:00",""
"2242780","12.1783","0.0006","5.7217","0.0003","14.8258","0.0007","90","","95.74","0.001","90","","1027.89","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Dichloromethyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C10 H8 Cl2 N2 O -","- C10 H8 Cl2 N2 O -","- C40 H32 Cl8 N8 O4 -","4","1","XU5953","Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-dichloromethyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-2-one","Acta Crystallographica Section E","2019","75","1","33","37","10.1107/S205698901801681X","","","1.54178","CuKα","","0.0285","0.0282","","","0.0735","0.0737","","","","","","1.045","","","","has coordinates,has Fobs","212547","2020-10-21","18:00:00",""
"2242781","3.8018","0.0004","15.6027","0.0016","11.9755","0.0012","90","","90.889","0.002","90","","710.28","0.13","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxybenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","HB7789","Chia, Tze Shyang; Kwong, Huey Chong; Wong, Qin Ai; Quah, Ching Kheng; Arafath, Md. Azharul","Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with <i>Z</i>' = 1","Acta Crystallographica Section E","2019","75","1","8","11","10.1107/S2056989018016900","","","0.71073","MoKα","","0.0508","0.0383","","","0.1049","0.1132","","","","","","1.036","","","","has coordinates,has Fobs","212548","2020-10-21","18:00:00",""
"2242782","44.4837","0.0012","4.7293","0.0001","18.3432","0.0005","90","","106.965","0.002","90","","3691.05","0.17","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","VM2214","Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile","Acta Crystallographica Section E","2019","75","1","21","25","10.1107/S2056989018017267","","","1.54178","CuKα","","0.0714","0.0505","","","0.1225","0.1343","","","","","","1.049","","","","has coordinates,has Fobs","212549","2020-10-21","18:00:00",""
"2242783","18.7368","0.0015","6.8399","0.0006","18.5652","0.0015","90","","90","","90","","2379.3","0.3","297","2","297","2","","","","","","","","3","C m c m","-C 2c 2","63","","Dicalcium octaoxidotritellurate(IV)","","- Ca2 O8 Te3 -","- Ca2 O8 Te3 -","- Ca24 O96 Te36 -","12","0.75","","Weil, Matthias","Ca~2~Te~3~O~8~, a new phase in the CaO‒TeO~2~ system","Acta Crystallographica Section E","2019","75","1","26","29","10.1107/S2056989018017310","","","0.71073","MoKα","","0.0298","0.0228","","","0.042","0.0433","","","","","","1.115","","","","has coordinates,has Fobs","212551","2020-10-21","18:00:00",""
"2242784","3.5342","0.0002","3.9822","0.0003","12.8414","0.0008","90","","90","","90","","180.73","0.02","296","2","296","2","","","","","","","","3","I m m m","-I 2 2","71","","Distrontium palladium trioxide","","- O3 Pd Sr2 -","- O3 Pd Sr2 -","- O6 Pd2 Sr4 -","2","0.125","WM5474","Thakur, Gohil S.; Reuter, Hans; Felser, Claudia; Jansen, Martin","Redetermination of Sr~2~PdO~3~ from single-crystal X-ray data","Acta Crystallographica Section E","2019","75","1","30","32","10.1107/S2056989018017176","","","0.71073","MoKα","","0.009","0.009","","","0.0212","0.0212","","","","","","1.274","","","","has coordinates,has Fobs","212552","2020-10-21","18:00:00",""
"2242785","3.886","0.0005","13.2324","0.0016","24.199","0.003","90","","91.963","0.002","90","","1243.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 F N O3 -","- C15 H10 F N O3 -","- C60 H40 F4 N4 O12 -","4","1","IS5506","Wong, Qin Ai; Chia, Tze Shyang; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul","Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (<i>E</i>)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","1","53","57","10.1107/S2056989018017450","","","0.71073","MoKα","","0.0541","0.0425","","","0.1247","0.1375","","","","","","1.039","","","","has coordinates,has Fobs","212634","2020-10-21","18:00:00",""
"2242786","14.0947","0.0003","14.0947","0.0003","18.0603","0.0005","90","","90","","120","","3107.19","0.13","296","","296","","","","","","","","","4","R -3","-R 3","148","","Poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]","","- C18 H54 Er2 O36 -","- C18 H54 Er2 O36 -","- C54 H162 Er6 O108 -","3","","HB7788","Ponjan, Nutcha; Kodchasanthong, Kenika; Jiajaroen, Suwadee; Chainok, Kittipong","Crystal structure of poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]","Acta Crystallographica Section E","2019","75","1","64","67","10.1107/S2056989018017516","","x-ray","0.71073","MoKα","","0.0372","0.023","","","0.0362","0.0416","","","","","","1.082","","","","has coordinates,has Fobs","212635","2020-10-21","18:00:00",""
"2242787","7.6218","0.0005","8.5238","0.0005","11.1093","0.0007","95.739","0.003","98.88","0.003","94.979","0.003","705.66","0.08","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","4-Allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C15 H11 Br Cl N3 -","- C15 H11 Br Cl N3 -","- C30 H22 Br2 Cl2 N6 -","2","1","IS5505","Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Haoudi, Amal; Renard, Catherine; Capet, Frédéric","Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2019","75","1","43","48","10.1107/S2056989018017322","","","0.71073","MoKα","","0.0535","0.0353","","","0.0821","0.089","","","","","","1.025","","","","has coordinates,has Fobs","212636","2020-10-21","18:00:00",""
"2242788","6.009","0.0004","10.8695","0.0007","20.5616","0.0012","102.803","0.001","96.938","0.001","97.276","0.001","1283.57","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(4-Bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C60 H40 Br4 F4 O4 -","4","2","RZ5249","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Anis, Mohamad Zahid; Arshad, Suhana","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","1","58","63","10.1107/S2056989018017371","","","0.71073","MoKα","","0.0747","0.0477","","","0.1417","0.1581","","","","","","1.043","","","","has coordinates,has Fobs","212637","2020-10-21","18:00:00",""
"2242789","26.296","0.005","7.9996","0.0015","16.987","0.004","90","","129.165","0.01","90","","2770.5","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-Methylenebis(isoindoline-1,3-dione)","","- C17 H10 N2 O4 -","- C17 H10 N2 O4 -","- C136 H80 N16 O32 -","8","1","JJ2205","Chia, Tze Shyang; Kwong, Huey Chong; Sim, Ai Jia; Ng, Weng Zhun; Wong, Qin Ai; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul","Conformational dimorphism of 2,2'-methylenebis(isoindoline-1,3-dione)","Acta Crystallographica Section E","2019","75","1","49","52","10.1107/S2056989018017425","","","0.71073","MoKα","","0.1471","0.0632","","","0.1226","0.1581","","","","","","1.021","","","","has coordinates,has Fobs","212638","2020-10-21","18:00:00",""
"2242790","10.4324","0.0012","16.5656","0.0019","14.0448","0.0017","90","","100.707","0.003","90","","2385","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>RS</i>)-4-(3-Carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate","","- C25 H24 F3 N3 O7 -","- C25 H24 F3 N3 O7 -","- C100 H96 F12 N12 O28 -","4","1","WM5472","Feng, Sheng; Zhu, Gui-Liang; Sun, Jia-Jia; Chen, Chen; Zhang, Zhi-Hui","Crystal structure of (<i>RS</i>)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate","Acta Crystallographica Section E","2019","75","1","68","70","10.1107/S2056989018016961","","","0.71073","MoKα","","0.0831","0.0541","","","0.1417","0.1612","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","212639","2020-10-21","18:00:00",""
"2242791","5.4603","0.0001","12.7845","0.0003","15.6474","0.0004","90","","97.281","0.002","90","","1083.49","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","FF2157","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin","Crystal structure of 3,6-bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2019","75","1","86","88","10.1107/S205698901801753X","","","1.54184","CuKα","","0.0419","0.0354","","","0.091","0.0953","","","","","","1.122","","","","has coordinates,has Fobs","212652","2020-10-21","18:00:00",""
"2242792","16.3393","0.0018","13.4977","0.0019","9.7461","0.0011","90","","113.442","0.008","90","","1972","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-[Ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)","","- C16 H20 N2 O6 S2 -","- C16 H20 N2 O6 S2 -","- C64 H80 N8 O24 S8 -","4","0.5","XU5951","Meral, Seher; Kansiz, Sevgi; Dege, Necmi; Alaman Agar, Aysen; Tsapyuk, Galyna G.","Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2019","75","1","81","85","10.1107/S2056989018017437","","","0.71073","MoKα","","0.0962","0.0472","","","0.1003","0.1157","","","","","","0.903","","","","has coordinates,has Fobs","212653","2020-10-21","18:00:00",""
"2242793","10.509","0.009","7.435","0.006","21.367","0.016","90","","103.041","0.015","90","","1626","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C80 H68 N12 O12 -","4","1","LH5888","El Ghayati, Lhoussaine; Ramli, Youssef; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine","Acta Crystallographica Section E","2019","75","1","94","98","10.1107/S2056989018017565","","","0.71073","MoKα","","0.0577","0.0478","","","0.1301","0.1347","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","212655","2020-10-21","18:00:00",""
"2242794","7.8595","0.0004","11.8831","0.0007","15.5716","0.0009","90","","101.853","0.001","90","","1423.3","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(5-Nitro-1<i>H</i>-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole","","- C17 H14 N4 O3 -","- C17 H14 N4 O3 -","- C68 H56 N16 O12 -","4","1","DX2013","Boulhaoua, Mohammed; Kansiz, Sevgi; El Hafi, Mohamed; Lahmidi, Sanae; Dege, Necmi; Benchidmi, Mohammed; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1<i>H</i>-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole","Acta Crystallographica Section E","2019","75","1","71","74","10.1107/S2056989018017590","","","0.71073","MoKα","","0.0496","0.0414","","","0.1161","0.1198","","","","","","1.049","","","","has coordinates,has Fobs","212656","2020-10-21","18:00:00",""
"2242795","5.25147","0.00012","14.1093","0.0003","17.769","0.0003","90","","92.0296","0.0018","90","","1315.76","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-bis(thien-2-yl)pyrido[2,3-<i>b</i>]pyrazine","2,3-Bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine","","- C15 H9 N3 S2 -","- C15 H9 N3 S2 -","- C60 H36 N12 S8 -","4","1","","Popek, Rafal; Crundwell, Guy","Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine","Acta Crystallographica Section E","2019","75","1","89","93","10.1107/S2056989018016882","","","0.71073","MoKα","","0.0669","0.0481","","","0.1336","0.1482","","","","","","1.011","","","","has coordinates,has Fobs","212657","2020-10-21","18:00:00",""
"2242796","5.8336","0.0002","29.4731","0.001","8.316","0.0003","90","","95.466","0.003","90","","1423.3","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-bromo-2,3-bis(thien-2-yl)pyrido[2,3-<i>b</i>]pyrazine","7-Bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine","","- C15 H8 Br N3 S2 -","- C15 H8 Br N3 S2 -","- C60 H32 Br4 N12 S8 -","4","1","","Popek, Rafal; Crundwell, Guy","Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine","Acta Crystallographica Section E","2019","75","1","89","93","10.1107/S2056989018016882","","","0.71073","MoKα","","0.0596","0.0425","","","0.1026","0.11","","","","","","1.079","","","","has coordinates,has Fobs","212657","2020-10-21","18:00:00",""
"2242797","12.8487","0.0005","10.8187","0.0004","11.8469","0.0005","90","","112.248","0.001","90","","1524.2","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-adamantylamine-1,2-naphthoquinone","4-[(Adamantan-1-yl)amino]naphthalene-1,2-dione","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","RZ5250","Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W.","Crystal structure of 4-[(adamantan-1-yl)amino]naphthalene-1,2-dione","Acta Crystallographica Section E","2019","75","1","99","102","10.1107/S2056989018017917","","","0.71073","MoKα","","0.0956","0.0555","","","0.1067","0.1212","","","","","","1.054","","","","has coordinates,has Fobs","212754","2020-10-21","18:00:00",""
"2242798","22.335","0.004","10.9454","0.0017","18.721","0.003","90","","110.691","0.005","90","","4281.4","1.2","162","2","162","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)","","- C48 H34 Co N14 O2 -","- C48 H34 Co N14 O2 -","- C192 H136 Co4 N56 O8 -","4","0.5","","Benabdallah, Jamila; Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Titi, Abderrahim","Crystal structure of tris(2,2'-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)","Acta Crystallographica Section E","2019","75","2","142","145","10.1107/S2056989018018261","","","0.71073","MoKα","","0.132","0.0545","","","0.0943","0.1087","","","","","","0.963","","","","has coordinates,has Fobs","213097","2020-10-21","18:00:00",""
"2242799","13.6092","0.0003","21.588","0.0007","26.5297","0.0007","90","","90","","90","","7794.3","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ethanol-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>'){μ-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>':κ^2^<i>O</i>,<i>O</i>'}{2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}discandium","","- C42 H34 N6 O11 Sc2 -","- C42 H34 N6 O11 Sc2 -","- C336 H272 N48 O88 Sc16 -","8","1","ZL2746","Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","An unsymmetrical dinuclear scandium complex comprising salophen ligands [H~2~salophen = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-phenylenediamine]","Acta Crystallographica Section E","2019","75","2","175","178","10.1107/S2056989019000094","","","0.71073","MoKα","","0.071","0.0451","","","0.09","0.0984","","","","","","1.036","","","","has coordinates,has Fobs","213098","2020-10-21","18:00:00",""
"2242800","25.913","0.002","5.9021","0.0005","19.0842","0.0016","90","","114.692","0.003","90","","2651.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Benzylammonium phenylacetate","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","1","VM2215","Hess, David; Mayer, Peter","The crystal structures of benzylammonium phenylacetate and its hydrate","Acta Crystallographica Section E","2019","75","2","194","201","10.1107/S2056989019000288","","","0.71073","MoKα","","0.0661","0.0431","","","0.0937","0.1031","","","","","","1.033","","","","has coordinates,has Fobs","213101","2020-10-21","18:00:00",""
"2242801","6.8235","0.0007","7.8766","0.0007","26.364","0.002","90","","93.218","0.003","90","","1414.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzylammonium phenylacetate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Hess, David; Mayer, Peter","The crystal structures of benzylammonium phenylacetate and its hydrate","Acta Crystallographica Section E","2019","75","2","194","201","10.1107/S2056989019000288","","","0.71073","MoKα","","0.0877","0.0753","","","0.1655","0.1702","","","","","","1.246","","","","has coordinates,has Fobs","213101","2020-10-21","18:00:00",""
"2242802","5.8613","0.0009","5.018","0.0006","18.278","0.003","90","","98.303","0.013","90","","531.96","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,3-Thiazole-2-carboxylato-κ<i>N</i>)(1,3-thiazole-2-carboxylic acid-κ<i>N</i>)silver(I)","","- C8 H5 Ag N2 O4 S2 -","- C8 H5 Ag N2 O4 S2 -","- C16 H10 Ag2 N4 O8 S4 -","2","0.5","NK2248","Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.","Crystal structure of (1,3-thiazole-2-carboxylato-κ<i>N</i>)(1,3-thiazole-2-carboxylic acid-κ<i>N</i>)silver(I)","Acta Crystallographica Section E","2019","75","2","185","188","10.1107/S2056989019000124","","","0.71073","MoKα","","0.0304","0.0198","","","0.0418","0.0437","","","","","","0.899","","","","has coordinates,has Fobs","213102","2020-10-21","18:00:00",""
"2242803","12.2358","0.0016","10.3185","0.0014","14.231","0.0019","90","","111.199","0.002","90","","1675.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(3-fluorobenzoyl)piperazine","","- C19 H19 F N2 O3 -","- C19 H19 F N2 O3 -","- C76 H76 F4 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.0502","0.0397","","","0.1084","0.1141","","","","","","1.096","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242804","14.2762","0.0009","15.9821","0.001","7.3753","0.0005","90","","90","","90","","1682.78","0.19","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(2,6-difluorobenzoyl)piperazine","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.056","0.0535","","","0.1526","0.155","","","","","","1.161","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242805","12.2889","0.0014","12.3034","0.0014","13.3667","0.0015","90","","116.295","0.001","90","","1811.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(1,3-Benzodioxol-5-yl)methyl]-4-(2,4-dichlorobenzoyl)piperazine","","- C19 H18 Cl2 N2 O3 -","- C19 H18 Cl2 N2 O3 -","- C76 H72 Cl8 N8 O12 -","4","1","ZL2747","Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Three closely related 1-[(1,3-benzodioxol-5-yl)methyl]-4-(halobenzoyl)piperazines: similar molecular structures but different intermolecular interactions","Acta Crystallographica Section E","2019","75","2","202","207","10.1107/S2056989019000458","","","0.71073","MoKα","","0.0363","0.0312","","","0.0836","0.0869","","","","","","1.042","","","","has coordinates,has Fobs","213103","2020-10-21","18:00:00",""
"2242806","5.9255","0.0006","7.5867","0.0008","14.1427","0.0015","89.774","0.002","82.671","0.002","87.712","0.002","630.09","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(3-Bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C30 H20 Br2 F2 O2 -","2","1","XU5955","Atioğlu, Zeliha; Bindya, S.; Akkurt, Mehmet; Chidan Kumar, C. S.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-(3-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","2","146","149","10.1107/S2056989018018418","","","0.71073","MoKα","","0.0455","0.0384","","","0.1004","0.1046","","","","","","1.097","","","","has coordinates,has Fobs","213104","2020-10-21","18:00:00",""
"2242807","3.9017","0.0006","22.038","0.003","15.127","0.002","90","","96.998","0.003","90","","1291","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2-chlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H7 Cl3 O S -","- C13 H7 Cl3 O S -","- C52 H28 Cl12 O4 S4 -","4","1","QM2131","Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Veeraiah, M. K.; Quah, Ching Kheng; Chidan Kumar, C. S.; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(2-chlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","2","124","128","10.1107/S2056989018018066","","","0.71073","MoKα","","0.057","0.0382","","","0.0896","0.099","","","","","","1.082","","","","has coordinates,has Fobs","213105","2020-10-21","18:00:00",""
"2242808","11.8222","0.0007","14.7535","0.0009","19.5055","0.0012","68.396","0.003","78.555","0.003","87.302","0.003","3099","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","7'-(4-Chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione","","- C34 H28 Cl N3 O3 S -","- C34 H28 Cl N3 O3 S -","- C136 H112 Cl4 N12 O12 S4 -","4","2","SU5469","Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 7'-(4-chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione and an unknown solvent","Acta Crystallographica Section E","2019","75","2","189","193","10.1107/S2056989019000112","","","0.71073","MoKα","","0.1128","0.0579","","","0.1405","0.1711","","","","","","1.011","","","","has coordinates,has Fobs","213106","2020-10-21","18:00:00",""
"2242809","14.7269","0.0005","6.7024","0.0003","11.7607","0.0004","90","","90","","90","","1160.85","0.08","193","2","193","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","1'-Aminocobaltocenium-1-carboxylic acid chloride monohydrate","","- C11 H13 Cl Co N O3 -","- C11 H13 Cl Co N O3 -","- C44 H52 Cl4 Co4 N4 O12 -","4","1","WM5478","Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","Acta Crystallographica Section E","2019","75","2","208","213","10.1107/S2056989019000562","","","0.71073","MoKα","","0.0206","0.0195","","","0.0455","0.0459","","","","","","1.077","","","","has coordinates,has Fobs","213107","2020-10-21","18:00:00",""
"2242810","7.9891","0.0004","9.431","0.0005","15.5425","0.0008","74.415","0.003","78.183","0.002","73.798","0.002","1072.48","0.1","191","2","191","2","","","","","","","","7","P -1","-P 1","2","","1'-[2-(1-Amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","","- C19 H21 Co F6 N3 O3 P -","- C19 H21 Co F6 N3 O3 P -","- C38 H42 Co2 F12 N6 O6 P2 -","2","1","WM5478","Jochriem, Markus; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Crystal structures of 1'-aminocobaltocenium-1-carboxylic acid chloride monohydrate and of its azo dye 1'-[2-(1-amino-2,6-dimethylphenyl)diazen-1-yl]cobaltocenium-1-carboxylic acid hexafluoridophosphate monohydrate","Acta Crystallographica Section E","2019","75","2","208","213","10.1107/S2056989019000562","","","0.71073","MoKα","","0.0484","0.0351","","","0.0791","0.0855","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","213107","2020-10-21","18:00:00",""
"2242811","9.5959","0.0003","9.6218","0.0003","5.6735","0.0002","90","","90","","90","","523.83","0.03","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Lithium zirconium octafluoride","Tetralithium octafluoridozirconate(IV)","","- F8 Li4 Zr -","- F8 Li4 Zr -","- F32 Li16 Zr4 -","4","0.5","WM5477","Chemey, Alexander T.; Albrecht-Schmitt, Thomas E.","Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li~4~ZrF~8~, from single-crystal X-ray data","Acta Crystallographica Section E","2019","75","2","139","141","10.1107/S2056989018018194","","","0.71073","MoKα","","0.0392","0.0289","","","0.0688","0.0733","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","213108","2020-10-21","18:00:00",""
"2242812","10.5375","0.0002","10.8479","0.0002","16.8936","0.0003","82.261","0.002","88.543","0.001","84.93","0.002","1905.85","0.06","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","(1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine]","","- C21 H17 Cl2 N3 -","- C21 H17 Cl2 N3 -","- C84 H68 Cl8 N12 -","4","2","","Rajesh, Rajagopal; Sella, E. S.; Blacque, Olivier; Rajesh, Kunjanpillai","Crystal structure of a new 2,6-bis(imino)pyridine derivative: (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(4-chlorophenyl)ethan-1-imine]","Acta Crystallographica Section E","2019","75","2","115","118","10.1107/S2056989018017966","","x-ray","0.71073","MoKα","","0.0457","0.0387","","","0.1068","0.1109","","","","","","1.059","","","","has coordinates,has Fobs","213109","2020-10-21","18:00:00",""
"2242813","11.8027","0.0007","13.2843","0.0008","19.0835","0.001","90","","90","","90","","2992.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrimin C monohydrate","5,6-Bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-4-carboxylic acid monohydrate","","- C34 H38 O9 -","- C34 H38 O9 -","- C136 H152 O36 -","4","1","","Kumar, Rajesh; Ogbeide, K. Osahon; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure, Hirshfeld surface analysis and electrostatic potential study of naturally occurring cassane-type diterpenoid Pulcherrimin C monohydrate at 100K","Acta Crystallographica Section E","2019","75","2","119","123","10.1107/S2056989018017498","","","1.54178","CuKα","","0.0469","0.0398","","","0.0947","0.0983","","","","","","1.03","","","","has coordinates,has Fobs","213110","2020-10-21","18:00:00",""
"2242814","24.742","0.003","5.5002","0.0006","19.387","0.002","90","","98.292","0.006","90","","2610.7","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(2-Hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate","","- C15 H16 N O4.5 -","- C15 H16 N O4.5 -","- C120 H128 N8 O36 -","8","1","LD2147","Kamaal, Saima; Faizi, Md. Serajul Haque; Ali, Arif; Ahmad, Musheer; Gupta, Mayank; Dege, Necmi; Iskenderov, Turganbay","Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate","Acta Crystallographica Section E","2019","75","2","159","162","10.1107/S2056989018018455","","","0.71073","MoKα","","0.0521","0.0417","","","0.0989","0.1073","","","","","","1.054","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242815","11.546","0.003","12.564","0.003","13.172","0.003","101.991","0.003","97.535","0.003","99.847","0.003","1813.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-{2-[(<i>E</i>)-(4-Methylbenzylidene)amino]phenyl}-2-(5-methyl-1-<i>H</i>-pyrazol-3-yl)acetamide hemihydrate","","- C20 H21 N4 O1.5 -","- C20 H21 N4 O1.5 -","- C80 H84 N16 O6 -","4","2","XU5954","Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of <i>N</i>-{2-[(<i>E</i>)-(4-methylbenzylidene)amino]phenyl}-2-(5-methyl-1-<i>H</i>-pyrazol-3-yl)acetamide hemihydrate","Acta Crystallographica Section E","2019","75","2","154","158","10.1107/S2056989018017747","","","0.71073","MoKα","","0.0749","0.0463","","","0.1105","0.1218","","","","","","1.035","","","","has coordinates,has Fobs","213113","2020-10-21","18:00:00",""
"2242816","10.214","0.0006","10.5133","0.0008","15.3297","0.001","106.652","0.003","99.111","0.003","97.416","0.004","1530.51","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[(2<i>E</i>)-2-Methyl-3-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylhydrazinecarboxamide","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","2","JJ2206","Saritha, S. R.; Anitha, L.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.","Crystal structure of 2-[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylhydrazinecarboxamide","Acta Crystallographica Section E","2019","75","2","163","166","10.1107/S2056989018018376","","","0.71073","MoKα","","0.1026","0.051","","","0.137","0.1753","","","","","","0.948","","","","has coordinates,has Fobs","213114","2020-10-21","18:00:00",""
"2242817","9.6417","0.0017","13.604","0.002","12.174","0.002","90","","105.155","0.002","90","","1541.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Iodobenzoyl)-4-(pyrimidin-2-yl)piperazine","","- C15 H15 I N4 O -","- C15 H15 I N4 O -","- C60 H60 I4 N16 O4 -","4","1","WM5479","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Furuya, Tetsundo; Akitsu, Takashiro; Glidewell, Christopher","The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π‒π stacking interactions and I···N halogen bonds","Acta Crystallographica Section E","2019","75","2","129","133","10.1107/S205698901801811X","","","0.71073","MoKα","","0.0294","0.0276","","","0.0737","0.0751","","","","","","1.049","","","","has coordinates,has Fobs","213115","2020-10-21","18:00:00",""
"2242818","12.7792","0.0014","5.2144","0.0004","15.6368","0.0018","90","","111.808","0.004","90","","967.4","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[di-μ~3~-glycine-lithium] perchlorate]","","- C4 H10 Cl Li N2 O8 -","- C4 H10 Cl Li N2 O8 -","- C16 H40 Cl4 Li4 N8 O32 -","4","1","EX2017","Revathi, Palanisamy; Mohan, Janani S.; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah","Crystal structure and Hirshfeld surface analysis of poly[[di-μ~3~-glycine-lithium] perchlorate]","Acta Crystallographica Section E","2019","75","2","134","138","10.1107/S2056989018018145","","","0.71073","MoKα","","0.0371","0.033","","","0.0881","0.0916","","","","","","1.067","","","","has coordinates,has Fobs","213116","2020-10-21","18:00:00",""
"2242819","9.6002","0.001","11.5584","0.0013","12.5823","0.0012","90","","90","","90","","1396.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-4-methylbenzohydrazide","(<i>E</i>)-4-Methyl-<i>N</i>'-(2-bromobenzylidene)benzohydrazide","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","LH5887","Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai","Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-<i>N</i>'-(2-bromobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2019","75","2","109","114","10.1107/S2056989018017978","","","0.71073","MoKα","","0.0763","0.0365","","","0.0723","0.0974","","","","","","1.095","","","","has coordinates","213117","2020-10-21","18:00:00",""
"2242820","10.6777","0.0004","11.6095","0.0004","12.6037","0.0008","98.383","0.003","105.378","0.003","115.522","0.002","1297.32","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6'-(4-Chlorophenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","","- C32 H25 Cl N2 O4 -","- C32 H25 Cl N2 O4 -","- C64 H50 Cl2 N4 O8 -","2","1","SU5472","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.","The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","Acta Crystallographica Section E","2019","75","2","218","222","10.1107/S2056989019000422","","","0.71073","MoKα","","0.0737","0.0493","","","0.1294","0.1503","","","","","","1.019","","","","has coordinates,has disorder","213118","2020-10-21","18:00:00",""
"2242821","19.8942","0.0002","13.6097","0.0007","20.7822","0.0001","90","","107.268","0.003","90","","5373.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6'-(4-Methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","","- C33 H28 N2 O5 -","- C33 H28 N2 O5 -","- C264 H224 N16 O40 -","8","2","SU5472","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.","The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","Acta Crystallographica Section E","2019","75","2","218","222","10.1107/S2056989019000422","","","0.71073","MoKα","","0.0927","0.0479","","","0.1081","0.1298","","","","","","1.022","","","","has coordinates,has disorder","213118","2020-10-21","18:00:00",""
"2242822","5.9864","0.0002","8.4104","0.0003","10.2903","0.0003","74.798","0.003","76.756","0.003","72.878","0.002","471.28","0.03","300","","300","","","","","","","","","5","P -1","-P 1","2","Sodium rubidium hydrogen citrate","Poly[(μ-hydrogen citrato)rubidiumsodium]","","- C6 H6 Na O7 Rb -","- C6 H6 Na O7 Rb -","- C12 H12 Na2 O14 Rb2 -","2","1","VN2138","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","powder diffraction","x-ray","1.54059","Kα~1~","","","","","","","","","","1.74","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242823","5.9859","","8.4102","","10.2904","","74.7995","","76.7573","","72.8749","","471.234","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Na O7 Rb -","- C6 H6 Na O7 Rb -","- C12 H12 Na2 O14 Rb2 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","","","","","","","","","","","","","","","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242824","10.8913","0.0005","5.5168","0.0002","17.7908","0.0008","90","","97.014","0.004","90","","1060.96","0.08","300","","300","","","","","","","","","5","I 1 2 1","I 2y","5","Sodium caesium hydrogen citrate","Poly[(μ-hydrogen citrato)caesiumsodium]","","- C6 H6 Cs Na O7 -","- C6 H6 Cs Na O7 -","- C24 H24 Cs4 Na4 O28 -","4","1","VN2138","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","","","2.36","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242825","10.8918","","5.5166","","17.7909","","90","","97.016","","90","","1060.97","","","","","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C6 H6 Cs Na O7 -","- C6 H6 Cs Na O7 -","- C24 H24 Cs4 Na4 O28 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons","Acta Crystallographica Section E","2019","75","2","223","227","10.1107/S205698901900063X","","","","","","","","","","","","","","","","","","","","","has coordinates","213223","2020-10-21","18:00:00",""
"2242826","6.10537","0.0001","7.58687","0.00013","26.8196","0.0005","90","","90","","90","","1242.3","0.04","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzyl naphthalen-2-yl ether","2-(Benzyloxy)naphthalene","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","IS5508","Kikuchi, Takuya; Gontani, Saori; Miyanaga, Kyohei; Kurata, Takaaki; Akatani, Yoshiki; Matsumoto, Shinya","Crystal structure of benzyl 2-naphthyl ether, a sensitiser for thermal paper","Acta Crystallographica Section E","2019","75","2","242","245","10.1107/S2056989019000690","","","1.54184","CuKα","","0.0448","0.0424","","","0.1041","0.1069","","","","","","1.013","","","","has coordinates,has Fobs","213224","2020-10-21","18:00:00",""
"2242827","5.5373","0.0001","24.0197","0.0004","11.7815","0.0003","90","","103.488","0.002","90","","1523.77","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4,4-Dimethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2<i>H</i>-pyran-2,4-dione","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","LH5890","Samba, Mohamed; Minnih, Mohamed Said; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.; Sebbar, Nada Kheira; Essassi, El Mokhtar","Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2<i>H</i>-pyran-2,4-dione","Acta Crystallographica Section E","2019","75","2","228","232","10.1107/S2056989019000689","","x-ray","1.54184","CuKα","","0.0465","0.0397","","","0.1063","0.1122","","","","","","1.045","","","","has coordinates,has Fobs","213225","2020-10-21","18:00:00",""
"2242828","15.8644","0.0005","7.2242","0.0002","12.7595","0.0004","90","","97.038","0.002","90","","1451.32","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2,2-Dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","","- C14 H8 Cl2 F N3 O2 -","- C14 H8 Cl2 F N3 O2 -","- C56 H32 Cl8 F4 N12 O8 -","4","1","RZ5248","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Bagirova, Khanim N.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","Acta Crystallographica Section E","2019","75","2","237","241","10.1107/S2056989019000707","","","0.71073","MoKα","","0.0401","0.0309","","","0.0826","0.0885","","","","","","1.045","","","","has coordinates,has Fobs","213226","2020-10-21","18:00:00",""
"2242829","11.3058","0.0009","10.0905","0.0008","15.1957","0.0012","90","","101.072","0.001","90","","1701.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6a,6b,7,11a-Tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C80 H64 N8 O12 S4 -","4","1","SU5467","Pangajavalli, S.; Ranjithkumar, R.; Srinivasan, N.; Ramaswamy, S.; Selvanayagam, S.","Crystal structures of 6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione","Acta Crystallographica Section E","2019","75","2","246","250","10.1107/S2056989019000045","","","0.71073","MoKα","","0.0579","0.052","","","0.1359","0.141","","","","","","1.023","","","","has coordinates,has Fobs","213287","2020-10-21","18:00:00",""
"2242830","8.3648","0.0005","9.7648","0.0006","11.9677","0.0007","112.622","0.001","99.388","0.001","91.885","0.001","885.31","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5'-Methyl-6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione","","- C21 H18 N2 O3 S -","- C21 H18 N2 O3 S -","- C42 H36 N4 O6 S2 -","2","1","SU5467","Pangajavalli, S.; Ranjithkumar, R.; Srinivasan, N.; Ramaswamy, S.; Selvanayagam, S.","Crystal structures of 6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetrahydro-6<i>H</i>,9<i>H</i>-spiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,3'-indoline]-2',6-dione","Acta Crystallographica Section E","2019","75","2","246","250","10.1107/S2056989019000045","","","0.71073","MoKα","","0.0518","0.0481","","","0.1364","0.1403","","","","","","1.046","","","","has coordinates,has Fobs","213287","2020-10-21","18:00:00",""
"2242831","8.921","0.0002","11.6792","0.0002","24.702","0.0004","90","","90.051","0.002","90","","2573.7","0.08","130","2","130.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Acetylthiophene -1-phthalazinylhydrazone","1-(1,2-Dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C112 H96 N32 S8 -","8","2","LH5889","Majoumo-Mbe, Felicite; Ngwang Nfor, Emmanuel; Kenfack Tsobnang, Patrice; Nguepmeni Eloundou, Valoise Brenda; Ngwain Yong, Joseph; Iris Efeti, Ikome","Synthesis, molecular and crystal structure of 1-(1,2-dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine","Acta Crystallographica Section E","2019","75","2","251","254","10.1107/S2056989019000732","","","0.71073","MoKα","","0.0776","0.0496","","","0.0937","0.1048","","","","","","1.018","","","","has coordinates","213288","2020-10-21","18:00:00",""
"2242832","14.188","0.0001","23.445","0.0003","18.371","0.0002","90","","104.541","0.002","90","","5915.14","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6<i>H</i>,7<i>H</i>-spiro[chromeno[3,4-<i>a</i>]indolizine-12,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C35 H27 Cl N4 O3 -","- C35 H27 Cl N4 O3 -","- C280 H216 Cl8 N32 O24 -","8","2","SU5475","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.","Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6<i>H</i>,7<i>H</i>-spiro[chromeno[3,4-<i>a</i>]indolizine-12,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2019","75","2","255","259","10.1107/S2056989019000975","","","0.71073","MoKα","","0.1007","0.0477","","","0.1127","0.1281","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","213350","2020-10-21","18:00:00",""
"2242833","5.7307","0.0006","19.733","0.002","22.436","0.003","90","","92.4","0.004","90","","2534.9","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1<i>H</i>-benzimidazole acetone disolvate","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C112 H128 N8 O16 -","4","1","ZL2750","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.","Intermolecular interactions in a phenol-substituted benzimidazole","Acta Crystallographica Section E","2019","75","2","272","276","10.1107/S2056989019001270","","","0.71073","MoKα","","0.0858","0.0575","","","0.1695","0.1945","","","","","","1.067","","","","has coordinates,has Fobs","213388","2020-10-21","18:00:00",""
"2242834","7.7627","0.0003","11.7335","0.0005","12.7969","0.0005","90","","98.527","0.004","90","","1152.7","0.08","116","2","116","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Acetylferrocen-1-yl)boronic acid","","- C12 H13 B Fe O3 -","- C12 H13 B Fe O3 -","- C48 H52 B4 Fe4 O12 -","4","1","WM5476","Preuss, Andrea; Korb, Marcus; Lang, Heinrich","Crystal structure of (2-acetylferrocen-1-yl)boronic acid","Acta Crystallographica Section E","2019","75","2","268","271","10.1107/S2056989019001178","","","0.71073","MoKα","","0.0361","0.03","","","0.0671","0.0705","","","","","","1.079","","","","has coordinates,has Fobs","213389","2020-10-21","18:00:00",""
"2242835","17.5353","0.0008","22.4798","0.0009","21.2031","0.0009","90","","109.455","0.001","90","","7880.8","0.6","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tiiii[C~3~H~7~,CH~3~,C~6~H~5~] mephedrone hydrochloride methanol monosolvate","Methyl[1-(4-methylphenyl)-1-oxopropan-2-yl]azanium chloride 2,8,14,20-tetrapropyl-5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-<i>O</i>,<i>O</i>')resorcin[4]arene methanol monosolvate","","- C80 H88 Cl N O14 P4 -","- C80 H88 Cl N O14 P4 -","- C320 H352 Cl4 N4 O56 P16 -","4","1","EX2018","Biavardi, Elisa; Massera, Chiara","Crystal structure of a host‒guest complex between mephedrone hydrochloride and a tetraphosphonate cavitand","Acta Crystallographica Section E","2019","75","2","277","283","10.1107/S2056989019001464","","","0.71069","MoKα","","0.1181","0.0767","","","0.2363","0.2752","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","213390","2020-10-21","18:00:00",""
"2242836","12.0588","0.0006","7.5515","0.0003","33.0408","0.0016","90","","94.021","0.004","90","","3001.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-benzoylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) methanol monosolvate","","- C29 H30 N4 Ni O5 S2 -","- C29 H30 N4 Ni O5 S2 -","- C116 H120 N16 Ni4 O20 S8 -","4","1","WM5485","Wellm, Carsten; Näther, Christian","Crystal structure of bis(4-benzoylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) methanol monosolvate","Acta Crystallographica Section E","2019","75","2","299","303","10.1107/S2056989019001555","","","0.71073","MoKα","","0.0522","0.0412","","","0.0995","0.1045","","","","","","1.095","","","","has coordinates,has Fobs","213442","2020-10-21","18:00:00",""
"2242837","11.2743","0.0012","11.2898","0.0012","12.6478","0.0013","111.923","0.001","114.325","0.001","95.903","0.001","1296.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trihexyphenidylium 3,5-dinitrobenzoate","1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 3,5-dinitrobenzoate","","- C27 H35 N3 O7 -","- C27 H35 N3 O7 -","- C54 H70 N6 O14 -","2","1","ZL2748","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O—H···O hydrogen bond with chlorprothixene","Acta Crystallographica Section E","2019","75","2","292","298","10.1107/S2056989019001385","","","0.71073","MoKα","","0.0459","0.0398","","","0.1051","0.1092","","","","","","1.069","","","","has coordinates,has Fobs","213443","2020-10-21","18:00:00",""
"2242838","11.3454","0.0008","24.3857","0.0016","11.6098","0.0008","90","","93.691","0.001","90","","3205.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[3-(2-Chloro-9<i>H</i>-thioxanthen-9-yl)propyl]dimethylammonium hydrogen bis(3,5-dinitrobenzoate)","(<i>Z</i>)-3-(2-Chloro-9<i>H</i>-thioxanthen-9-yl)-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium hydrogen bis(3,5-dinitrobenzoate)","","- C32 H26 Cl N5 O12 S -","- C32 H26 Cl N5 O12 S -","- C128 H104 Cl4 N20 O48 S4 -","4","1","ZL2748","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro; Glidewell, Christopher","Co-crystallization of 3,5-dinitrobenzoic acid with two antipsychotic agents: a simple 1:1 salt with trihexyphenidyl and a 1:2 acid salt containing a very short O—H···O hydrogen bond with chlorprothixene","Acta Crystallographica Section E","2019","75","2","292","298","10.1107/S2056989019001385","","","0.71073","MoKα","","0.0406","0.0359","","","0.0944","0.0976","","","","","","1.038","","","","has coordinates,has Fobs","213443","2020-10-21","18:00:00",""
"2242839","13.723","0.0009","6.5757","0.0004","15.3224","0.001","90","","111.841","0.001","90","","1283.42","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-Amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate","2-Amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate","","- C12 H7 Br F4 N2 O2 -","- C12 H7 Br F4 N2 O2 -","- C48 H28 Br4 F16 N8 O8 -","4","1","PK2612","Bosch, Eric","Crystal structure of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate","Acta Crystallographica Section E","2019","75","2","284","287","10.1107/S2056989019001294","","","0.71073","MoKα","","0.035","0.0257","","","0.0559","0.059","","","","","","1.039","","","","has coordinates,has Fobs","213444","2020-10-21","18:00:00",""
"2242840","6.432","0.0002","9.3645","0.0003","13.607","0.0005","90","","101.868","0.002","90","","802.06","0.05","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane","","- C15 H16 F6 N O P -","- C15 H16 F6 N O P -","- C30 H32 F12 N2 O2 P2 -","2","1","LH5891","Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.","Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane","Acta Crystallographica Section E","2019","75","2","288","291","10.1107/S2056989019001403","","","0.71073","MoKα","","0.0366","0.0321","","","0.0809","0.0844","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","213445","2020-10-21","18:00:00",""
"2242841","19.4596","0.0014","10.7416","0.0008","11.9654","0.0009","90","","125.864","0.002","90","","2026.9","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}-1-phenyl-1λ^5^-pyridin-\ 1-ylium hexafluoro-λ^6^-phosphane","","- C21 H21 F6 N2 P -","- C21 H21 F6 N2 P -","- C84 H84 F24 N8 P4 -","4","1","LH5891","Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.","Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane","Acta Crystallographica Section E","2019","75","2","288","291","10.1107/S2056989019001403","","","0.71073","MoKα","","0.0913","0.0643","","","0.1773","0.2034","","","","","","1.069","","","","has coordinates,has Fobs","213445","2020-10-21","18:00:00",""
"2242842","15.2043","0.0003","17.4555","0.0005","18.1232","0.0004","83.797","0.002","79.818","0.002","89.191","0.002","4706.3","0.2","179","2","179","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Nitrophenyl)-1,1-bis{2-[3-(4-nitrophenyl)ureido]ethyl}urea tetrabutylammonium dihydrogen phosphate","","- C41 H63 N10 O13 P -","- C41 H63 N10 O13 P -","- C164 H252 N40 O52 P4 -","4","2","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Crystal structure of a host‒guest complex of the tris-urea receptor, 3-(4-nitrophenyl)-1,1-bis{2-[3-(4-nitrophenyl)ureido]ethyl}urea, that encapsulates hydrogen-bonded chains of dihydrogen phosphate anions with separate tetra-<i>n</i>-butylammonium counter-ions","Acta Crystallographica Section E","2019","75","3","319","323","10.1107/S2056989019001336","","","1.54184","CuKα","","0.0745","0.0652","","","0.1537","0.1603","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","213576","2020-10-21","18:00:00",""
"2242843","35.8175","0.0017","10.5633","0.0005","24.0946","0.0011","90","","131.781","0.002","90","","6797.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium","","- C32 H41 Cl2 N3 Ru -","- C32 H41 Cl2 N3 Ru -","- C256 H328 Cl16 N24 Ru8 -","8","1","HB7792","Polyanskii, Kirill B.; Alekseeva, Kseniia A.; Kumandin, Pavel A.; Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.","Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate","Acta Crystallographica Section E","2019","75","3","342","345","10.1107/S2056989019001725","","","0.71073","MoKα","","0.0605","0.0382","","","0.1017","0.1097","","","","","","1.039","","","","has coordinates,has Fobs","213577","2020-10-21","18:00:00",""
"2242844","15.36","0.005","18.879","0.006","10.992","0.003","90","","102.524","0.005","90","","3111.6","1.7","218","2","218.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido(3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one-κ<i>O</i>)triphenyltin(IV)","","- C33 H34 Cl N O S Sn -","- C33 H34 Cl N O S Sn -","- C132 H136 Cl4 N4 O4 S4 Sn4 -","4","1","HB7780","Yennawar, Hemant P.; Tierney, John; Cannon, Kevin C.","Crystal structure of a 1:1 adduct of triphenyltin chloride with 3-cyclohexhyl-2-phenyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2019","75","3","338","341","10.1107/S2056989019001592","","","0.71073","MoKα","","0.1289","0.0833","","","0.196","0.2205","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","213578","2020-10-21","18:00:00",""
"2242845","7.0709","0.0004","19.8158","0.0013","13.1957","0.0007","90","","99.089","0.004","90","","1825.71","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')nickel(II), [Ni(C~18~H~12~F~6~N~2~O~4~)]","","- C18 H12 F6 N2 Ni O4 -","- C18 H12 F6 N2 Ni O4 -","- C72 H48 F24 N8 Ni4 O16 -","4","1","","Demir Kanmazalp, Sibel; Meral, Seher; Dege, Necmi; Alaman Agar, Aysen; Fritsky, Igor O.","Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shiff base ligand 6,6'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]","Acta Crystallographica Section E","2019","75","3","328","331","10.1107/S2056989019001919","","","0.71073","MoKα","","0.0964","0.0424","","","0.0634","0.0731","","","","","","0.815","","","","has coordinates,has Fobs","213579","2020-10-21","18:00:00",""
"2242846","8.481","0.001","8.481","0.001","27.05","0.005","90","","90","","120","","1685","0.4","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","caesium gallium bis(hydrogen arsenate)","Caesium gallium bis[hydrogen arsenate(V)]","","- As2 Cs Ga H2 O8 -","- As2.0002 Cs Ga H2 O8.0006 -","- As18.0018 Cs9 Ga9 H18 O72.0054 -","9","0.5","VN2142","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(HAsO~4~)~2~, the first Ga representative of the RbAl(HAsO~4~)~2~ structure type","Acta Crystallographica Section E","2019","75","3","346","349","10.1107/S2056989019002081","","","0.71073","MoKα","","0.0225","0.0194","","","0.0409","0.0418","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","213580","2020-10-21","18:00:00",""
"2242847","11.1952","0.0018","14.055","0.002","9.305","0.0012","90","","96.446","0.006","90","","1454.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Bromo-<i>N</i>'-(2,3-dichlorobenzylidene)benzohydrazide","","- C14 H9 Br Cl2 N2 O -","- C14 H9 Br Cl2 N2 O -","- C56 H36 Br4 Cl8 N8 O4 -","4","1","SU5466","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of (<i>E</i>)-4-bromo-<i>N</i>'-(2,3-dichlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2019","75","3","324","327","10.1107/S2056989019001816","","","0.71073","MoKα","","0.1284","0.0511","","","0.1333","0.1731","","","","","","0.936","","","","has coordinates,has Fobs","213581","2020-10-21","18:00:00",""
"2242848","8.906","0.004","29.412","0.011","19.505","0.009","90","","107.03","0.019","90","","4885","4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) hemihydrate","","- C32 H74 Cl4 N8 Ni2 O17 -","- C32 H74 Cl4 N8 Ni2 O17 -","- C128 H296 Cl16 N32 Ni8 O68 -","4","1","PK2613","Corfield, Peter W. R.; Goedken, Virgil L.","Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","Acta Crystallographica Section E","2019","75","3","332","337","10.1107/S2056989019002056","","","1.5418","CuKα","","0.0737","0.04341","","","0.0992","0.1092","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","213582","2020-10-21","18:00:00",""
"2242849","60.3649","0.0018","19.8364","0.0009","7.9773","0.0003","90","","90","","90","","9552.2","0.6","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","","- C16 H42 Br2 N4 Ni O3 -","- C16 H36 Br2 N4 Ni O3 -","- C256 H576 Br32 N64 Ni16 O48 -","16","1","","Corfield, Peter W. R.; Goedken, Virgil L.","Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","Acta Crystallographica Section E","2019","75","3","332","337","10.1107/S2056989019002056","","","0.7107","MoKα","","0.0404","0.0346","","","0.0819","0.0849","","","","","","1.041","","","","has coordinates,has Fobs","213582","2020-10-21","18:00:00",""
"2242850","9.051","0.005","11.526","0.005","10.893","0.006","90","","90.345","0.016","90","","1136.4","1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methoxy-4-[2-(thiazol-2-yl)diazen-1-yl]aniline monohydrate","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","DX2014","Phiromphu, Nutchanikan; Chainok, Kittipong; Songsasen, Apisit; Duangthongyou, Tanwawan","Crystal structure of 3-methoxy-4-[2-(thiazol-2-yl)diazen-1-yl]aniline monohydrate","Acta Crystallographica Section E","2019","75","3","354","357","10.1107/S205698901900207X","","x-ray","0.71073","MoKα","","0.154","0.0545","","","0.0999","0.1306","","","","","","0.929","","","","has coordinates,has Fobs","213619","2020-10-21","18:00:00",""
"2242851","14.7251","0.0009","14.4444","0.0009","6.1698","0.0004","90","","98.241","0.005","90","","1298.74","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-6-[(5-Chloro-2-methoxyanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C56 H48 Cl4 N4 O12 -","4","1","YK2119","Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Taşdemir, Volkan; Dege, Necmi; Aĝar, Erbil; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of a Schiff base: (<i>Z</i>)-6-[(5-chloro-2-methoxyanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2019","75","3","362","366","10.1107/S2056989019002123","","","0.71073","MoKα","","0.1536","0.0574","","","0.0801","0.1003","","","","","","0.901","","","","has coordinates,has Fobs","213620","2020-10-21","18:00:00",""
"2242852","15.82801","0.00019","14.36708","0.00015","17.421","0.0002","90","","112.078","0.0013","90","","3671.09","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris{4-[1-(2-methoxyethyl)imidazol-2-yl]-3-azabut-3-enyl}amine}iron(II) bis(hexafluoridophosphate)","","- C27 H41 F12 Fe N10 O3 P2 -","- C27 H41 F12 Fe N10 O3 P2 -","- C108 H164 F48 Fe4 N40 O12 P8 -","4","1","CQ2029","Znovjyak, Kateryna; Fritsky, Igor O.; Golenya, Iryna A.; Sliva, Tatiana Y.; Haukka, Matti","Crystal structure and magnetic properties of (tris{4-[1-(2-methoxyethyl)imidazol-2-yl]-3-azabut-3-enyl}amine)iron(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2019","75","3","358","361","10.1107/S2056989019001531","","","1.54184","CuKα","","0.0547","0.0478","","","0.1204","0.1258","","","","","","1.023","","","","has coordinates,has Fobs","213621","2020-10-21","18:00:00",""
"2242853","11.8407","0.0002","12.6001","0.0004","18.8671","0.0005","90.16","0.002","102.361","0.002","117.933","0.003","2411.88","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Potassium [4-amino-5-(benzo[<i>d</i>]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl](phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate","","- C21 H22 K N6 O3.5 S3 -","- C21 H22 K N6 O3.5 S3 -","- C84 H88 K4 N24 O14 S12 -","4","2","SU5477","Azzam, Rasha A.; Elgemeie, Galal H.; Osman, Rokia R.; Jones, Peter G.","Crystal structure of potassium [4-amino-5-(benzo[<i>d</i>]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl](phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate","Acta Crystallographica Section E","2019","75","3","367","371","10.1107/S2056989019002275","","","0.71073","MoKα","","0.0394","0.0304","","","0.0716","0.0766","","","","","","1.05","","","","has coordinates,has Fobs","213743","2020-10-21","18:00:00",""
"2242854","7.4069","0.0009","8.1959","0.001","24.133","0.003","90","","90.295","0.002","90","","1465","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","HB7802","Zaoui, Younes; Ramli, Youssef; Taoufik, Jamal; Mague, Joel T.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Ansar, M'hammed","Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","3","392","396","10.1107/S205698901900241X","","","0.71073","MoKα","","0.0468","0.0407","","","0.1165","0.1201","","","","","","1.089","","","","has coordinates,has Fobs","213807","2020-10-21","18:00:00",""
"2242855","18.48641","0.00017","15.8431","0.00014","39.4611","0.0004","90","","93.0666","0.0008","90","","11540.9","0.19","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6,8-Tetrakis(3,5-di-<i>tert</i>-butylphenoxy)pyrimido[5,4-<i>d</i>]pyrimidine","","- C62 H84 N4 O4 -","- C62 H84 N4 O4 -","- C496 H672 N32 O32 -","8","2","HB7803","Gall, James H.; MacNicol, David D.; MacSween, Ross; Frampton, Christopher S.","Synthesis and crystal structure of 2,4,6,8-tetrakis(3,5-di-<i>tert</i>-butylphenoxy)pyrimido[5,4-<i>d</i>]pyrimidine: expansion of the Piedfort concept","Acta Crystallographica Section E","2019","75","3","383","387","10.1107/S2056989019002470","","","1.54184","CuKα","","0.0587","0.0479","","","0.1218","0.1297","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","213808","2020-10-21","18:00:00",""
"2242856","4.0602","0.0002","13.8983","0.0005","14.262","0.0005","117.809","0.002","93.155","0.002","94.416","0.002","705.96","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2<i>Z</i>)-2-(4-Fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C18 H12 F N O S -","- C18 H12 F N O S -","- C36 H24 F2 N2 O2 S2 -","2","1","LH5893","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Ouzidan, Younes; Moussaif, Ahmed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT study of (2<i>Z</i>)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2019","75","3","372","377","10.1107/S2056989019002354","","","1.54178","CuKα","","0.0426","0.036","","","0.0876","0.0922","","","","","","1.044","","","","has coordinates,has Fobs","213809","2020-10-21","18:00:00",""
"2242857","9.1197","0.0002","11.1231","0.0002","11.9434","0.0002","107.049","0.001","107.729","0.001","106.622","0.001","1005.21","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquatris(μ-1,4-phenylenediacetato)dilanthanum(III)] octahydrate]","","- C30 H48 La2 O24 -","- C30 H48 La2 O24 -","- C30 H48 La2 O24 -","1","0.5","VN2143","Camara, Magatte; Badiane, Insa; Diallo, Mamoudou; Daiguebonne, Carole; Guillou, Olivier","Synthesis and crystal structure of a new coordination polymer based on lanthanum and 1,4-phenylenediacetate ligands","Acta Crystallographica Section E","2019","75","3","378","382","10.1107/S2056989019002378","","x-ray","0.71073","MoKα","","0.0447","0.0302","","","0.0648","0.0675","","","","","","1.028","","","","has coordinates,has Fobs","213810","2020-10-21","18:00:00",""
"2242858","11.7576","0.0007","11.9561","0.0008","14.1979","0.0009","91.71","0.001","105.728","0.001","111.98","0.001","1762.13","0.19","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","5,11,17,23-Tetramethyl-4,24:6,10:12,16:18,22-tetrakis(methylenedioxy)resorcin[4]arene acetic acid disolvate","","- C41 H40 O14 -","- C41 H40 O14 -","- C82 H80 O28 -","2","1","","Pedrini, Alessandro","Host‒guest supramolecular interactions between a resorcinarene-based cavitand bearing a ‒COOH moiety and acetic acid","Acta Crystallographica Section E","2019","75","3","397","401","10.1107/S2056989019002512","","","0.71069","MoKα","","0.1018","0.0668","","","0.1882","0.2207","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","213811","2020-10-21","18:00:00",""
"2242859","10.6853","0.0004","14.1009","0.0005","6.5481","0.0002","90","","103.842","0.001","90","","957.97","0.06","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tripotassium hexanickel iron hexaphosphate","","- Fe K3 Ni6 O24 P6 -","- Fe K2.996 Ni6 O24 P6 -","- Fe2 K5.992 Ni12 O48 P12 -","2","0.25","VN2144","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of a new tripotassium hexanickel iron hexaphosphate","Acta Crystallographica Section E","2019","75","3","402","404","10.1107/S2056989019002706","","","0.71073","MoKα","","0.0251","0.024","","","0.061","0.0617","","","","","","1.067","","","","has coordinates,has Fobs","213877","2020-10-21","18:00:00",""
"2242860","13.4004","0.0007","15.6272","0.0006","10.3817","0.0005","90","","95.739","0.004","90","","2163.14","0.18","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1,3-Di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-\ diazaphosphasiletidine","","- C20 H28 Cl N2 P Si -","- C20 H28 Cl N2 P Si -","- C80 H112 Cl4 N8 P4 Si4 -","4","1","PK2614","Mo, Dennis; Frank, Walter","Synthesis and crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-diazaphosphasiletidine","Acta Crystallographica Section E","2019","75","3","405","409","10.1107/S2056989019002627","","","0.71073","MoKα","","0.0799","0.0625","","","0.098","0.1038","","","","","","1.495","","","","has coordinates,has disorder,has Fobs","213916","2020-10-21","18:00:00",""
"2242861","6.4842","0.0003","6.6833","0.0003","9.8171","0.0004","87.637","0.004","80.606","0.004","83.109","0.004","416.59","0.03","302","","302","","","","","","","","","5","P -1","-P 1","2","dilithium potassium citrate","dilithium potassium citrate","","- C6 H5 K Li2 O7 -","- C6 H5 K Li2 O7 -","- C12 H10 K2 Li4 O14 -","2","1","HB7800","Cigler, Andrew J.; Kaduk, James A.","Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations","Acta Crystallographica Section E","2019","75","3","410","413","10.1107/S2056989019002809","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","","","1.65","","","","","","","has coordinates","213917","2020-10-21","18:00:00",""
"2242862","6.4842","","6.6833","","9.8171","","87.637","","80.606","","83.109","","416.593","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 K Li2 O7 -","- C6 H5 K Li2 O7 -","- C12 H10 K2 Li4 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations","Acta Crystallographica Section E","2019","75","3","410","413","10.1107/S2056989019002809","","","","","","","","","","","","","","","","","","","","","has coordinates","213917","2020-10-21","18:00:00",""
"2242863","21.3758","0.0006","9.2781","0.0003","13.9722","0.0005","90","","102.654","0.003","90","","2703.75","0.15","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Idelalisib t-BuOH monosolvate dihydrate","5-Fluoro-3-phenyl-2-[(1<i>S</i>)-1-(9<i>H</i>-purin-6-ylamino)propyl]quinazolin-4(3<i>H</i>)-one <i>tert</i>-butanol monosolvate dihydrate","","- C26 H32 F N7 O4 -","- C26 H32 F N7 O4 -","- C104 H128 F4 N28 O16 -","4","1","WM5487","Nerdinger, Sven; Stefinovic, Marijan; Richter, Frank; Olma, Jacek; Brysz, Michal; Walker, Tracy; Kahlenberg, Volker; Gelbrich, Thomas","Crystal structure of idelalisib <i>tert</i>-butanol monosolvate dihydrate","Acta Crystallographica Section E","2019","75","3","414","417","10.1107/S2056989019002743","","x-ray","0.71073","MoKα","","0.0429","0.0388","","","0.095","0.098","","","","","","1.067","","","","has coordinates,has Fobs","213918","2020-10-21","18:00:00",""
"2242864","7.7842","0.0005","8.8802","0.0005","22.2112","0.0015","94.791","0.005","97.62","0.005","90.043","0.005","1516.37","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","2","YK2118","Yaman, Mavişe; Cakmak, Şukriye; Dege, Necmi; Odabaşoğlu, Mustafa; Pavlenko, Vadim A.; Kutuk, Halil","Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate","Acta Crystallographica Section E","2019","75","4","423","427","10.1107/S2056989019000021","","","0.71073","MoKα","","0.128","0.0569","","","0.1349","0.159","","","","","","0.899","","","","has coordinates,has Fobs","214084","2020-10-21","18:00:00",""
"2242865","7.5106","0.0011","9.314","0.0013","17.343","0.003","90","","90","","90","","1213.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Oxo-1,3-thiazolidin-4-iminium chloride","","- C3 H5 Cl N2 O S -","- C3 H5 Cl N2 O S -","- C24 H40 Cl8 N16 O8 S8 -","8","1","JJ2207","Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim","Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride","Acta Crystallographica Section E","2019","75","4","443","446","10.1107/S2056989019003189","","","0.71073","MoKα","","0.0328","0.027","","","0.0725","0.0768","","","","","","1.053","","","","has coordinates,has Fobs","214085","2020-10-21","18:00:00",""
"2242866","11.5584","0.0015","12.9709","0.0017","20.761","0.003","90","","103.161","0.0016","90","","3030.8","0.7","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ-carbonyl-tricarbonyl[2,8,9-tris(pyridin-2-ylmethyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane]ironnickel","","- C29 H30 Fe N7 Ni O5 P -","- C29 H30 Fe N7 Ni O5 P -","- C116 H120 Fe4 N28 Ni4 O20 P4 -","4","1","SU5488","Sutthirat, Natwara; Ziller, Joseph W.; Yang, Jenny Y.; Thammavongsy, Zachary","Crystal structure of NiFe(CO)~5~[tris(pyridylmethyl)azaphosphatrane]: a synthetic mimic of the NiFe hydrogenase active site incorporating a pendant pyridine base","Acta Crystallographica Section E","2019","75","4","438","442","10.1107/S2056989019003256","","","0.71073","MoKα","","0.0285","0.0249","","","0.0626","0.0645","","","","","","1.039","","","","has coordinates,has Fobs","214087","2020-10-21","18:00:00",""
"2242867","10.8328","0.0002","13.2452","0.0002","18.1426","0.0003","111.276","0.001","90.182","0.001","90.125","0.001","2425.7","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(1<i>H</i>-Indol-3-yl)ethanaminium acetate hemihydrate","","- C12 H17 N2 O2.5 -","- C12 H17 N2 O2.5 -","- C96 H136 N16 O20 -","8","4","SU5480","Rajeswari, Balakrishnan; Santhi, Radhakrishnan; Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of 2-(1<i>H</i>-indol-3-yl)ethanaminium acetate hemihydrate","Acta Crystallographica Section E","2019","75","4","451","455","10.1107/S2056989019003347","","","1.54178","CuKα","","0.0934","0.0535","","","0.1212","0.142","","","","","","1.056","","","","has coordinates,has Fobs","214144","2020-10-21","18:00:00",""
"2242868","9.2839","0.0003","12.0281","0.0004","12.5999","0.0004","108.79","0.001","109.143","0.001","91.866","0.001","1243.25","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium)","","- C56 H66 Al2 O4 -","- C56 H66 Al2 O4 -","- C56 H66 Al2 O4 -","1","0.5","TX2010","Vinogradov, Alexander A.; Minyaev, Mikhail E.; Lyssenko, Konstantin A.; Nifant'ev, Ilya E.","Crystal structure of bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium)","Acta Crystallographica Section E","2019","75","4","456","459","10.1107/S2056989019003396","","","0.71073","MoKα","","0.0487","0.0382","","","0.0965","0.1047","","","","","","1.015","","","","has coordinates","214145","2020-10-21","18:00:00",""
"2242869","14.18206","0.0001","9.78934","0.00011","9.37624","0.0001","90","","90","","90","","1301.73","0.02","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Strontium perchlorate anhydrate","Strontium perchlorate anhydrate","","- Cl2 O8 Sr -","- Cl2 O8 Sr -","- Cl16 O64 Sr8 -","8","1","WM5484","Hyoung, Jooeun; Lee, Hyeon Woo; Kim, So Jin; Shin, Hong Rim; Hong, Seung-Tae","Crystal structure of strontium perchlorate anhydrate, Sr(ClO~4~)~2~, from laboratory powder X-ray diffraction data","Acta Crystallographica Section E","2019","75","4","447","450","10.1107/S2056989019003335","powder diffraction","x-ray","1.5405","Cukα~1~","","","","","","","","","","1.31","","","","","","","has coordinates","214146","2020-10-21","18:00:00",""
"2242870","9.8037","0.0009","8.9815","0.0009","18.8946","0.0017","90","","90.985","0.004","90","","1663.5","0.3","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","FY2134","Mahdi, Fatiha; Sid, Assia; Bouchene, Rafika; Mosset, Paul; Roisnel, Thierry","(<i>E</i>,<i>E</i>)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone: synthesis, characterization, Hirshfeld surface analysis and antibacterial activity","Acta Crystallographica Section E","2019","75","4","506","511","10.1107/S2056989019003827","","x-ray","0.71073","MoKα","","0.1172","0.07","","","0.1522","0.1713","","","","","","1.118","","","","has coordinates,has Fobs","214372","2020-10-21","18:00:00",""
"2242871","13.3417","0.0008","7.103","0.0005","25.1418","0.0018","90","","90","","90","","2382.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(<i>Z</i>)-3-(4-Chlorophenyl)-2-phenylacrylonitrile","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C120 H80 Cl8 N8 -","8","1","","Udayakumar, Mani; Cerón, Margarita; Ceballos, Paulina; Percino, Judith; Thamotharan, Subbiah","Quantitative analysis of weak non-covalent interactions in (<i>Z</i>)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from <i>PIXEL</i> and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","4","499","505","10.1107/S2056989019003694","","","1.54178","CuKα","","0.0549","0.0499","","","0.1178","0.1215","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","214373","2020-10-21","18:00:00",""
"2242872","11.28453","0.00011","12.38182","0.00012","6.67905","0.00009","90","","92.0618","0.0006","90","","932.613","0.018","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Acridine","Acridine","","- C13 H9 N -","- C13 H9 N -","- C52 H36 N4 -","4","1","EB2017","Stephens, Peter W.; Schur, Einat; Lapidus, Saul H.; Bernstein, Joel","Acridine form IX","Acta Crystallographica Section E","2019","75","4","489","491","10.1107/S2056989019003645","powder diffraction","","0.699789","synchrotron","","","","","","","","","","1.784","","","","","","","has coordinates,has Fobs","214374","2020-10-21","18:00:00",""
"2242873","30.79","0.003","9.0703","0.0006","4.8579","0.0003","90","","90","","90","","1356.69","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C60 H48 F12 N4 O12 -","4","1","WM5488","Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A.","(<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol","Acta Crystallographica Section E","2019","75","4","470","474","10.1107/S2056989019003220","","","0.71073","MoKα","","0.131","0.0621","","","0.0744","0.0877","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","214375","2020-10-21","18:00:00",""
"2242874","8.526","0.0003","8.8415","0.0003","11.9462","0.0004","88.66","0.002","69.568","0.002","70.724","0.002","792.27","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-{2-[(2-Oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C34 H38 N6 O10 -","2","1","SU5482","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and <i>N</i>-(2,4-dimethoxybenzyl)-2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetamide","Acta Crystallographica Section E","2019","75","4","482","488","10.1107/S2056989019003736","","","0.71073","MoKα","","0.0444","0.0388","","","0.1049","0.1101","","","","","","1.043","","","","has coordinates,has Fobs","214376","2020-10-21","18:00:00",""
"2242875","7.2779","0.0002","8.5759","0.0003","14.4099","0.0005","90","","93.796","0.005","90","","897.41","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-(2,4-Dimethoxybenzyl)-2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetamide","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C40 H38 N2 O12 -","2","1","SU5482","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","The crystal structures of two new coumarin derivatives: 2-(4-{2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetyl}piperazin-1-yl)acetamide and <i>N</i>-(2,4-dimethoxybenzyl)-2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetamide","Acta Crystallographica Section E","2019","75","4","482","488","10.1107/S2056989019003736","","","0.71073","MoKα","","0.1246","0.0832","","","0.2039","0.2425","","","","","","0.979","","","","has coordinates,has Fobs","214376","2020-10-21","18:00:00",""
"2242876","6.1446","0.0006","9.7407","0.0008","11.6801","0.0011","109.657","0.007","92.325","0.008","91.664","0.007","657.13","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9-Bromo-2,5-dimethyl-11,12-dihydro-5<i>H</i>-5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine","","- C13 H13 Br N4 O -","- C13 H13 Br N4 O -","- C26 H26 Br2 N8 O2 -","2","1","","Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine derivatives","Acta Crystallographica Section E","2019","75","4","492","498","10.1107/S2056989019003700","","","0.71073","MoKα","","0.1014","0.045","","","0.0968","0.115","","","","","","0.98","","","","has coordinates,has Fobs","214377","2020-10-21","18:00:00",""
"2242877","11.2814","0.0006","12.6299","0.0006","22.0008","0.0015","90","","90","","90","","3134.7","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5<i>H</i>-5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine derivatives","Acta Crystallographica Section E","2019","75","4","492","498","10.1107/S2056989019003700","","","0.71073","MoKα","","0.1412","0.0385","","","0.0559","0.0725","","","","","","0.798","","","","has coordinates,has Fobs","214377","2020-10-21","18:00:00",""
"2242878","3.8617","0.0008","24.249","0.005","14.724","0.003","90","","94.3","0.03","90","","1374.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]\ diazene","","- C14 H8 Cl3 F N2 -","- C14 H8 Cl3 F N2 -","- C56 H32 Cl12 F4 N8 -","4","1","IS5510","Shikhaliyev, Namiq Q.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bagirova, Khanim N.; Suleymanova, Gulnar T.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","4","465","469","10.1107/S2056989019003657","","","0.80246","synchrotron","","0.0563","0.0528","","","0.1385","0.1419","","","","","","1.054","","","","has coordinates,has Fobs","214378","2020-10-21","18:00:00",""
"2242879","7.7487","0.0003","7.8575","0.0003","21.4486","0.0006","86.136","0.003","88.693","0.002","65.08","0.004","1181.61","0.08","99.97","0.15","99.97","0.15","","","","","","","","6","P -1","-P 1","2","","2,2'-Dithiodibenzoic acid‒2-chlorobenzoic acid‒<i>N</i>,<i>N</i>-dimethylformamide (1/1/1)","","- C24 H22 Cl N O7 S2 -","- C24 H22 Cl N O7 S2 -","- C48 H44 Cl2 N2 O14 S4 -","2","1","HB7808","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:1:1 co-crystal solvate comprising 2,2'-dithiodibenzoic acid, 2-chlorobenzoic acid and <i>N</i>,<i>N</i>-dimethylformamide: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","4","475","481","10.1107/S205698901900375X","","x-ray","1.54184","CuKα","","0.0704","0.0667","","","0.199","0.2025","","","","","","1.097","","","","has coordinates,has Fobs","214379","2020-10-21","18:00:00",""
"2242880","6.7872","0.0002","11.6926","0.0003","19.4863","0.0005","90","","90","","90","","1546.43","0.07","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Heptafluorotolyl-<i>closo</i>-1,2-dicarbadodecaborane","1-(2',3',5',6'-Tetrafluoro-4'-trifluoromethylphenyl)-<i>closo</i>-1,2-dicarbadodecaborane","","- C9 H11 B10 F7 -","- C9 H11 B10 F7 -","- C36 H44 B40 F28 -","4","1","LH5894","Watson, James D.; Benton, Amanda; Tricas, Hugo; Rosair, Georgina M.; Welch, Alan J.","Crystal structure of 1-heptafluorotolyl-<i>closo</i>-1,2-dicarbadodecaborane","Acta Crystallographica Section E","2019","75","4","512","515","10.1107/S2056989019004067","","x-ray","0.71073","MoKα","","0.044","0.0387","","","0.0895","0.0919","","","","","","1.146","","","","has coordinates,has Fobs","214426","2020-10-21","18:00:00",""
"2242881","12.1612","0.0017","14.847","0.002","9.8265","0.0014","90","","90","","90","","1774.2","0.4","125","2","125","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Nitro-2-(trifluoromethyl)benzoic acid","","- C8 H4 F3 N O4 -","- C8 H4 F3 N O4 -","- C64 H32 F24 N8 O32 -","8","1","PK2616","Diehl III, George L.; Je, Lisa; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2019","75","4","524","528","10.1107/S2056989019003979","","","0.71073","MoKα","","0.0569","0.0385","","","0.098","0.1085","","","","","","1.042","","","","has coordinates,has Fobs","214427","2020-10-21","18:00:00",""
"2242882","6.8986","0.0008","17.24","0.002","7.6912","0.0009","90","","107.685","0.002","90","","871.5","0.18","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitro-3-(trifluoromethyl)benzoic acid","","- C8 H4 F3 N O4 -","- C8 H4 F3 N O4 -","- C32 H16 F12 N4 O16 -","4","1","PK2616","Diehl III, George L.; Je, Lisa; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2019","75","4","524","528","10.1107/S2056989019003979","","","0.71073","MoKα","","0.0718","0.048","","","0.1379","0.1499","","","","","","1.052","","","","has coordinates,has Fobs","214427","2020-10-21","18:00:00",""
"2242883","34.229","0.004","11.1051","0.0012","9.2922","0.001","90","","96.526","0.005","90","","3509.2","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Memantine‒carboxyborane","3,5-Dimethyladamantanylamine‒boranecarboxylic acid","","- C13 H24 B N O2 -","- C13 H24 B N O2 -","- C104 H192 B8 N8 O16 -","8","1","HB7806","Ayudhya, Theppawut I.; Rheingold, Arnold L.; Dingra, Nin N.","Crystal structure of memantine‒carboxyborane","Acta Crystallographica Section E","2019","75","5","543","546","10.1107/S2056989019004092","","x-ray","0.71073","MoKα","","0.0817","0.0619","","","0.1424","0.1535","","","","","","1.04","","","","has coordinates,has Fobs","214463","2020-10-21","18:00:00",""
"2242884","29.625","0.0009","29.625","0.0009","10.2427","0.0004","90","","90","","90","","8989.4","0.5","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","4,5,6,7,8,8-Hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione","","- C19 H15 Cl6 N O4 -","- C19 H15 Cl6 N O4 -","- C304 H240 Cl96 N16 O64 -","16","","","Manohar, R.; Harikrishna, M.; Etti, S. Harikrishna; Ramanathan, C.; Gunasekaran, K.","Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione [+solvent]","Acta Crystallographica Section E","2019","75","5","562","564","10.1107/S2056989019004109","","","0.71073","MoKα","","0.0781","0.0414","","","0.0914","0.1011","","","","","","1.038","","","","has coordinates,has Fobs","214464","2020-10-21","18:00:00",""
"2242885","9.8877","0.0006","12.1406","0.0007","14.576","0.0009","71.594","0.003","81.128","0.003","88.249","0.003","1640.06","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^)copper(II) 4,4'-methylenebis(3-hydroxynaphthalene-2-carboxylate)","","- C33 H44 Cu N6 O8 -","- C33 H44 Cu N6 O8 -","- C66 H88 Cu2 N12 O16 -","2","1","HB7810","Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","Crystal structure of <i>trans</i>-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate","Acta Crystallographica Section E","2019","75","5","533","536","10.1107/S2056989019003852","","","0.71073","MoKα","","0.0733","0.0397","","","0.0822","0.0896","","","","","","1.03","","","","has coordinates,has Fobs","214465","2020-10-21","18:00:00",""
"2242886","6.7221","0.0003","7.6279","0.0004","8.5181","0.0004","100.904","0.002","110.125","0.002","102.329","0.002","383.87","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-hydroxido-bis[triaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')scandium(III)] dichloride","","- Cl2 H14 N2 O14 Sc2 -","- Cl2 H14 N2 O14 Sc2 -","- Cl2 H14 N2 O14 Sc2 -","1","0.5","HB4231","Sears, Jeremiah; Cramer, Roger; Boyle, Timothy","Crystal structure of hydroxy scandium nitrate chloride","Acta Crystallographica Section E","2019","75","5","540","542","10.1107/S2056989019003918","","","0.71073","MoKα","","0.0332","0.0238","","","0.053","0.0559","","","","","","1.04","","","","has coordinates,has Fobs","214466","2020-10-21","18:00:00",""
"2242887","10.993","0.008","13.198","0.01","23.799","0.019","90","","90","","90","","3453","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl] 2-methyl (2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-[(2<i>S</i>,3<i>R</i>,5<i>R</i>)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate","","- C38 H50 N2 O7 -","- C38 H50 N2 O7 -","- C152 H200 N8 O28 -","4","1","EB2015","Ivantcova, Polina M.; Sokolov, Mikhail N.; Kudryavtsev, Konstantin V.; Churakov, Andrei V.","Crystal structure of 4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-[(2<i>S</i>,3<i>R</i>,5<i>R</i>)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate","Acta Crystallographica Section E","2019","75","5","537","539","10.1107/S2056989019004079","","","0.71073","MoKα","","0.1295","0.0599","","","0.0918","0.1129","","","","","","1.027","","","","has coordinates,has Fobs","214467","2020-10-21","18:00:00",""
"2242888","15.9049","0.0004","9.9047","0.0002","22.6734","0.0007","90","","94.315","0.002","90","","3561.69","0.16","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Decasodium octa-<i>n</i>-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate","","- C32 H80 Cl6 Na10 O28 Pd2 S8 -","- C32 H80 Cl6 Na10 O28 Pd2 S8 -","- C64 H160 Cl12 Na20 O56 Pd4 S16 -","2","0.5","WM5491","Thoelen, Felix; Frank, Walter","Crystal engineering with short-chained amphiphiles: decasodium octa-<i>n</i>-butanesulfonate di-μ-chlorido-bis[dichloridopalladate(II)] tetrahydrate, a layered inorganic‒organic hybrid material","Acta Crystallographica Section E","2019","75","5","557","561","10.1107/S2056989019004201","","","0.71073","MoKα","","0.075","0.0617","","","0.0958","0.0987","","","","","","1.539","","","","has coordinates,has Fobs","214468","2020-10-21","18:00:00",""
"2242889","12.5954","0.0005","9.1549","0.0003","12.9614","0.0006","90","","101.547","0.003","90","","1464.33","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-Di-<i>tert</i>-butyl-2-chloro-1,3,2-diazaphosphorinane","1,3-Di-<i>tert</i>-butyl-2-chloro-1,3,2-diazaphosphinane","","- C11 H24 Cl N2 P -","- C11 H24 Cl N2 P -","- C44 H96 Cl4 N8 P4 -","4","1","PK2615","Mecke, Erik; Frank, Walter","Crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-1,3,2-diazaphosphorinane {-} a saturated six-membered phosphorus nitrogen heterocycle with a partially flattened chair conformation and a long P^III^—Cl bond","Acta Crystallographica Section E","2019","75","5","552","556","10.1107/S2056989019004195","","","0.71073","MoKα","","0.0547","0.0484","","","0.1052","0.1089","","","","","","1.011","","","","has coordinates,has Fobs","214470","2020-10-21","18:00:00",""
"2242890","9.073","0.008","7.077","0.006","5.597","0.005","90","","105.894","0.01","90","","345.6","0.5","233","2","233.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Dithiane 1,1,4,4-tetraoxide","","- C4 H8 O4 S2 -","- C4 H8 O4 S2 -","- C8 H16 O8 S4 -","2","0.25","JJ2210","Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P.","Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide","Acta Crystallographica Section E","2019","75","5","576","579","10.1107/S2056989019004407","","","0.71073","MoKα","","0.0226","0.0225","","","0.0671","0.0672","","","","","","1.193","","","","has coordinates,has Fobs","214500","2020-10-21","18:00:00",""
"2242891","7.1308","0.0005","5.7245","0.0004","8.376","0.0006","90","","91.138","0.002","90","","341.84","0.04","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dithiane 1,1,4,4-tetraoxide","","- C4 H8 O4 S2 -","- C4 H8 O4 S2 -","- C8 H16 O8 S4 -","2","0.5","JJ2210","Harlow, Richard L.; Oliver, Allen G.; Baker, Jonathan M.; Marshall, William J.; Sammes, Michael P.","Comparison of the C—H···O bonding in two crystalline phases of 1,4-dithiane 1,1,4,4-tetraoxide","Acta Crystallographica Section E","2019","75","5","576","579","10.1107/S2056989019004407","","","0.7288","synchrotron","","0.0325","0.0281","","","0.0623","0.0648","","","","","","1.111","","","","has coordinates,has Fobs","214500","2020-10-21","18:00:00",""
"2242892","14.6474","0.0014","17.522","0.002","8.9048","0.0008","90","","90","","90","","2285.4","0.4","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","(<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","NR2074","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","(<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions","Acta Crystallographica Section E","2019","75","5","571","575","10.1107/S2056989019004444","","","0.71073","MoKα","","0.0403","0.033","","","0.087","0.0935","","","","","","1.06","","","","has coordinates,has Fobs","214501","2020-10-21","18:00:00",""
"2242893","11.7007","0.0006","7.0419","0.0003","31.2567","0.0017","90","","98.379","0.005","90","","2547.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-4-(5-methyl-1<i>H</i>-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one 5-methyl-4-(5-methyl-1<i>H</i>-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-1-ide monohydrate","","- C28 H30 N8 O3 -","- C28 H30 N8 O3 -","- C112 H120 N32 O12 -","4","1","HB7813","Asiri, Abdullah M.; Alzahrani, Khalid A. H.; Faidallah, Hassan M.; Alamry, Khalid A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1<i>H</i>-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one 5-methyl-4-(5-methyl-1<i>H</i>-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-1-ide monohydrate","Acta Crystallographica Section E","2019","75","5","565","570","10.1107/S2056989019004389","","","0.71073","MoKα","","0.0731","0.0516","","","0.1213","0.1371","","","","","","1.06","","","","has coordinates,has Fobs","214502","2020-10-21","18:00:00",""
"2242894","18.451","0.005","8.169","0.005","11.591","0.005","90","","100.059","0.005","90","","1720.2","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[1-Hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Faizi, Md. Serajul Haque; Sen, Pratik; Saxena, Gyanesh Kumar; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[1-hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol","Acta Crystallographica Section E","2019","75","5","600","603","10.1107/S2056989019004377","","","0.71073","MoKα","","0.0914","0.0448","","","0.0862","0.1002","","","","","","1.016","","","","has coordinates,has Fobs","214581","2020-10-21","18:00:00",""
"2242895","9.1943","0.0003","12.9081","0.0004","19.4486","0.0005","90","","90","","90","","2308.18","0.12","150","0.14","150","0.14","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Sodium 1-(trimethylammonio)undecachloro-<i>closo</i>-dodecaborate sulfur dioxide","","- C3 H9 B12 Cl11 N Na O2 S -","- C3 H9 B12 Cl11 N Na O2 S -","- C12 H36 B48 Cl44 N4 Na4 O8 S4 -","4","1","CQ2030","Jenne, Carsten; van Lessen, Valentin","Na^+^[Me~3~NB~12~Cl~11~]^{-^}·SO~2~: a rare example of a sodium‒SO~2~ complex","Acta Crystallographica Section E","2019","75","5","607","610","10.1107/S2056989019004663","","x-ray","0.71073","MoKα","","0.0368","0.031","","","0.0624","0.064","","","","","","1.039","","","","has coordinates,has Fobs","214582","2020-10-21","18:00:00",""
"2242896","8.2246","0.0002","15.1419","0.0004","8.6851","0.0002","90","","93.339","0.002","90","","1079.77","0.05","298","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]\ chloridochromium(II) monohydrate","","- C14 H30 Cl Cr N3 O9 -","- C14 H30 Cl Cr N3 O9 -","- C28 H60 Cl2 Cr2 N6 O18 -","2","1","","Saidi, Meriem; Giorgi, Michel; Boukli-hacene, Leila","Sonochemical synthesis and crystal structure of dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]chloridochromium(II) monohydrate","Acta Crystallographica Section E","2019","75","5","604","606","10.1107/S2056989019004717","","x-ray","1.54184","CuKα","","0.0533","0.0525","","","0.143","0.1459","","","","","","1.076","","","","has coordinates,has Fobs","214583","2020-10-21","18:00:00",""
"2242897","17.7734","0.0002","4.97864","0.00004","18.7681","0.0002","90","","114.226","0.0014","90","","1514.49","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-{<i>N</i>-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)-<i>L</i>-α-aspartyl]-<i>L</i>-α-aspartyl}-<i>L</i>-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester","","- C28 H37 N3 O13 -","- C28 H37 N3 O13 -","- C56 H74 N6 O26 -","2","1","IS5511","Kato, Takuma; Kishimoto, Saki; Asano, Akiko; Doi, Mitsunobu","Crystal structure of <i>N</i>-{<i>N</i>-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)-<small>L</small>-α-aspartyl]-<small>L</small>-α-aspartyl}-<small>L</small>-α-aspartic acid 1^4^,2^4^,3^4^-trimethyl ester 3^1^-2-oxo-2-phenylethyl ester {Boc-[Asp(OMe)]~3~-OPac}","Acta Crystallographica Section E","2019","75","5","585","588","10.1107/S2056989019004596","","","1.54184","CuKα","","0.0266","0.0258","","","0.0716","0.0723","","","","","","0.766","","","","has coordinates,has disorder,has Fobs","214584","2020-10-21","18:00:00",""
"2242898","7.1314","0.0002","13.465","0.0003","15.4586","0.0004","106.533","0.001","97.98","0.001","102.843","0.001","1354.61","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate","","- C31 H31 N3 O5 S -","- C31 H31 N3 O5 S -","- C62 H62 N6 O10 S2 -","2","1","RZ5251","Gautier, Yohan; Maris, Thierry; Skene, W. G.","Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2019","75","5","589","592","10.1107/S2056989019003864","","x-ray","1.34139","GaKα","","0.037","0.0358","","","0.0954","0.0967","","","","","","1.047","","","","has coordinates,has Fobs","214585","2020-10-21","18:00:00",""
"2242899","18.4615","0.0008","12.8567","0.0005","7.9251","0.0004","90","","96.926","0.002","90","","1867.33","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-2-(2,4-Dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C20 H16 Cl2 N2 O3 S -","- C20 H16 Cl2 N2 O3 S -","- C80 H64 Cl8 N8 O12 S4 -","4","1","LH5895","Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; El Ghayati, Lhoussaine; Bouzian, Younes; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT study of (2<i>Z</i>)-2-(2,4-dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2019","75","5","593","599","10.1107/S2056989019004250","","","1.54178","CuKα","","0.0399","0.0346","","","0.088","0.0926","","","","","","1.053","","","","has coordinates,has Fobs","214586","2020-10-21","18:00:00",""
"2242900","26.6755","0.0019","9.3259","0.0007","10.0405","0.0008","90","","99.56","0.004","90","","2463.1","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene","","- C14 H12 Cl2 -","- C14 H12 Cl2 -","- C112 H96 Cl16 -","8","1","HB7814","Jotani, Mukesh M.; Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","5","623","630","10.1107/S2056989019004742","","","0.71073","MoKα","","0.0404","0.0329","","","0.0852","0.0897","","","","","","1.04","","","","has coordinates,has Fobs","214626","2020-10-21","18:00:00",""
"2242901","10.8761","0.0002","7.5157","0.0001","15.6131","0.0003","90","","106.177","0.001","90","","1225.71","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Bromo-4-[2-(4-chlorophenyl)ethyl]benzene","","- C14 H12 Br2 -","- C14 H12 Br2 -","- C56 H48 Br8 -","4","1","HB7814","Jotani, Mukesh M.; Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","1-Chloro-4-[2-(4-chlorophenyl)ethyl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","5","623","630","10.1107/S2056989019004742","","","0.71073","MoKα","","0.038","0.0259","","","0.055","0.0583","","","","","","1.032","","","","has coordinates,has Fobs","214626","2020-10-21","18:00:00",""
"2242902","20.396","0.003","16.066","0.003","21.738","0.003","90","","90","","90","","7123","2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate","","- C33 H40 N4 Ni3 O7 S3 -","- C33 H40 N4 Ni3 O7 S3 -","- C264 H320 N32 Ni24 O56 S24 -","8","1","EX2019","Rusanova, Julia A.; Kokozay, Vladimir N.; Pokas, Olena V.","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate: crystal structure, spectroscopic characterization and antibacterial activity","Acta Crystallographica Section E","2019","75","5","615","618","10.1107/S2056989019004730","","","0.71073","MoKα","","0.084","0.0424","","","0.0956","0.1132","","","","","","0.996","","","","has coordinates,has Fobs","214627","2020-10-21","18:00:00",""
"2242903","10.2301","0.0002","15.2456","0.0003","21.5426","0.0005","90","","90","","90","","3359.87","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II))","","- C36 H40 N4 Ni2 O8 -","- C36 H40 N4 Ni2 O8 -","- C144 H160 N16 Ni8 O32 -","4","0.5","LH5898","Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand","Acta Crystallographica Section E","2019","75","5","619","622","10.1107/S2056989019004766","","x-ray","0.71073","MoKα","","0.0574","0.0407","","","0.0793","0.0875","","","","","","1.026","","","","has coordinates,has Fobs","214628","2020-10-21","18:00:00",""
"2242904","18.2525","0.0004","7.07855","0.00016","11.2207","0.0002","90","","98.556","0.002","90","","1433.59","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole","","- C18 H19 F N2 O -","- C18 H19 F N2 O -","- C72 H76 F4 N8 O4 -","4","1","","Al-Wahaibi, Lamya H.; Alsfouk, Aisha; El-Emam, Ali A.; Blacque, Olivier","Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2019","75","5","611","615","10.1107/S2056989019004651","","x-ray","1.54184","CuKα","","0.0851","0.0798","","","0.2309","0.2331","","","","","","1.229","","","","has coordinates,has Fobs","214629","2020-10-21","18:00:00",""
"2242905","13.08241","0.00019","6.49259","0.00009","18.5129","0.0003","90","","105.561","0.0016","90","","1514.82","0.04","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Al-Wahaibi, Lamya H.; Alsfouk, Aisha; El-Emam, Ali A.; Blacque, Olivier","Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2019","75","5","611","615","10.1107/S2056989019004651","","x-ray","1.54184","CuKα","","0.0621","0.0607","","","0.1658","0.1669","","","","","","1.077","","","","has coordinates,has Fobs","214629","2020-10-21","18:00:00",""
"2242906","6.03","0.001","24.875","0.005","11.239","0.002","90","","114.249","0.002","90","","1537.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-3-([2,2'-bithiophen]-5-yl)prop-2-en-1-one","","- C18 H12 O3 S2 -","- C18 H12 O3 S2 -","- C72 H48 O12 S8 -","4","1","JJ2209","Anizaim, Ainizatul Husna; Zaini, Muhamad Fikri; Laruna, Muhammad Adlan; Razak, Ibrahim Abdul; Arshad, Suhana","(<i>E</i>)-1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-3-([2,2'-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV‒Vis analysis and theoretical studies of a new π-conjugated chalcone","Acta Crystallographica Section E","2019","75","5","632","637","10.1107/S2056989019004912","","","0.71073","MoKα","","0.0911","0.0583","","","0.142","0.1635","","","","","","1.038","","","","has coordinates,has Fobs","214652","2020-10-21","18:00:00",""
"2242907","6.5227","0.0003","7.8979","0.0004","30.7774","0.0015","90","","95.389","0.002","90","","1578.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Methoxyphenyl)-1-methyl-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C76 H64 N16 O4 -","4","1","WM5499","El Hafi, Mohamed; Kansiz, Sevgi; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2019","75","5","638","641","10.1107/S2056989019004894","","","1.54178","CuKα","","0.0471","0.0389","","","0.0865","0.0913","","","","","","1.056","","","","has coordinates,has Fobs","214653","2020-10-21","18:00:00",""
"2242908","11.5504","0.0007","13.8047","0.0007","22.3899","0.0012","90","","90","","90","","3570.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","WM5490","Faizi, Md. Serajul Haque; Kamaal, Saima; Ali, Arif; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-(2-hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","Acta Crystallographica Section E","2019","75","5","646","649","10.1107/S2056989019005103","","","0.71073","MoKα","","0.0706","0.044","","","0.0947","0.1131","","","","","","1.05","","","","has coordinates,has Fobs","214702","2020-10-21","18:00:00",""
"2242909","11.225","0.0006","7.2547","0.0005","11.1397","0.0006","90","","100.978","0.005","90","","890.55","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-[(Ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide)","","- C18 H18 N4 O2 S2 -","- C18 H18 N4 O2 S2 -","- C36 H36 N8 O4 S4 -","2","0.5","VM2216","Samb, Issa; Gaye, Nango; Sylla-Gueye, Rokhaya; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Retailleau, Pascal","Crystal structure of <i>N</i>,<i>N</i>'-[(ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide)","Acta Crystallographica Section E","2019","75","5","642","645","10.1107/S205698901900495X","","x-ray","0.71073","MoKα","","0.0491","0.0416","","","0.1153","0.1209","","","","","","1.053","","","","has coordinates,has Fobs","214703","2020-10-21","18:00:00",""
"2242910","5.8511","0.0006","12.5544","0.0015","21.069","0.002","90","","92.666","0.008","90","","1546","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,6-Dichlorobenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one","","- C17 H12 Cl2 N2 O -","- C17 H12 Cl2 N2 O -","- C68 H48 Cl8 N8 O4 -","4","1","DX2016","El Kali, Fouad; Kansiz, Sevgi; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2019","75","5","650","654","10.1107/S2056989019005139","","","0.71073","MoKα","","0.1593","0.0561","","","0.0732","0.0943","","","","","","0.882","","","","has coordinates,has Fobs","214704","2020-10-21","18:00:00",""
"2242911","8.0599","0.0003","8.6086","0.0004","12.7608","0.0005","96.548","0.002","92.518","0.002","111.065","0.002","817.39","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-[(4-Fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","","- C16 H15 Br F N3 S -","- C16 H15 Br F N3 S -","- C32 H30 Br2 F2 N6 S2 -","2","1","RZ5254","Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Huseynova, Afet T.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2019","75","5","662","666","10.1107/S2056989019004973","","","0.71073","MoKα","","0.0396","0.0285","","","0.0721","0.0769","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","214746","2020-10-21","18:00:00",""
"2242912","7.8218","0.0007","8.4207","0.0006","12.3402","0.0011","99.838","0.007","95.771","0.007","96.515","0.007","789.67","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>rac</i>-2-[2-(4-Chlorophenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-ylidene]hydrazine-1-carbothioamide","","- C16 H14 Cl N3 O S -","- C16 H14 Cl N3 O S -","- C32 H28 Cl2 N6 O2 S2 -","2","1","ZP2036","Zatsu, Ruokuosenuo; Maddela, Prabhakar; Indira Devi, M.; Singh, Ranjit; Pradeep, Chullikkattil P.","Crystal structure and Hirshfeld surface analysis of <i>rac</i>-2-[2-(4-chlorophenyl)-3,4-dihydro-2<i>H</i>-1-benzopyran-4-ylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E","2019","75","5","707","710","10.1107/S2056989019005073","","","1.54184","CuKα","","0.0488","0.0422","","","0.1133","0.1207","","","","","","1.046","","","","has coordinates,has Fobs","214789","2020-10-21","18:00:00",""
"2242913","8.0971","0.0006","12.6116","0.001","8.7325","0.0007","90","","114.975","0.001","90","","808.36","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1<i>H</i>-Pyridine-2-selenenyl dibromide","Dibromo(pyridin-1-ium-2-yl)selanide","","- C5 H5 Br2 N Se -","- C5 H5 Br2 N Se -","- C20 H20 Br8 N4 Se4 -","4","1","YK2121","Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Naumov, Vladimir I.; Borisova, Galina N.; Osmanov, Vladimir K.; Borisov, Alexander V.; Grishina, Maria M.; Khrustalev, Victor N.","Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1<i>H</i>-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3a<i>SR</i>,9a<i>RS</i>)-2,3,3a,9a-tetrahydro-1<i>H</i>-cyclopenta[4,5][1,3]selenazolo[3,2-<i>a</i>]pyridinium bromide","Acta Crystallographica Section E","2019","75","5","675","679","10.1107/S2056989019004997","","","0.71073","MoKα","","0.0433","0.0317","","","0.0701","0.074","","","","","","1.032","","","","has coordinates,has Fobs","214790","2020-10-21","18:00:00",""
"2242914","6.3333","0.0005","9.0515","0.0007","9.5807","0.0007","111.35","0.001","93.657","0.002","93.543","0.001","508.35","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(3a<i>SR</i>,9a<i>RS</i>)-2,3,3a,9a-Tetrahydro-1<i>H</i>-cyclopenta[4,5]\ [1,3]selenazolo[3,2-<i>a</i>]pyridinium bromide","7-Selena-1λ^5^-azatricyclo[6.4.0.0^2,6^]dodeca-1(12),8,10-trien-1-ylium bromide","","- C10 H12 Br N Se -","- C10 H12 Br N Se -","- C20 H24 Br2 N2 Se2 -","2","1","YK2121","Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Naumov, Vladimir I.; Borisova, Galina N.; Osmanov, Vladimir K.; Borisov, Alexander V.; Grishina, Maria M.; Khrustalev, Victor N.","Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1<i>H</i>-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3a<i>SR</i>,9a<i>RS</i>)-2,3,3a,9a-tetrahydro-1<i>H</i>-cyclopenta[4,5][1,3]selenazolo[3,2-<i>a</i>]pyridinium bromide","Acta Crystallographica Section E","2019","75","5","675","679","10.1107/S2056989019004997","","","0.71073","MoKα","","0.0376","0.0302","","","0.0772","0.0803","","","","","","1.056","","","","has coordinates,has Fobs","214790","2020-10-21","18:00:00",""
"2242915","10.8204","0.001","3.9364","0.0003","40.42","0.003","90","","97.651","0.003","90","","1706.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C92 H60 N4 O12 -","4","1","","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Crystal structure and optical properties of fused-ring chalcone (<i>E</i>)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","5","685","689","10.1107/S2056989019005243","","","0.71073","MoKα","","0.1154","0.0737","","","0.1638","0.1784","","","","","","1.091","","","","has coordinates,has Fobs","214791","2020-10-21","18:00:00",""
"2242916","13.2989","0.0011","12.7097","0.0007","23.33","0.0016","90","","93.727","0.006","90","","3935","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","10,10'-Oxybis(9-thia-10-hydro-10-boraanthracene)","","- C24 H16 B2 O S2 -","- C24 H16 B2 O S2 -","- C192 H128 B16 O8 S16 -","8","4","LH5900","Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene)","Acta Crystallographica Section E","2019","75","5","690","694","10.1107/S205698901900522X","","","0.71073","MoKα","","0.0581","0.045","","","0.0779","0.0816","","","","","","0.899","","","","has coordinates,has Fobs","214792","2020-10-21","18:00:00",""
"2242917","23.2471","0.0018","12.5949","0.0016","13.3561","0.0011","90","","92.217","0.006","90","","3907.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,10'-Oxybis(9-thia-10-hydro-10-boraanthracene)","","- C24 H16 B2 O S2 -","- C24 H16 B2 O S2 -","- C192 H128 B16 O8 S16 -","8","2","LH5900","Radtke, Julian; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism and pseudosymmetry of 10,10'-oxybis(9-thia-10-hydro-10-boraanthracene)","Acta Crystallographica Section E","2019","75","5","690","694","10.1107/S205698901900522X","","","0.71073","MoKα","","0.1765","0.0788","","","0.1461","0.1835","","","","","","0.864","","","","has coordinates,has Fobs","214792","2020-10-21","18:00:00",""
"2242918","38.972","0.002","7.5746","0.0004","20.8208","0.0012","90","","116.551","0.002","90","","5498","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,6-diaminopyridinium) bis(oxalato)dioxidovanadate(V) 2.5-hydrate","","- C19 H29 N9 O12.5 V -","- C19 H29 N9 O12.5 V -","- C152 H232 N72 O100 V8 -","8","1","","Sehimi, Hiba; Akitsu, Takashiro; Zid, Mohamed Faouzi","Synthesis and structural study of tris(2,6-diaminopyridinium) bis(oxalato)dioxidovanadate(V) 2.5-hydrate","Acta Crystallographica Section E","2019","75","5","680","684","10.1107/S2056989019005267","","","0.71073","MoKα","","0.0341","0.0315","","","0.0851","0.0868","","","","","","1.1","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242919","5.4252","0.0015","9.83","0.003","11.137","0.003","74.636","0.005","83.418","0.005","80.255","0.005","562.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4-{(<i>E</i>)-3-[(Imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide","","- C8 H12 N6 O2 S -","- C8 H12 N6 O2 S -","- C16 H24 N12 O4 S2 -","2","1","ZL2753","Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed","Crystal structures of 4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide","Acta Crystallographica Section E","2019","75","5","695","699","10.1107/S205698901900519X","","","0.71073","MoKα","","0.0534","0.0387","","","0.0968","0.104","","","","","","1.009","","","","has coordinates,has Fobs","214794","2020-10-21","18:00:00",""
"2242920","6.6151","0.0018","9.563","0.003","11.634","0.003","108.645","0.004","105.994","0.004","93.828","0.004","660.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(Imino-λ^5^-azanylidene)amino]-4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide","","- C8 H11 N9 O2 S -","- C8 H11 N9 O2 S -","- C16 H22 N18 O4 S2 -","2","1","","Cruz, Lorenzo M.; Moore, Raakiyah Y.; Gutierrez, Marcela Torres; Herath, Apsara K.; Lovely, Carl J.; Yousufuddin, Muhammed","Crystal structures of 4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide and 2-[(imino-λ^5^-azanylidene)amino]-4-{(<i>E</i>)-3-[(imino-λ^5^-azanylidene)amino]prop-1-enyl}-<i>N</i>,<i>N</i>-dimethylimidazole-1-sulfonamide","Acta Crystallographica Section E","2019","75","5","695","699","10.1107/S205698901900519X","","","0.71073","MoKα","","0.0622","0.0428","","","0.1014","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","214794","2020-10-21","18:00:00",""
"2242921","7.85","0.0006","9.833","0.0008","6.754","0.0006","90","","90.202","0.004","90","","521.33","0.07","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","BR4TN","2,3,5,6-Tetrabromoterephthalonitrile","","- C8 Br4 N2 -","- C8 Br4 N2 -","- C16 Br8 N4 -","2","0.25","HB7811","Noland, Wayland E.; Schneerer, Andrew K.; Raberge, Emilie J.; Tritch, Kenneth J.","Crystal structure of 2,3,5,6-tetrabromoterephthalodinitrile","Acta Crystallographica Section E","2019","75","5","703","706","10.1107/S2056989019005486","","","0.71073","MoKα","","0.0324","0.0286","","","0.0705","0.0723","","","","","","1.042","","","","has coordinates,has Fobs","214795","2020-10-21","18:00:00",""
"2242922","7.2288","0.0014","6.8265","0.0014","23.922","0.005","90","","98.69","0.03","90","","1166.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid monohydrate","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C40 H48 N16 O12 -","4","1","EX2020","Moreira, Olívia B. O.; Freitas, Maria Clara R.; Souza, Karynne C.; Jordão, Alessandro K.; Resende, Jackson A. L. C.","Crystal structure of 1-anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid monohydrate","Acta Crystallographica Section E","2019","75","6","738","741","10.1107/S2056989019005711","","","0.71073","MoKα","","0.0718","0.0412","","","0.0876","0.0997","","","","","","1.037","","","","has coordinates,has Fobs","214935","2020-10-21","18:00:00",""
"2242923","18.8247","0.0003","13.885","0.0002","22.2056","0.0004","90","","109.413","0.002","90","","5474.14","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Potassium chloridotris(hypersiloxy)aluminate dimer","Di-μ~3~-chlorido-bis[μ~2~-tris(trimethylsilyl)silanolato]tetrakis[tris(trimethylsilyl)silanolato]dialuminiumdipotassium","","- C54 H162 Al2 Cl2 K2 O6 Si24 -","- C54 H162 Al2 Cl2 K2 O6 Si24 -","- C108 H324 Al4 Cl4 K4 O12 Si48 -","2","0.5","NK2251","Purdy, Andrew P.; Butcher, Raymond J.","Potassium chloridotris(hypersiloxy)aluminate dimer","Acta Crystallographica Section E","2019","75","6","714","716","10.1107/S2056989019005310","","","1.54184","CuKα","","0.0521","0.0418","","","0.1075","0.1168","","","","","","1.039","","","","has coordinates,has Fobs","214936","2020-10-21","18:00:00",""
"2242924","11.9736","0.0005","6.8854","0.0004","12.2746","0.0005","90","","92.938","0.004","90","","1010.63","0.08","110","","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(6-Chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one","","- C10 H9 Cl N4 O -","- C10 H9 Cl N4 O -","- C40 H36 Cl4 N16 O4 -","4","1","ZP2033","Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F.","Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol","Acta Crystallographica Section E","2019","75","6","732","737","10.1107/S2056989019004432","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1066","0.111","","","","","","1.07","","","","has coordinates,has Fobs","214938","2020-10-21","18:00:00",""
"2242925","6.1101","0.0004","8.6075","0.0005","11.0083","0.0007","68.957","0.006","83.799","0.005","87.189","0.005","537.15","0.06","110","","110","2","","","","","","","","5","P -1","-P 1","2","","3-[(6-Chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C20 H26 Cl2 N8 O2 -","2","1","ZP2033","Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F.","Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol","Acta Crystallographica Section E","2019","75","6","732","737","10.1107/S2056989019004432","","","1.54184","CuKα","","0.0401","0.0371","","","0.0952","0.098","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","214938","2020-10-21","18:00:00",""
"2242926","12.7276","0.0008","5.9725","0.0004","14.819","0.001","90","","108.25","0.003","90","","1069.81","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(6-Chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol","","- C10 H11 Cl N4 O -","- C10 H11 Cl N4 O -","- C40 H44 Cl4 N16 O4 -","4","1","ZP2033","Yaseen, Ayat; Hassan, Muhammad Murtaza; Lee-Ruff, Edward; Audette, Gerald F.","Crystal structures of the synthetic intermediate 3-[(6-chloro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-dihydro-7<i>H</i>-purin-7-yl)methyl]cyclobutan-1-ol and 3-[(6-chloro-9<i>H</i>-purin-9-yl)methyl]cyclobutan-1-ol","Acta Crystallographica Section E","2019","75","6","732","737","10.1107/S2056989019004432","","x-ray","1.54178","CuKα","","0.044","0.0378","","","0.0944","0.1029","","","","","","0.94","","","","has coordinates","214938","2020-10-21","18:00:00",""
"2242927","4.7724","0.0006","14.4069","0.0017","15.6857","0.0019","90","","98.393","0.002","90","","1066.9","0.2","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Ascorbic acid‒4,4'-bipyridine (1/1)","","- C22 H24 N2 O12 -","- C22 H24 N2 O12 -","- C44 H48 N4 O24 -","2","1","EB2018","Sylvester, Eric; McGovern, Mitchell; Young Lee, An; Nguyen, Phanxico; Park, Jungeun; Benedict, Jason B.","Partial charge transfer in the salt co-crystal of <small>L</small>-ascorbic acid and 4,4'-bipyridine","Acta Crystallographica Section E","2019","75","6","728","731","10.1107/S2056989019005334","","x-ray","0.71073","MoKα","","0.0472","0.0396","","","0.095","0.0994","","","","","","1.0607","","","","has coordinates,has disorder","214939","2020-10-21","18:00:00",""
"2242928","6.5687","0.0006","7.9971","0.0007","15.4939","0.0013","98.105","0.004","94.316","0.004","95.002","0.004","799.54","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","3-{(2<i>Z</i>)-2-[(2,4-Dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl}propanenitrile","","- C18 H12 Cl2 N2 O S -","- C18 H12 Cl2 N2 O S -","- C36 H24 Cl4 N4 O2 S2 -","2","1","LH5901","Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Jaouhar, Abdelhakim; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2<i>Z</i>)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl}propanenitrile","Acta Crystallographica Section E","2019","75","6","721","727","10.1107/S2056989019005966","","","1.54178","CuKα","","0.0385","0.0353","","","0.0926","0.0952","","","","","","1.059","","","","has coordinates,has Fobs","214940","2020-10-21","18:00:00",""
"2242929","17.413","0.0006","7.5325","0.0003","18.5443","0.0006","90","","94.567","0.001","90","","2424.61","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Iodo-4-phenylthiazol-2-yl)acetamide","","- C11 H9 I N2 O S -","- C11 H9 I N2 O S -","- C88 H72 I8 N16 O8 S8 -","8","2","LH5897","Herrera-España, Angel D.; Aguilera-González, Jesús; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David","Crystal structure and Hirshfeld surface analysis of <i>N</i>-(5-iodo-4-phenylthiazol-2-yl)acetamide","Acta Crystallographica Section E","2019","75","6","717","720","10.1107/S2056989019004791","","","0.71073","MoKα","","0.0323","0.0289","","","0.0707","0.0734","","","","","","1.116","","","","has coordinates,has Fobs","214941","2020-10-21","18:00:00",""
"2242930","4.9409","0.0004","39.015","0.003","5.8447","0.0004","90","","100.905","0.003","90","","1106.33","0.15","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>,<i>N</i>'-[(Ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(<i>L</i>-alaninate)","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","ZP2034","Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin","Crystal structure of dimethyl <i>N</i>,<i>N</i>'-[(ethyne-1,2-diyl)bis(1,4-phenylenecarbonyl)]bis(<small>L</small>-alaninate)","Acta Crystallographica Section E","2019","75","6","751","754","10.1107/S2056989019005826","","","0.71073","MoKα","","0.0785","0.0545","","","0.1143","0.1247","","","","","","1.004","","","","has coordinates,has Fobs","215129","2020-10-21","18:00:00",""
"2242931","11.5047","0.0009","23.41","0.003","13.4115","0.0011","90","","104.305","0.008","90","","3500.1","0.6","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide","","- C14 H10 N4 O -","- C14 H10 N4 O -","- C168 H120 N48 O12 -","12","3","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of the ligand <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex","Acta Crystallographica Section E","2019","75","6","755","761","10.1107/S2056989019005450","","","0.71073","MoKα","","0.1014","0.0594","","","0.1095","0.1335","","","","","","1.165","","","","has coordinates,has Fobs","215130","2020-10-21","18:00:00",""
"2242932","8.1485","0.0007","11.2132","0.0009","14.2662","0.0012","98.352","0.009","93.668","0.01","103.578","0.009","1247.11","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Hexa-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^8^<i>O</i>:<i>O</i>'; 3:4κ^2^<i>O</i>:<i>O</i>'-dimethanol-1κ<i>O</i>,2κ<i>O</i>-bis[<i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide]-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>''; 4κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-tetracopper(II) methanol disolvate","","- C44 H52 Cu4 N8 O18 -","- C44 H52 Cu4 N8 O18 -","- C44 H52 Cu4 N8 O18 -","1","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of the ligand <i>N</i>-(quinolin-8-yl)pyrazine-2-carboxamide and of a tetranuclear copper(II) complex","Acta Crystallographica Section E","2019","75","6","755","761","10.1107/S2056989019005450","","","0.71073","MoKα","","0.0359","0.031","","","0.0814","0.0833","","","","","","0.978","","","","has coordinates,has Fobs","215130","2020-10-21","18:00:00",""
"2242933","17.592","0.0002","14.0777","0.0003","5.7956","0.0001","90","","98.742","0.001","90","","1418.63","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(4-bromophenyl)penta-1,4-dien-3-one","","- C17 H12 Br2 O -","- C17 H12 Br2 O -","- C68 H48 Br8 O4 -","4","1","HB7821","Arif Tawfeeq, Nabeel; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ravoof, Thahira B. S. A.","Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bischalcone: (1<i>E</i>,4<i>E</i>)-1,5-bis(4-bromophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2019","75","6","774","779","10.1107/S2056989019006480","","","1.54178","CuKα","","0.0242","0.0224","","","0.0551","0.0558","","","","","","1.154","","","","has coordinates,has Fobs","215131","2020-10-21","18:00:00",""
"2242934","8.728","0.002","8.757","0.002","12.094","0.003","77.768","0.019","80.822","0.019","61.929","0.018","795.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-2-(2,4,6-Trimethylbenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","WM5495","Baydere, Cemile; Taşçı, Merve; Dege, Necmi; Arslan, Mustafa; Atalay, Yusuf; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2019","75","6","746","750","10.1107/S2056989019006182","","","0.71073","MoKα","","0.1695","0.0614","","","0.121","0.155","","","","","","0.906","","","","has coordinates,has Fobs","215132","2020-10-21","18:00:00",""
"2242935","12.0614","0.0011","9.696","0.0006","26.688","0.002","90","","99.619","0.007","90","","3077.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-Chloro-5-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate","","- C14 H10.5 Cl N4.5 O5 -","- C14 H10.5 Cl N4.5 O5 -","- C112 H84 Cl8 N36 O40 -","8","1","","Dege, Necmi; Faizi, Md. Serajul Haque; Doğan, Onur Erman; Ağar, Erbil; Golenya, Irina A.","Crystal structure and DFT study of (<i>E</i>)-2-chloro-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate","Acta Crystallographica Section E","2019","75","6","770","773","10.1107/S205698901900642X","","","0.71073","MoKα","","0.1402","0.0574","","","0.1115","0.1366","","","","","","0.93","","","","has coordinates,has Fobs","215133","2020-10-21","18:00:00",""
"2242936","20.9154","0.0011","11.4208","0.0006","8.8938","0.0006","90","","90","","90","","2124.5","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazole-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate","","- C23 H18 N4 O2 S -","- C23 H18 N4 O2 S -","- C92 H72 N16 O8 S4 -","4","1","WM5496","Demir Kanmazalp, Sibel; Şen, Pınar; Dege, Necmi; Yildiz, Salih Zeki; Ozdemir, Namık; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2019","75","6","780","784","10.1107/S2056989019006510","","","0.71073","MoKα","","0.101","0.0421","","","0.084","0.0976","","","","","","0.833","","","","has coordinates,has disorder,has Fobs","215134","2020-10-21","18:00:00",""
"2242937","9.32","0.003","9.974","0.003","12.949","0.005","90","","109.71","0.013","90","","1133.2","0.7","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]","","- C21 H20 Cl Cu N5 O6 -","- C21 H20 Cl Cu N5 O6 -","- C42 H40 Cl2 Cu2 N10 O12 -","2","1","ZL2754","Cioncoloni, Giacomo; Wilson, Claire; Roger, Isolda; Symes, Mark D.","Crystal structure of <i>catena</i>-poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]","Acta Crystallographica Section E","2019","75","6","789","793","10.1107/S2056989019006285","","","0.71073","MoKα","","0.0838","0.0584","","","0.1329","0.1466","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","215172","2020-10-21","18:00:00",""
"2242938","11.3954","0.0019","11.746","0.002","10.3067","0.0017","90","","115.94","0.012","90","","1240.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-6-[(2-Hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","WM5504","Kansiz, Sevgi; Aydin, Alev Sema; Dege, Necmi; Agar, Erbil; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-6-[(2-hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2019","75","6","785","788","10.1107/S2056989019006583","","","0.71073","MoKα","","0.1368","0.0643","","","0.13","0.1564","","","","","","0.987","","","","has coordinates,has Fobs","215173","2020-10-21","18:00:00",""
"2242939","7.1153","0.0004","11.0075","0.0006","18.2771","0.001","90","","105.766","0.005","90","","1377.64","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3-Hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","RZ5252","Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Balasubramani, Kasthuri; Premkumar, Ganesan; Swu, Toka","Crystal structure, Hirshfeld surface analysis and HOMO‒LUMO analysis of (<i>E</i>)-<i>N</i>'-(3-hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E","2019","75","6","804","807","10.1107/S2056989019006492","","","0.71073","MoKα","","0.0494","0.0362","","","0.0905","0.1006","","","","","","1.04","","","","has coordinates,has Fobs","215174","2020-10-21","18:00:00",""
"2242940","18.0683","0.0013","8.019","0.0006","9.8513","0.0005","90","","90","","90","","1427.35","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one","","- C15 H13 Br O2 S -","- C15 H13 Br O2 S -","- C60 H52 Br4 O8 S4 -","4","1","HB7825","Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry","Acta Crystallographica Section E","2019","75","6","816","822","10.1107/S2056989019006765","","","0.71073","MoKα","","0.0728","0.0354","","","0.0732","0.0863","","","","","","0.902","","","","has coordinates,has Fobs","215247","2020-10-21","18:00:00",""
"2242941","7.154","0.0006","8.2591","0.0006","10.4459","0.0008","108.502","0.002","97.499","0.002","94.512","0.002","575.54","0.08","100","","100","","","","","","","","synthesised by authors, see text","6","P 1","P 1","1","","Di-μ-chlorido-bis[dichlorido(<i>L</i>-histidinium-κ<i>O</i>)cadmium(II)]","","- C12 H20 Cd2 Cl6 N6 O4 -","- C12 H20 Cd2 Cl6 N6 O4 -","- C12 H20 Cd2 Cl6 N6 O4 -","1","1","","Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal","Crystal structure of di-μ-chlorido-bis[dichlorido(<small>L</small>-histidinium-κ<i>O</i>)cadmium(II)]","Acta Crystallographica Section E","2019","75","6","823","825","10.1107/S205698901900690X","","","0.71073","MoKα","","0.0238","0.0235","","","0.0563","0.0565","","","","","","1.082","","","","has coordinates,has Fobs","215248","2020-10-21","18:00:00",""
"2242942","6.0052","0.0004","7.8206","0.0005","26.2985","0.0019","90","","90.303","0.005","90","","1235.07","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-6-[(2-Hydroxy-5-nitroanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","YK2122","Kansiz, Sevgi; Dege, Necmi; Aydin, Alev Sema; Ağar, Erbil; Matushko, Igor P.","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-6-[(2-hydroxy-5-nitroanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2019","75","6","812","815","10.1107/S205698901900673X","","","0.71073","MoKα","","0.0574","0.0413","","","0.1153","0.1212","","","","","","1.078","","","","has coordinates,has Fobs","215249","2020-10-21","18:00:00",""
"2242943","29.23","0.017","5.8","0.003","22.071","0.012","90","","107.248","0.017","90","","3574","3","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,3-diphenyl-6-(3-methylphenyl)fulvene","{3-[(3-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C25 H20 -","- C25 H20 -","- C200 H160 -","8","1","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0639","0.0477","","","0.1111","0.1219","","","","","","1.045","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242944","19.208","0.002","5.8774","0.0007","16.1884","0.0018","90","","107.71","0.001","90","","1740.9","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-diphenyl-6-(4-methylphenyl)fulvene","{3-[(4-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C25 H20 -","- C25 H20 -","- C100 H80 -","4","1","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0477","0.0397","","","0.0932","0.1003","","","","","","1.04","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242945","30.031","0.006","5.6147","0.0012","23.494","0.005","90","","90","","90","","3961.4","1.4","100","","100","","","","","","","","","2","P c a 21","P 2c -2ac","29","1,3-diphenyl-6-mesitylfulvene","{3-[(2,4,6-Trimethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C27 H24 -","- C27 H24 -","- C216 H192 -","8","2","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0567","0.043","","","0.0984","0.1083","","","","","","1.035","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242946","30.987","0.007","5.8273","0.0014","23.557","0.006","90","","96.192","0.003","90","","4228.9","1.8","100","2","100.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,3-diphenyl-6-(2,3,4,5,6-pentamethylphenyl)fulvene","{3-[(2,3,4,5,6-Pentamethylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene","","- C29 H28 -","- C29 H28 -","- C232 H224 -","8","1","HB7824","Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes","Acta Crystallographica Section E","2019","75","6","838","842","10.1107/S205698901900700X","","","0.71073","MoKα","","0.0769","0.0501","","","0.1182","0.1369","","","","","","1.032","","","","has coordinates,has Fobs","215394","2020-10-21","18:00:00",""
"2242947","9.5115","0.0007","18.7385","0.0019","10.0216","0.0008","90","","90","","90","","1786.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","MW2145","Yaman, Mavise; Dege, Necmi; Ayoob, Mzgin M.; Hussein, Awaz J.; Samad, Mohammed K.; Fritsky, Igor O.","Hirshfeld surface analysis and crystal structure of <i>N</i>-(2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2019","75","6","830","833","10.1107/S2056989019006972","","","0.71073","MoKα","","0.0807","0.0496","","","0.1306","0.1476","","","","","","1.048","","","","has coordinates,has Fobs","215395","2020-10-21","18:00:00",""
"2242948","8.575","0.002","10.746","0.003","9.798","0.003","90","","101.811","0.003","90","","883.7","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenylbutyramide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","YK2123","Rigin, Sergei; Armijo, Beatrice; Krivoshein, Arcadius V.; Fonari, Marina; Timofeeva, Tatiana","Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2-phenylbutyramide","Acta Crystallographica Section E","2019","75","6","826","829","10.1107/S2056989019007011","","","0.71073","MoKα","","0.0474","0.0398","","","0.1044","0.1097","","","","","","1.084","","","","has coordinates,has Fobs","215396","2020-10-21","18:00:00",""
"2242949","15.314","0.007","15.314","0.007","25.736","0.012","90","","90","","90","","6036","5","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","(<i>RS</i>)-7-Chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C256 H240 Cl16 N32 O48 -","16","","ZL2756","Narasimhamurthy, Kereyagalahally H.; Chandra; Sagar, Belakavadi K.; Rangappa, Kanchugarakoppal S.; Yathirajan, Hemmige S.; Glidewell, Christopher","The crystal structure of (<i>RS</i>)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one: two hydrogen bonds generate an elegant three-dimensional framework structure","Acta Crystallographica Section E","2019","75","6","843","847","10.1107/S2056989019007023","","","0.71073","MoKα","","0.1016","0.0485","","","0.1065","0.1282","","","","","","1.035","","","","has coordinates,has Fobs","215397","2020-10-21","18:00:00",""
"2242950","15.582","0.0005","20.0517","0.0007","23.3082","0.0008","90","","90","","90","","7282.5","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>'-Ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazine-1-ylidene]pentane-2,4-dione (1/1)","","- C35 H35 Cu N11 O10 -","- C35 H35 Cu N11 O10 -","- C280 H280 Cu8 N88 O80 -","8","1","YK2120","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","Crystal structure of (<i>N</i>,<i>N</i>'-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)","Acta Crystallographica Section E","2019","75","6","834","837","10.1107/S2056989019005838","","","0.71073","MoKα","","0.0875","0.0466","","","0.1116","0.1298","","","","","","0.955","","","","has coordinates,has Fobs","215398","2020-10-21","18:00:00",""
"2242951","9.442","0.0016","9.558","0.003","11.419","0.002","110.58","0.02","95.669","0.019","108.863","0.019","886.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C38 H36 N4 O12 -","2","1","DX2017","Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo","Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","Acta Crystallographica Section E","2019","75","6","880","887","10.1107/S205698901900728X","","x-ray","0.71073","MoKα","","0.2174","0.0932","","","0.1918","0.2363","","","","","","1.212","","","","has coordinates,has disorder,has Fobs","215526","2020-10-21","18:00:00",""
"2242952","10.263","0.002","9.086","0.0008","20.049","0.004","90","","111.577","0.016","90","","1738.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","","- C18 H16 N2 O7 -","- C18 H16 N2 O7 -","- C72 H64 N8 O28 -","4","1","DX2017","Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo","Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate","Acta Crystallographica Section E","2019","75","6","880","887","10.1107/S205698901900728X","","","0.71073","MoKα","","0.092","0.0519","","","0.1199","0.1385","","","","","","1.033","","","","has coordinates,has Fobs","215526","2020-10-21","18:00:00",""
"2242953","5.8493","0.0001","10.7773","0.0003","19.3201","0.0006","92.325","0.001","91.806","0.001","94.145","0.001","1213.02","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(4-<i>tert</i>-Butoxyphenyl)-3-(4-<i>n</i>-octyloxyphenyl)-4,5-\ dihydroisoxazole","","- C27 H37 N O3 -","- C27 H37 N O3 -","- C54 H74 N2 O6 -","2","1","","Sales, Eric S.; Bortoluzzi, Adailton J.; Merlo, Aloir A.","Crystal structure of 5-(4-<i>tert</i>-butoxyphenyl)-3-(4-<i>n</i>-octyloxyphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2019","75","6","896","899","10.1107/S2056989019007412","","","0.71073","MoKα","","0.0603","0.0493","","","0.1262","0.1398","","","","","","1.03","","","","has coordinates,has Fobs","215527","2020-10-21","18:00:00",""
"2242954","10.7486","0.0003","5.1925","0.0002","6.8302","0.0002","90","","99.063","0.001","90","","376.45","0.02","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pyruvic acid","2-Oxopropanoic acid","","- C3 H4 O3 -","- C3 H4 O3 -","- C12 H16 O12 -","4","1","HB7818","Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I.","Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid","Acta Crystallographica Section E","2019","75","6","858","862","10.1107/S2056989019007072","","","0.71073","MoKα","","0.0389","0.0313","","","0.0766","0.0815","","","","","","1.076","","","","has coordinates,has Fobs","215528","2020-10-21","18:00:00",""
"2242955","24.145","0.003","6.6523","0.0007","8.6201","0.0007","90","","95.169","0.004","90","","1378.9","0.3","90","0.2","90","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Zymonic acid","4-Hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid","","- C6 H6 O5 -","- C6 H6 O5 -","- C48 H48 O40 -","8","1","HB7818","Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I.","Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid","Acta Crystallographica Section E","2019","75","6","858","862","10.1107/S2056989019007072","","","0.71073","MoKα","","0.0431","0.0373","","","0.0947","0.0999","","","","","","1.093","","","","has coordinates,has Fobs","215528","2020-10-21","18:00:00",""
"2242956","9.4174","0.0019","9.97","0.002","15.877","0.003","90","","98.94","0.03","90","","1472.6","0.5","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7,8,15,16,17-Pentathiadispiro[5.2.5^9^.3^6^]heptadecane","","- C12 H20 S5 -","- C12 H20 S5 -","- C48 H80 S20 -","4","1","FY2136","Hofstetter, Robert; Elvers, Benedict J.; Potlitz, Felix; Link, Andreas; Schulzke, Carola","Crystal structure of 7,8,15,16,17-pentathiadispiro[5.2.5^9^.3^6^]heptadecane","Acta Crystallographica Section E","2019","75","6","888","891","10.1107/S2056989019007138","","","0.71073","MoKα","","0.0325","0.0278","","","0.0691","0.071","","","","","","1.065","","","","has coordinates,has Fobs","215529","2020-10-21","18:00:00",""
"2242957","11.7026","0.0003","14.6628","0.0004","12.7512","0.0003","90","","107.863","0.002","90","","2082.54","0.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-{[1,3-Phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","0.5","SU5484","Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy","Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","Acta Crystallographica Section E","2019","75","6","875","879","10.1107/S2056989019006662","","","0.71073","MoKα","","0.0899","0.0524","","","0.1507","0.1779","","","","","","1.05","","","","has coordinates,has Fobs","215530","2020-10-21","18:00:00",""
"2242958","12.6668","0.0005","7.747","0.0003","10.4244","0.0004","90","","102.126","0.002","90","","1000.12","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-{[(1,4-Phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","","- C24 H22 O6 -","- C24 H22 O6 -","- C48 H44 O12 -","2","0.5","SU5484","Iqbal, Saleem; Viswanathan, Vijayan; Velmurugan, Devadasan; Abiraman, Tamilselvan; Balasubramanian, Sengottuvelan; Gunasekaran, Krishnasamy","Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4'-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)","Acta Crystallographica Section E","2019","75","6","875","879","10.1107/S2056989019006662","","","0.71073","MoKα","","0.0792","0.0567","","","0.1778","0.1896","","","","","","1.14","","","","has coordinates,has Fobs","215530","2020-10-21","18:00:00",""
"2242959","16.1298","0.0017","7.8773","0.0008","13.5247","0.0014","90","","123.67","0.0012","90","","1430.2","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Buthylene glycol difuranoate","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","0.5","IS5514","Hoshide, Mitsutoshi; Masu, Hyuma; Sasanuma, Yuji","Crystal structure of butane-1,4-diyl bis(furan-2-carboxylate)","Acta Crystallographica Section E","2019","75","6","872","874","10.1107/S2056989019007175","","","0.71073","MoKα","","0.0542","0.0407","","","0.0887","0.0981","","","","","","1.033","","","","has coordinates,has Fobs","215531","2020-10-21","18:00:00",""
"2242960","13.936","0.003","15.501","0.003","15.988","0.003","90","","105.92","0.16","90","","3321","3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl α-<i>L</i>-rhamnopyranosyl-(1\ρightarrow2)-α-<i>L</i>-rhamnopyranoside monohydrate","","- C13 H26 O10 -","- C13 H26 O10 -","- C104 H208 O80 -","8","4","IS5512","Eriksson, Lars; Widmalm, Göran","Crystal structure of methyl α-<small>L</small>-rhamnopyranosyl-(1\ρightarrow 2)-α-<small>L</small>-rhamnopyranoside monohydrate","Acta Crystallographica Section E","2019","75","6","854","857","10.1107/S2056989019006935","","","1.54184","CuKα","","0.2689","0.0753","","","0.148","0.1733","","","","","","0.849","","","","has coordinates,has Fobs","215532","2020-10-21","18:00:00",""
"2242961","8.841","0.0011","10.3043","0.0012","11.361","0.0012","94.801","0.009","103.596","0.009","106.905","0.009","949.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C42 H38 Cl2 N4 O6 -","2","1","WM5505","El Kalai, Fouad; Baydere, Cemile; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate","Acta Crystallographica Section E","2019","75","6","892","895","10.1107/S2056989019007424","","","0.71073","MoKα","","0.0979","0.047","","","0.1105","0.1266","","","","","","0.91","","","","has coordinates,has Fobs","215533","2020-10-21","18:00:00",""
"2242962","8.3965","0.0013","8.9879","0.0014","12.0126","0.0016","101.73","0.005","100.818","0.005","112.463","0.005","784.2","0.2","200","2","200","","","","","","","","","4","P -1","-P 1","2","Bis(4-acetoxy-<i>N</i>,<i>N</i>-dimethyltryptammonium) fumarate","Bis{2-[4-(acetyloxy)-1<i>H</i>-indol-3-yl]ethan-1-aminium} but-2-enedioate","","- C32 H40 N4 O8 -","- C32 H40 N4 O8 -","- C32 H40 N4 O8 -","1","0.5","FF2159","Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(4-acetoxy-<i>N</i>,<i>N</i>-dimethyltryptammonium) fumarate: a new crystalline form of psilacetin, an alternative to psilocybin as a psilocin prodrug","Acta Crystallographica Section E","2019","75","6","900","902","10.1107/S2056989019007370","","","0.71073","MoKα","","0.0736","0.0452","","","0.0954","0.1095","","","","","","1.033","","","","has coordinates,has Fobs","215649","2020-10-21","18:00:00",""
"2242963","8.05","0.0002","4.9407","0.0001","24.9626","0.0007","90","","94.333","0.002","90","","989.99","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis[3-(methylsulfanyl)propyl]-1,8:4,5-naphthalenetetracarboxylic diimide","","- C22 H22 N2 O4 S2 -","- C22 H22 N2 O4 S2 -","- C44 H44 N4 O8 S4 -","2","0.5","","Park, Juhyeon; Lee, Seung Heon; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of <i>N</i>,<i>N</i>'-bis[3-(methylsulfanyl)propyl]-1,8:4,5-naphthalenetetracarboxylic diimide","Acta Crystallographica Section E","2019","75","6","934","938","10.1107/S2056989019007771","","","0.71073","MoKα","","0.0556","0.042","","","0.0948","0.1006","","","","","","1.048","","","","has coordinates,has Fobs","215650","2020-10-21","18:00:00",""
"2242964","8.642","0.0017","16.687","0.003","9.734","0.0019","90","","96.46","0.03","90","","1394.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,14-Diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dinitrate dihydrate","","- C22 H50 N6 O8 -","- C22 H50 N6 O8 -","- C44 H100 N12 O16 -","2","0.5","SJ5572","Moon, Dohyun; Jeon, Sunghwan; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dinitrate dihydrate from synchrotron X-ray data","Acta Crystallographica Section E","2019","75","6","921","924","10.1107/S2056989019007655","","","0.61","synchrotron","","0.0723","0.0624","","","0.2006","0.2109","","","","","","1.103","","","","has coordinates,has Fobs","215651","2020-10-21","18:00:00",""
"2242965","15.4185","0.0003","24.9658","0.0004","24.3053","0.0005","90","","90.039","0.002","90","","9356","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2^10^,2^20^-Bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate","","- C53 H36 Cl6 N4 Ni O4 -","- C53 H36 Cl6 N4 Ni O4 -","- C424 H288 Cl48 N32 Ni8 O32 -","8","2","WM5502","Peters, Morten K.; Näther, Christian; Herges, Rainer","Crystal structure of 2^10^,2^20^-bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate","Acta Crystallographica Section E","2019","75","6","925","929","10.1107/S2056989019007527","","","0.71073","MoKα","","0.048","0.0404","","","0.1023","0.1062","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","215652","2020-10-21","18:00:00",""
"2242966","9.061","0.0006","20.9844","0.0011","11.2527","0.0009","90","","90.526","0.009","90","","2139.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","","- C50 H36 Fe N6 O4 S2 -","- C50 H36 Fe N6 O4 S2 -","- C100 H72 Fe2 N12 O8 S4 -","2","0.5","LH5906","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2019","75","6","917","920","10.1107/S2056989019007679","","","0.71073","MoKα","","0.053","0.0437","","","0.1069","0.1129","","","","","","1.039","","","","has coordinates,has Fobs","215653","2020-10-21","18:00:00",""
"2242967","14.2634","0.0007","16.0124","0.0007","13.7732","0.0006","90","","117.748","0.002","90","","2783.9","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C112 H112 Cl8 N8 O24 -","8","1","MW2143","Bouzian, Younos; Karrouchi, Khalid; Anouar, El Hassane; Bouhfid, Rachid; Arshad, Suhana; Essassi, El Mokhtar","Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate","Acta Crystallographica Section E","2019","75","6","912","916","10.1107/S2056989019007473","","","0.71073","MoKα","","0.0816","0.0578","","","0.1581","0.2031","","","","","","1.1","","","","has coordinates,has Fobs","215654","2020-10-21","18:00:00",""
"2242968","8.3344","0.0003","10.5937","0.0004","21.1228","0.0008","90","","90","","90","","1864.98","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","XI2014","McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim; Wickramasinhage, Ravindra N.","Structure and Hirshfeld surface analysis of the salt <i>N</i>,<i>N</i>,<i>N</i>-trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate","Acta Crystallographica Section E","2019","75","7","946","950","10.1107/S2056989019007758","","","1.54184","CuKα","","0.0477","0.0396","","","0.0957","0.1028","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","215709","2020-10-21","18:00:00",""
"2242969","14.9088","0.0013","5.7669","0.0005","17.9074","0.0015","90","","104.491","0.002","90","","1490.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(4-Chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H14 Cl F O3 -","- C17 H14 Cl F O3 -","- C68 H56 Cl4 F4 O12 -","4","1","IS5515","Çelikesir, Sevim Türktekin; Sheshadri, S. N.; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(4-chloro-3-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","7","942","945","10.1107/S2056989019007783","","","0.71073","MoKα","","0.0642","0.0466","","","0.1286","0.1429","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","215711","2020-10-21","18:00:00",""
"2242970","11.0808","0.0005","9.0251","0.0005","22.8157","0.001","90","","90","","90","","2281.69","0.19","294","0.2","294","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C13 H10 O2 S -","- C13 H10 O2 S -","- C104 H80 O16 S8 -","8","1","LH5905","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.0632","0.0487","","","0.1236","0.1338","","","","","","1.047","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242971","16.4118","0.0013","5.8387","0.0005","12.6456","0.0009","90","","97.279","0.007","90","","1201.98","0.17","294.07","0.1","294.07","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.067","0.0455","","","0.1015","0.1175","","","","","","1.039","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242972","16.512","0.0008","7.7851","0.0005","10.4913","0.0005","90","","96.813","0.004","90","","1339.11","0.13","294","0.2","294","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Ethoxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.0598","0.0473","","","0.1285","0.1412","","","","","","1.051","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242973","14.1245","0.0007","14.2016","0.0013","5.8809","0.0004","90","","98.081","0.006","90","","1167.94","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C52 H36 Br4 O4 S4 -","4","1","","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.068","0.0429","","","0.093","0.107","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","215712","2020-10-21","18:00:00",""
"2242974","10.144","0.003","7.952","0.002","10.928","0.003","90","","97.104","0.012","90","","874.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-Diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C42 H32 N4 O4 -","2","1","LH5908","Ghandour, Ismail; Bouayad, Abdelouahed; Hökelek, Tuncer; Haoudi, Amal; Capet, Frédéric; Renard, Catherine; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione","Acta Crystallographica Section E","2019","75","7","951","956","10.1107/S2056989019007801","","","0.71073","MoKα","","0.0414","0.0352","","","0.0863","0.0901","","","","","","1.029","","","","has coordinates,has Fobs","215713","2020-10-21","18:00:00",""
"2242975","6.2114","0.0004","19.4553","0.0011","11.252","0.0007","90","","91.883","0.002","90","","1359.01","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Akhramez, Soufiane; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; El Ammari, Lahcen; Ketatni, El Mostafa","Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[(<i>E</i>)-(2-phenylhydrazinylidene)methyl]quinoline","Acta Crystallographica Section E","2019","75","7","964","968","10.1107/S2056989019007692","","","0.71073","MoKα","","0.0344","0.0293","","","0.0698","0.0719","","","","","","1.035","","","","has coordinates,has Fobs","215741","2020-10-21","18:00:00",""
"2242976","6.2525","0.0008","7.797","0.001","10.281","0.0013","90","","104.744","0.002","90","","484.7","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Pirfenidone","5-Methyl-1-phenylpyridin-2(1<i>H</i>)-one","","- C12 H11 N O -","- C12 H11 N O -","- C24 H22 N2 O2 -","2","1","","Barbero, Mauro; Mossotti, Matteo; Sironi, Angelo; Giovenzana, Giovanni Battista; Colombo, Valentina","Crystal structure of pirfenidone (5-methyl-1-phenyl-1<i>H</i>-pyridin-2-one): an active pharmaceutical ingredient (API)","Acta Crystallographica Section E","2019","75","7","984","986","10.1107/S2056989019006418","","","0.71073","MoKα","","0.0446","0.037","","","0.0902","0.0954","","","","","","1.043","","","","has coordinates","215868","2020-10-21","18:00:00",""
"2242977","8.5134","0.0004","23.7812","0.0009","8.9028","0.0004","90","","101.401","0.004","90","","1766.88","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-\ tartrato(4-)]dicopper(II) octahydrate","Aqua-1κ<i>O</i>-bis(4,4'-dimethoxy-2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-[μ-(2<i>R</i>,3<i>R</i>)-2,3-dioxidosuccinato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicopper(II) octahydrate","","- C28 H44 Cu2 N4 O19 -","- C28 H44 Cu2 N4 O19 -","- C56 H88 Cu4 N8 O38 -","2","1","ZQ2247","Wiedemann, Dennis; Kulko, Roman-David; Grohmann, Andreas","Synthesis, characterization, and crystal structure of aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-tartrato(4{-})]dicopper(II) octahydrate","Acta Crystallographica Section E","2019","75","7","972","975","10.1107/S2056989019008053","","x-ray","0.71073","MoKα","","0.0309","0.028","","","0.0705","0.0718","","","","","","1.036","","","","has coordinates,has Fobs","215869","2020-10-21","18:00:00",""
"2242978","5.6101","0.0004","19.5523","0.0011","17.2761","0.0011","90","","96.969","0.005","90","","1881","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","enzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Bouzian, Younos; Faizi, Md. Serajul Haque; Mague, Joel T.; Otmani, Bouchaib El; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar","Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2019","75","7","980","983","10.1107/S2056989019007989","","","0.71073","MoKα","","0.0759","0.041","","","0.1034","0.1145","","","","","","0.954","","","","has coordinates,has Fobs","215870","2020-10-21","18:00:00",""
"2242979","13.0352","0.0002","14.1348","0.0004","17.0471","0.0004","90","","90.217","0.002","90","","3140.9","0.13","173","2","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{[(3-{[2-(Diphenylphosphinoyl)ethanamido]methyl}benzyl)carbamoyl]methyl}diphenylphosphine oxide","","- C36 H34 N2 O4 P2 -","- C36 H34 N2 O4 P2 -","- C144 H136 N8 O16 P8 -","4","0.5","PK2617","VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds","Acta Crystallographica Section E","2019","75","7","991","996","10.1107/S205698901900820X","","","1.54178","CuKα","","0.0508","0.0412","","","0.1098","0.1166","","","","","","1.026","","","","has coordinates,has Fobs","216005","2020-10-21","18:00:00",""
"2242980","8.9401","0.0001","15.0535","0.0002","15.7314","0.0003","90","","90","","90","","2117.13","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl [({2-[2-(diethoxyphosphinoyl)ethanamido]ethyl}carbamoyl)methyl]phosphonate","","- C14 H30 N2 O8 P2 -","- C14 H30 N2 O8 P2 -","- C56 H120 N8 O32 P8 -","4","0.5","PK2617","VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds","Acta Crystallographica Section E","2019","75","7","991","996","10.1107/S205698901900820X","","","1.54178","CuKα","","0.0391","0.0349","","","0.0901","0.0931","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216005","2020-10-21","18:00:00",""
"2242981","14.3173","0.0011","13.0633","0.0009","14.545","0.0011","90","","110.264","0.006","90","","2552","0.3","293","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-[(2-Hydroxy-5-methoxybenzylidene)amino]benzonitrile","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","2","LH5907","Faizi, Md. Serajul Haque; Dege, Necmi; Çiçek, Ceren; Agar, Erbil; Fritsky, Igor O.","Crystal structure, DFT and MEP study of (<i>E</i>)-2-[(2-hydroxy-5-methoxybenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2019","75","7","987","990","10.1107/S2056989019008077","","","0.71073","MoKα","","0.1342","0.0429","","","0.0841","0.1064","","","","","","0.803","","","","has coordinates,has Fobs","216006","2020-10-21","18:00:00",""
"2242982","14.194","0.004","12.314","0.004","16.249","0.005","90","","92.701","0.004","90","","2836.9","1.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-κ^2^<i>N</i>,<i>P</i>]rhenium(I) chloroform disolvate, [ReBr(C~17~H~14~NP)(CO)~3~]\χdot2CHCl~3~","","- C22 H16 Br Cl6 N O3 P Re -","- C22 H16 Br Cl6 N O3 P Re -","- C88 H64 Br4 Cl24 N4 O12 P4 Re4 -","4","1","","Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés","Crystal structures and Hirshfeld surface analysis of [κ^2^-<i>P</i>,<i>N</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [<i>P</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br]","Acta Crystallographica Section E","2019","75","7","1005","1010","10.1107/S2056989019008089","","","0.71073","MoKα","","0.0369","0.0263","","","0.0595","0.0647","","","","","","0.989","","","","has coordinates,has Fobs","216491","2020-10-21","18:00:00",""
"2242983","9.1384","0.0017","9.8348","0.0018","15.671","0.003","82.956","0.002","82.047","0.002","69.765","0.002","1304.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-κ<i>P</i>](piperidine-κ<i>N</i>)rhenium(I)","","- C25 H25 Br N2 O3 P Re -","- C25 H25 Br N2 O3 P Re -","- C50 H50 Br2 N4 O6 P2 Re2 -","2","1","","Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés","Crystal structures and Hirshfeld surface analysis of [κ^2^-<i>P</i>,<i>N</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [<i>P</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br]","Acta Crystallographica Section E","2019","75","7","1005","1010","10.1107/S2056989019008089","","","0.71073","MoKα","","0.0501","0.0416","","","0.0793","0.082","","","","","","1.112","","","","has coordinates,has Fobs","216491","2020-10-21","18:00:00",""
"2242984","8.0785","0.0002","12.423","0.0003","13.0772","0.0003","90","","90.551","0.001","90","","1312.36","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chlorophenylcarbamothioyl)-4-fluorobenzamide","","- C14 H10 Cl F N2 O S -","- C14 H10 Cl F N2 O S -","- C56 H40 Cl4 F4 N8 O4 S4 -","4","1","HB7804","Akhter, Sidra; Choudhary, Muhammad Iqbal; Siddiqui, Hina; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2-chlorophenylcarbamothioyl)-4-fluorobenzamide and <i>N</i>-(4-bromophenylcarbamothioyl)-4-fluorobenzamide","Acta Crystallographica Section E","2019","75","7","1026","1029","10.1107/S2056989019008569","","","1.54178","CuKα","","0.0265","0.0254","","","0.0681","0.0689","","","","","","1.05","","","","has coordinates,has Fobs","216492","2020-10-21","18:00:00",""
"2242985","3.8733","0.0002","13.0776","0.0005","13.2628","0.0006","98.817","0.001","94.714","0.001","94.727","0.001","658.54","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>-(4-Bromophenylcarbamothioyl)-4-fluorobenzamide","","- C14 H10 Br F N2 O S -","- C14 H10 Br F N2 O S -","- C28 H20 Br2 F2 N4 O2 S2 -","2","1","HB7804","Akhter, Sidra; Choudhary, Muhammad Iqbal; Siddiqui, Hina; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2-chlorophenylcarbamothioyl)-4-fluorobenzamide and <i>N</i>-(4-bromophenylcarbamothioyl)-4-fluorobenzamide","Acta Crystallographica Section E","2019","75","7","1026","1029","10.1107/S2056989019008569","","","1.54178","CuKα","","0.0252","0.0252","","","0.1095","0.1096","","","","","","1.098","","","","has coordinates,has Fobs","216492","2020-10-21","18:00:00",""
"2242986","8.5395","0.0007","20.7595","0.0015","8.6686","0.0006","90","","108.908","0.003","90","","1453.81","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]\ dithiocyanatonickel(II)","","- C26 H20 N10 Ni O4 S2 -","- C26 H20 N10 Ni O4 S2 -","- C52 H40 N20 Ni2 O8 S4 -","2","0.5","RZ5259","Rhoufal, Ferdaousse; Bentiss, Fouad; Guesmi, Salaheddine; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of <i>trans</i>-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II)","Acta Crystallographica Section E","2019","75","7","1046","1050","10.1107/S2056989019008727","","","0.71073","MoKα","","0.0733","0.0454","","","0.1119","0.1232","","","","","","1.051","","","","has coordinates,has Fobs","216493","2020-10-21","18:00:00",""
"2242987","16.9915","0.0006","9.3183","0.0003","22.0129","0.0007","90","","90","","90","","3485.3","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4-Triphenylcyclopentane-1,2-diol","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone","Acta Crystallographica Section E","2019","75","7","1035","1040","10.1107/S2056989019008673","","","0.71073","MoKα","","0.0636","0.0546","","","0.1307","0.1363","","","","","","1.11","","","","has coordinates,has Fobs","216494","2020-10-21","18:00:00",""
"2242988","11.4136","0.0006","14.0145","0.0007","19.0339","0.001","92.3394","0.0018","101.546","0.0017","105.013","0.0019","2867.3","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","4-(2-Methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-Methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol","","- C24 H24 O3 -","- C24 H24 O3 -","- C144 H144 O18 -","6","3","","Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone","Acta Crystallographica Section E","2019","75","7","1035","1040","10.1107/S2056989019008673","","","0.71073","MoKα","","0.0781","0.0511","","","0.1221","0.1355","","","","","","1.039","","","","has coordinates,has Fobs","216494","2020-10-21","18:00:00",""
"2242989","5.0575","0.0003","10.0973","0.0007","38.608","0.002","86.237","0.005","86.675","0.005","88.354","0.005","1963.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2<i>H</i>)-one","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C100 H76 F4 N8 O8 -","4","2","","Daoui, Said; Faizi, Md. Serajul Haque; Kalai, Fouad El; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and the DFT and MEP study of 4-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2019","75","7","1030","1034","10.1107/S2056989019008557","","","0.71073","MoKα","","0.0612","0.0379","","","0.1008","0.1083","","","","","","0.992","","","","has coordinates,has Fobs","216495","2020-10-21","18:00:00",""
"2242990","7.2625","0.0003","17.8132","0.0007","21.1511","0.0009","90","","92.159","0.003","90","","2734.34","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Diaqua(3-benzyl-1,3,5,8,12-pentaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^)copper(II) isophthalate monohydrate","","- C24 H39 Cu N5 O7 -","- C24 H39 Cu N5 O7 -","- C96 H156 Cu4 N20 O28 -","4","1","HB7828","Andriichuk, Irina L.; Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","Crystal structures of <i>trans</i>-diaqua(3-<i>R</i>-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (<i>R</i> = benzyl or pyridin-3-ylmethyl)","Acta Crystallographica Section E","2019","75","7","1015","1019","10.1107/S2056989019008387","","","0.71073","MoKα","","0.0536","0.0322","","","0.074","0.0843","","","","","","1.016","","","","has coordinates,has Fobs","216496","2020-10-21","18:00:00",""
"2242991","7.1955","0.0003","19.0463","0.0008","19.4426","0.0008","90","","94.276","0.002","90","","2657.15","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaqua[3-(pyridin-3-ylmethyl)-1,3,5,8,12-pentaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^]copper(II) isophthalate 0.9-hydrate","","- C23 H37.8 Cu N6 O6.9 -","- C23 H37.8 Cu N6 O6.9 -","- C92 H151.2 Cu4 N24 O27.6 -","4","1","HB7828","Andriichuk, Irina L.; Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","Crystal structures of <i>trans</i>-diaqua(3-<i>R</i>-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (<i>R</i> = benzyl or pyridin-3-ylmethyl)","Acta Crystallographica Section E","2019","75","7","1015","1019","10.1107/S2056989019008387","","","0.71073","MoKα","","0.0872","0.0399","","","0.0789","0.0968","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","216496","2020-10-21","18:00:00",""
"2242992","16.5325","0.0002","17.5842","0.0002","19.8873","0.0002","90","","90.653","0.001","90","","5781.08","0.11","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis(2-methyl-1<i>H</i>-imidazol-3-ium) heptamolybdate 2-methyl-1<i>H</i>-imidazole disolvate dihydrate","","- C32 H58 Mo7 N16 O26 -","- C32 H58 Mo7 N16 O26 -","- C128 H232 Mo28 N64 O104 -","4","1","HB7831","Sarr, Bougar; Mbaye, Abdou; Diallo, Wally; Diop, Cheikh Abdoul Khadir; Sidibe, Mamadou; Michaud, Francois","Synthesis and crystal structure of a new hybrid organic‒inorganic material containing neutral molecules, cations and heptamolybdate anions","Acta Crystallographica Section E","2019","75","7","1001","1004","10.1107/S2056989019008454","","x-ray","0.71073","MoKα","","0.0679","0.0461","","","0.104","0.1202","","","","","","1.146","","","","has coordinates,has Fobs","216497","2020-10-21","18:00:00",""
"2242993","8.7512","0.0005","9.1357","0.0006","11.2803","0.0007","85.524","0.005","72.769","0.005","86.926","0.005","858.3","0.09","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[chloridoaluminate(III)]-tri-μ-chlorido-4':1κ^2^<i>Cl</i>,1:2κ^4^<i>Cl</i>-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ^4^<i>Cl</i>-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ^4^<i>Cl</i>-[chloridoaluminate(III)]-μ-chlorido-4:1'κ^2^<i>Cl</i>]","","- C20 H28 Al2 Cl10 Sn2 -","- C20 H28 Al2 Cl10 Sn2 -","- C20 H28 Al2 Cl10 Sn2 -","1","0.5","WM5510","Merkelbach, Johannes; Frank, Walter","Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][<i>M</i>Cl~4~]~2~ (<i>M</i> = Al and Ga)","Acta Crystallographica Section E","2019","75","7","1051","1056","10.1107/S2056989019008508","","","0.71073","MoKα","","0.0312","0.0276","","","0.0563","0.0575","","","","","","1.243","","","","has coordinates,has Fobs","216560","2020-10-21","18:00:00",""
"2242994","8.7572","0.0004","9.131","0.0004","11.2966","0.0005","85.424","0.003","72.805","0.003","86.886","0.004","859.73","0.07","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[chloridogallate(III)]-tri-μ-chlorido-4':1κ^2^<i>Cl</i>,1:2κ^4^<i>Cl</i>-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ^4^<i>Cl</i>-[(η^6^-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ^4^<i>Cl</i>-[chloridogallate(III)]-μ-chlorido-4:1'κ^2^<i>Cl</i>]","","- C20 H28 Cl10 Ga2 Sn2 -","- C20 H28 Cl10 Ga2 Sn2 -","- C20 H28 Cl10 Ga2 Sn2 -","1","0.5","WM5510","Merkelbach, Johannes; Frank, Walter","Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH~3~)~4~C~6~H~2~}~2~Sn~2~Cl~2~][<i>M</i>Cl~4~]~2~ (<i>M</i> = Al and Ga)","Acta Crystallographica Section E","2019","75","7","1051","1056","10.1107/S2056989019008508","","","0.71073","MoKα","","0.0393","0.0333","","","0.0666","0.0685","","","","","","1.224","","","","has coordinates,has Fobs","216560","2020-10-21","18:00:00",""
"2242995","10.7799","0.0011","10.9481","0.0011","14.1895","0.0015","74.526","0.002","68.246","0.001","80.207","0.002","1494.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-Cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-\ carbothioamide","","- C15 H21 N3 O S -","- C15 H21 N3 O S -","- C60 H84 N12 O4 S4 -","4","2","","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","Crystal structure of (<i>E</i>)-<i>N</i>-cyclohexyl-2-(2-hydroxy-3-methylbenzylidene)hydrazine-1-carbothioamide","Acta Crystallographica Section E","2019","75","7","1065","1068","10.1107/S2056989019008946","","","0.71073","MoKα","","0.0791","0.0486","","","0.1054","0.1191","","","","","","1.035","","","","has coordinates,has Fobs","216641","2020-10-21","18:00:00",""
"2242996","15.5072","0.0006","12.3504","0.0005","16.3017","0.0005","90","","114.868","0.001","90","","2832.62","0.18","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]","","- C31 H30 N2 O6 S2 -","- C31 H30 N2 O6 S2 -","- C124 H120 N8 O24 S8 -","4","0.5","SJ5573","Duangthongyou, Tanwawan; Rattanakam, Ramida; Chainok, Kittipong; Suramitr, Songwut; Tuntulani, Thawatchai; Wannalerse, Boontana","5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]: crystal structure and DFT calculations","Acta Crystallographica Section E","2019","75","7","1079","1083","10.1107/S2056989019009058","","","0.71073","MoKα","","0.044","0.0368","","","0.1007","0.1059","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","216642","2020-10-21","18:00:00",""
"2242997","7.2678","0.0002","26.5667","0.0007","11.359","0.0003","90","","90.498","0.003","90","","2193.13","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,9-Dimethyl-5<i>H</i>-pyrano[3,2-<i>c</i>:5,6-<i>c</i>']bis[2,1-benzothiazin]-7(9<i>H</i>)-one 6,6,8,8-tetroxide dimethylformamide monosolvate","","- C22 H21 N3 O7 S2 -","- C22 H21 N3 O7 S2 -","- C88 H84 N12 O28 S8 -","4","1","WM5508","Rybalka, Andrii; Shishkina, Svitlana; Ukrainets, Igor; Sidorenko, Lyudmila; Sim, Galina","Molecular and crystal structure of 5,9-dimethyl-5<i>H</i>-pyrano[3,2-<i>c</i>:5,6-<i>c</i>']bis[2,1-benzothiazin]-7(9<i>H</i>)-one 6,6,8,8-tetroxide dimethylformamide monosolvate","Acta Crystallographica Section E","2019","75","7","1076","1078","10.1107/S2056989019008788","","","0.71073","MoKα","","0.0495","0.04","","","0.1062","0.1106","","","","","","1.058","","","","has coordinates,has Fobs","216643","2020-10-21","18:00:00",""
"2242998","5.8052","0.0003","11.954","0.0006","9.6135","0.0005","90","","95.506","0.001","90","","664.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>D</i>-Fructose-cycloleucine","1-[(1-Deoxy-β-<i>D</i>-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate","","- C12 H21 N O7 -","- C12 H21 N O7 -","- C24 H42 N2 O14 -","2","1","EB2020","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Multicentered hydrogen bonding in 1-[(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate (`<small>D</small>-fructose-cycloleucine')","Acta Crystallographica Section E","2019","75","8","1096","1101","10.1107/S2056989019009253","","","0.71073","MoKα","","0.0318","0.0293","","","0.0709","0.0729","","","","","","1.03","","","","has coordinates,has Fobs","216702","2020-10-21","18:00:00",""
"2242999","13.082","0.0008","8.0287","0.0004","24.0442","0.0012","90","","90","","90","","2525.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[1-(4-Hydroxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","RZ5260","Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc","Crystal structure of two <i>N</i>'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides","Acta Crystallographica Section E","2019","75","8","1090","1095","10.1107/S2056989019008892","","x-ray","0.71073","MoKα","","0.0731","0.0456","","","0.0944","0.1087","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","216706","2020-10-21","18:00:00",""
"2243000","6.5185","0.0002","9.7447","0.0005","10.9291","0.0006","78.327","0.004","83.07","0.004","87.013","0.004","674.63","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[1-(4-Methoxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","","Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc","Crystal structure of two <i>N</i>'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides","Acta Crystallographica Section E","2019","75","8","1090","1095","10.1107/S2056989019008892","","x-ray","0.71073","MoKα","","0.0624","0.0512","","","0.1367","0.1453","","","","","","1.059","","","","has coordinates,has Fobs","216706","2020-10-21","18:00:00",""
"2243001","20.345","0.003","12.439","0.003","19.575","0.004","90","","112.8","0.009","90","","4566.8","1.6","162","2","162","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate","","- C48 H38 N14 Ni O4 -","- C48 H38 N14 Ni O4 -","- C192 H152 N56 Ni4 O16 -","4","0.5","MW2141","Chi-Duran, Ignacio; Setifi, Zouaoui; Setifi, Fatima; Jelsch, Christian; Morgenstern, Bernd; Vega, Andres; Herrera, Felipe; Pratap Singh, Dinesh; Hegetschweiler, Kaspar; Boyaala, Rabab","Crystal structure and Hirshfeld surface analysis of tris(2,2'-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate","Acta Crystallographica Section E","2019","75","6","867","871","10.1107/S2056989019006959","","","0.71073","MoKα","","0.1506","0.0612","","","0.0999","0.1251","","","","","","1.002","","","","has coordinates,has Fobs","216921","2020-10-21","18:00:00",""
"2243002","5.4199","0.0005","10.3293","0.0009","17.4076","0.0015","90","","90","","90","","974.54","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","E27_Corley","2,3,5,6-Tetrafluoro-4-phenoxypyridine","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C44 H20 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0296","0.0284","","","0.0717","0.073","","","","","","1.05","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243003","13.353","0.0005","5.8584","0.0002","14.8863","0.0006","90","","113.585","0.002","90","","1067.24","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenoxy)-2,3,5,6-tetrafluoropyridine","","- C11 H4 Br F4 N O -","- C11 H4 Br F4 N O -","- C44 H16 Br4 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0385","0.0305","","","0.0794","0.0825","","","","","","1.064","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243004","5.4703","0.0005","9.2548","0.0009","24.109","0.002","90","","90","","90","","1220.56","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,5,6-Tetrafluoro-4-[(naphthalen-2-yl)oxy]pyridine","","- C15 H7 F4 N O -","- C15 H7 F4 N O -","- C60 H28 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0327","0.0306","","","0.0756","0.0775","","","","","","1.07","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243005","6.0135","0.0003","7.4994","0.0004","14.6318","0.0007","90","","101.401","0.002","90","","646.84","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(6-Bromonaphthalen-2-yl)oxy]-2,3,5,6-tetrafluoropyridine","","- C15 H6 Br F4 N O -","- C15 H6 Br F4 N O -","- C30 H12 Br2 F8 N2 O2 -","2","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0342","0.0305","","","0.0568","0.0575","","","","","","1.143","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243006","18.8516","0.0006","10.6512","0.0003","9.2196","0.0003","90","","90","","90","","1851.22","0.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2'-Bis[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]-1,1'-biphenyl","","- C22 H8 F8 N2 O2 -","- C22 H8 F8 N2 O2 -","- C88 H32 F32 N8 O8 -","4","0.5","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0406","0.0357","","","0.0928","0.0983","","","","","","1.06","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243007","9.1652","0.0003","16.9764","0.0006","10.9687","0.0004","90","","91.156","0.001","90","","1706.3","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Amino-6-methyl-3,4-diphenyl-1<i>H</i>-isochromen-1-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","SU5498","Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V.","Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1<i>H</i>-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section E","2019","75","8","1117","1122","10.1107/S2056989019009435","","","0.71073","MoKα","","0.0585","0.0395","","","0.1044","0.118","","","","","","1.032","","","","has coordinates,has Fobs","216957","2020-10-21","18:00:00",""
"2243008","10.4844","0.0008","26.562","0.002","9.3651","0.0006","90","","105.367","0.003","90","","2514.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Amino-3,4-diethyl-6-methyl-1<i>H</i>-isochromen-1-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","SU5498","Syed Abuthahir, S.; NizamMohideen, M.; Mayakrishnan, S.; Uma Maheswari, N.; Viswanathan, V.","Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1<i>H</i>-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section E","2019","75","8","1117","1122","10.1107/S2056989019009435","","","0.71073","MoKα","","0.1075","0.0536","","","0.1342","0.1683","","","","","","1.007","","","","has coordinates,has Fobs","216957","2020-10-21","18:00:00",""
"2243009","17.635","0.005","7.817","0.002","16.718","0.004","90","","110.639","0.009","90","","2156.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Methylamino)tropone","2-(Methylamino)cyclohepta-2,4,6-trien-1-one","","- C8 H9 N O -","- C8 H9 N O -","- C96 H108 N12 O12 -","12","3","PK2619","Jansen van Vuuren, Leandri; Visser, Hendrik G.; Schutte-Smith, Marietjie","Crystal structure of 2-(methylamino)tropone","Acta Crystallographica Section E","2019","75","8","1128","1132","10.1107/S2056989019009502","","","0.71073","MoKα","","0.0681","0.0394","","","","0.1036","","","","","","1.026","","","","has coordinates","216958","2020-10-21","18:00:00",""
"2243010","23.1461","0.0012","8.2631","0.0004","14.6374","0.0008","90","","97.687","0.004","90","","2774.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Oxo-2<i>H</i>-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate","","- C13 H14 O6 S -","- C13 H14 O6 S -","- C104 H112 O48 S8 -","8","2","VM2218","Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Govindhan, M.; Subramanian, K.","Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2<i>H</i>-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2019","75","8","1123","1127","10.1107/S2056989019009447","","","0.71073","MoKα","","0.1977","0.0626","","","0.1506","0.2079","","","","","","0.874","","","","has coordinates,has disorder,has Fobs","216959","2020-10-21","18:00:00",""
"2243011","18.5306","0.0013","10.4541","0.0003","14.2522","0.0009","90","","107.509","0.007","90","","2633","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)]","","- C24 H20 Au2 Fe N8 O2 -","- C24 H20 Au2 Fe N8 O2 -","- C96 H80 Au8 Fe4 N32 O8 -","4","0.5","","Kucheriv, Olesia I.; Barakhtii, Diana D.; Malinkin, Sergey O.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of <i>catena</i>-poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)]","Acta Crystallographica Section E","2019","75","8","1149","1152","10.1107/S2056989019009678","","x-ray","0.71073","MoKα","","0.0598","0.0381","","","0.075","0.0839","","","","","","1.044","","","","has coordinates,has Fobs","217005","2020-10-21","18:00:00",""
"2243012","7.0347","0.0015","10.256","0.002","18.129","0.004","78.844","0.01","80.165","0.01","87.242","0.01","1264.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(Perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","","","- C14 H8 F4 N2 O2 -","- C14 H8 F4 N2 O2 -","- C56 H32 F16 N8 O8 -","4","2","HB7832","Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T.","Syntheses, crystal structures and Hirshfeld surface analyses of (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","Acta Crystallographica Section E","2019","75","8","1153","1157","10.1107/S2056989019009769","","","0.71073","MoKα","","0.0553","0.0447","","","0.116","0.1259","","","","","","1.023","","","","has coordinates,has Fobs","217006","2020-10-21","18:00:00",""
"2243013","12.285","0.006","5.945","0.003","17.888","0.008","90","","93.44","0.03","90","","1304.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(Perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","","","- C14 H8 F4 N2 O3 -","- C14 H8 F4 N2 O3 -","- C56 H32 F16 N8 O12 -","4","1","HB7832","Peloquin, Andrew J.; Balaich, Gary J.; Iacono, Scott T.","Syntheses, crystal structures and Hirshfeld surface analyses of (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-(perfluoropyridin-4-yl)-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione and (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-[(perfluoropyridin-4-yl)oxy]-3a,4,7,7a-tetrahydro-4,7-methanoisoindole-1,3-dione","Acta Crystallographica Section E","2019","75","8","1153","1157","10.1107/S2056989019009769","","","0.71073","MoKα","","0.0419","0.0381","","","0.1012","0.1052","","","","","","1.037","","","","has coordinates,has Fobs","217006","2020-10-21","18:00:00",""
"2243014","8.8417","0.0003","11.3252","0.0003","25.7003","0.0008","90","","90","","90","","2573.47","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(pyridin-2-yl)-4-{[(3a<i>S</i>,5<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-tetramethyltetrahydro-5<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)methoxy]methyl}pyridazine monohydrate","","- C27 H32 N4 O7 -","- C27 H32 N4 O7 -","- C108 H128 N16 O28 -","4","1","LH5910","Filali, Mouad; Elmsellem, Hicham; Hökelek, Tuncer; El-Ghayoury, Abdelkrim; Stetsiuk, Oleh; El Hadrami, El Mestafa; Ben-Tama, Abdessalam","Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis(pyridin-2-yl)-4-{[(3a<i>S</i>,5<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-tetramethyltetrahydro-5<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)methoxy]methyl}pyridazine monohydrate","Acta Crystallographica Section E","2019","75","8","1169","1174","10.1107/S2056989019009848","","","1.54184","CuKα","","0.0527","0.0475","","","0.1144","0.1207","","","","","","1.103","","","","has coordinates,has Fobs","217007","2020-10-21","18:00:00",""
"2243015","8.3146","0.0005","8.9424","0.0005","12.2388","0.0006","80.988","0.002","76.458","0.002","70.027","0.002","828.54","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-3-[(4-Chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","","- C16 H15 Br Cl N3 S -","- C16 H15 Br Cl N3 S -","- C32 H30 Br2 Cl2 N6 S2 -","2","1","FF2160","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2019","75","8","1175","1179","10.1107/S2056989019009885","","","0.71073","MoKα","","0.0387","0.0315","","","0.0723","0.0749","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","217008","2020-10-21","18:00:00",""
"2243016","16.2512","0.0004","7.6859","0.0002","13.0989","0.0003","90","","106.64","0.001","90","","1567.6","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Nonyl-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","VM2219","Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1<i>H</i>-indole-2,3-dione","Acta Crystallographica Section E","2019","75","8","1140","1144","10.1107/S2056989019009691","","","1.54178","CuKα","","0.0377","0.0351","","","0.0935","0.096","","","","","","1.046","","","","has coordinates,has Fobs","217009","2020-10-21","18:00:00",""
"2243017","14.0919","0.0003","22.0127","0.0004","17.9648","0.0003","90","","93.95","0.001","90","","5559.46","0.18","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Scr-S-Hair-Clip-Porphyrin","(15,20-Bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane hemisolvate","","- C63.5 H32 Cl F10 N5 Ni S2 -","- C63.5 H32 Cl F10 N5 Ni S2 -","- C254 H128 Cl4 F40 N20 Ni4 S8 -","4","1","LH5902","Gutzeit, Florian; Näther, Christian; Herges, Rainer","Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane <i>x</i>-solvate (<i>x</i> > 1/2) showing a rare CN5 coordination","Acta Crystallographica Section E","2019","75","8","1180","1184","10.1107/S2056989019009836","","","0.71073","MoKα","","0.0505","0.0444","","","0.1242","0.1288","","","","","","1.047","","","","has coordinates,has Fobs","217010","2020-10-21","18:00:00",""
"2243018","10.0405","0.0002","14.6482","0.0004","14.6547","0.0004","100.745","0.001","93.83","0.002","98.497","0.002","2084.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Bis(mefloquinium) butanedioate ethanol monosolvate","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium butanedioate ethanol monosolvate","","- C40 H44 F12 N4 O7 -","- C40 H44 F12 N4 O7 -","- C80 H88 F24 N8 O14 -","2","1","HB7838","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","8","1162","1168","10.1107/S2056989019009654","","","0.71073","MoKα","","0.1166","0.0741","","","0.1561","0.1797","","","","","","1.042","","","","has coordinates,has Fobs","217011","2020-10-21","18:00:00",""
"2243019","3.9117","0.0008","25.109","0.005","14.968","0.003","90","","97.07","0.03","90","","1459","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-{[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile","","- C16 H11 Cl2 N3 O -","- C16 H11 Cl2 N3 O -","- C64 H44 Cl8 N12 O4 -","4","1","LH5909","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile","Acta Crystallographica Section E","2019","75","8","1190","1194","10.1107/S2056989019009642","","","0.80246","synchrotron","","0.0476","0.0454","","","0.1206","0.123","","","","","","1.071","","","","has coordinates,has Fobs","217102","2020-10-21","18:00:00",""
"2243020","13.1997","0.0017","9.2923","0.0011","13.801","0.0017","90","","92.399","0.002","90","","1691.3","0.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[di-μ~3~-cyanido-di-μ~2~-cyanido-bis(μ~2~-2-ethylpyrazine)dicopper(I)iron(II)]","","- C16 H16 Cu2 Fe N8 -","- C16 H16 Cu2 Fe N8 -","- C64 H64 Cu8 Fe4 N32 -","4","0.5","RZ5262","Partsevska, Sofiia V.; Naumova, Dina D.; Matushko, Igor P.; Kucheriv, Olesia I.; Gural'skiy, Il'ya A.","Crystal structure of a low-spin poly[di-μ~3~-cyanido-di-μ~2~-cyanido-bis(μ~2~-2-ethylpyrazine)dicopper(I)iron(II)]","Acta Crystallographica Section E","2019","75","8","1205","1208","10.1107/S2056989019009496","","","0.71073","MoKα","","0.0425","0.0297","","","0.0615","0.065","","","","","","0.932","","","","has coordinates,has Fobs","217188","2020-10-21","18:00:00",""
"2243021","11.2057","0.0015","11.5054","0.0015","13.2983","0.001","94.026","0.004","94.942","0.003","107.558","0.003","1620.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)gadolinium(III) 3.5-hydrate","","- C11 H37 Cu5 Gd N11 O24.5 -","- C11 H36.998 Cu5 Gd N11 O24.499 -","- C22 H73.996 Cu10 Gd2 N22 O48.998 -","2","1","CQ2031","Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.","The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue","Acta Crystallographica Section E","2019","75","8","1215","1223","10.1107/S205698901900999X","","","0.71073","MoKα","","0.0594","0.0343","","","0.0681","0.0762","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","217189","2020-10-21","18:00:00",""
"2243022","11.1083","0.0005","11.4991","0.0005","13.2894","0.0006","93.9235","0.0016","94.7713","0.0017","107.147","0.0017","1608.74","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)dysprosium(III) 3.28-hydrate","","- C11 H36.56 Cu5 Dy N11 O24.28 -","- C11 H36.56 Cu5 Dy N11 O24.28 -","- C22 H73.12 Cu10 Dy2 N22 O48.56 -","2","1","CQ2031","Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.","The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue","Acta Crystallographica Section E","2019","75","8","1215","1223","10.1107/S205698901900999X","","","0.71073","MoKα","","0.0426","0.0307","","","0.0709","0.0757","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","217189","2020-10-21","18:00:00",""
"2243023","11.2027","0.0009","11.4955","0.0009","13.2467","0.001","94.001","0.003","94.784","0.003","107.518","0.003","1613","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Pentaaquacarbonatopentakis(glycine hydroxamato)nitratopentacopper(II)holmium(III) 3.445-hydrate","","- C11 H36.89 Cu5 Ho N11 O24.45 -","- C11 H36.89 Cu5 Ho N11 O24.445 -","- C22 H73.78 Cu10 Ho2 N22 O48.89 -","2","1","CQ2031","Pavlishchuk, Anna; Naumova, Dina; Zeller, Matthias; Calderon Cazorla, Sebastian; Addison, Anthony W.","The crystal structures of {<i>Ln</i>Cu~5~}^3+^ (<i>Ln</i> = Gd, Dy and Ho) 15-metallacrown-5 complexes and a reevaluation of the isotypic Eu^III^ analogue","Acta Crystallographica Section E","2019","75","8","1215","1223","10.1107/S205698901900999X","","","0.71073","MoKα","","0.0485","0.0334","","","0.0769","0.0824","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","217189","2020-10-21","18:00:00",""
"2243024","13.9181","0.0007","13.4336","0.0006","8.408","0.0004","90","","90","","90","","1572.05","0.13","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(4-Bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Br Cl2 N3 O2 -","- C14 H8 Br Cl2 N3 O2 -","- C56 H32 Br4 Cl8 N12 O8 -","4","1","WM5507","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.","Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","8","1199","1204","10.1107/S2056989019010004","","","0.71073","MoKα","","0.0463","0.0326","","","0.0743","0.0814","","","","","","1.02","","","","has coordinates,has Fobs","217190","2020-10-21","18:00:00",""
"2243025","13.8689","0.0007","13.3674","0.0007","8.362","0.0005","90","","90","","90","","1550.24","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Cl3 N3 O2 -","- C14 H8 Cl3 N3 O2 -","- C56 H32 Cl12 N12 O8 -","4","1","WM5507","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.","Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","8","1199","1204","10.1107/S2056989019010004","","","0.71073","MoKα","","0.0549","0.0369","","","0.0831","0.0914","","","","","","1.043","","","","has coordinates,has Fobs","217190","2020-10-21","18:00:00",""
"2243026","17.2718","0.0002","16.653","0.0001","22.4402","0.0002","90","","108.922","0.001","90","","6105.62","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] tetraiodocadmate","","- C26 H24 Cd I4 N6 -","- C26 H24 Cd I4 N6 -","- C208 H192 Cd8 I32 N48 -","8","2","LH5912","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.","Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt","Acta Crystallographica Section E","2019","75","8","1209","1214","10.1107/S2056989019009964","","","0.71073","MoKα","","0.0597","0.0349","","","0.0813","0.0961","","","","","","1.007","","","","has coordinates,has Fobs","217191","2020-10-21","18:00:00",""
"2243027","7.3959","0.0005","10.2889","0.0008","18.5155","0.001","88.208","0.005","95.033","0.005","108.916","0.005","1327.71","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] 1.5-chloride 0.5-nitrate trihydrate","","- C26 H30 Cl1.5 N6.5 O4.5 -","- C26 H30 Cl1.5 N6.5 O4.5 -","- C52 H60 Cl3 N13 O9 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.","Crystal structures of an imidazo[1,5-<i>a</i>]pyridinium-based ligand and its (C~13~H~12~N~3~)~2~[CdI~4~] hybrid salt","Acta Crystallographica Section E","2019","75","8","1209","1214","10.1107/S2056989019009964","","x-ray","1.54178","CuKα","","0.0744","0.0473","","","0.1068","0.1207","","","","","","1.021","","","","has coordinates,has Fobs","217191","2020-10-21","18:00:00",""
"2243028","26.3146","0.0014","26.3146","0.0014","8.1205","0.0005","90","","90","","120","","4869.8","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C198 H198 N18 O54 -","18","1","HB7841","Caracelli, Ignez; Zukerman-Schpector, Julio; Schwab, Ricardo S.; da Silva, Everton M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study","Acta Crystallographica Section E","2019","75","8","1232","1238","10.1107/S2056989019010284","","","0.71073","MoKα","","0.0816","0.0527","","","0.1273","0.1489","","","","","","1.054","","","","has coordinates,has Fobs","217237","2020-10-21","18:00:00",""
"2243029","4.2823","0.0006","6.2607","0.0009","11.5497","0.0017","96.701","0.005","93.93","0.005","90.575","0.005","306.76","0.08","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","- C10 H10 Br2 O6 -","1","0.5","WM5512","Khotchasanthong, Kenika; Jittirattanakun, Siripak; Jiajaroen, Suwadee; Theppitak, Chatphorn; Chainok, Kittipong","Crystal structure and Hirshfeld surface analysis of 2,5-dibromoterephthalic acid ethylene glycol monosolvate","Acta Crystallographica Section E","2019","75","8","1228","1231","10.1107/S2056989019010260","","x-ray","0.71073","MoKα","","0.0283","0.0229","","","0.0502","0.052","","","","","","1.053","","","","has coordinates,has Fobs","217238","2020-10-21","18:00:00",""
"2243030","5.9406","0.0007","18.856","0.002","12.2375","0.0016","90","","96.863","0.004","90","","1361","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate","","- C26 H16 Cl6 N6 O2 -","- C26 H16 Cl6 N6 O2 -","- C52 H32 Cl12 N12 O4 -","2","0.5","JJ2213","Ahmed, Muhib; Devereux, Michael; McKee, Vickie; McCann, Malachy; Rooney, A. Denise","(<i>E</i>)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate: a superconjugated ligand","Acta Crystallographica Section E","2019","75","8","1224","1227","10.1107/S205698901900954X","","","0.71073","MoKα","","0.0646","0.0441","","","0.1015","0.1114","","","","","","1.025","","","","has coordinates,has Fobs","217239","2020-10-21","18:00:00",""
"2243031","16.993","0.004","9.955","0.002","21.243","0.005","90","","99.531","0.004","90","","3544","1.4","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(3-Nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","2","HB7839","Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.","Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones","Acta Crystallographica Section E","2019","75","8","1270","1273","10.1107/S2056989019010429","","","0.71073","MoKα","","0.1687","0.057","","","0.1155","0.1554","","","","","","0.938","","","","has coordinates,has Fobs","217320","2020-10-21","18:00:00",""
"2243032","17.478","0.003","10.4125","0.0019","9.7129","0.0017","90","","90","","90","","1767.6","0.5","298","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-(4-Nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Yennawar, Hemant P.; Peterson, Samuel D.; Silverberg, Lee J.","Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones","Acta Crystallographica Section E","2019","75","8","1270","1273","10.1107/S2056989019010429","","","0.71073","MoKα","","0.1209","0.0811","","","0.2162","0.2489","","","","","","1.013","","","","has coordinates,has Fobs","217320","2020-10-21","18:00:00",""
"2243033","11.7761","0.0002","11.8731","0.0002","18.2788","0.0003","92.501","0.002","94.696","0.002","116.609","0.002","2268.09","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Memantinium mesylate","(3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate","","- C13 H25 N O3 S -","- C13 H25 N O3 S -","- C78 H150 N6 O18 S6 -","6","3","FY2137","Tuksar, Mihaela; Rubčić, Mirta; Meštrović, Ernest","(3,5-Dimethyladamantan-1-yl)ammonium methanesulfonate (memantinium mesylate): synthesis, structure and solid-state properties","Acta Crystallographica Section E","2019","75","8","1274","1279","10.1107/S2056989019009988","","x-ray","1.54184","CuKα","","0.051","0.0469","","","0.1279","0.133","","","","","","1.055","","","","has coordinates,has Fobs","217321","2020-10-21","18:00:00",""
"2243034","15.8843","0.0005","29.78","0.001","16.6629","0.0006","90","","109.554","0.0012","90","","7427.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido({6,6'-[(ethane-1,2-diylbis(methylazanediyl)]bis(methylene)}bis(2,4-di-<i>tert</i>-butylphenol))palladium(II) chlorido(2,4-di-<i>tert</i>-butyl-6-{[(2-{[(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)methyl](methyl)amino}ethyl)(methyl)amino]methyl}phenolato)palladium(II) methanol 1.685-solvate 0.315-hydrate","","- C69.68 H118.37 Cl3 N4 O6 Pd2 -","- C69.685 H118.37 Cl3 N4 O6 Pd2 -","- C278.74 H473.48 Cl12 N16 O24 Pd8 -","4","1","LH5914","Graziano, Brendan J.; Wile, Bradley M.; Zeller, Matthias","Palladium(II) complexes of a bridging amine bis(phenolate) ligand featuring κ^2^ and κ^3^ coordination modes","Acta Crystallographica Section E","2019","75","8","1265","1269","10.1107/S2056989019010454","","","0.71073","MoKα","","0.0474","0.0333","","","0.0708","0.0759","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","217322","2020-10-21","18:00:00",""
"2243035","13.411","0.003","9.488","0.002","9.79","0.002","90","","90","","90","","1245.7","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate]","","- C5 H15 Br3 K N2 O0.5 -","- C5 H15 Br3 K N2 O0.5 -","- C20 H60 Br12 K4 N8 O2 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0153","0.015","","","0.0311","0.0311","","","","","","0.896","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243036","13.477","0.003","9.5617","0.0019","9.85","0.002","90","","90","","90","","1269.3","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate]","","- C5 H15 Br3 N2 O0.5 Rb -","- C5 H15 Br3 N2 O0.5 Rb -","- C20 H60 Br12 N8 O2 Rb4 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0132","0.0128","","","0.0276","0.0276","","","","","","1.01","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243037","13.61","0.003","9.7201","0.0019","9.977","0.002","90","","90","","90","","1319.9","0.5","93","2","93","2","","","","","","","","6","A m m 2","A 2 -2","38","","Poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate]","","- C5 H15 Br3 Cs N2 O0.5 -","- C5 H15 Br3 Cs N2 O0.5 -","- C20 H60 Br12 Cs4 N8 O2 -","4","0.5","VN2151","Ferrandin, Sarah; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and crystal structures of a new family of hybrid perovskites: C~5~H~14~N~2~·<i>A</i>Br~3~·0.5H~2~O (<i>A</i> = K, Rb, Cs)","Acta Crystallographica Section E","2019","75","8","1243","1248","10.1107/S2056989019010338","","","0.71073","MoKα","","0.0136","0.0134","","","0.0288","0.0289","","","","","","0.94","","","","has coordinates,has Fobs","217323","2020-10-21","18:00:00",""
"2243038","8.956","0.0008","9.7922","0.0009","10.2945","0.0008","110.048","0.008","90.336","0.007","98.052","0.007","838.34","0.13","170","","170","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-methylpyridine <i>N</i>-oxide)bis[diaquadibromidomanganese(II)]‒2-methylpyridine <i>N</i>-oxide (1/2)","","- C24 H36 Br4 Mn2 N4 O8 -","- C24 H36 Br4 Mn2 N4 O8 -","- C24 H36 Br4 Mn2 N4 O8 -","1","0.5","SU5505","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","x-ray","0.71073","MoKα","","0.0584","0.0374","","","0.0735","0.08","","","","","","1.001","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243039","7.6354","0.0005","9.97","0.0008","11.898","0.001","111.98","0.007","100.36","0.006","97.737","0.006","805.71","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[aquadibromido(3-methylpyridine <i>N</i>-oxide)manganese(II)]","","- C24 H32 Br4 Mn2 N4 O6 -","- C24 H32 Br4 Mn2 N4 O6 -","- C24 H32 Br4 Mn2 N4 O6 -","1","0.5","SU5505","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","x-ray","0.71073","MoKα","","0.058","0.0399","","","0.09","0.0977","","","","","","1.015","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243040","13.5384","0.0007","9.5354","0.0004","13.7292","0.0007","90","","103.112","0.005","90","","1726.15","0.15","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-methylpyridine <i>N</i>-oxide)bis[dibromidomethanol(4-methylpyridine <i>N</i>-oxide)manganese(II)]","","- C26 H36 Br4 Mn2 N4 O6 -","- C26 H36 Br4 Mn2 N4 O6 -","- C52 H72 Br8 Mn4 N8 O12 -","2","0.5","SU5505","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","x-ray","0.71073","MoKα","","0.0585","0.0431","","","0.1041","0.1116","","","","","","1.033","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243041","7.736","0.004","15.179","0.007","12.528","0.006","90","","100.055","0.004","90","","1448.5","1.2","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-pyridine <i>N</i>-oxide)bis[aquadibromido(pyridine <i>N</i>-oxide)manganese(II)]","","- C20 H24 Br4 Mn2 N4 O6 -","- C20 H24 Br4 Mn2 N4 O6 -","- C40 H48 Br8 Mn4 N8 O12 -","2","0.5","","Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W.","Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide","Acta Crystallographica Section E","2019","75","8","1284","1290","10.1107/S2056989019010557","","","0.71073","MoKα","","0.0465","0.0426","","","0.1072","0.1103","","","","","","1.13","","","","has coordinates,has Fobs","217324","2020-10-21","18:00:00",""
"2243042","29.403","0.005","7.9811","0.0014","6.7898","0.0013","90","","97.352","0.012","90","","1580.3","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Benzoyl-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0482","0.0353","","","0.0823","0.0891","","","","","","1.08","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243043","6.998","0.002","7.938","0.002","28.415","0.006","90","","92.2","0.03","90","","1577.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 F N2 O2 -","- C18 H19 F N2 O2 -","- C72 H76 F4 N8 O8 -","4","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.1384","0.0696","","","0.146","0.1899","","","","","","1.082","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243044","13.032","0.0011","13.247","0.0013","19.258","0.002","90","","90","","90","","3324.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C144 H152 Cl8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0812","0.0477","","","0.1108","0.127","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","217325","2020-10-21","18:00:00",""
"2243045","12.9119","0.0014","13.3664","0.0016","19.5019","0.0019","90","","90","","90","","3365.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Bromoobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C144 H152 Br8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0651","0.045","","","0.1187","0.1308","","","","","","1.02","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243046","12.7671","0.0013","13.5429","0.0012","20.2542","0.0016","90","","90","","90","","3502","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Iodobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C144 H152 I8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0807","0.0676","","","0.1409","0.1458","","","","","","1.176","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243047","9.7265","0.0006","12.9084","0.0009","24.861","0.001","90","","90","","90","","3121.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxybenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C144 H160 N16 O24 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0638","0.0406","","","0.0903","0.0997","","","","","","1.041","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243048","4.5787","0.0008","23.325","0.005","9.1828","0.0017","90","","90","","90","","980.7","0.3","93","2","93","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[piperazin-1-ium [di-μ-bromido-caesium]]","","- C4 H11 Br2 Cs N2 -","- C4 H11 Br2 Cs N2 -","- C16 H44 Br8 Cs4 N8 -","4","0.5","SU5506","Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms","Acta Crystallographica Section E","2019","75","8","1249","1252","10.1107/S2056989019010375","","","0.71073","MoKα","","0.0216","0.021","","","0.0548","0.0551","","","","","","1.098","","","","has coordinates,has Fobs","217326","2020-10-21","18:00:00",""
"2243049","4.4675","0.0013","23.036","0.007","9.021","0.003","90","","90","","90","","928.4","0.5","93","2","93","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[piperazin-1-ium [di-μ-bromido-rubidium]]","","- C4 H11 Br2 N2 Rb -","- C4 H11 Br2 N2 Rb -","- C16 H44 Br8 N8 Rb4 -","4","0.5","SU5506","Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms","Acta Crystallographica Section E","2019","75","8","1249","1252","10.1107/S2056989019010375","","","0.71073","MoKα","","0.0283","0.0228","","","0.0561","0.0572","","","","","","0.944","","","","has coordinates,has Fobs","217326","2020-10-21","18:00:00",""
"2243050","22.7465","0.0005","12.8779","0.0005","23.6033","0.0006","90","","115.384","0.0016","90","","6246.5","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(μ~3~-Benzene-1,2-dithiolato)hexacarbonylbis(μ~3~-1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)tricobaltmolybdenum","","- C20 H4 Co3 F12 Mo O6 S6 -","- C20 H4 Co3 F12 Mo O6 S6 -","- C160 H32 Co24 F96 Mo8 O48 S48 -","8","1","ZL2758","Nguyen, Neilson; Lough, Alan J.; Fekl, Ulrich","A molybdenum tris(dithiolene) complex coordinates to three bound cobalt centers in three different ways","Acta Crystallographica Section E","2019","75","8","1261","1264","10.1107/S2056989019010363","","","0.71073","MoKα","","0.0771","0.0445","","","0.0972","0.1117","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","217327","2020-10-21","18:00:00",""
"2243051","11.5352","0.0008","7.1711","0.0005","15.0606","0.001","90","","108.548","0.002","90","","1181.1","0.14","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3,4-Dihydroxybenzylidene)-4-hydroxybenzohydrazide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","IS5518","Chantrapromma, Suchada; Kwong, Huey Chong; Prachumrat, Patcharawadee; Kobkeatthawin, Thawanrat; Chia, Tze Shyang; Quah, Ching Kheng","Crystal structure of (<i>E</i>)-<i>N</i>'-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2019","75","8","1280","1283","10.1107/S2056989019010442","","","0.71073","MoKα","","0.0636","0.0501","","","0.1445","0.1609","","","","","","1.053","","","","has coordinates,has Fobs","217328","2020-10-21","18:00:00",""
"2243052","13.1955","0.0003","10.0157","0.0002","14.5476","0.0003","90","","98.329","0.002","90","","1902.36","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(4-methoxyphenyl)-3<i>a</i>-methyltetrahydroimidazo[4,5-<i>d</i>]imidazole-2,5(1<i>H</i>,3<i>H</i>)-dithione","","- C19 H20 N4 O2 S2 -","- C19 H20 N4 O2 S2 -","- C76 H80 N16 O8 S8 -","4","1","EX2021","Asegbeloyin, Jonnie N.; Ifeanyieze, Kenechukwu J.; Okpareke, Obinna C.; Oyeka, Ebube E.; Groutso, Tatiana V.","Crystal structure and Hirshfeld surface analysis of a new dithioglycoluril: 1,4-bis(4-methoxyphenyl)-3<i>a</i>-methyltetrahydroimidazo[4,5-<i>d</i>]imidazole-2,5(1<i>H</i>,3<i>H</i>)-dithione","Acta Crystallographica Section E","2019","75","9","1297","1300","10.1107/S2056989019010764","","x-ray","1.54184","CuKα","","0.0559","0.047","","","0.1491","0.1556","","","","","","1.222","","","","has coordinates,has Fobs","217453","2020-10-21","18:00:00",""
"2243053","11.7624","0.0009","22.9546","0.0019","8.1934","0.0007","90","","93.717","0.002","90","","2207.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-5-{(2<i>E</i>,4<i>E</i>)-6-[(<i>E</i>)-1,3,3-trimethylindolin-2-ylidene]hexa-2,4-dien-1-ylidene}pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C25 H29 N3 O3 -","- C25 H29 N3 O3 -","- C100 H116 N12 O12 -","4","1","YK2125","Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V.","Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid","Acta Crystallographica Section E","2019","75","9","1306","1310","10.1107/S2056989019011071","","","0.71073","MoKα","","0.0841","0.0482","","","0.1004","0.117","","","","","","1.017","","","","has coordinates,has Fobs","217552","2020-10-21","18:00:00",""
"2243054","16.1504","0.0006","8.1264","0.0003","15.6487","0.0006","90","","108.849","0.001","90","","1943.67","0.13","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-2-sulfanylidene-5-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]dihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C21 H25 N3 O2 S -","- C21 H25 N3 O2 S -","- C84 H100 N12 O8 S4 -","4","1","","Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Timofeeva, Tatiana V.","Synthesis and structure of push‒pull merocyanines based on barbituric and thiobarbituric acid","Acta Crystallographica Section E","2019","75","9","1306","1310","10.1107/S2056989019011071","","","0.71073","MoKα","","0.0728","0.046","","","0.1203","0.1414","","","","","","1.038","","","","has coordinates,has Fobs","217552","2020-10-21","18:00:00",""
"2243055","9.852","0.002","12.789","0.002","14.875","0.003","90","","106.932","0.007","90","","1793","0.6","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Isopropyl-<i>N</i>-methyltryptaminium fumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)propan-2-ylazanium 3-carboxyprop-2-enoate","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin","Acta Crystallographica Section E","2019","75","9","1316","1320","10.1107/S2056989019011253","","","0.71073","MoKα","","0.0661","0.0486","","","0.1142","0.1269","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","217553","2020-10-21","18:00:00",""
"2243056","29.507","0.003","8.7445","0.0008","17.3659","0.0018","90","","123.389","0.003","90","","3741.3","0.7","200","2","200.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Hydroxy-<i>N</i>-isopropyl-<i>N</i>-methyltryptaminium fumarate monohydrate","[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)propan-2-ylazanium 3-carboxyprop-2-enoate monohydrate","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C144 H208 N16 O48 -","8","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","The fumarate salts of the <i>N</i>-isopropyl-<i>N</i>-methyl derivatives of DMT and psilocin","Acta Crystallographica Section E","2019","75","9","1316","1320","10.1107/S2056989019011253","","","0.71073","MoKα","","0.05","0.0408","","","0.0902","0.0957","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","217553","2020-10-21","18:00:00",""
"2243057","8.1752","0.0006","13.2684","0.0008","12.7391","0.001","90","","100.105","0.003","90","","1360.4","0.17","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Bis(4-hydroxyphenyl)-1<i>H</i>-imidazol-3-ium chloride","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C60 H52 Cl4 N8 O8 -","4","1","SU5504","Mertens, R. Tyler; Parkin, Sean R.; Awuah, Samuel G.","Synthesis and crystal structure of 1,3-bis(4-hydroxyphenyl)-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2019","75","9","1311","1315","10.1107/S2056989019011058","","","0.71073","MoKα","","0.1135","0.0489","","","0.0658","0.0833","","","","","","1.008","","","","has coordinates,has Fobs","217554","2020-10-21","18:00:00",""
"2243058","14.4612","0.0007","20.8473","0.001","32.0864","0.0015","90","","95.508","0.001","90","","9628.6","0.8","83","2","83","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{[2-(Anthracen-9-yl)phenolato-κ<i>O</i>]bis(tetrahydrofuran)ytterbium(III)}-tris[μ-2-(anthracen-9-yl)phenolato]-κ^2^<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>O</i>;κ<i>O</i>:1,2-η,κ<i>O</i>]-{[2-(anthracen-9-yl)phenolato-κ<i>O</i>]ytterbium(II)} toluene trisolvate","","- C129 H105 O7 Yb2 -","- C129 H105 O7 Yb2 -","- C516 H420 O28 Yb8 -","4","1","","Berg, David J.; Twamley, Brendan","Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand","Acta Crystallographica Section E","2019","75","9","1367","1371","10.1107/S205698901901154X","","","0.71073","MoKα","","0.0756","0.0481","","","0.1029","0.1151","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","217670","2020-10-21","18:00:00",""
"2243059","8.942","0.0002","15.113","0.0003","11.5829","0.0003","90","","100.132","0.001","90","","1540.91","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(Prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","LH5915","Filali, Mouad; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Chakroune, Said; Ben-Tama, Abdessalam; El Hadrami, El Mestafa","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine","Acta Crystallographica Section E","2019","75","9","1321","1326","10.1107/S2056989019011186","","","1.54178","CuKα","","0.0416","0.0367","","","0.097","0.1012","","","","","","1.041","","","","has coordinates,has Fobs","217671","2020-10-21","18:00:00",""
"2243060","8.2767","0.0005","8.5106","0.0005","10.55","0.0007","90","","99.443","0.003","90","","733.07","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Trifluoromethyl-1<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-1-one","","- C7 H4 F3 N O2 -","- C7 H4 F3 N O2 -","- C28 H16 F12 N4 O8 -","4","1","HB7843","Zreigh, Mohamed M.; Adams, Harry; Jackson, Richard F. W.; Robertson, Craig C.","The first crystal structure of the pyrrolo[1,2-<i>c</i>]oxazole ring system","Acta Crystallographica Section E","2019","75","9","1336","1338","10.1107/S2056989019011095","","","0.71073","MoKα","","0.0313","0.0299","","","0.077","0.0782","","","","","","1.077","","","","has coordinates,has Fobs","217672","2020-10-21","18:00:00",""
"2243061","16.0762","0.0004","10.1827","0.0002","18.341","0.0003","90","","108.785","0.002","90","","2842.48","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[butyltris(1<i>H</i>-pyrazol-1-yl)borato]iron(II)","","- C26 H36 B2 Fe N12 -","- C26 H36 B2 Fe N12 -","- C104 H144 B8 Fe4 N48 -","4","1","FF2161","Seredyuk, Maksym; Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Slobodyanik, Mykola S.","Crystal structure and magnetic properties of bis[butyltris(1<i>H</i>-pyrazol-1-yl)borato]iron(II)","Acta Crystallographica Section E","2019","75","9","1327","1330","10.1107/S2056989019011137","","","0.71073","MoKα","","0.0949","0.0528","","","0.1335","0.1844","","","","","","0.78","","","","has coordinates,has Fobs","217673","2020-10-21","18:00:00",""
"2243062","12.0914","0.0008","9.4741","0.0006","12.7761","0.0009","90","","92.943","0.004","90","","1461.64","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","lapachol acetate","3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl acetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","EX2023","Martínez-Cabrera, Miguel A.; Macías, Mario A.; Ferreira, Francisco; Pandolfi, Enrique; Barúa, Javier; Suescun, Leopoldo","Crystal structure and Hirshfeld surface analysis of lapachol acetate 80 years after its first synthesis","Acta Crystallographica Section E","2019","75","9","1362","1366","10.1107/S2056989019011393","","","1.54178","CuKα","","0.0812","0.0479","","","0.1149","0.1356","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","217674","2020-10-21","18:00:00",""
"2243063","34.882","0.004","6.5332","0.0011","13.6021","0.0016","90","","100.599","0.014","90","","3046.9","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-Hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate","","- C32 H51 N O6 -","- C32 H51 N O6 -","- C128 H204 N4 O24 -","4","1","EX2022","Suescun, Leopoldo; Heinzen, Horacio","Absolute structure of (3a<i>S</i>,5<i>S</i>,7a<i>S</i>,7b<i>S</i>,9a<i>R</i>,10<i>R</i>,12a<i>R</i>,12b<i>S</i>)-7b-hydroxy-4,4,7a,9a,12a-pentamethyl-10-[(2'<i>R</i>)-6-methylheptan-2-yl]-2,8,9-trioxooctadecahydrobenzo[<i>d</i>]indeno[4,5-<i>b</i>]azepin-5-yl acetate from 62-year-old crystals","Acta Crystallographica Section E","2019","75","9","1348","1351","10.1107/S205698901901140X","","","1.54178","CuKα","","0.0549","0.0504","","","0.1306","0.1346","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","217675","2020-10-21","18:00:00",""
"2243064","7.6595","0.0003","20.9841","0.0007","7.8641","0.0003","90","","90","","90","","1263.98","0.08","150","0.1","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-[(Prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1<i>H</i>-tetrazole","","- C11 H9 F3 N4 S -","- C11 H9 F3 N4 S -","- C44 H36 F12 N16 S4 -","4","1","HB7842","Slyvka, Yurii; Goreshnik, Evgeny; Pokhodylo, Nazariy; Mys`kiv, Marian","Crystal structure, Hirshfeld surface analysis and computational studies of 5-[(prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2019","75","9","1331","1335","10.1107/S2056989019011459","","","0.71073","MoKα","","0.0451","0.0352","","","0.0737","0.0792","","","","","","1.071","","","","has coordinates,has Fobs","217676","2020-10-21","18:00:00",""
"2243065","10.6043","0.0005","9.4168","0.0004","16.4423","0.0007","90","","107.886","0.0017","90","","1562.55","0.12","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetramethylammonium 1,1,7,7-tetracyanohepta-2,4,6-trienide","","- C15 H17 N5 -","- C15 H17 N5 -","- C60 H68 N20 -","4","1","NR2075","Bogdanov, Georgii; Tillotson, John P.; Bustos, Jenna; Fonari, Marina; Timofeeva, Tatiana V.","Crystal structure of tetramethylammonium 1,1,7,7-tetracyanohepta-2,4,6-trienide","Acta Crystallographica Section E","2019","75","9","1344","1347","10.1107/S2056989019011411","","","0.71073","MoKα","","0.1271","0.0666","","","0.1804","0.2214","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","217677","2020-10-21","18:00:00",""
"2243066","5.8479","0.0005","8.5738","0.0007","15.2439","0.0012","80.693","0.006","83.147","0.007","78.164","0.007","735.27","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methylbenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","MW2146","Daoui, Said; Cinar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Karrouchi, Khalid; Benchat, Noureddine; Baydere, Cemile; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2019","75","9","1352","1356","10.1107/S2056989019011551","","","0.71073","MoKα","","0.1366","0.0682","","","0.1762","0.2081","","","","","","1.052","","","","has coordinates,has Fobs","217678","2020-10-21","18:00:00",""
"2243067","9.2784","0.0002","10.7925","0.0003","11.6696","0.0002","74.464","0.002","74.179","0.002","85.073","0.002","1083.11","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (<i>E</i>)-2-cyano-3-(3-methylthiophen-2-yl)acrylate","","- C11 H11 N O2 S -","- C11 H11 N O2 S -","- C44 H44 N4 O8 S4 -","4","2","","Al-Refai, Mahmoud; Ali, Basem F.; Said, Ala'a B.; Geyer, Armin; Marsch, Michael; Harms, Klaus","Synthesis, characterization, crystal structure and supramolecularity of ethyl (<i>E</i>)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2019","75","9","1357","1361","10.1107/S2056989019011435","","","1.54186","CuKα","","0.0441","0.0408","","","0.1192","0.1221","","","","","","1.104","","","","has coordinates,has Fobs","217679","2020-10-21","18:00:00",""
"2243068","11.5907","0.0003","6.6883","0.0002","13.4837","0.0003","90","","107.859","0.002","90","","994.92","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","","Al-Refai, Mahmoud; Ali, Basem F.; Said, Ala'a B.; Geyer, Armin; Marsch, Michael; Harms, Klaus","Synthesis, characterization, crystal structure and supramolecularity of ethyl (<i>E</i>)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2019","75","9","1357","1361","10.1107/S2056989019011435","","","1.54186","CuKα","","0.034","0.0334","","","0.0997","0.1003","","","","","","1.093","","","","has coordinates,has Fobs","217679","2020-10-21","18:00:00",""
"2243069","11.8576","0.0005","13.2995","0.0006","14.3948","0.0006","90","","110.363","0.003","90","","2128.2","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol","","- C27 H26 O Si -","- C27 H26 O Si -","- C108 H104 O4 Si4 -","4","1","SU5509","Williams, Alexandra; Brown, Michelle; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol","Acta Crystallographica Section E","2019","75","9","1339","1343","10.1107/S2056989019011265","","","1.54178","CuKα","","0.1175","0.0616","","","0.1417","0.1705","","","","","","0.973","","","","has coordinates,has Fobs","217680","2020-10-21","18:00:00",""
"2243070","10.3879","0.0007","10.5037","0.0007","13.635","0.0009","68.8212","0.0007","70.6364","0.0007","84.7947","0.0008","1308.06","0.15","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","2-Methyl-1,1,2,3,3-pentaphenyl-2-silapropane","","- C33 H30 Si -","- C33 H30 Si -","- C66 H60 Si2 -","2","1","","Williams, Alexandra; Brown, Michelle; Staples, Richard J.; Biros, Shannon M.; Winchester, William R.","Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol","Acta Crystallographica Section E","2019","75","9","1339","1343","10.1107/S2056989019011265","","","0.71073","MoKα","","0.0601","0.0448","","","0.11","0.1204","","","","","","1.076","","","","has coordinates,has Fobs","217680","2020-10-21","18:00:00",""
"2243071","3.9834","0.0007","13.471","0.002","25.661","0.004","90","","92.736","0.004","90","","1375.4","0.4","294","","294","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one","","- C15 H9 Br Cl2 O -","- C15 H9 Br Cl2 O -","- C60 H36 Br4 Cl8 O4 -","4","1","QM2132","Bindya, S.; Chidan Kumar, C. S.; Naveen, S.; Siddaraju, B. P.; Quah, Ching Kheng; Md. Abu Raihan","Crystal structure and Hirshfeld surface analysis of a bromochalcone: (<i>E</i>)-1-(3-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica, Section E","2019","75","2","264","267","10.1107/S205698901900104X","","x-ray","0.71073","MoKα","","0.0689","0.041","","","0.1116","0.1241","","","","","","1.044","","","","has coordinates,has Fobs","217870","2020-10-21","18:00:00",""
"2243072","11.7579","0.0004","15.0584","0.0005","7.1103","0.0003","90","","90","","90","","1258.92","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-{[(2-Hydroxyphenyl)methylidene]amino}morpholine-4-carbothioamide","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","MW2147","Tran Buu, Dang; Duong Ba, Vu; Khoi Nguyen Hoang, Minh; Vu Quoc, Trung; Duong Khanh, Linh; Oanh Doan Thi, Yen; Van Meervelt, Luc","Synthesis and redetermination of the crystal structure of salicylaldehyde <i>N</i>(4)-morpholinothiosemicarbazone","Acta Crystallographica Section E","2019","75","9","1389","1393","10.1107/S2056989019011812","","x-ray","0.71073","MoKα","","0.0385","0.0335","","","0.0833","0.0873","","","","","","1.073","","","","has coordinates,has Fobs","217894","2020-10-21","18:00:00",""
"2243073","13.827","0.002","26.243","0.004","8.1218","0.0015","90","","95.678","0.012","90","","2932.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[3,3-diethyl-1-(phenylimino-κ<i>N</i>)thiourea-κ<i>S</i>]silver hexafluoridophosphate","","- C22 H30 Ag F6 N6 P S2 -","- C22 H30 Ag F6 N6 P S2 -","- C88 H120 Ag4 F24 N24 P4 S8 -","4","1","","Groner, Vincent M.; Larson, Garrett E.; Kan, Yuwei; Roll, Mark F.; Moberly, James G.; Waynant, Kristopher V.","The synthesis and crystal structure of bis[3,3-diethyl-1-(phenylimino-κ<i>N</i>)thiourea-κ<i>S</i>]silver hexafluoridophosphate","Acta Crystallographica Section E","2019","75","9","1394","1398","10.1107/S2056989019011824","","x-ray","0.71073","MoKα","","0.0982","0.0394","","","0.0806","0.1006","","","","","","0.995","","","","has coordinates,has Fobs","217895","2020-10-21","18:00:00",""
"2243074","9.4977","0.0002","9.3635","0.0002","19.8978","0.0004","90","","102.752","0.001","90","","1725.9","0.06","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl 1-(2-iodobenzoyl)-cyclopent-3-ene-1-carboxylate","","- C17 H19 I O3 -","- C17 H19 I O3 -","- C68 H76 I4 O12 -","4","1","WM5513","Yin, Dejing","Synthesis and crystal structure of <i>tert</i>-butyl 1-(2-iodobenzoyl)cyclopent-3-ene-1-carboxylate","Acta Crystallographica Section E","2019","75","9","1383","1385","10.1107/S2056989019011514","","","1.54178","CuKα","","0.0631","0.051","","","0.1205","0.1308","","","","","","1.057","","","","has coordinates","217896","2020-10-21","18:00:00",""
"2243075","12.4682","0.0004","14.6397","0.0005","8.3524","0.0003","90","","91.392","0.002","90","","1524.12","0.09","299.65","","299.65","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione","","- C14 H15 Br Cl N O4 -","- C14 H15 Br Cl N O4 -","- C56 H60 Br4 Cl4 N4 O16 -","4","1","LH5913","Abdellaoui, Omar; Hökelek, Tuncer; Capet, Frédéric; Renard, Catherine; Haoudi, Amal; Skalli, Mohamed Khalid; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione","Acta Crystallographica Section E","2019","75","9","1372","1378","10.1107/S2056989019011617","","","0.71073","MoKα","","0.0565","0.0376","","","0.0905","0.0992","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","217897","2020-10-21","18:00:00",""
"2243076","6.8072","0.0003","8.5792","0.0004","15.801","0.0007","100.365","0.001","99.433","0.001","104.984","0.001","855.09","0.07","296","","296","","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(2-Hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O5 -","- C19 H20 O5 -","- C38 H40 O10 -","2","1","JJ2214","Jumaah, Maadh; Kwong, Huey Chong; Khairuddean, Melati","Crystal structure of (<i>E</i>)-3-(2-hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2019","75","9","1379","1382","10.1107/S2056989019011289","","","0.71073","MoKα","","0.0825","0.0522","","","0.145","0.1706","","","","","","1.053","","","","has coordinates,has Fobs","217898","2020-10-21","18:00:00",""
"2243077","7.7077","0.0002","8.0226","0.0002","8.4526","0.0003","90","","90","","90","","522.67","0.03","100","2","100.15","","","","","","","","","4","I m m a","-I 2b 2","74","","Diamminedichloridozinc","","- Cl2 H6 N2 Zn -","- Cl2 H6 N2 Zn -","- Cl8 H24 N8 Zn4 -","4","0.25","WM5517","Ivšić, Trpimir; Bi, David Wenhua; Magrez, Arnaud","New refinement of the crystal structure of Zn(NH~3~)~2~Cl~2~ at 100K","Acta Crystallographica Section E","2019","75","9","1386","1388","10.1107/S2056989019011757","","","0.71073","MoKα","","0.0163","0.0151","","","0.035","0.0356","","","","","","1.041","","","","has coordinates,has Fobs","217899","2020-10-21","18:00:00",""
"2243078","33.0258","0.0007","5.4412","0.0001","22.4342","0.0004","90","","107.203","0.002","90","","3851.07","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-Oxo-<i>N</i>'-(3,4,5-trimethoxybenzylidene)-2<i>H</i>-chromene-3-carbohydrazide dimethyl sulfoxide hemisolvate","","- C21 H21 N2 O6.5 S0.5 -","- C21 H21 N2 O6.5 S0.5 -","- C168 H168 N16 O52 S4 -","8","1","LH5917","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Capelini, Camiola; Câmara, Vitoria R.F.; da Silva, Edson F.; Carvalho, Samir A.","Crystal structures and Hirshfeld surface analyses of (<i>E</i>)-<i>N</i>'-benzylidene-2-oxo-2<i>H</i>-chromene-3-carbohydrazide and the disordered hemi-DMSO solvate of (<i>E</i>)-2-oxo-<i>N</i>'-(3,4,5-trimethoxybenzylidene)-2<i>H</i>-chromene-3-carbohydrazide: lattice energy and intermolecular interaction energy calculations for the former","Acta Crystallographica Section E","2019","75","10","1403","1410","10.1107/S2056989019012015","","x-ray","0.71075","MoKα","","0.0344","0.0315","","","0.0842","0.086","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","217958","2020-10-21","18:00:00",""
"2243079","5.6715","0.0001","7.4164","0.0001","15.9819","0.0003","88.369","0.001","84.147","0.001","82.961","0.002","663.6","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-oxo-2<i>H</i>-chromene-3-carbohydrazide","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C34 H24 N4 O6 -","2","1","LH5917","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Capelini, Camiola; Câmara, Vitoria R.F.; da Silva, Edson F.; Carvalho, Samir A.","Crystal structures and Hirshfeld surface analyses of (<i>E</i>)-<i>N</i>'-benzylidene-2-oxo-2<i>H</i>-chromene-3-carbohydrazide and the disordered hemi-DMSO solvate of (<i>E</i>)-2-oxo-<i>N</i>'-(3,4,5-trimethoxybenzylidene)-2<i>H</i>-chromene-3-carbohydrazide: lattice energy and intermolecular interaction energy calculations for the former","Acta Crystallographica Section E","2019","75","10","1403","1410","10.1107/S2056989019012015","","x-ray","1.54178","CuKα","","0.0334","0.0326","","","0.1028","0.1041","","","","","","0.876","","","","has coordinates,has Fobs","217958","2020-10-21","18:00:00",""
"2243080","7.1809","0.0002","21.4466","0.0005","8.9173","0.0002","90","","92.784","0.002","90","","1371.7","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C60 H48 Cl4 N4 O12 -","4","1","LH5918","Hayani, Sonia; Filali Baba, Yassir; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Sebbar, Nada Kheira; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2019","75","10","1411","1417","10.1107/S2056989019012283","","","1.54178","CuKα","","0.089","0.0783","","","0.1725","0.1783","","","","","","1.127","","","","has coordinates,has Fobs","218066","2020-10-21","18:00:00",""
"2243081","6.7559","0.0001","16.9258","0.0002","19.0611","0.0003","110.447","0.001","96.854","0.002","93.37","0.001","2015.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl benzoate","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0877","0.0596","","","0.184","0.2256","","","","","","0.83","","","","has coordinates,has disorder,has Fobs","218155","2020-10-21","18:00:00",""
"2243082","6.7802","0.0001","17.2671","0.0004","17.3089","0.0004","108.224","0.001","99.084","0.001","96.72","0.001","1870.5","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl isobutyrate 0.25-hydrate","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 2-methylpropanoate 0.25-hydrate","","- C17 H21.5 N3 O4.25 S -","- C17 H21.5 N3 O4.25 S -","- C68 H86 N12 O17 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0718","0.053","","","0.1503","0.1686","","","","","","1.038","","","","has coordinates,has disorder","218155","2020-10-21","18:00:00",""
"2243083","11.415","0.0003","12.4021","0.0003","13.2305","0.0003","71.982","0.001","89.829","0.001","83.114","0.001","1767.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl propionate","","- C16 H19 N3 O4 S -","- C16 H19 N3 O4 S -","- C64 H76 N12 O16 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0482","0.0371","","","0.0977","0.106","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","218155","2020-10-21","18:00:00",""
"2243084","10.7427","0.0001","11.0828","0.0002","20.8969","0.0003","93.186","0.001","103.945","0.004","98.489","0.002","2377.4","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl cinnamate chloroform hemisolvate","","- C22.5 H21.5 Cl1.5 N3 O4 S -","- C22.5 H21.5 Cl1.5 N3 O4 S -","- C90 H86 Cl6 N12 O16 S4 -","4","2","SU5508","NizamMohideen, M.; Syed Abuthahir, S.; Viswanathan, V.; Velmurugan, D.; Karthik Ananth, M.","The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl derivatives","Acta Crystallographica Section E","2019","75","10","1436","1444","10.1107/S2056989019011915","","","0.71073","MoKα","","0.0708","0.0581","","","0.184","0.1952","","","","","","1.088","","","","has coordinates,has Fobs","218155","2020-10-21","18:00:00",""
"2243085","17.9667","0.0004","7.915","0.0001","17.6995","0.0005","90","","110.673","0.001","90","","2354.92","0.09","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene","7-Methoxy-1,8-bis[(2,4,6-trichlorophenyl)carbonyl]naphthalen-2-ol","","- C25 H12 Cl6 O4 -","- C25 H12 Cl6 O4 -","- C100 H48 Cl24 O16 -","4","1","","Muto, Toyokazu; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure and Hirshfeld surface analysis of 2-hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene","Acta Crystallographica Section E","2019","75","10","1418","1422","10.1107/S2056989019012118","","","1.54187","CuKα","","0.0496","0.0448","","","0.1227","0.1259","","","","","","1.058","","","","has coordinates,has Fobs","218156","2020-10-21","18:00:00",""
"2243086","26.406","0.002","9.5558","0.0009","7.1019","0.0006","90","","101.076","0.002","90","","1758.6","0.3","100","2","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","2,4-Dichlorophenol‒ 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate (1/1)","","- C16 H17 Cl4 N O3 -","- C16 H17 Cl4 N O3 -","- C64 H68 Cl16 N4 O12 -","4","1","FY2140","Uprety, Bhawna; Arderne, Charmaine","The crystal structure of the zwitterionic co-crystal of 2,4-dichloro-6-{[(3-hydroxypropyl)ammonio]methyl}phenolate and 2,4-dichlorophenol","Acta Crystallographica Section E","2019","75","10","1452","1455","10.1107/S2056989019012544","","","0.71073","MoKα","","0.0413","0.0368","","","0.0897","0.0917","","","","","","1.03","","","","has coordinates,has Fobs","218157","2020-10-21","18:00:00",""
"2243087","9.9949","0.0005","23.546","0.001","10.2919","0.0006","90","","108.334","0.006","90","","2299.1","0.2","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromo-<i>N</i>-[(3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazol-1-yl)methylidene]aniline","","- C27 H29 Br N2 -","- C27 H29 Br N2 -","- C108 H116 Br4 N8 -","4","1","IS5522","Kubono, Koji; Matsumoto, Taisuke; Taneda, Masatsugu","Crystal structure of 4-bromo-<i>N</i>-[(3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazol-1-yl)methylidene]aniline","Acta Crystallographica Section E","2019","75","10","1429","1431","10.1107/S2056989019012374","","x-ray","0.71075","MoKα","","0.0421","0.0335","","","0.0731","0.076","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","218158","2020-10-21","18:00:00",""
"2243088","17.5093","0.0007","7.8052","0.0003","30.3155","0.0013","90","","90","","90","","4143","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Methacrylamido-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate","","- C17 H33 N3 O5 S -","- C17 H33 N3 O5 S -","- C136 H264 N24 O40 S8 -","8","2","VM2221","Wickramasinhage, Ravindra N.; McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim","The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-<i>N</i>,<i>N</i>,<i>N</i>-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate","Acta Crystallographica Section E","2019","75","10","1445","1451","10.1107/S2056989019012003","","","1.54184","CuKα","","0.0711","0.0596","","","0.1581","0.1725","","","","","","1.029","","","","has coordinates,has Fobs","218159","2020-10-21","18:00:00",""
"2243089","8.5614","0.0008","15.6055","0.0012","10.0527","0.0009","90","","95.031","0.003","90","","1337.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{(1<i>E</i>)-[(<i>E</i>)-2-(2,6-Dichlorobenzylidene)hydrazin-1-\ ylidene]methyl}phenol","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C56 H40 Cl8 N8 O4 -","4","1","HB7852","Manawar, Rohit B.; Gondaliya, Mitesh B.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-{(1<i>E</i>)-[(<i>E</i>)-2-(2,6-Dichlorobenzylidene)hydrazin-1-ylidene]methyl}phenol: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","10","1423","1428","10.1107/S2056989019012349","","","0.71073","MoKα","","0.0702","0.0439","","","0.1184","0.1383","","","","","","1.052","","","","has coordinates,has Fobs","218160","2020-10-21","18:00:00",""
"2243090","7.4051","0.001","10.6213","0.0015","18.569","0.003","90","","94.117","0.002","90","","1456.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","HB7854","Tan, Sang Loon; Azizan, Ainnul Hamidah Syahadah; Jotani, Mukesh M.; Tiekink, Edward R. T.","3,3-Bis(2-hydroxyethyl)-1-[(4-methylphenyl)carbonyl]thiourea: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","10","1472","1478","10.1107/S2056989019012581","","","0.71073","MoKα","","0.0674","0.039","","","0.085","0.0984","","","","","","1.035","","","","has coordinates,has Fobs","218246","2020-10-21","18:00:00",""
"2243091","9.7572","0.0001","11.703","0.0002","11.7602","0.0002","74.419","0.001","80.114","0.001","67.285","0.002","1189.7","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>N</i>,<i>N</i>'-Diisopropyldithiocarbamato)triphenyltin(IV)","","- C25 H29 N S2 Sn -","- C25 H29 N S2 Sn -","- C50 H58 N2 S4 Sn2 -","2","1","HB7851","Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","(<i>N</i>,<i>N</i>'-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2019","75","10","1479","1485","10.1107/S2056989019012490","","","1.54184","CuKα","","0.0151","0.015","","","0.0399","0.04","","","","","","0.997","","","","has coordinates,has Fobs","218247","2020-10-21","18:00:00",""
"2243092","8.671","0.0004","15.6756","0.0007","20.2284","0.0009","90","","93.036","0.002","90","","2745.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5''-(2-Chlorobenzylidene)-4'-(2-chlorophenyl)-1'-methyldispiro[acenaphthene-1,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C34 H28 Cl2 N2 O2 -","- C34 H28 Cl2 N2 O2 -","- C136 H112 Cl8 N8 O8 -","4","1","JJ2215","Sribala, R.; Indhumathi, S.; Krishnakumar, R.V.; Srinivasan, N.","Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine‒methyl exchange rule","Acta Crystallographica Section E","2019","75","10","1456","1462","10.1107/S2056989019012428","","","0.71073","MoKα","","0.0739","0.0435","","","0.1012","0.1223","","","","","","1.015","","","","has coordinates,has Fobs","218248","2020-10-21","18:00:00",""
"2243093","8.7507","0.0005","15.9089","0.0008","20.2879","0.001","90","","92.935","0.002","90","","2820.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-5''-(2-methylbenzylidene)-4'-(2-methylphenyl)dispiro[acenaphthene-1,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C144 H136 N8 O8 -","4","1","JJ2215","Sribala, R.; Indhumathi, S.; Krishnakumar, R.V.; Srinivasan, N.","Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine‒methyl exchange rule","Acta Crystallographica Section E","2019","75","10","1456","1462","10.1107/S2056989019012428","","","0.71073","MoKα","","0.0835","0.0445","","","0.1046","0.1214","","","","","","1.021","","","","has coordinates,has Fobs","218248","2020-10-21","18:00:00",""
"2243094","6.095","0.003","10.215","0.004","17.995","0.008","84.781","0.015","85.688","0.015","76.012","0.015","1081","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-(3,5-Di-<i>tert</i>-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carboxamide","","- C24 H31 N3 O2 -","- C24 H31 N3 O2 -","- C48 H62 N6 O4 -","2","1","","Asgarova, Ayten R.","Crystal structure and Hirshfeld surface analysis of 5-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carboxamide","Acta Crystallographica Section E","2019","75","10","1467","1471","10.1107/S205698901901243X","","","0.71073","MoKα","","0.0846","0.0552","","","0.1418","0.1633","","","","","","1.025","","","","has coordinates,has Fobs","218249","2020-10-21","18:00:00",""
"2243095","7.9556","0.0006","14.8583","0.0011","17.3362","0.0012","90","","95.556","0.004","90","","2039.6","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2''',6,6'''-Tetramethoxy-3,2':5',3'':6'',3'''-quaterpyridine","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Moon, Suk-Hee; Kim, Jinho; Park, Ki-Min; Kang, Youngjin","Crystal structure and Hirshfeld surface analysis of 2,2''',6,6'''-tetramethoxy-3,2':5',3'':6'',3'''-quaterpyridine","Acta Crystallographica Section E","2019","75","10","1511","1514","10.1107/S205698901901274X","","","0.71073","MoKα","","0.0742","0.0537","","","0.1447","0.1598","","","","","","1.041","","","","has coordinates,has Fobs","218661","2020-10-21","18:00:00",""
"2243096","13.4775","0.0012","28.026","0.003","9.1085","0.0009","90","","90","","90","","3440.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)\ benzamide","","- C18 H18 F2 N2 O3 -","- C18 H18 F2 N2 O3 -","- C144 H144 F16 N16 O24 -","8","2","SU5514","Artheswari, G.; Maheshwaran, V.; Gautham, N.","Crystal structure and Hirshfeld surface analysis of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)benzamide","Acta Crystallographica Section E","2019","75","10","1515","1518","10.1107/S2056989019012866","","","0.71073","MoKα","","0.0832","0.0529","","","0.1444","0.1671","","","","","","1.021","","","","has coordinates,has Fobs","218662","2020-10-21","18:00:00",""
"2243097","6.215","0.001","7.547","0.001","18.716","0.004","84.34","0.02","87.14","0.02","84.69","0.02","869.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium benzoate monohydrate","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1155","0.0542","","","0.1132","0.1339","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243098","6.256","0.001","7.489","0.001","19.097","0.002","84.19","0.01","86.98","0.02","84.62","0.02","885.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-fluorobenzoate monohydrate","","- C18 H23 F N2 O4 -","- C18 H23 F N2 O4 -","- C36 H46 F2 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1957","0.0656","","","0.0974","0.1275","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243099","6.211","0.001","7.481","0.001","20.144","0.004","84.9","0.02","87.48","0.02","85.19","0.02","928.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-chlorobenzoate monohydrate","","- C18 H23 Cl N2 O4 -","- C18 H23 Cl N2 O4 -","- C36 H46 Cl2 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1863","0.0649","","","0.1061","0.1354","","","","","","0.939","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243100","6.2004","0.0008","7.4957","0.0009","20.44","0.002","85.08","0.01","87.37","0.01","85","0.01","942.17","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-bromobenzoate monohydrate","","- C18 H23 Br N2 O4 -","- C18 H23 Br N2 O4 -","- C36 H46 Br2 N4 O8 -","2","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.1243","0.0676","","","0.1738","0.1971","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243101","6.5009","0.0008","7.9735","0.0009","32.155","0.004","90","","90","","90","","1666.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)piperazin-1-ium 2-hydroxybenzoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0566","0.0411","","","0.0835","0.0892","","","","","","1.049","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243102","9.2817","0.0007","11.2905","0.0007","30.309","0.002","90","","90","","90","","3176.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium pyridine-3-carboxylate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C136 H168 N24 O24 -","8","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.074","0.0484","","","0.1054","0.1185","","","","","","1.035","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243103","7.55","0.0009","7.6489","0.0009","32.719","0.006","90","","91.3","0.01","90","","1889","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2-hydroxy-3,5-dinitrobenzoate","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.155","0.066","","","0.1055","0.1284","","","","","","1.027","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243104","9.3225","0.0009","28.261","0.003","5.8228","0.0008","90","","90","","90","","1534.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogensuccinate","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0544","0.0426","","","0.0966","0.1043","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243105","9.069","0.001","28.528","0.003","5.8375","0.0009","90","","90","","90","","1510.3","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogenfumarate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0559","0.041","","","0.0936","0.101","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243106","9.063","0.001","6.4956","0.0009","26.093","0.003","90","","93.18","0.01","90","","1533.7","0.3","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogenmaleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0581","0.0397","","","0.1016","0.1108","","","","","","1.046","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243107","10.6117","0.0011","13.808","0.001","10.9137","0.0008","90","","90","","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(4-Methoxyphenyl)piperazin-1-ium trichloroacetate","","- C13 H17 Cl3 N2 O3 -","- C13 H17 Cl3 N2 O3 -","- C52 H68 Cl12 N8 O12 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0357","0.0321","","","0.0828","0.0861","","","","","","1.078","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243108","9.1597","0.0005","15.1434","0.0008","10.8742","0.0006","90","","102.067","0.005","90","","1475.02","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-(4-methoxyphenyl)piperazin-1-ium) chloranilate(2-) dihydrate","","- C14 H19 Cl N2 O4 -","- C14 H19 Cl N2 O4 -","- C56 H76 Cl4 N8 O16 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0549","0.0391","","","0.0968","0.1049","","","","","","1.024","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243109","7.4802","0.0004","7.4802","0.0004","7.9725","0.0011","90","","90","","90","","446.09","0.07","180","0.1","180","0.1","","","","","","","","6","P 4/m m m","-P 4 2","123","","Poly[[diaquatetra-μ~2~-cyanido-iron(II)platinum(II)] acetone disolvate]","","- C10 H16 Fe N4 O4 Pt -","- C10 H16 Fe N4 O4 Pt -","- C10 H16 Fe N4 O4 Pt -","1","0.0625","TX2013","Kuzevanova, Iryna S.; Naumova, Dina D.; Terebilenko, Kateryna V.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of poly[[diaquatetra-μ~2~-cyanido-iron(II)platinum(II)] acetone disolvate]","Acta Crystallographica Section E","2019","75","10","1536","1539","10.1107/S2056989019012945","","x-ray","0.71073","MoKα","","0.0255","0.0247","","","0.0451","0.0455","","","","","","1.035","","","","has coordinates,has disorder","218908","2020-10-21","18:00:00",""
"2243110","12.753","0.009","6.665","0.004","24.05","0.014","90","","102.95","0.03","90","","1992","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran 1,4-dioxane monosolvate","","- C20 H17 Cl2 N2 O4 -","- C20 H18 Cl2 N2 O4 -","- C80 H72 Cl8 N8 O16 -","4","1","YK2126","Silambarasan, S.; Nasser, A. Jamal Abdul; Mohandas, T.","Crystal structures of two 4<i>H</i>-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran","Acta Crystallographica Section E","2019","75","10","1568","1572","10.1107/S2056989019013197","","","0.71073","MoKα","","0.0554","0.0435","","","0.1124","0.1213","","","","","","1.107","","","","has coordinates,has Fobs","218909","2020-10-21","18:00:00",""
"2243111","6.271","0.003","8.697","0.005","13.794","0.007","107.06","0.02","94.269","0.017","95","0.03","712.5","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4<i>H</i>-\ benzo[1,2-<i>b</i>]pyran","","- C16 H9 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C32 H20 Cl4 N4 O4 -","2","1","YK2126","Silambarasan, S.; Nasser, A. Jamal Abdul; Mohandas, T.","Crystal structures of two 4<i>H</i>-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran","Acta Crystallographica Section E","2019","75","10","1568","1572","10.1107/S2056989019013197","","","0.71073","MoKα","","0.0381","0.0325","","","0.0744","0.0812","","","","","","1.109","","","","has coordinates,has Fobs","218909","2020-10-21","18:00:00",""
"2243112","12.6269","0.0002","18.0525","0.0003","24.9524","0.0006","90","","90","","90","","5687.83","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(15,20-Bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)\ bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane solvate","","- C64 H33 F10 N5 Ni S2 -","- C64 H33 F10 N5 Ni S2 -","- C256 H132 F40 N20 Ni4 S8 -","4","1","HB7846","Gutzeit, Florian; Neumann, Tjorge; Näther, Christian; Herges, Rainer","Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane <i>x</i>-solvate (<i>x</i> > 1/2)","Acta Crystallographica Section E","2019","75","10","1558","1563","10.1107/S2056989019012453","","","0.71073","MoKα","","0.0548","0.043","","","0.0943","0.0994","","","","","","1.04","","","","has coordinates,has Fobs","218910","2020-10-21","18:00:00",""
"2243113","13.667","0.0013","6.8704","0.0006","16.722","0.0016","90","","108.02","0.004","90","","1493.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1,3-Benzoxazol-2-yl)sulfanyl]-<i>N</i>-(2-methoxyphenyl)acetamide","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C64 H56 N8 O12 S4 -","4","1","RZ5264","Aydin, Abdullah; Celikesir, Sevim Turktekin; Akkurt, Mehmet; Saylam, Merve; Pabuccuoglu, Varol","Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-<i>N</i>-(2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2019","75","10","1531","1535","10.1107/S2056989019012908","","","0.71073","MoKα","","0.1282","0.0921","","","0.1565","0.1693","","","","","","1.095","","","","has coordinates,has Fobs","218911","2020-10-21","18:00:00",""
"2243114","20.5876","0.0004","7.6889","0.0003","20.4312","0.0004","90","","104.534","0.0007","90","","3130.68","0.15","190","1","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C128 H80 Cl8 N24 O48 -","8","1","LH5922","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","10","1552","1557","10.1107/S2056989019012799","","","0.71075","MoKα","","0.0407","0.0368","","","0.0994","0.1036","","","","","","1.046","","","","has coordinates,has Fobs","218912","2020-10-21","18:00:00",""
"2243115","7.7282","0.001","10.2839","0.0014","11.2828","0.0016","71.99","0.004","79.724","0.004","69.051","0.003","794.08","0.19","190","1","190","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-2-nitrobenzoicacid‒6-nitroquinoline (1/1)","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5922","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","10","1552","1557","10.1107/S2056989019012799","","","0.71075","MoKα","","0.046","0.0389","","","0.109","0.113","","","","","","1.069","","","","has coordinates,has Fobs","218912","2020-10-21","18:00:00",""
"2243116","7.3409","0.0005","7.4689","0.0004","27.0427","0.0014","90","","95.7158","0.0019","90","","1475.34","0.15","190","1","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Hydroxyquinoliniumb 3-chloro-2-nitrobenzoate","","- C16 H11 Cl N2 O5 -","- C16 H11 Cl N2 O5 -","- C64 H44 Cl4 N8 O20 -","4","1","LH5922","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 3-chloro-2-nitrobenzoic acid with quinoline derivatives: 3-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1), 3-chloro-2-nitrobenzoic acid‒6-nitroquinoline (1/1) and 8-hydroxyquinolinium 3-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","10","1552","1557","10.1107/S2056989019012799","","","0.71075","MoKα","","0.0355","0.0327","","","0.0899","0.092","","","","","","1.056","","","","has coordinates,has Fobs","218912","2020-10-21","18:00:00",""
"2243117","8.369","0.0003","13.244","0.0004","29.221","0.0005","90","","93.28","0.002","90","","3233.52","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(Naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C37 H26 N4 O3 S -","- C37 H26 N4 O3 S -","- C148 H104 N16 O12 S4 -","4","1","XI2018","Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.","The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","Acta Crystallographica Section E","2019","75","10","1519","1524","10.1107/S205698901901291X","","","0.71073","MoKα","","0.1126","0.0566","","","0.1477","0.1636","","","","","","1.059","","","","has coordinates,has Fobs","218913","2020-10-21","18:00:00",""
"2243118","35.736","0.0005","11.451","0.0004","15.313","0.0003","90","","98.378","0.002","90","","6199.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6'-(nNphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C288 H224 N16 O32 -","8","1","XI2018","Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.","The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one","Acta Crystallographica Section E","2019","75","10","1519","1524","10.1107/S205698901901291X","","","0.71073","MoKα","","0.0595","0.0427","","","0.1194","0.1258","","","","","","1.072","","","","has coordinates,has Fobs","218913","2020-10-21","18:00:00",""
"2243119","8.6618","0.0003","16.261","0.0006","19.0572","0.0004","90","","90","","90","","2684.2","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)","","- C18 H32 F6 Fe O10 S2 -","- C18 H32 F6 Fe O10 S2 -","- C72 H128 F24 Fe4 O40 S8 -","4","1","VN2153","Riemersma, Charl F.; Monkcom, Emily C.; Klein Gebbink, Robertus J. M.; Lutz, Martin","Crystal structure of tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)","Acta Crystallographica Section E","2019","75","10","1548","1551","10.1107/S2056989019013094","","","0.71073","MoKα","","0.0198","0.0191","","","0.0508","0.0512","","","","","","1.073","","","","has coordinates,has Fobs","218914","2020-10-21","18:00:00",""
"2243120","10.5986","0.0005","8.7168","0.0003","13.0308","0.0005","90","","111.513","0.002","90","","1119.99","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Amino-5-phenylthiazolidin-2-iminium bromide","","- C9 H12 Br N3 S -","- C9 H12 Br N3 S -","- C36 H48 Br4 N12 S4 -","4","1","HB7855","Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.","Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2019","75","10","1544","1547","10.1107/S2056989019013069","","","0.71073","MoKα","","0.0344","0.027","","","0.0667","0.0696","","","","","","1.016","","","","has coordinates,has Fobs","218915","2020-10-21","18:00:00",""
"2243121","8.1111","0.0017","44.054","0.009","12.259","0.002","90","","109.612","0.012","90","","4126.3","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexakis(pentafluorophenoxy)cyclotriphosphazene","","- C36 F30 N3 O6 P3 -","- C36 F30 N3 O6 P3 -","- C144 F120 N12 O24 P12 -","4","1","HB7853","Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.","Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes","Acta Crystallographica Section E","2019","75","10","1525","1530","10.1107/S2056989019012933","","","0.71073","MoKα","","0.1122","0.0653","","","0.1334","0.1528","","","","","","1.043","","","","has coordinates,has Fobs","218916","2020-10-21","18:00:00",""
"2243122","13.4906","0.0011","13.6573","0.0011","14.9377","0.0013","65.253","0.002","68.874","0.002","71.715","0.002","2288","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Hexakis[4-(trifluoromethyl)phenoxy]cyclotriphosphazene","","- C42 H24 F18 N3 O6 P3 -","- C42 H24 F18 N3 O6 P3 -","- C84 H48 F36 N6 O12 P6 -","2","1","","Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.","Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes","Acta Crystallographica Section E","2019","75","10","1525","1530","10.1107/S2056989019012933","","","0.71073","MoKα","","0.1002","0.0616","","","0.167","0.1949","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","218916","2020-10-21","18:00:00",""
"2243123","8.9782","0.0014","13.947","0.002","23.205","0.004","97.276","0.006","93.155","0.006","91.615","0.006","2876.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Hexakis[3,5-bis(trifluoromethyl)phenoxy]cyclotriphosphazene","","- C48 H18 F36 N3 O6 P3 -","- C48 H18 F36 N3 O6 P3 -","- C96 H36 F72 N6 O12 P6 -","2","1","","Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.","Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes","Acta Crystallographica Section E","2019","75","10","1525","1530","10.1107/S2056989019012933","","","0.71073","MoKα","","0.1531","0.0629","","","0.1248","0.1601","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","218916","2020-10-21","18:00:00",""
"2243124","9.3492","0.0002","16.3716","0.0003","10.803","0.0002","90","","90","","90","","1653.52","0.06","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","<i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-\ amine","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","SU5507","Tber, Zahira; Kansiz, Sevgi; El Hafi, Mohamed; Loubidi, Mohamed; Jouha, Jabrane; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure and Hirshfeld surface analysis of <i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-amine","Acta Crystallographica Section E","2019","75","10","1564","1567","10.1107/S2056989019012751","","","1.54178","CuKα","","0.0372","0.0345","","","0.0906","0.0935","","","","","","1.05","","","","has coordinates,has Fobs","218917","2020-10-21","18:00:00",""
"2243125","10.0905","0.0005","14.8664","0.0008","16.1261","0.0009","90","","97.347","0.005","90","","2399.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-<i>n</i>-butylammonium orotate monohydrate","Tetra-<i>n</i>-butylammonium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate monohydrate","","- C21 H41 N3 O5 -","- C21 H41 N3 O5 -","- C84 H164 N12 O20 -","4","1","HB7858","Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros","Tetra-<i>n</i>-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement","Acta Crystallographica Section E","2019","75","11","1632","1637","10.1107/S2056989019013380","","","0.71073","MoKα","","0.0601","0.0458","","","0.1103","0.1178","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","219177","2020-10-21","18:00:00",""
"2243126","10.1335","0.0005","14.669","0.0007","16.9205","0.0008","90","","96.63","0.004","90","","2498.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 N3 O5 -","- C21 H41 N3 O5 -","- C84 H164 N12 O20 -","4","1","HB7858","Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros","Tetra-<i>n</i>-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement","Acta Crystallographica Section E","2019","75","11","1632","1637","10.1107/S2056989019013380","","","0.71073","MoKα","","0.1235","0.047","","","0.0892","0.0954","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","219177","2020-10-21","18:00:00",""
"2243127","12.1452","0.0005","8.1784","0.0003","31.2738","0.0012","90","","90","","90","","3106.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(4-Hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","SJ5579","Duong Khanh, Linh; Hanh Trinh Thi, My; Quynh Bui Thi, Thuy; Vu Quoc, Trung; Nguyen Thien, Vuong; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate","Acta Crystallographica Section E","2019","75","11","1590","1594","10.1107/S2056989019013379","","x-ray","0.71073","MoKα","","0.075","0.0502","","","0.1023","0.1154","","","","","","1.029","","","","has coordinates,has Fobs","219179","2020-10-21","18:00:00",""
"2243128","7.6558","0.0003","11.8961","0.0005","13.5853","0.0004","82.95","0.003","76.072","0.003","76.339","0.004","1164.07","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]","","- C14 H22 Cl6 Hg2 N4 -","- C14 H22 Cl6 Hg2 N4 -","- C28 H44 Cl12 Hg4 N8 -","2","1","VM2222","Garci, Fatma; Ferjani, Hela; Chebbi, Hammouda; Ben Jomaa, Mariem; Zid, Mohamed Faouzi","Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]","Acta Crystallographica Section E","2019","75","11","1600","1606","10.1107/S2056989019013124","","","0.71073","MoKα","","0.0934","0.0549","","","0.1338","0.1525","","","","","","1.03","","","","has coordinates,has Fobs","219180","2020-10-21","18:00:00",""
"2243129","10.201","0.0001","20.026","0.0003","25.2349","0.0004","70.535","0.001","86.852","0.001","82.147","0.001","4814.65","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","Benzyl <i>N</i>'-[(1<i>E</i>,4<i>E</i>)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]hydrazine-1-carbodithioate","","- C27 H26 N2 O2 S2 -","- C27 H26 N2 O2 S2 -","- C216 H208 N16 O16 S16 -","8","4","WM5520","Arif Tawfeeq, Nabeel; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ravoof, Thahira B. S. A.","Crystal structure of benzyl <i>N</i>'-[(1<i>E</i>,4<i>E</i>)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]hydrazine-1-carbodithioate","Acta Crystallographica Section E","2019","75","11","1613","1619","10.1107/S2056989019013458","","","1.54178","CuKα","","0.0585","0.0475","","","0.1229","0.1304","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","219181","2020-10-21","18:00:00",""
"2243130","14.1711","0.0004","6.0546","0.0002","27.7102","0.0008","90","","90","","90","","2377.54","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine","","- C13 H8 Br2 N2 -","- C13 H8 Br2 N2 -","- C104 H64 Br16 N16 -","8","1","WM5525","Khamees, Hussien Ahmed; Chaluvaiah, Kumara; El-khatatneh, Nasseem Ahmed; Swamynayaka, Ananda; Chong, Kwong Huey; Dasappa, Jagadeesh Prasad; Madegowda, Mahendra","Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2019","75","11","1620","1626","10.1107/S2056989019013410","","","0.71073","MoKα","","0.1269","0.0473","","","0.0939","0.1183","","","","","","0.996","","","","has coordinates,has Fobs","219182","2020-10-21","18:00:00",""
"2243131","5.805","0.0003","8.3566","0.0006","8.7433","0.0006","90","","95.148","0.004","90","","422.43","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ethane-1,2-disulfonate monohydrate","Bis(oxonium) ethane-1,2-disulfonate","","- C2 H10 O8 S2 -","- C2 H10 O8 S2 -","- C4 H20 O16 S4 -","2","0.5","LH5920","Mazurek, Jaroslaw; Fernandez-Casares, Ana","The crystal structures of two novel polymorphs of bis(oxonium) ethane-1,2-disulfonate","Acta Crystallographica Section E","2019","75","11","1586","1589","10.1107/S2056989019013367","","","0.71073","MoKα","","0.0415","0.0406","","","0.12","0.1213","","","","","","1.04","","","","has coordinates,has Fobs","219183","2020-10-21","18:00:00",""
"2243132","5.0371","0.0003","5.5424","0.0002","8.8188","0.0004","98.426","0.005","104.511","0.003","91.663","0.004","235.22","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis(oxonium) ethane-1,2-disulfonate","","- C2 H10 O8 S2 -","- C2 H10 O8 S2 -","- C2 H10 O8 S2 -","1","0.5","","Mazurek, Jaroslaw; Fernandez-Casares, Ana","The crystal structures of two novel polymorphs of bis(oxonium) ethane-1,2-disulfonate","Acta Crystallographica Section E","2019","75","11","1586","1589","10.1107/S2056989019013367","","","0.71073","MoKα","","0.0888","0.058","","","0.1468","0.1632","","","","","","1.036","","","","has coordinates,has Fobs","219183","2020-10-21","18:00:00",""
"2243133","6.6055","0.0013","6.883","0.0016","8.5178","0.0019","94.804","0.008","101.306","0.007","108.596","0.007","355.44","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-hydroxido)(μ~2~-1<i>H</i>-pyrazole-3,5-dicarboxylato)gallium(III)] monohydrate]","","- C5 H5 Ga N2 O6 -","- C5 H5 Ga N2 O6 -","- C10 H10 Ga2 N4 O12 -","2","1","SJ5578","Simões, Andrea B.; Figueira, Flávio; Mendes, Ricardo F.; Barbosa, Jéssica S.; Rocha, João; Paz, Filipe A. Almeida","One-dimensional ladder gallium coordination polymer","Acta Crystallographica Section E","2019","75","11","1607","1612","10.1107/S2056989019013446","","","0.71073","MoKα","","0.0367","0.0312","","","0.0719","0.0737","","","","","","1.108","","","","has coordinates,has Fobs","219184","2020-10-21","18:00:00",""
"2243134","9.2298","0.0009","9.0302","0.0009","16.7375","0.0017","90","","97.863","0.001","90","","1381.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(Dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana","Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione and (<i>E</i>)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2019","75","11","1595","1599","10.1107/S205698901901329X","","","0.71073","MoKα","","0.0531","0.0473","","","0.1322","0.1388","","","","","","1.07","","","","has coordinates,has Fobs","219185","2020-10-21","18:00:00",""
"2243135","11.072","0.002","3.9664","0.0008","17.557","0.004","90","","104.5","0.002","90","","746.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-2-{3-[4-(Dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Bogdanov, Georgii; Tillotson, John P.; Timofeeva, Tatiana","Crystal structures, syntheses, and spectroscopic and electrochemical measurements of two push‒pull chromophores: 2-[4-(dimethylamino)benzylidene]-1<i>H</i>-indene-1,3(2<i>H</i>)-dione and (<i>E</i>)-2-{3-[4-(dimethylamino)phenyl]allylidene}-1<i>H</i>-indene-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2019","75","11","1595","1599","10.1107/S205698901901329X","","","0.71073","MoKα","","0.0453","0.0438","","","0.1201","0.1214","","","","","","1.115","","","","has coordinates,has Fobs","219185","2020-10-21","18:00:00",""
"2243136","9.604","0.003","22.785","0.006","11.374","0.003","90","","106.304","0.012","90","","2388.8","1.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2-methoxyethyl xanthato-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) acetone hemisolvate","","- C15.5 H33 N2 O4.5 S4 Zn -","- C14 H30 N2 O4 S4 Zn -","- C56 H120 N8 O16 S16 Zn4 -","4","1","LH5921","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Fritsky, Igor O.","Crystal structure and DFT study of a zinc xanthate complex","Acta Crystallographica Section E","2019","75","11","1582","1585","10.1107/S2056989019013148","","","0.71073","MoKα","","0.0617","0.0395","","","0.0984","0.1049","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","219186","2020-10-21","18:00:00",""
"2243137","5.1593","0.0006","8.6124","0.0009","13.5745","0.0019","90","","97.087","0.004","90","","598.56","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Aminopyridinium hydrogen phthalate","2-Aminopyridinium hydrogen phthalate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","","Siva, V.; Suresh, M.; Athimoolam, S.; Asath Bahadur, S.","Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate","Acta Crystallographica Section E","2019","75","11","1627","1631","10.1107/S2056989019012957","","","0.71073","MoKα","","0.0624","0.0588","","","0.1764","0.1856","","","","","","1.24","","","","has coordinates,has Fobs","219187","2020-10-21","18:00:00",""
"2243138","18.99","0.004","9.364","0.0019","13.636","0.003","90","","90","","90","","2424.8","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[(perchlorato-κ<i>κO</i>)copper(II)]-μ-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^4^,<i>N</i>^5^] bis(perchlorate)]","","- C13 H30 Cl3 Cu N5 O14 -","- C13 H30 Cl3 Cu N5 O14 -","- C52 H120 Cl12 Cu4 N20 O56 -","4","1","HB7857","Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","The first structural characterization of the protonated azacyclam ligand in <i>catena</i>-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)]","Acta Crystallographica Section E","2019","75","11","1700","1704","10.1107/S205698901901377X","","","0.71073","MoKα","","0.1239","0.0695","","","0.1731","0.2151","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","219485","2020-10-21","18:00:00",""
"2243139","9.6979","0.0001","23.6702","0.0003","9.9229","0.0002","90","","92.9125","0.0005","90","","2274.87","0.06","173","2","173","2","","","","","","","","4","I 1 a 1","I -2ya","9","","2-[(2',6'-Dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9<i>H</i>-carbazole","","- C29 H22 N4 O3 -","- C29 H22 N4 O3 -","- C116 H88 N16 O12 -","4","1","","Moon, Suk-Hee; Park, Ki-Min; Kim, Jinho; Kang, Youngjin","Crystal structure and luminescence properties of 2-[(2',6'-dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2019","75","11","1646","1649","10.1107/S2056989019013549","","","0.71073","MoKα","","0.0354","0.0336","","","0.0823","0.0835","","","","","","1.063","","","","has coordinates,has Fobs","219486","2020-10-21","18:00:00",""
"2243140","9.9813","0.0011","10.6074","0.0013","12.1686","0.0015","104.606","0.003","90.709","0.003","103.146","0.003","1210.7","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","Bis(anilinium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","","- C24 H44 Cl14 Mo6 N6 O4 -","- C24 H44 Cl14 Mo6 N6 O4 -","- C24 H44 Cl14 Mo6 N6 O4 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.044","0.0457","","","","","","1.069","","","","has coordinates,has Fobs","219487","2020-10-21","18:00:00",""
"2243141","10.1752","0.0016","10.3227","0.0016","13.736","0.002","95.204","0.004","111.483","0.004","101.973","0.004","1291.1","0.3","200","2","200","","","","","","","","","6","P -1","-P 1","2","","<i>p</i>-Phenylenediammonium octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate <i>N</i>,<i>N</i>-dimethylformamide hexasolvate","","- C24 H52 Cl14 Mo6 N8 O6 -","- C24 H52 Cl14 Mo6 N8 O6 -","- C24 H52 Cl14 Mo6 N8 O6 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.037","0.0259","","","0.0576","0.0621","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","219487","2020-10-21","18:00:00",""
"2243142","9.451","0.002","11.236","0.003","11.712","0.003","64.933","0.006","71.174","0.006","75.44","0.006","1056.7","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(propan-2-iminium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate acetone trisolvate","","- C21 H36 Cl14 Mo6 N2 O3 -","- C21 H36 Cl14 Mo6 N2 O3 -","- C21 H36 Cl14 Mo6 N2 O3 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.0303","0.0252","","","0.0649","0.0681","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","219487","2020-10-21","18:00:00",""
"2243143","9.8252","0.0011","10.0933","0.0011","12.6319","0.0015","107.395","0.003","91.881","0.003","93.309","0.003","1191.8","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","1,1'-Dimethyl-4,4'-bipyridinium octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","","- C24 H42 Cl14 Mo6 N6 O4 -","- C24 H42 Cl14 Mo6 N6 O4 -","- C24 H42 Cl14 Mo6 N6 O4 -","1","0.5","EB2023","Johnston, Dean H.; Agho, Ikponmwosa","Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters","Acta Crystallographica Section E","2019","75","11","1705","1711","10.1107/S205698901901380X","","x-ray","0.71073","MoKα","","0.0239","0.0201","","","0.0472","0.0489","","","","","","1.023","","","","has coordinates,has Fobs","219487","2020-10-21","18:00:00",""
"2243144","14.86462","0.00008","19.3714","0.0001","19.85451","0.00009","102.771","0.0004","100.827","0.0004","99.5778","0.0004","5345.84","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)silver(I)] tris(thiocyanato)argentate(I) diethyl ether disolvate","","- C127 H116 Ag3 N11 O2 S3 -","- C123 H106 Ag3 N11 O S3 -","- C246 H212 Ag6 N22 O2 S6 -","2","1","WM5519","Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge","Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate","Acta Crystallographica Section E","2019","75","11","1657","1663","10.1107/S2056989019013719","","","1.54184","CuKα","","0.0368","0.0298","","","0.0759","0.0803","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","219488","2020-10-21","18:00:00",""
"2243145","13.6265","0.0001","14.7422","0.0001","16.9397","0.0002","106.417","0.0007","112.282","0.0008","96.2211","0.0006","2930.05","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κ^2^<i>Se</i>:<i>Se</i>)bis[bromido(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κ<i>Se</i>)silver(I)] dichloromethane hexasolvate","","- C122 H108 Ag2 Br2 Cl12 N8 Se4 -","- C120 H104 Ag2 Br2 Cl8 N8 Se4 -","- C120 H104 Ag2 Br2 Cl8 N8 Se4 -","1","0.5","WM5519","Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge","Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate","Acta Crystallographica Section E","2019","75","11","1657","1663","10.1107/S2056989019013719","","","0.71073","MoKα","","0.0406","0.0348","","","0.0915","0.0959","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","219488","2020-10-21","18:00:00",""
"2243146","13.7704","0.0003","14.3398","0.0003","28.4102","0.0007","90","","93.024","0.002","90","","5602.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κ<i>Se</i>)copper(I)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>] acetonitrile monosolvate]","","- C32 H27 Cu N4 Se -","- C32 H27 Cu N4 Se -","- C256 H216 Cu8 N32 Se8 -","8","2","WM5519","Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge","Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate","Acta Crystallographica Section E","2019","75","11","1657","1663","10.1107/S2056989019013719","","","0.71073","MoKα","","0.0546","0.048","","","0.1156","0.1193","","","","","","1.062","","","","has coordinates,has Fobs","219488","2020-10-21","18:00:00",""
"2243147","12.8265","0.0013","4.7699","0.0005","13.5033","0.0016","90","","109.713","0.003","90","","777.73","0.15","190","1","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-4-nitrobenzoic acid‒5-nitroquinoline","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5931","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","Acta Crystallographica Section E","2019","75","11","1694","1699","10.1107/S2056989019013896","","","0.71075","MoKα","","0.0759","0.0556","","","0.1487","0.1688","","","","","","1.05","","","","has coordinates,has Fobs","219489","2020-10-21","18:00:00",""
"2243148","7.6682","0.0006","8.6515","0.0008","12.8609","0.001","79.17","0.003","78.968","0.002","70.394","0.003","781.8","0.11","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","","- C16 H10 Cl N3 O6 -","- C16 H10 Cl N3 O6 -","- C32 H20 Cl2 N6 O12 -","2","1","LH5931","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitrobenzoic acid‒5-nitroquinoline (1/1) and 5-chloro-2-nitrobenzoic acid‒5-nitroquinoline (1/1)","Acta Crystallographica Section E","2019","75","11","1694","1699","10.1107/S2056989019013896","","","0.71075","MoKα","","0.0758","0.0517","","","0.132","0.1479","","","","","","1.086","","","","has coordinates,has Fobs","219489","2020-10-21","18:00:00",""
"2243149","6.0464","0.0001","11.7175","0.0003","13.2931","0.0003","95.735","0.001","95.813","0.001","101.78","0.001","910.16","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","1","LH5927","Filali, Mouad; El Ghayati, Lhoussaine; Hökelek, Tuncer; Mague, Joel T.; Ben-Tama, Abdessalam; El Hadrami, El Mestafa; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate","Acta Crystallographica Section E","2019","75","11","1672","1678","10.1107/S2056989019013732","","","1.54178","CuKα","","0.0387","0.0358","","","0.0952","0.0982","","","","","","1.023","","","","has coordinates,has Fobs","219490","2020-10-21","18:00:00",""
"2243150","4.9468","0.0003","5.8712","0.0006","21.353","0.0018","85.019","0.008","84.094","0.006","86.465","0.007","613.68","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2<i>E</i>,2'<i>E</i>)-1,1'-[Selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]","","- C30 H20 Cl2 O2 Se -","- C30 H20 Cl2 O2 Se -","- C30 H20 Cl2 O2 Se -","1","1","","Bouraoui, Hazem; Mechehoud, Youcef; Chetioui, Souheyla; Touzani, Rachid; Medjani, Meriem; Benmilat, Ahmed; Boudjada, Ali","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]","Acta Crystallographica Section E","2019","75","11","1724","1728","10.1107/S2056989019014038","","","0.71073","MoKα","","0.0706","0.0384","","","0.0585","0.0744","","","","","","0.807","","","","has coordinates","219491","2020-10-21","18:00:00",""
"2243151","9.0373","0.0007","16.6798","0.0013","12.511","0.001","90","","95.982","0.002","90","","1875.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>)-4-Benzyl-2-(2,4-dichlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C22 H15 Cl2 N O S -","- C22 H15 Cl2 N O S -","- C88 H60 Cl8 N4 O4 S4 -","4","1","LH5925","Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; El Ghayati, Lhoussaine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2<i>Z</i>)-4-benzyl-2-(2,4-dichlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2019","75","11","1650","1656","10.1107/S2056989019013586","","","1.54178","CuKα","","0.0276","0.0263","","","0.0693","0.0703","","","","","","1.048","","","","has coordinates,has Fobs","219492","2020-10-21","18:00:00",""
"2243152","7.4897","0.0001","26.3607","0.0005","7.0623","0.0001","90","","96.356","0.001","90","","1385.77","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide benzoic acid","2-Chloro-5-nitrobenzoic acid‒nicotinamide (1/1)","","- C13 H10 Cl N3 O5 -","- C13 H10 Cl N3 O5 -","- C52 H40 Cl4 N12 O20 -","4","1","EB2025","Bairagi, Keshab M.; Pal, Priyanka; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Chopra, Deepak; Nayak, Susanta K.","Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid","Acta Crystallographica Section E","2019","75","11","1712","1718","10.1107/S2056989019013859","","","0.71073","MoKα","","0.05","0.0375","","","0.0876","0.0936","","","","","","1.077","","","","has coordinates,has Fobs","219493","2020-10-21","18:00:00",""
"2243153","6.6658","0.0003","30.16","0.0016","7.2193","0.0004","90","","106.088","0.002","90","","1394.53","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(2-chlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran-3-carbonitrile","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","SJ5577","Beemarao, M.; Silambarasan, S.; Nasser, A. Jamal Abdul; Purushothaman, M.; Ravichandran, K.","Crystal structure, DFT and Hirshfeld surface analysis of 2-amino-4-(2-chlorophenyl)-7-hydroxy-4<i>H</i>-benzo[1,2-<i>b</i>]pyran-3-carbonitrile","Acta Crystallographica Section E","2019","75","11","1638","1642","10.1107/S2056989019013537","","","0.71073","MoKα","","0.0638","0.0374","","","0.0863","0.1026","","","","","","1.054","","","","has coordinates,has Fobs","219494","2020-10-21","18:00:00",""
"2243154","10.819","0.003","11.501","0.003","11.187","0.004","90","","90.93","0.03","90","","1391.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-6-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","WM5515","Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine","Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate","Acta Crystallographica Section E","2019","75","11","1679","1684","10.1107/S2056989019013707","","","0.71073","MoKα","","0.1691","0.0563","","","0.0811","0.1043","","","","","","0.877","","","","has coordinates,has Fobs","219495","2020-10-21","18:00:00",""
"2243155","11.273","0.0013","12.3808","0.0009","14.1405","0.0015","90","","92.801","0.009","90","","1971.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydro-pyridazin-1-yl]acetate","","- C20 H16 Cl2 N2 O3 -","- C20 H16 Cl2 N2 O3 -","- C80 H64 Cl8 N8 O12 -","4","1","WM5515","Dadou, Said; Kansiz, Sevgi; Daoui, Said; El Kalai, Fouad; Baydere, Cemile; Saddik, Rafik; Karrouchi, Khalid; Dege, Necmi; Benchat, Noureddine","Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2<i>H</i>)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate","Acta Crystallographica Section E","2019","75","11","1679","1684","10.1107/S2056989019013707","","","0.71073","MoKα","","0.2036","0.0675","","","0.1804","0.2307","","","","","","0.83","","","","has coordinates,has disorder,has Fobs","219495","2020-10-21","18:00:00",""
"2243156","12.5451","0.0013","15.9804","0.0017","19.434","0.002","86.671","0.002","72.369","0.002","74.167","0.002","3570.9","0.6","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","2-(4-Nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one isopropanol 0.25-solvate 0.0625-hydrate","","- C79 H60.5 N12 O13.25 S4 -","- C79 H60.5 N12 O13.25 S4 -","- C158 H121 N24 O26.5 S8 -","2","1","HB7856","Yennawar, Hemant P.; Thompson, Eric N.; Li, Jennie; Silverberg, Lee J.","Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-ones","Acta Crystallographica Section E","2019","75","11","1689","1693","10.1107/S2056989019013781","","","0.71073","MoKα","","0.1313","0.0573","","","0.1297","0.1576","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","219496","2020-10-21","18:00:00",""
"2243157","14.4481","0.0016","9.0141","0.001","16.3427","0.0019","90","","115.481","0.002","90","","1921.4","0.4","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one toluene hemisolvate","","- C22.5 H17 F N2 O S -","- C22.5 H17 F N2 O S -","- C90 H68 F4 N8 O4 S4 -","4","1","HB7856","Yennawar, Hemant P.; Thompson, Eric N.; Li, Jennie; Silverberg, Lee J.","Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-ones","Acta Crystallographica Section E","2019","75","11","1689","1693","10.1107/S2056989019013781","","","0.71073","MoKα","","0.0719","0.0471","","","0.1345","0.151","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","219496","2020-10-21","18:00:00",""
"2243158","7.2716","0.0005","10.4868","0.0006","10.8677","0.0006","65.54","0.004","88.893","0.005","88.378","0.005","754.02","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)nickel(II)","","- C30 H24 N6 Ni O2 S2 -","- C30 H24 N6 Ni O2 S2 -","- C30 H24 N6 Ni O2 S2 -","1","0.5","LH5928","Wellm, Carsten; Näther, Christian","Crystal structure, synthesis and thermal properties of bis(acetonitrile-κ<i>N</i>)bis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2019","75","11","1685","1688","10.1107/S2056989019013756","","","0.71073","MoKα","","0.0629","0.046","","","0.0925","0.0996","","","","","","1.062","","","","has coordinates,has Fobs","219497","2020-10-21","18:00:00",""
"2243159","9.3167","0.001","10.0363","0.001","11.8052","0.0013","92.633","0.009","97.31","0.009","98.67","0.009","1080","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate","","- C21 H15 Cu F6 N2 O5 -","- C21 H15 Cu F6 N2 O5 -","- C42 H30 Cu2 F12 N4 O10 -","2","1","LH5932","Kansiz, Sevgi; Meral, Seher; Dege, Necmi; Agar, Aysen Alaman; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[4-(trifluoromethoxy)phenol]copper(II) hydroquinone hemisolvate","Acta Crystallographica Section E","2019","75","11","1729","1733","10.1107/S2056989019014294","","","0.71073","MoKα","","0.0944","0.0669","","","0.1896","0.2174","","","","","","1.08","","","","has coordinates,has Fobs","221281","2020-10-21","18:00:00",""
"2243160","6.9346","0.0001","8.438","0.0002","16.6963","0.0005","79.826","0.002","89.848","0.002","80.488","0.002","948.03","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","3-[(4-Nitrobenzylidene)amino]-2(<i>R,S</i>)-(4-nitrophenyl)-5(<i>S</i>)-(propan-2-yl)imidazolidin-4-one","","- C19 H19 N5 O5 -","- C19 H19 N5 O5 -","- C38 H38 N10 O10 -","2","2","LH5929","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Souza, Marcus V. N.; da Costa, Cristiane F.","Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitrobenzylidene)amino]-2(<i>R,S</i>)-(4-nitrophenyl)-5(<i>S</i>)-(propan-2-yl)imidazolidin-4-one","Acta Crystallographica Section E","2019","75","11","1774","1782","10.1107/S2056989019013938","","x-ray","1.54178","CuKα","","0.0327","0.0314","","","0.0877","0.0885","","","","","","1.06","","","","has coordinates,has Fobs","221283","2020-10-21","18:00:00",""
"2243161","13.0656","0.0005","12.1787","0.0004","8.3471","0.0003","90","","96.154","0.001","90","","1320.55","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1,2-Bis[2-(methylsulfanyl)phenyl]diazene","","- C14 H14 N2 S2 -","- C14 H14 N2 S2 -","- C56 H56 N8 S8 -","4","1","WM5522","Hoffmann, Jonas; Kuczmera, Thomas J.; Lork, Enno; Staubitz, Anne","Synthesis and crystal structure of (<i>E</i>)-1,2-bis[2-(methylsulfanyl)phenyl]diazene","Acta Crystallographica Section E","2019","75","11","1808","1811","10.1107/S2056989019014592","","x-ray","0.71073","MoKα","","0.0412","0.0337","","","0.0842","0.0889","","","","","","1.035","","","","has coordinates,has Fobs","221285","2020-10-21","18:00:00",""
"2243162","16.9368","0.0005","15.413","0.0004","18.4562","0.0006","90","","109.254","0.004","90","","4548.4","0.3","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-\ dihydroquinolin-1-yl}acetate","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","LH5924","Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate","Acta Crystallographica Section E","2019","75","11","1753","1758","10.1107/S2056989019014154","","","1.54184","CuKα","","0.0634","0.0453","","","0.1303","0.1435","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","221287","2020-10-21","18:00:00",""
"2243163","13.2138","0.0002","14.1981","0.0002","17.537","0.0002","82.696","0.001","80.002","0.001","80.784","0.001","3181.6","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","μ-Aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-diphenylacetato-κ^4^<i>O</i>:<i>O</i>'-bis[(diphenylacetato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)nickel(II)]","","- C76 H66 N4 Ni2 O9 -","- C76 H66 N4 Ni2 O9 -","- C152 H132 N8 Ni4 O18 -","2","1","SU5519","Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.","Crystal structures of two dimeric nickel diphenylacetate complexes","Acta Crystallographica Section E","2019","75","11","1768","1773","10.1107/S2056989019014063","","x-ray","1.54184","CuKα","","0.036","0.0337","","","0.0859","0.0875","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","221289","2020-10-21","18:00:00",""
"2243164","15.6064","0.0003","17.744","0.0004","17.9143","0.0004","70.462","0.002","69.631","0.002","64.726","0.002","4103.17","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","μ-Aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-diphenylacetato-κ^4^<i>O</i>:<i>O</i>'-\ bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(diphenylacetato-κ<i>O</i>)\ nickel(II)]‒acetonitrile‒diphenylacetic acid (1/2.5/1)","","- C95 H81.5 N6.5 Ni2 O11 -","- C95 H81.5 N6.5 Ni2 O11 -","- C190 H163 N13 Ni4 O22 -","2","1","SU5519","Nikiforov, A. A.; Blinou, D. O.; Dubrov, E. N.; Panina, N. S.; Ponyaev, A. I.; Gurzhiy, V. V.; Eremin, A. V.; Fischer, A. I.","Crystal structures of two dimeric nickel diphenylacetate complexes","Acta Crystallographica Section E","2019","75","11","1768","1773","10.1107/S2056989019014063","","x-ray","1.54184","CuKα","","0.043","0.0384","","","0.1007","0.1033","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","221289","2020-10-21","18:00:00",""
"2243165","26.84","0.005","4.83","0.001","18.62","0.004","90","","119.91","0.03","90","","2092.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[(2-ethoxypyrazine-κ<i>N</i>)copper(I)]-di-μ~2~-cyanido] [copper(I)-μ~2~-cyanido]]","","- C8 H8 Cu2 N4 O -","- C8 H8 Cu2 N4 O -","- C64 H64 Cu16 N32 O8 -","8","1","RZ5265","Partsevska, Sofiia V.; Sirenko, Valerii Y.; Terebilenko, Kateryna V.; Malinkin, Sergey O.; Gural'skiy, Il'ya A.","Crystal structure of <i>catena</i>-poly[[[(2-ethoxypyrazine-κ<i>N</i>)copper(I)]-di-μ~2~-cyanido] [copper(I)-μ~2~-cyanido]]","Acta Crystallographica Section E","2019","75","11","1797","1800","10.1107/S205698901901452X","","","0.71073","MoKα","","0.0988","0.0445","","","0.0805","0.0911","","","","","","0.843","","","","has coordinates,has disorder,has Fobs","221291","2020-10-21","18:00:00",""
"2243166","7.9134","0.0005","8.3006","0.0005","12.6413","0.0008","97.873","0.004","91.62","0.004","91.991","0.005","821.57","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(<i>N</i>,<i>N</i>-diethylformamide)(μ~4~-naphthalene-2,6-dicarboxylato)(μ~2~-naphthalene-2,6-dicarboxylato)dizinc(II)]","","- C17 H17 N O5 Zn -","- C17 H17 N O5 Zn -","- C34 H34 N2 O10 Zn2 -","2","1","ZL2761","Saffon-Merceron, Nathalie; Vigroux, Alain; Hoffmann, Pascal","Crystal structure of a two-dimensional coordination polymer of formula [Zn(NDC)(DEF)] (H~2~NDC is naphthalene-2,6-dicarboxylic acid and DEF is <i>N</i>,<i>N</i>-diethylformamide)","Acta Crystallographica Section E","2019","75","11","1759","1762","10.1107/S2056989019014142","","","0.71073","MoKα","","0.0727","0.0419","","","0.0715","0.081","","","","","","1.001","","","","has coordinates,has disorder","221293","2020-10-21","18:00:00",""
"2243167","4.9411","0.0008","16.139","0.002","16.426","0.003","90","","100.44","0.007","90","","1288.2","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-({2-[Azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}\ methyl)benzene-1,4-diol sulfate","","- C9 H13 N3 O6 S2 -","- C9 H13 N3 O6 S2 -","- C36 H52 N12 O24 S8 -","4","1","LH5926","Nehar, Oussama; Louhibi, Samira; Roisnel, Thierry","Synthesis and crystal structure of (<i>E</i>)-2-({2-[azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}methyl)benzene-1,4-diol hydrogen sulfate","Acta Crystallographica Section E","2019","75","11","1738","1740","10.1107/S2056989019014233","","x-ray","0.71073","MoKα","","0.0763","0.0497","","","0.1277","0.1467","","","","","","1.034","","","","has coordinates,has disorder","221295","2020-10-21","18:00:00",""
"2243168","10.9171","0.0003","9.1262","0.0002","15.2539","0.0003","90","","108.618","0.003","90","","1440.24","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxybenzylidene)-6,7,8,9-tetrahydro-5<i>H</i>-benzo[7]annulen-5-one","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","0.71073","MoKα","","0.0445","0.0373","","","0.0886","0.093","","","","","","1.027","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243169","12.6208","0.0002","14.9969","0.00017","8.39151","0.00012","90","","108.681","0.0017","90","","1504.61","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(4-Ethoxybenzylidene)-6,7,8,9-tetrahydro-5<i>H</i>-benzo[7]annulen-5-one","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0368","0.0339","","","0.0895","0.0921","","","","","","1.044","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243170","9.287","0.0002","9.8727","0.0002","12.2944","0.0003","67.098","0.003","81.472","0.002","61.989","0.003","915.92","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(4-Benzylbenzylidene)-6,7,8,9-tetrahydro-5<i>H</i>-benzo[7]annulen-5-one","","- C25 H22 O2 -","- C25 H22 O2 -","- C50 H44 O4 -","2","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0339","0.0317","","","0.0782","0.0797","","","","","","1.068","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243171","10.6273","0.0005","11.6191","0.0004","12.1114","0.0005","90","","108.777","0.004","90","","1415.92","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorobenzylidene)-6,7,8,9-tetrahydro-5<i>H</i>-benzo[7]annulen-5-one","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C72 H60 Cl4 O4 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0599","0.0549","","","0.1609","0.1652","","","","","","1.113","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243172","12.4725","0.0004","7.1718","0.0002","15.9983","0.0005","90","","106.12","0.003","90","","1374.79","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Cyanobenzylidene)-6,7,8,9-tetrahydro-5<i>H</i>-benzo[7]annulen-5-one","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","EB2024","Seaman, Lewis S.; da Costa, Cristiane F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Harrison, William T. A.","Different packing motifs mediated by weak interactions and polymorphism in the crystal structures of five 2-(benzylidene)benzosuberone derivatives","Acta Crystallographica Section E","2019","75","11","1741","1747","10.1107/S2056989019014245","","","1.54184","CuKα","","0.0707","0.0679","","","0.1774","0.181","","","","","","1.055","","","","has coordinates,has Fobs","221297","2020-10-21","18:00:00",""
"2243173","6.1907","0.0001","7.201","0.0002","12.4919","0.0003","90.31","0.001","94.587","0.001","111.087","0.001","517.57","0.02","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(4-carboxybenzenesulfonato)copper(II) dihydrate","","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","1","0.5","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0212","0.0196","","","0.0561","0.0568","","","","","","1.136","","","","has coordinates,has Fobs","221299","2020-10-21","18:00:00",""
"2243174","6.438","0.0013","7.2431","0.0014","12.088","0.002","72.6","0.03","77.2","0.03","82.13","0.03","523","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquacopper(II) 4-carboxybenzenesulfonate","","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","- C14 H22 Cu O16 S2 -","1","0.5","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0672","0.0585","","","0.1349","0.1388","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","221299","2020-10-21","18:00:00",""
"2243175","19.436","0.003","15.644","0.003","5.3355","0.0009","90","","95.651","0.002","90","","1614.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Silver potassium 4-carboxybenzenesulfonate","","- C7 H5 Ag0.69 K0.31 O5 S -","- C7 H5 Ag0.69 K0.31 O5 S -","- C56 H40 Ag5.52 K2.48 O40 S8 -","8","1","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0205","0.0168","","","0.0413","0.0427","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","221299","2020-10-21","18:00:00",""
"2243176","12.8018","0.0007","9.917","0.0006","8.4013","0.0005","90","","94.747","0.001","90","","1062.93","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium silver 4-carboxybenzenesulfonate salt dihydrate","","- C7 H9 Ag0.2 K0.8 O7 S -","- C7 H9 Ag0.2 K0.8 O7 S -","- C28 H36 Ag0.8 K3.2 O28 S4 -","4","1","MW2148","Squattrito, Philip J.; Lambright-Mutthamsetty, Kelly J.; Giolando, Patrick A.; Kirschbaum, Kristin","Crystal structures of two coordination isomers of copper(II) 4-sulfobenzoic acid hexahydrate and two mixed silver/potassium 4-sulfobenzoic acid salts","Acta Crystallographica Section E","2019","75","11","1801","1807","10.1107/S2056989019014610","","","0.71073","MoKα","","0.0327","0.0251","","","0.0599","0.0633","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","221299","2020-10-21","18:00:00",""
"2243177","7.6695","0.0012","10.6867","0.0018","12.2767","0.0019","64.686","0.004","80.76","0.004","70.395","0.004","856.7","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","2-(2-Bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2<i>H</i>-thiochromene","","- C17 H13 Br F N O3 S -","- C17 H13 Br F N O3 S -","- C34 H26 Br2 F2 N2 O6 S2 -","2","1","VM2223","Pham, Chien Thang; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2<i>H</i>-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-methoxy-3-nitro-2<i>H</i>-thiochromene","Acta Crystallographica Section E","2019","75","11","1783","1786","10.1107/S2056989019014178","","","0.71073","MoKα","","0.0859","0.0522","","","0.1148","0.1276","","","","","","1.043","","","","has coordinates,has Fobs","221301","2020-10-21","18:00:00",""
"2243178","7.6231","0.0004","17.3484","0.0008","11.8345","0.0006","90","","106.016","0.002","90","","1504.35","0.13","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(2-Bromo-5-fluorophenyl)-7-methoxy-3-nitro-2<i>H</i>-thiochromene","","- C16 H11 Br F N O3 S -","- C16 H11 Br F N O3 S -","- C64 H44 Br4 F4 N4 O12 S4 -","4","1","VM2223","Pham, Chien Thang; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2<i>H</i>-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-methoxy-3-nitro-2<i>H</i>-thiochromene","Acta Crystallographica Section E","2019","75","11","1783","1786","10.1107/S2056989019014178","","","0.71073","MoKα","","0.0439","0.0288","","","0.0637","0.07","","","","","","1.043","","","","has coordinates,has Fobs","221301","2020-10-21","18:00:00",""
"2243179","6.0828","0.0009","9.4246","0.0013","11.1724","0.0016","75.838","0.011","83.099","0.012","84.059","0.011","614.7","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-6-(4-Hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2<i>H</i>)-\ one","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","WM5521","Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2019","75","11","1734","1737","10.1107/S2056989019014130","","","0.71073","MoKα","","0.097","0.0558","","","0.1271","0.1472","","","","","","1.003","","","","has coordinates,has Fobs","221303","2020-10-21","18:00:00",""
"2243180","14.0309","0.0016","9.6335","0.0011","16.5804","0.0019","90","","109.23","0.005","90","","2116.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]","","- C36 H40 N4 Ni3 O16 -","- C36 H40 N4 Ni3 O16 -","- C72 H80 N8 Ni6 O32 -","2","0.5","EX2025","Ajpi, Cesario; Suescun, Leopoldo; Leiva, Naviana; Lundblad, Anders; Lindbergh, Göran; Cabrera, Saul","Crystal structure and Hirshfeld surface analysis of poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network","Acta Crystallographica Section E","2019","75","12","1839","1843","10.1107/S2056989019014658","","","1.54178","CuKα","","0.0419","0.0334","","","0.0867","0.0917","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","225415","2020-10-21","18:00:00",""
"2243181","11.8348","0.0003","11.3208","0.0003","10.6531","0.0003","90","","110.275","0.003","90","","1338.86","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~6~-oxalato)(oxomium)(μ~5~-2-aminobenzene-1,4-dicarboxylato)europium(III)]","","- C10 H6.02 Eu N1.01 O9 -","- C10 H6.024 Eu N1.012 O9 -","- C40 H24.096 Eu4 N4.048 O36 -","4","1","JJ2217","Thammakan, Supaphorn; Panyarat, Kitt; Rujiwatra, Apinpus","Organically pillared layer framework of [Eu(NH~2~‒BDC)(ox)(H~3~O)]","Acta Crystallographica Section E","2019","75","12","1833","1838","10.1107/S2056989019014713","","","0.71073","MoKα","","0.0354","0.0279","","","0.0628","0.0668","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","225416","2020-10-21","18:00:00",""
"2243182","9.5353","0.0007","10.1962","0.0008","14.6331","0.001","95.975","0.002","91.255","0.002","114.847","0.002","1280.58","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Diiodido(η^5^-pentamethylcyclopentadienyl)bis(trimethylphosphane)\ iridiumzinc(<i>Ir</i>—<i>Zn</i>) benzene hemisolvate","","- C19 H36 I2 Ir P2 Zn -","- C19 H36 I2 Ir P2 Zn -","- C38 H72 I4 Ir2 P4 Zn2 -","2","1","ZL2763","Taullaj, Fioralba; Lough, Alan J.; Fekl, Ulrich","An iridium complex with an unsupported Ir—Zn bond: diiodido(η^5^-pentamethylcyclopentadienyl)bis(trimethylphosphane)iridiumzinc(<i>Ir</i>—<i>Zn</i>) benzene hemisolvate","Acta Crystallographica Section E","2019","75","12","1824","1827","10.1107/S2056989019014622","","","0.71073","MoKα","","0.0566","0.0397","","","0.1071","0.1161","","","","","","1.133","","","","has coordinates,has Fobs","225417","2020-10-21","18:00:00",""
"2243183","11.4868","0.0002","8.6444","0.0002","11.5561","0.0002","90","","91.3762","0.0016","90","","1147.15","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4,6-Dimethyl-2-[(2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl)sulfanyl]pyrimidine","","- C20 H26 N2 O9 S -","- C20 H26 N2 O9 S -","- C40 H52 N4 O18 S2 -","2","1","HB7861","Abu-Zaied, Mamdouh A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-[(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]pyrimidine","Acta Crystallographica Section E","2019","75","12","1820","1823","10.1107/S205698901901449X","","","0.71073","MoKα","","0.0301","0.0281","","","0.0716","0.0728","","","","","","1.04","","","","has coordinates,has Fobs","225418","2020-10-21","18:00:00",""
"2243184","13.2904","0.0002","10.2785","0.0002","14.4968","0.0003","90","","100.254","0.0009","90","","1948.71","0.06","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[5-(2-methoxyphenyl)-2<i>H</i>-tetrazol-2-yl]butane","","- C20 H22 N8 O2 -","- C20 H22 N8 O2 -","- C80 H88 N32 O8 -","4","1","FY2138","Byun, Young Min; Ume, Farwa; Ryu, Ji Yeon; Lee, Junseong; Park, Hyoung-Ryun","Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2<i>H</i>-tetrazol-2-yl]butane","Acta Crystallographica Section E","2019","75","12","1844","1847","10.1107/S2056989019014877","","","0.71073","MoKα","","0.0433","0.0373","","","0.0935","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","225419","2020-10-21","18:00:00",""
"2243185","12.634","0.003","4.9426","0.001","16.778","0.003","90","","100.53","0.03","90","","1030.1","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzo[<i>h</i>]quinoline-3-carboxamide","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","SJ5580","Grathwol, Christoph W.; Chrysochos, Nicolas; Elvers, Benedict J.; Link, Andreas; Schulzke, Carola","Crystal structure of benzo[<i>h</i>]quinoline-3-carboxamide","Acta Crystallographica Section E","2019","75","12","1828","1832","10.1107/S2056989019014440","","","0.71073","MoKα","","0.1197","0.0548","","","0.1313","0.1666","","","","","","0.979","","","","has coordinates,has Fobs","225420","2020-10-21","18:00:00",""
"2243186","12.6336","0.0008","7.0701","0.0003","33.5956","0.0015","90","","90","","90","","3000.8","0.3","190","1","190","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1)‒4-hydroxyquinolinium 4-chloro-2-nitrobenzoate","","- C16 H11 Cl N2 O5 -","- C16 H11 Cl N2 O5 -","- C128 H88 Cl8 N16 O40 -","8","1","LH5935","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structure of 4-chloro-2-nitrobenzoic acid with 4-hydroxyquinoline: a disordered structure over two states of 4-chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1) and 4-hydroxyquinolinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2019","75","12","1853","1856","10.1107/S205698901901497X","","","0.71075","MoKα","","0.0631","0.0456","","","0.1185","0.1362","","","","","","1.13","","","","has coordinates,has Fobs","225421","2020-10-21","18:00:00",""
"2243187","21.673","0.004","28.296","0.006","9.7466","0.0019","90","","90","","90","","5977","2","83","2","83","2","","","","","","","","5","F d d 2","F 2 -2d","43","tBu2Si{O(Me)ZrCp2}2","(μ-Di-<i>tert</i>-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]","","- C30 H44 O2 Si Zr2 -","- C30 H44 O2 Si Zr2 -","- C240 H352 O16 Si8 Zr16 -","8","0.5","HB4319","Berg, David J.; Gajecki, Leah; Hill, Hunter; Twamley, Brendan","(μ-Di-<i>tert</i>-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]","Acta Crystallographica Section E","2019","75","12","1848","1852","10.1107/S2056989019014762","","","0.71073","MoKα","","0.0241","0.0236","","","0.0549","0.0551","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","225422","2020-10-21","18:00:00",""
"2243198","22.869","0.004","8.3212","0.0012","12.5627","0.0019","90","","115.348","0.004","90","","2160.5","0.6","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2-methoxyethyl xanthato-κ<i>S</i>)zinc(II)","","- C18 H22 N2 O4 S4 Zn -","- C18 H22 N2 O4 S4 Zn -","- C72 H88 N8 O16 S16 Zn4 -","4","0.5","LH5934","Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Safyanova, Inna S.","Crystal structure and Hirshfeld surface analysis of a zinc xanthate complex containing the 2,2'-bipyridine ligand","Acta Crystallographica Section E","2019","75","12","1857","1860","10.1107/S2056989019014968","","","0.71073","MoKα","","0.0934","0.0865","","","0.1525","0.1547","","","","","","1.429","","","","has coordinates,has Fobs","227696","2020-10-21","18:00:00",""
"2243199","6.9932","0.0005","16.2916","0.0009","9.3544","0.0007","90","","110.168","0.006","90","","1000.4","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-[(<i>E</i>)-2-(Thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","MW2150","Daoui, Said; Çınar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure, Hirshfeld surface analysis and DFT studies of 6-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2019","75","12","1880","1883","10.1107/S2056989019015147","","","0.71073","MoKα","","0.0657","0.0446","","","0.1265","0.1346","","","","","","1.022","","","","has coordinates,has Fobs","227940","2020-10-21","18:00:00",""
"2243200","9.4973","0.0013","7.9733","0.0011","26.682","0.004","90","","90","","90","","2020.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetyl-8-methoxy-2<i>H</i>-chromen-2-one","","- C12 H10 O4 -","- C12 H10 O4 -","- C96 H80 O32 -","8","1","DX2020","Gonzalez-Carrillo, Gabino; Muñiz-Valencia, Roberto; García-Báez, Efren V.; Martínez-Martínez, Francisco J.","Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2019","75","12","1866","1870","10.1107/S2056989019015159","","","0.71073","MoKα","","0.0573","0.0411","","","0.1105","0.1159","","","","","","1.101","","","","has coordinates,has Fobs","227943","2020-10-21","18:00:00",""
"2243201","10.1068","0.0005","8.8168","0.0006","16.2628","0.0009","90","","90","","90","","1449.17","0.15","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","Pyridinium tetraisothiocyanatobis(pyridine)chromium(III) pyridine monosolvate","","- C24 H21 Cr N8 S4 -","- C24 H21 Cr N8 S4 -","- C48 H42 Cr2 N16 S8 -","2","0.5","LH5933","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate","Acta Crystallographica Section E","2019","75","12","1875","1879","10.1107/S2056989019014488","","","0.71073","MoKα","","0.0667","0.0428","","","0.0924","0.1056","","","","","","1.024","","","","has coordinates,has Fobs","227944","2020-10-21","18:00:00",""
"2243202","15.6801","0.0008","7.4311","0.0003","15.5968","0.0008","90","","111.424","0.006","90","","1691.77","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","SJ5585","Vu Quoc, Trung; Tran Thi Thuy, Duong; Phung Ngoc, Thanh; Vu Quoc, Manh; Nguyen, Hien; Duong Khanh, Linh; Tu Quang, Anh; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2019","75","12","1861","1865","10.1107/S2056989019015081","","x-ray","0.71073","MoKα","","0.0722","0.061","","","0.1761","0.1871","","","","","","1.053","","","","has coordinates,has Fobs","227945","2020-10-21","18:00:00",""
"2243203","23.401","0.0017","10.6604","0.0008","33.543","0.002","90","","91.964","0.001","90","","8362.9","1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-\ κ<i>O</i>)europium methanol monosolvate","","- C78 H126 Eu O18 P3 -","- C78 H126 Eu O18 P3 -","- C312 H504 Eu4 O72 P12 -","4","1","SU5526","Kalugin, Alexey E.; Lyssenko, Konstantin A.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Puntus, Lada N.; Varaksina, Evgenia A.; Nifant'ev, Ilya E.","Crystal structure of tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)europium methanol monosolvate","Acta Crystallographica Section E","2019","75","12","1892","1896","10.1107/S2056989019015421","","","0.71073","MoKα","","0.0679","0.0487","","","0.0861","0.0914","","","","","","1.157","","","","has coordinates,has disorder,has Fobs","231077","2020-10-21","18:00:00",""
"2243204","8.98884","0.00006","17.01605","0.0001","8.67653","0.00005","90","","90","","90","","1327.11","0.014","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","Triammonium dialuminium tris(phosphate)","","- Al2 H12 N3 O12 P3 -","- Al2 H12 N3 O12 P3 -","- Al8 H48 N12 O48 P12 -","4","1","WM5528","Nicholas, Christopher P.; Mowat, John P.S.; Broach, Robert W.","Structure refinement of (NH~4~)~3~Al~2~(PO~4~)~3~ prepared by ionothermal synthesis in phosphonium based ionic liquids ‒ a redetermination","Acta Crystallographica Section E","2019","75","12","1897","1901","10.1107/S2056989019015330","powder diffraction","x-ray","0.373811","synchrotron","","","","","","","","","","1.69","","","","","","","has coordinates","231078","2020-10-21","18:00:00",""
"2243205","8.973","0.0005","20.9171","0.0009","23.9201","0.0011","90","","90","","90","","4489.5","0.4","104","2","104","7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","jatrophan","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>,15<i>R</i>)-2,3,8,9-Tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(<i>E</i>)-diene","","- C46 H56 O15 -","- C46 H56 O15 -","- C184 H224 O60 -","4","1","FY2141","Yang, Hequn; Zhao, Jiangyu; Talipov, Samat; Izotova, Lidiya; Aisa, Hadji Akbar; Ibragimov, Bakhtiyar","Crystal and molecular structure of jatrophane diterpenoid (2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>,15<i>R</i>)-2,3,8,9-tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(<i>E</i>)-diene","Acta Crystallographica Section E","2019","75","12","1884","1887","10.1107/S205698901901541X","","","1.54184","CuKα","","0.0793","0.0563","","","0.136","0.1534","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","231079","2020-10-21","18:00:00",""
"2243206","3.851","0.0002","22.2541","0.0011","13.7837","0.0009","90","","96.766","0.005","90","","1173.04","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Hydroxybenzylidene)chroman-4-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","RZ5266","Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena","Crystal structures of (<i>E</i>)-3-(4-hydroxybenzylidene)chroman-4-one and (<i>E</i>)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one","Acta Crystallographica Section E","2019","75","12","1907","1913","10.1107/S2056989019015639","","","0.71073","MoKα","","0.0874","0.0483","","","0.1044","0.1151","","","","","","1.025","","","","has coordinates,has Fobs","231199","2020-10-21","18:00:00",""
"2243207","5.3969","0.0006","11.6576","0.0016","12.944","0.002","91.992","0.012","98.282","0.01","97.568","0.01","797.66","0.19","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(3-Hydroxybenzylidene)-2-phenylchroman-4-one","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","RZ5266","Suchojad, Kamil; Dołega, Anna; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Małecka, Magdalena","Crystal structures of (<i>E</i>)-3-(4-hydroxybenzylidene)chroman-4-one and (<i>E</i>)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one","Acta Crystallographica Section E","2019","75","12","1907","1913","10.1107/S2056989019015639","","","0.71073","MoKα","","0.1371","0.0676","","","0.1679","0.1999","","","","","","0.944","","","","has coordinates,has Fobs","231199","2020-10-21","18:00:00",""
"2243208","7.312","0.002","8.847","0.003","11.039","0.003","100.05","0.007","102.247","0.006","104.314","0.007","656.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4-Bis([2,2':6',2''-terpyridin]-4'-yl)benzene","","- C36 H24 N6 -","- C36 H24 N6 -","- C36 H24 N6 -","1","0.5","SU5525","Sedykh, Alexander E.; Kurth, Dirk G.; Müller-Buschbaum, Klaus","The crystal structure of the triclinic polymorph of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene","Acta Crystallographica Section E","2019","75","12","1947","1951","10.1107/S2056989019015810","","","0.71073","MoKα","","0.083","0.0465","","","0.1188","0.1334","","","","","","1.09","","","","has coordinates,has Fobs","244827","2020-10-21","18:00:00",""
"2243209","7.1507","0.0003","8.8177","0.0004","15.4602","0.0007","90","","97.914","0.002","90","","965.52","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","LH5936","Saber, Asmaa; Srhir, Mohamed; Hökelek, Tuncer; Mague, Joel T.; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2019","75","12","1940","1946","10.1107/S2056989019015779","","","1.54178","CuKα","","0.0355","0.0329","","","0.0831","0.0856","","","","","","1.06","","","","has coordinates,has Fobs","244828","2020-10-21","18:00:00",""
"2243210","8.4213","0.0007","9.0739","0.0009","12.2238","0.0012","106.501","0.008","92.39","0.008","100.75","0.008","875.43","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[5-(4-Methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetic acid","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","","Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Mahi, Lhassane; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetic acid","Acta Crystallographica Section E","2019","75","12","1925","1929","10.1107/S2056989019015317","","","0.71073","MoKα","","0.0767","0.0461","","","0.1187","0.1298","","","","","","1.014","","","","has coordinates,has Fobs","244829","2020-10-21","18:00:00",""
"2243211","8.4766","0.0002","9.4841","0.0002","16.9904","0.0003","90","","94.308","0.001","90","","1362.05","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>S</i>,3<i>R</i>)-3-(3-amino-1<i>H</i>-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","TX2015","Ben Ali, Abdelkader; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2<i>S</i>,3<i>R</i>)-3-(3-amino-1<i>H</i>-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate","Acta Crystallographica Section E","2019","75","12","1919","1924","10.1107/S2056989019015743","","","1.54178","CuKα","","0.0356","0.0325","","","0.0813","0.084","","","","","","1.052","","","","has coordinates,has Fobs","244830","2020-10-21","18:00:00",""
"2243212","8.2301","0.0005","10.1593","0.0006","15.9428","0.0009","102.496","0.005","90.597","0.005","103.213","0.005","1264.46","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","2","MW2151","Doğan, Onur Erman; Dege, Necmi; Ağar, Erbil; Fritsky, Igor O.","(<i>E</i>)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2019","75","12","1930","1933","10.1107/S2056989019015718","","","0.71073","MoKα","","0.0696","0.0383","","","0.0733","0.0812","","","","","","0.974","","","","has coordinates,has Fobs","244831","2020-10-21","18:00:00",""
"2243213","28.3247","0.0007","28.3247","0.0007","7.282","0.0002","90","","90","","90","","5842.3","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","1-(2,7-Dimethylimidazo[1,2-<i>a</i>]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate","","- C14 H16 N2 O2 S2 -","- C14 H16 N2 O2 S2 -","- C224 H256 N32 O32 S32 -","16","1","VM2224","Bibila Mayaya Bisseyou, Yvon; Ouattara, Mahama; Soro, Pénétjiligué Adama; Yao-Kakou, R. C. A.; Tenon, Abodou Jules","Crystal structure, Hirshfeld surface analysis and contact enrichment ratios of 1-(2,7-dimethylimidazo[1,2-<i>a</i>]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate","Acta Crystallographica Section E","2019","75","12","1934","1939","10.1107/S2056989019015755","","","0.71073","MoKα","","0.0591","0.036","","","0.0884","0.1021","","","","","","1.041","","","","has coordinates,has disorder","244832","2020-10-21","18:00:00",""
"2243606","8.8455","0.0005","16.4492","0.0009","11.2721","0.0006","90","","97.338","0.001","90","","1626.67","0.15","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bis(dimethylammonium) [(μ~4~-2,5-dihydroxybenzene-1,4-diphosphonato)zinc(II)]]","","- C10 H20 N2 O8 P2 Zn -","- C10 H20 N2 O8 P2 Zn -","- C40 H80 N8 O32 P8 Zn4 -","4","1","HB7847","Soriano, Josemaria S.; Galeas, Bryan E.; Garrett, Paul; Flores, Ryan A.; Pinedo, Juan L.; Kohlgruber, Tsuyoshi A.; Felton, Daniel; Adelani, Pius O.","<i>In situ</i> decarbonylation of <i>N</i>,<i>N</i>-dimethylformamide to form dimethylammonium cations in the hybrid framework compound {[(CH~3~)~2~NH~2~]~2~[Zn{O~3~PC~6~H~2~(OH)~2~PO~3~}]}~<i>n~</i>","Acta Crystallographica Section E","2019","75","10","1540","1543","10.1107/S2056989019012969","","","0.71073","MoKα","","0.0273","0.0219","","","0.0573","0.0596","","","","","","1.052","","","","has coordinates,has Fobs","256849","2020-10-21","18:00:00",""
"2243607","14.2567","0.0003","39.028","0.0007","15.2295","0.0003","90","","100.136","0.001","90","","8341.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzo[1,2-<i>c</i>:3,4-<i>c</i>':5,6-<i>c</i>'']trithiophene‒7,7,8,8-tetracyanoquinodimethane","","- C24 H10 N4 S3 -","- C24 H10 N4 S3 -","- C384 H160 N64 S48 -","16","4","ZL2760","Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.","Crystal structures of two charge‒transfer complexes of benzo[1,2-<i>c</i>:3,4-<i>c</i>':5,6-<i>c</i>'']trithiophene (<i>D</i>~3<i>h~</i>-BTT)","Acta Crystallographica Section E","2019","75","10","1573","1577","10.1107/S2056989019013161","","","1.54178","CuKα","","0.0611","0.0437","","","0.1018","0.1122","","","","","","1.03","","","","has coordinates,has Fobs","256850","2020-10-21","18:00:00",""
"2243608","10.0139","0.0006","17.4327","0.001","13.0286","0.0008","90","","108.816","0.002","90","","2152.8","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Benzo[1,2-<i>c</i>:3,4-<i>c</i>':5,6-<i>c</i>'']trithiophene‒\ buckminsterfullerene‒toluene","","- C79 H14 S3 -","- C79 H14 S3 -","- C158 H28 S6 -","2","1","ZL2760","Qin, Qian; Mague, Joel T.; Gould, Haley E.; Vasquez, Samuel E.; Heyer, Anthony E.","Crystal structures of two charge‒transfer complexes of benzo[1,2-<i>c</i>:3,4-<i>c</i>':5,6-<i>c</i>'']trithiophene (<i>D</i>~3<i>h~</i>-BTT)","Acta Crystallographica Section E","2019","75","10","1573","1577","10.1107/S2056989019013161","","","1.54178","CuKα","","0.0449","0.0417","","","0.1085","0.1122","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","256850","2020-10-21","18:00:00",""
"2243609","14.6899","0.0004","15.025","0.0003","12.2269","0.0003","90","","106.843","0.0015","90","","2582.9","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]bis(nitrato-κ<i>O</i>)cadmium(II)","","- C26 H22 Cd N8 O6 -","- C26 H22 Cd N8 O6 -","- C104 H88 Cd4 N32 O24 -","4","0.5","IS5523","Kim, Yongtae; Kang, Sung Kwon","Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]bis(nitrato-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section E","2019","75","10","1463","1466","10.1107/S2056989019012416","","","0.71073","MoKα","","0.0414","0.0346","","","0.0753","0.0784","","","","","","1.058","","","","has coordinates,has Fobs","256851","2020-10-21","18:00:00",""
"2243610","27.2823","0.0014","19.7693","0.0012","9.9674","0.0005","90","","94.614","0.007","90","","5358.5","0.5","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ~2~-tris[4-(pyridin-3-yl)phenyl]amine-κ^2^<i>N</i>:<i>N</i>'] tetrahydrofuran monosolvate]","","- C67 H54 N4 O5 Zn -","- C67 H54 N4 O5 Zn -","- C268 H216 N16 O20 Zn4 -","4","1","IS5520","Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki","Crystal structure of <i>catena</i>-poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ~2~-tris[4-(pyridin-3-yl)phenyl]amine-κ^2^<i>N</i>:<i>N</i>'] tetrahydrofuran monosolvate]","Acta Crystallographica Section E","2019","75","10","1432","1435","10.1107/S2056989019012350","","","0.71075","MoKα","","0.0959","0.0575","","","0.1152","0.1284","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","256852","2020-10-21","18:00:00",""
"2243611","12.9858","0.0003","5.2162","0.0001","6.6804","0.0002","90","","90","","90","","452.507","0.019","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","barium zinc copper","","- Ba Cu2.6 Zn2.4 -","- Ba Cu2.6 Zn2.4 -","- Ba4 Cu10.4 Zn9.6 -","4","0.5","VN2152","Simura, Rayko; Yamane, Hisanori","α-SrZn~5~-Type solid solution, BaZn~2.6~Cu~2.4~","Acta Crystallographica Section E","2019","75","10","1490","1493","10.1107/S2056989019012532","","","0.71073","MoKα","","0.0207","0.0173","","","0.0309","0.0322","","","","","","1.173","","","","has coordinates,has Fobs","256853","2020-10-21","18:00:00",""
"2243612","5.9496","0.0003","5.2484","0.0002","11.0029","0.0005","90","","100.245","0.001","90","","338.1","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[hydrazinium(1+)] hexafluoridosilicate","","- F6 H10 N4 Si -","- F6 H10 N4 Si -","- F12 H20 N8 Si2 -","2","0.5","HB7850","Ouasri, Ali; Lambarki, Fatima; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)] hexafluoridosilicate: (N~2~H~5~)~2~SiF~6~","Acta Crystallographica Section E","2019","75","10","1507","1510","10.1107/S2056989019012672","","","0.71073","MoKα","","0.0229","0.0206","","","0.0575","0.0586","","","","","","1.064","","","","has coordinates,has Fobs","256854","2020-10-21","18:00:00",""
"2243613","6.5264","0.0003","8.9024","0.0003","18.9261","0.0007","82.228","0.001","87.074","0.001","74.739","0.001","1050.96","0.07","296","","296","","","","","","","","","6","P -1","-P 1","2","","((Cyclohexylamino){(<i>Z</i>)-2-[(<i>E</i>)-5-methoxy-3-nitro-2-oxidobenzylidene-κ<i>O</i>]hydrazin-1-ylidene-κ<i>N</i>^2^}methanethiolato-κ<i>S</i>)(dimethyl sulfoxide-κ<i>S</i>)platinum(II)","","- C17 H24 N4 O5 Pt S2 -","- C17 H24 N4 O5 Pt S2 -","- C34 H48 N8 O10 Pt2 S4 -","2","1","","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook","The crystal structure of ((cyclohexylamino){(<i>Z</i>)-2-[(<i>E</i>)-5-methoxy-3-nitro-2-oxidobenzylidene-κ<i>O</i>]hydrazin-1-ylidene-κ<i>N</i>^2^}methanethiolato-κ<i>S</i>)(dimethyl sulfoxide-κ<i>S</i>)platinum(II): a supramolecular two-dimensional network","Acta Crystallographica Section E","2019","75","10","1486","1489","10.1107/S2056989019012623","","","0.71073","MoKα","","0.0214","0.0186","","","0.041","0.042","","","","","","1.085","","","","has coordinates,has Fobs","256855","2020-10-21","18:00:00",""
"2300646","6.4213","0.0002","6.3622","0.0002","17.1606","0.0006","90","","99.355","0.003","90","","691.75","0.04","292.36","","292.36","","","","","","","","","3","P 1 21 1","P 2yb","4","Vitamin C","L-ascorbic acid","","- C6 H8 O6 -","- C6 H8 O6 -","- C24 H32 O24 -","4","2","","McMonagle, Charles James; Probert, Michael Richard","Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials","Journal of Applied Crystallography","2019","52","2","445","450","10.1107/S1600576719003078","","x-ray","0.71073","MoKα","","0.0679","0.0413","","","0.0779","0.0883","","","","","","0.995","","","","has coordinates,has Fobs","214447","2020-10-21","18:00:00",""
"2300647","6.4196","0.0002","6.3619","0.0003","17.1568","0.0006","90","","99.356","0.003","90","","691.38","0.05","292.36","","292.36","","","","","","","","","3","P 1 21 1","P 2yb","4","Vitamin C","L-ascorbic acid","","- C6 H8 O6 -","- C6 H8 O6 -","- C24 H32 O24 -","4","2","","McMonagle, Charles James; Probert, Michael Richard","Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials","Journal of Applied Crystallography","2019","52","2","445","450","10.1107/S1600576719003078","","x-ray","0.71073","MoKα","","0.0883","0.0436","","","0.0714","0.0828","","","","","","0.96","","","","has coordinates,has Fobs","214447","2020-10-21","18:00:00",""
"2300648","6.4259","0.0012","6.3637","0.0012","17.168","0.004","90","","99.368","0.015","90","","692.7","0.2","292","2","292.36","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O6 -","- C6 H8 O6 -","- C24 H32 O24 -","4","2","","McMonagle, Charles James; Probert, Michael Richard","Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials","Journal of Applied Crystallography","2019","52","2","445","450","10.1107/S1600576719003078","","x-ray","0.71073","MoKα","","0.0953","0.0623","","","0.1491","0.1692","","","","","","1.031","","","","has coordinates,has Fobs","214447","2020-10-21","18:00:00",""
"2300649","7.509","0.0001","14.1395","0.0001","19.2362","0.0002","90","","90","","90","","2042.37","0.04","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- Al6.24 K1.03 Mg2.18 O88.58 Si29.76 -","- Al6.24 K1.0288 Mg2 O88.944 Si29.76 -","- Al6.24 K1.0288 Mg2 O88.944 Si29.76 -","1","0.0625","KC5102","Giacobbe, Carlotta; Wright, Jonathan; Dejoie, Catherine; Tafforeau, Paul; Berruyer, Camille; Vigliaturo, Ruggero; Gieré, Reto; Gualtieri, Alessandro F.","Depicting the crystal structure of fibrous ferrierite from British Columbia using a combined synchrotron techniques approach","Journal of Applied Crystallography","2019","52","6","","","10.1107/S1600576719013980","","","0.20645","synchrotron","","0.0833","0.0712","","","0.1982","0.2074","","","","","","1.047","","","","has coordinates,has Fobs","227866","2020-10-21","18:00:00",""
"2300661","4.5251","0.0004","13.7555","0.001","23.9096","0.0016","90","","90","","90","","1488.3","0.2","298","","298","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Iron carbide","","- C6 Fe14 -","- C6.00009 Fe14 -","- C48.0007 Fe112 -","8","1","GJ5230","Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry","Formation of two crystal modifications of Fe7C3−x at 5.5 GPa","Journal of Applied Crystallography","2019","52","6","1378","","10.1107/S1600576719013347","","x-ray","0.71073","MoKα","","0.1256","0.0591","","","0.1778","0.2259","","","","","","1.0988","","","","has coordinates,has disorder","246054","2020-10-21","18:00:00",""
"2300662","11.9698","0.0006","4.524","0.0002","13.7658","0.0006","90","","90","","90","","745.44","0.06","298","","298","","","","","","","","","2","P b c a","-P 2ac 2ab","61","iron carbide","iron carbide","","- C6 Fe14 -","- C6 Fe14 -","- C24 Fe56 -","4","0.5","GJ5230","Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry","Formation of two crystal modifications of Fe7C3−x at 5.5 GPa","Journal of Applied Crystallography","2019","52","6","1378","","10.1107/S1600576719013347","","","0.71073","MoKα","","0.0278","0.0245","","","0.0642","0.0663","","","","","","1.093","","","","has coordinates","246054","2020-10-21","18:00:00",""
"2311096","8.015","0.0016","10.015","0.002","17.703","0.004","90","","90","","90","","1421","0.5","77","","77","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","TD5055","Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter","Reducing dynamical electron scattering reveals hydrogen atoms","Acta Crystallographica Section A","2019","75","1","82","93","10.1107/S2053273318013918","","","0.02508","Electrondiffraction","","0.1681","0.1495","","","0.3531","0.369","","","","","","1.1","","","","has coordinates,has Fobs","213453","2020-10-21","18:00:00",""
"2311097","10.996","0.002","12.452","0.002","13.218","0.003","90","","90","","90","","1809.8","0.6","77","","77","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S2 -","- C18 H16 N2 O6 S2 -","- C72 H64 N8 O24 S8 -","4","1","","Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter","Reducing dynamical electron scattering reveals hydrogen atoms","Acta Crystallographica Section A","2019","75","1","82","93","10.1107/S2053273318013918","","","0.02508","Electrondiffraction","","0.1721","0.1543","","","0.376","0.3896","","","","","","1.109","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2311098","16.8015","0.0005","6.5945","0.0002","22.4243","0.0006","90","","90","","90","","2484.56","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","tri-(o-Chloroanilinium Nitrate","tri-(o-Chloroanilinium Nitrate","","- C6 H7 Cl N2 O3 -","- C6 H7 Cl N2 O3 -","- C72 H84 Cl12 N24 O36 -","12","3","","Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi","Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(<i>o</i>-chloroanilinium nitrate)","Acta Crystallographica Section A","2019","75","1","107","114","10.1107/S2053273318014122","","","0.71073","MoKα","","0.0771","0.0474","","","0.0876","0.099","","","","","","1.065","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2311099","24.94919","0.00016","24.94919","0.00016","24.94919","0.00016","90","","90","","90","","15529.9","0.17","200","","200","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na Zeolite Y * CO2","","- C33.94 Al0 Na58.75 O481.8 Si192 -","- C33.936 Na58.704 O481.856 Si192 -","- C33.936 Na58.704 O481.856 Si192 -","1","0.00520833","SC5122","Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco","CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment","Acta Crystallographica Section A Foundations and Advances","2019","75","2","","","10.1107/S2053273318017618","","x-ray","0.70158","synchrotron","","0.0861","0.072","","","0.2438","0.2651","","","","","","1.101","","","","has coordinates,has disorder","213529","2020-10-21","18:00:00",""
"2311100","24.86059","0.00015","24.86059","0.00015","24.86059","0.00015","90","","90","","90","","15365.1","0.16","300","","300","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na Zeolite Y * CO2","","- C0.34 Al0 Na0.36 O2.57 Si -","- C0.336 Na0.360083 O2.57367 Si -","- C64.512 Na69.136 O494.144 Si192 -","192","1","SC5122","Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco","CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment","Acta Crystallographica Section A Foundations and Advances","2019","75","2","","","10.1107/S2053273318017618","","x-ray","0.70158","synchrotron","","0.0813","0.0642","","","0.2054","0.2272","","","","","","1.146","","","","has coordinates,has disorder","213529","2020-10-21","18:00:00",""
"2311584","10.1879","0.0005","11.6149","0.0005","8.779","0.0004","90","","113.48","0.006","90","","952.82","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Amino-4,4,7,7-tetramethyl-3a,5,6,7a-tetrahydrobenzothiazol-3-ium 4-methylbenzoate","","- C19 H26 N2 O2 S -","- C19 H26 N2 O2 S -","- C38 H52 N4 O4 S2 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0497","0.0377","","","0.0848","0.0892","","","","","","1.027","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311585","10.2506","0.0005","11.5855","0.0004","8.8269","0.0004","90","","113.807","0.006","90","","959.07","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 4-bromobenzoate","","- C18 H23 Br N2 O2 S -","- C18 H23 Br N2 O2 S -","- C36 H46 Br2 N4 O4 S2 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0432","0.0323","","","0.0793","0.0826","","","","","","1.061","","","","has coordinates","246003","2020-10-21","18:00:00",""
"2311586","17.3232","0.0006","5.84087","0.00017","21.0876","0.0008","90","","109.875","0.004","90","","2006.61","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 3,5-dinitrobenzoate","","- C18 H22 N4 O6 S -","- C18 H22 N4 O6 S -","- C72 H88 N16 O24 S4 -","4","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0565","0.042","","","0.1079","0.1155","","","","","","1.053","","","","has coordinates","246003","2020-10-21","18:00:00",""
"2311587","9.0259","0.0006","14.7314","0.0011","11.1993","0.0008","90","","101.943","0.006","90","","1456.87","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium) fumarate","","- C26 H40 N4 O4 S2 -","- C26 H40 N4 O4 S2 -","- C52 H80 N8 O8 S4 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.1297","0.0624","","","0.1099","0.1275","","","","","","1.002","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311588","8.9437","0.0003","14.7253","0.0004","11.2676","0.0004","90","","100.493","0.003","90","","1459.11","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium) succinate‒2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium hydrogen succinate 4,4,7,7-tetramethyl-3a,5,6,7a-tetrahydrobenzothiazol-2-ylamine (1/1)","","- C26 H42 N4 O4 S2 -","- C26 H42 N4 O4 S2 -","- C52 H84 N8 O8 S4 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0466","0.0391","","","0.0906","0.0939","","","","","","1.041","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311589","12.4283","0.0004","4.84866","0.00009","20.6944","0.0005","90","","105.823","0.003","90","","1199.8","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>]bis(ethanolamine-κ^2^<i>N</i>,<i>O</i>)copper(II)","","- C20 H26 Cu N8 O6 -","- C20 H26 Cu N8 O6 -","- C40 H52 Cu2 N16 O12 -","2","0.5","WM5481","Alieva, Guloy K.; Ashurov, Jamshid M.; Kadirova, Shahnoza A.; Ibragimov, Bakhtiyar T.; Zakhidov, Kasim A.","Crystal structure of <i>trans</i>-bis-[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>]bis-(ethano-lamine-κ<sup>2</sup><i>N</i>,<i>O</i>)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","233","236","10.1107/S2056989019000744","","","1.54184","CuKα","","0.0382","0.0329","","","0.0904","0.0957","","","","","","1.064","","","","has coordinates","246004","2020-10-21","18:00:00",""
"2311590","13.9953","0.0008","10.0081","0.0006","13.733","0.0008","90","","116.43","0.0014","90","","1722.48","0.18","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(6-carboxypicolinato)zinc(II) trihydrate","","- C14 H14 N2 O11 Zn -","- C14 H13.95 N2 O10.975 Zn -","- C56 H55.8 N8 O43.9 Zn4 -","4","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0596","0.0373","","","0.0926","0.105","","","","","","1.036","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311591","13.6651","0.0015","10.0207","0.0011","13.7696","0.0015","90","","115.109","0.002","90","","1707.3","0.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(6-carboxypicolinato)nickel(II) trihydrate","","- C14 H14 N2 Ni O11 -","- C14 H13.934 N2 Ni O10.967 -","- C56 H55.736 N8 Ni4 O43.868 -","4","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0621","0.0392","","","0.1163","0.1284","","","","","","1.027","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311592","10.0293","0.0005","10.0293","0.0005","16.8924","0.0009","90","","90","","90","","1699.15","0.15","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[(4-chloropyridine-2,6-dicarboxylato)zinc(II)]","","- C7 H2 Cl N O4 Zn -","- C7 H2 Cl N O4 Zn -","- C56 H16 Cl8 N8 O32 Zn8 -","8","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0353","0.0264","","","0.0617","0.064","","","","","","1.068","","","","has coordinates","246005","2020-10-21","18:00:00",""
"2311593","10.05","0.001","10.05","0.001","16.506","0.0016","90","","90","","90","","1667.1","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Poly[[(4-hydroxypyridine-2,6-dicarboxylato)zinc(II)] monohydrate]","","- C14 H10 N2 O12 Zn2 -","- C14 H10 N2 O12 Zn2 -","- C56 H40 N8 O48 Zn8 -","4","0.5","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0382","0.0334","","","0.0774","0.0787","","","","","","1.074","","","","has coordinates","246005","2020-10-21","18:00:00",""
"2311594","9.544","0.002","9.544","0.002","23.361","0.005","90","","90","","90","","2127.9","0.8","250","2","250","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Triaqua(4-chloropyridine-2,6-dicarboxylato)nickel(II)","","- C7 H8 Cl N Ni O7 -","- C7 H8 Cl N Ni O7 -","- C56 H64 Cl8 N8 Ni8 O56 -","8","0.5","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0577","0.0501","","","0.1245","0.1274","","","","","","1.143","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311595","14.7249","0.0011","6.8538","0.0005","22.351","0.0016","90","","90.355","0.001","90","","2255.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua(4-hydroxypyridine-2,6-dicarboxylato)nickel(II) 1.7-hydrate","","- C7 H12.4 N Ni O9.7 -","- C7 H12.398 N Ni O9.699 -","- C56 H99.184 N8 Ni8 O77.592 -","8","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0447","0.0389","","","0.1036","0.1056","","","","","","1.165","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311596","14.4477","0.0004","14.5325","0.0004","17.9076","0.0005","71.266","0.002","75.725","0.002","70.506","0.002","3315.42","0.17","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","μ-Oxido-bis[(5,10,15,20-tetraphenylporphyrinato)iron(III)]","","- C88 H56 Fe2 N8 O -","- C87.99 H55.99 Fe2 N8 O -","- C175.98 H111.98 Fe4 N16 O2 -","2","1","WM5503","Peters, Morten K.; Näther, Christian; Herges, Rainer","Crystal structure of a polymorph of <i>μ</i>-oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato)iron(III)].","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","930","933","10.1107/S2056989019007576","","","0.71073","MoKα","","0.0879","0.0753","","","0.206","0.2137","","","","","","1.053","","","","has coordinates,has disorder","246006","2020-10-21","18:00:00",""
"2311597","15.982","0.003","15.982","0.003","29.74","0.005","90","","90","","120","","6579","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","[Co(NH3)6][ReF6]","Tris[hexaamminecobalt(III)] tetraoxidorhenate(VII) tetrakis[hexafluoridorhenate(IV)] hexahydrate","","- Co3 F24 H54 N18 O10 Re5 -","- Co3 F24 H54 N18 O10 Re5 -","- Co18 F144 H324 N108 O60 Re30 -","6","0.333333","HB7830","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Hagenbach, Adelheid; Poineau, Frederic","An unexpected rhenium(IV)-rhenium(VII) salt: [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>3</sub>[Re<sup>VII</sup>O<sub>4</sub>][Re<sup>IV</sup>F<sub>6</sub>]<sub>4</sub>·6H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 8","1158","1161","10.1107/S2056989019009757","","","0.71073","MoKα","","0.0417","0.0392","","","0.1122","0.1144","","","","","","1.084","","","","has coordinates","246007","2020-10-21","18:00:00",""
"2311598","7.5981","0.0006","37.411","0.003","6.1991","0.0005","90","","90","","90","","1762.1","0.2","90","","90","","","","","","","","","4","A e m 2","A 2 -2b","39","","4,4'-Bis(4-bromophenyl)-1,1',3,3'-tetrathiafulvalene","","- C18 H10 Br2 S4 -","- C18 H10 Br2 S4 -","- C72 H40 Br8 S16 -","4","0.5","EB2019","Rigin, Sergei; Fonari, Marina","Crystal structure of 4,4'-bis-(4-bromo-phen-yl)-1,1',3,3'-tetra-thia-fulvalene.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 8","1195","1198","10.1107/S2056989019009952","","","0.71073","MoKα","","0.0182","0.0171","","","0.0404","0.0407","","","","","","1.09","","","","has coordinates","246008","2020-10-21","18:00:00",""
"2311599","7.3371","0.0004","21.0051","0.0011","8.3069","0.0004","90","","102.711","0.001","90","","1248.86","0.11","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)-2-oxoethyl benzoate","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","SU5520","Sheshadri, S. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 11","1719","1723","10.1107/S2056989019013975","","x-ray","0.71073","MoKα","","0.0497","0.0414","","","0.1121","0.1204","","","","","","1.055","","","","has coordinates","246009","2020-10-21","18:00:00",""
"2311600","4.6292","0.0004","10.6563","0.0009","13.3592","0.0011","99.136","0.001","93.426","0.001","100.556","0.001","636.95","0.09","297","","297","","","","","","","","see text","4","P -1","-P 1","2","","2-(4-Nitrophenyl)-2-oxoethyl picolinate","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","JJ2216","Sanjeeva Murthy, T. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl picolinate.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 11","1763","1767","10.1107/S2056989019014105","","x-ray","0.71073","MoKα","","0.0624","0.0457","","","0.1214","0.1355","","","","","","1.066","","","","has coordinates","246011","2020-10-21","18:00:00",""
"2311601","12.6646","0.0018","12.4099","0.0018","9.0902","0.0013","90","","99.947","0.002","90","","1407.2","0.3","294","","294","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate","","- C15 H10 Cl N O5 -","- C15 H10 Cl N O5 -","- C60 H40 Cl4 N4 O20 -","4","1","SU5521","Sheshadri, S. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl 2-chloro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 11","1792","1796","10.1107/S2056989019014336","","x-ray","0.71073","MoKα","","0.1016","0.0544","","","0.1136","0.1405","","","","","","1.056","","","","has coordinates","246012","2020-10-21","18:00:00",""
"2311997","16.7989","0.0006","17.0054","0.0007","22.1341","0.0007","78.897","0.002","100.411","0.004","90.042","0.003","6098.8","0.4","150","2","150","2","","","","","","","","5","B -1","-B 1","2","","13-Chloro-2-(2-chlorophenyl)-3-oxa-6,9-diazatricyclo[8.4.0.0^2,6^]tetradeca-1(10),11,13-trien-8-one","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C272 H224 Cl32 N32 O32 -","16","4","","Garraza, María Soledad; Gimenez, María Emilia; Vega, Daniel Roberto; Baggio, Ricardo","Crystal structure and pseudosymmetry analysis of the triclinic prodrug cloxazolam (Z' = 4).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 7","851","858","10.1107/S2053229619008404","","","0.71073","MoKα","","0.1159","0.0574","","","0.108","0.1253","","","","","","1.12","","","","has coordinates","246238","2020-10-21","18:00:00",""
"2311998","27.194","0.003","27.194","0.003","7.6221","0.0008","90","","90","","120","","4881.5","0.9","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","<i>catena</i>-Poly[tris{μ~2~-3-carboxy-2,3-bis[(4-methylphenyl)carbonyloxy]propanoato}tris(methanol)europium(III)]","","- C63 H63 Eu O27 -","- C63 H63 Eu O27 -","- C189 H189 Eu3 O81 -","3","0.333333","FN3316","Han, Mei Rong; Li, Shao Dong; Ma, Ling; Yao, Bang; Feng, Si Si; Zhu, Miao Li","Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1220","1227","10.1107/S205322961901060X","","","0.71073","MoKα","","0.0489","0.0397","","","0.0708","0.0746","","","","","","1.056","","","","has coordinates","246239","2020-10-21","18:00:00",""
"2311999","32.077","0.005","15.83","0.002","24.815","0.004","90","","97.655","0.002","90","","12488","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[pentakis(2,6-dimethylphenyl isocyanide)niobium(I)]","","- C126 H126 N14 Nb2 -","- C126 H126 N14 Nb2 -","- C504 H504 N56 Nb8 -","4","0.5","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.1024","0.0549","","","0.1263","0.1444","","","","","","0.997","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312000","12.2029","0.0013","12.5921","0.0014","19.676","0.002","95.62","0.002","101.807","0.002","113.236","0.002","2665.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[tetrakis(2,6-dimethylphenyl isocyanide)niobium(I)] tetrahydrofuran trisolvate","","- C120 H132 N12 Nb2 O3 -","- C120 H132 N12 Nb2 O3 -","- C120 H132 N12 Nb2 O3 -","1","0.5","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.0831","0.0476","","","0.0939","0.1065","","","","","","1.022","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312001","15.2582","0.001","15.2582","0.001","26.7313","0.0017","90","","90","","120","","5389.6","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Hexakis(2,6-diisopropylphenyl isocyanide)niobium(0)","","- C78 H102 N6 Nb -","- C78 H102 N6 Nb -","- C234 H306 N18 Nb3 -","3","0.166667","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.0378","0.0351","","","0.0832","0.0852","","","","","","1.043","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312002","12.5596","0.0004","7.587","0.0003","14.3433","0.0006","90","","94.66","0.002","90","","1362.25","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylamino-3H-chromenedione","3-[1-(2-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","","","0.71073","MoKα","","0.1466","0.0579","","","0.1434","0.1941","","","","","","0.908","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312003","25.8641","0.0005","13.2022","0.0002","4.05295","0.00005","90","","90","","90","","1383.93","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(3-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","powder diffraction","x-ray","1.5418","CuKα~1~","","0.0385","0.0384","","0.0442","0.0442","","","","2.59","","","","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312004","25.2195","0.0004","12.8116","0.0002","4.54932","0.00004","90","","90","","90","","1469.9","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(4-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione monohydrate","","- C17 H15 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","powder diffraction","x-ray","1.5418","CuKα","","0.0438","0.0438","","0.06","0.06","","","","3.47","","","","","","","has coordinates","246241","2020-10-21","18:00:00",""
"3000209","4.1246","0.0003","12.2302","0.0013","4.1838","0.0003","90","","90","","90","","211.05","0.03","480","2","480","2","200","","200","","","","","3","C m c m","-C 2c 2","63","","","","- D1.576 Ga Nd -","- D1.576 Ga Nd -","- D6.304 Ga4 Nd4 -","4","0.25","","Auer, Henry; Nedumkandathil, Reji; Häussermann, Ulrich; Kohlmann, Holger","The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction","Zeitschrift für anorganische und allgemeine Chemie","2019","645","3","175","","10.1002/zaac.201800459","powder diffraction","","1.86718","neutron","","","","","","","","","7.138","4.971","","","","","","","has coordinates","215536","2020-10-21","18:00:00",""
"3000210","12.36","0.0007","12.2925","0.0013","4.1724","0.0003","90","","90","","90","","633.93","0.09","480","2","480","2","9800","","9800","","","","","3","C m c m","-C 2c 2","63","","","","- D1.67 Ga Nd -","- D1.66667 Ga Nd -","- D20 Ga12 Nd12 -","12","0.75","","Auer, Henry; Nedumkandathil, Reji; Häussermann, Ulrich; Kohlmann, Holger","The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction","Zeitschrift für anorganische und allgemeine Chemie","2019","645","3","175","","10.1002/zaac.201800459","powder diffraction","","1.86718","neutron","","","","","","","","","6.36","5.34","","","","","","","has coordinates","215537","2020-10-21","18:00:00",""
"3000211","4.1656","0.0003","12.0336","0.0009","4.1858","0.0002","90","","90","","90","","209.82","0.02","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- D1.106 Ga Nd -","- D1.106 Ga Nd -","- D4.424 Ga4 Nd4 -","4","0.25","","Auer, Henry; Nedumkandathil, Reji; Häussermann, Ulrich; Kohlmann, Holger","The Hydrogenation of the Zintl Phase NdGa Studied by in situ Neutron Diffraction","Zeitschrift für anorganische und allgemeine Chemie","2019","645","3","175","","10.1002/zaac.201800459","powder diffraction","","1.86718","neutron","","","","","","","","","6.76","3.41","","","","","","","has coordinates","215538","2020-10-21","18:00:00",""
"3000217","5.34","","19.53","","29.98","","90","","90","","90","","3126.62","","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Sofosbuvir, L-proline","","","- C27 H38 F N4 O11 P -","- C27 H33 F N4 O11 P -","- C108 H132 F4 N16 O44 P4 -","4","1","","Brázda, Petr; Palatinus, Lukáš; Babor, Martin","Electron diffraction determines molecular absolute configuration in a pharmaceutical nanocrystal","Science","2019","364","6441","667","669","10.1126/science.aaw2560","","electron","0.0335","electron","","0.1623","0.0986","","","0.0912","0.0962","","","","3.01","3.01","2.4","","","","has coordinates","215255","2020-10-21","18:00:00",""
"3000218","12.0038","0.0003","27.5554","0.0008","12.8479","0.0004","90","","100.967","0.001","90","","4172.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Ag6 B6 F24 N32 O2 -","- C56 H68 Ag6 B6 F24 N32 O2 -","- C112 H136 Ag12 B12 F48 N64 O4 -","2","0.5","","Esteban-Parra, Ginés M; Méndez-Arriaga, José M; Rodríguez-Diéguez, Antonio; Quirós, Miguel; Salas, Juan M; Sánchez-Moreno, Manuel","High antiparasitic activity of silver complexes of 5,7-dimethyl-1,2,4-triazolo[1,5 a]pyrimidine.","Journal of inorganic biochemistry","2019","201","","110810","","10.1016/j.jinorgbio.2019.110810","","","1.54178","CuKα","","0.0714","0.0615","","","0.167","0.1766","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","218822","2020-10-21","18:00:00",""
"3000219","8.9978","0.0004","10.8619","0.0005","12.0576","0.0006","100.519","0.0016","105.255","0.0016","93.1937","0.0017","1111.09","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Ag2 Cl2 N8 O9 -","- C14 H18 Ag2 Cl2 N8 O9 -","- C28 H36 Ag4 Cl4 N16 O18 -","2","1","","Esteban-Parra, Ginés M; Méndez-Arriaga, José M; Rodríguez-Diéguez, Antonio; Quirós, Miguel; Salas, Juan M; Sánchez-Moreno, Manuel","High antiparasitic activity of silver complexes of 5,7-dimethyl-1,2,4-triazolo[1,5 a]pyrimidine.","Journal of inorganic biochemistry","2019","201","","110810","","10.1016/j.jinorgbio.2019.110810","","","0.71069","MoKα","","0.0366","0.0326","","","0.0761","0.0796","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","218823","2020-10-21","18:00:00",""
"3000225","4.684","0.001","5.614","0.001","13.528","0.003","90","","90","0.02","90","","355.73","0.13","415","5","415","5","","","","","","","synthetic","3","B 1 21/m 1","-P 2yb (1/2*x,y,-1/2*x+z)","11","","potassium chlorate(V)","","- Cl K O3 -","- Cl K O3 -","- Cl4 K4 O12 -","4","","","Reiner, G.; Wartchow, R.","On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorat, Cs Cl O3 . I. Crystal structure of twinned K Cl O3 at 415 K","Institutionelles Repositorium der Leibniz Universitaet Hannover","2019","","","","","10.15488/4740","","","0.71073","MoKα","","0.0342","0.0329","","","0.0733","0.0754","","","","","","1.098","","","","has coordinates","214825","2020-10-21","18:00:00",""
"3000226","4.65","0.001","5.582","0.001","13.368","0.002","90","","90","","90","","346.98","0.11","296","2","296","2","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","potassium chlorate(V) (HTM)","","- Cl K O3 -","- Cl K O3 -","- Cl4 K4 O12 -","4","0.5","","Reiner, G.; Wartchow, R.","On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . II. Crystal structure of high-temperature K Cl O3 at 296 K","Institutionelles Repositorium der Leibniz Universitaet Hannover","2019","","","","","10.15488/4740","","","0.71073","MoKα","","0.0524","0.0404","","","0.0418","0.044","","","","","","1.286","","","","has coordinates","214826","2020-10-21","18:00:00",""
"3000227","9.367","0.003","5.894","0.001","7.61","0.002","90","","90","","90","","420.14","0.19","600","10","600","10","","","","","","","synthetic","3","P n m a","-P 2ac 2n","62","","rubidium chlorate(V)","","- Cl O3 Rb -","- Cl O3 Rb -","- Cl4 O12 Rb4 -","4","0.5","","Reiner, G.; Wartchow, R.","On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . III. Crystal structure of high-temperature Rb Cl O3","Institutionelles Repositorium der Leibniz Universitaet Hannover","2019","","","","","10.15488/4740","","","0.71073","MoKα","","0.0745","0.0556","","","0.0883","0.0978","","","","","","1.493","","","","has coordinates,has disorder","214850","2020-10-21","18:00:00",""
"3000228","6.424","0.001","6.424","0.001","8.254","0.001","90","","90","","120","","294.99","0.07","298","2","298","2","","","","","","","synthetic","3","R 3 m :H","R 3 -2""","160","","cesium chlorate(V)","","- Cl Cs O3 -","- Cl Cs O3 -","- Cl3 Cs3 O9 -","3","0.166667","","Reiner, G.; Wartchow, R.","On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . IV. Crystal structure of Cs Cl O3 at 298 K","Institutionelles Repositorium der Leibniz Universitaet Hannover","2019","","","","","10.15488/4740","","","0.71073","MoKα","","0.0278","0.0278","","","0.0542","0.0542","","","","","","1.172","","","","has coordinates","214828","2020-10-21","18:00:00",""
"3000244","9.955","0.0013","14.29","0.0019","14.3979","0.0019","90","","91.09","0.002","90","","2047.8","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag2 Fe N6 -","- C18 H18 Ag2 Fe N6 -","- C72 H72 Ag8 Fe4 N24 -","4","1","","Rodriguez Velamazan","","Personal communication to COD","2019","","","","","","","","0.71073","MoKα","","0.0507","0.04","","","0.1308","0.1407","","","","","","1.012","","","","has coordinates","215475","2020-10-21","18:00:00",""
"3000245","10.0093","0.0008","15.0039","0.0011","14.8435","0.0011","90","","91.439","0.001","90","","2228.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag2 Fe N6 -","- C18 H18 Ag2 Fe N6 -","- C72 H72 Ag8 Fe4 N24 -","4","1","","Rodriguez Velamazan","Structural Insights into the Two-Step Spin-Crossover Compound Fe(3,4-dimethyl-pyridine)2[Ag(CN)2]2","Crystals","2019","","","316","","","","","0.71073","MoKα","","0.042","0.0296","","","0.0628","0.0672","","","","","","1.038","","","","has coordinates","216475","2020-10-21","18:00:00",""
"3000246","14.6356","0.001","3.81207","0.00015","11.2115","0.0007","90","","90","","90","","625.51","0.06","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 H3.4 Si3 -","- Ca3 H3.4 Si3 -","- Ca12 H13.6 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","4.4","1.94","","","","","","","has coordinates","219316","2020-10-21","18:00:00",""
"3000247","4.5607","0.0006","10.8469","0.0012","3.9039","0.0005","90","","90","","90","","193.12","0.04","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.05 Si -","- Ca D0.047 Si -","- Ca4 D0.188 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","8.06","1.65","","","","","","","has coordinates","219317","2020-10-21","18:00:00",""
"3000248","4.5391","0.0006","10.9521","0.0015","3.9028","0.0006","90","","90","","90","","194.02","0.05","529","","529","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.09 Si -","- Ca D0.092 Si -","- Ca4 D0.368 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.21","1.72","","","","","","","has coordinates","219318","2020-10-21","18:00:00",""
"3000249","4.5406","0.0006","10.943","0.0015","3.9036","0.0006","90","","90","","90","","193.96","0.05","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.1 Si -","- Ca D0.096 Si -","- Ca4 D0.384 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","9.61","1.35","","","","","","","has coordinates","219319","2020-10-21","18:00:00",""
"3000250","4.5206","0.0007","11.0166","0.0014","3.9018","0.0005","90","","90","","90","","194.32","0.05","524","","524","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.13 Si -","- Ca D0.126 Si -","- Ca4 D0.504 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.45","2.19","","","","","","","has coordinates","219320","2020-10-21","18:00:00",""
"3000251","4.5227","0.0005","11.0069","0.001","3.9015","0.0004","90","","90","","90","","194.22","0.03","535","","535","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.14 Si -","- Ca D0.137 Si -","- Ca4 D0.548 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.67","2.18","","","","","","","has coordinates","219321","2020-10-21","18:00:00",""
"3000252","4.5184","0.0005","11.0248","0.001","3.9012","0.0003","90","","90","","90","","194.34","0.03","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.17 Si -","- Ca D0.168 Si -","- Ca4 D0.672 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.71","2.38","","","","","","","has coordinates","219322","2020-10-21","18:00:00",""
"3000253","14.579","0.004","3.8119","0.0004","11.209","0.002","90","","90","","90","","622.9","0.2","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 D3.23 Si3 -","- Ca3 D3.228 Si3 -","- Ca12 D12.912 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.7982","neutron","","","","","","","","","1.48","1.33","","","","","","","has coordinates","219323","2020-10-21","18:00:00",""
"3500019","17.8999","0.0005","6.6415","0.0002","18.0718","0.0005","90","","99.2688","0.0012","90","","2120.36","0.11","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzenemethanaminium, N,N,N-trimethyl-, chloride (1:1)","","- C10 H16 Cl N -","- C10 H16 Cl N -","- C80 H128 Cl8 N8 -","8","2","","Thierry Maris","N,N,N-trimethyl-1-phenylmethanaminium chloride","Personal communication to COD","2019","","","","","","","x-ray","1.54178","CuKα","","0.0353","0.0347","","","0.0957","0.0962","","","","","","1.086","","","","has coordinates,has Fobs","245327","2020-10-21","18:00:00",""
"3500020","6.2577","0.0003","7.7878","0.0004","16.1579","0.0008","90","","97.32","0.003","90","","781.02","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzenesulfonyl chloride, 4-chloro-","","- C6 H4 Cl2 O2 S -","- C6 H4 Cl2 O2 S -","- C24 H16 Cl8 O8 S4 -","4","1","","Thierry Maris","4-Chlorobenzenesulfonyl chloride","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0362","0.0355","","","0.0935","0.0944","","","","","","1.11","","","","has coordinates,has Fobs","245328","2020-10-21","18:00:00",""
"3500032","8.5171","0.0005","8.4949","0.0005","12.0795","0.0007","90","","106.13","0.002","90","","839.57","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Dinitrobenzyl chloride","Benzene, 1-(chloromethyl)-3,5-dinitro-","","- C7 H5 Cl N2 O4 -","- C7 H5 Cl N2 O4 -","- C28 H20 Cl4 N8 O16 -","4","1","","Thierry Maris","3,5-Dinitrobenzyl chloride","Personal communication to COD","2019","","","","","","","x-ray","1.34139","GaKα","","0.028","0.0262","","","0.0716","0.0733","","","","","","1.058","","","","has coordinates,has Fobs","245329","2020-10-21","18:00:00",""
"3500033","3.6601","0.0002","6.0299","0.0003","8.3765","0.0004","103.24","0.003","102.529","0.003","95.29","0.003","173.701","0.016","100","","100","","","","","","","","","4","P -1","-P 1","2","Benzene, 1,4-diisocyanato-","1,4-Diisocyanatobenzene","","- C8 H4 N2 O2 -","- C8 H4 N2 O2 -","- C8 H4 N2 O2 -","1","0.5","","Thierry Maris","1,4-Diisocyanatobenzene","Personal communication to COD","2019","","","","","","","x-ray","1.34139","GaKα","","0.0453","0.0426","","","0.1057","0.1075","","","","","","1.085","","","","has coordinates,has Fobs","245330","2020-10-21","18:00:00",""
"3500040","16.3767","0.0004","16.3767","0.0004","5.3443","0.0001","90","","90","","120","","1241.29","0.05","200","","200","","","","","","","","","3","R -3 :H","-R 3","148","hexa(bromomethyl)benzene","Benzene, 1,2,3,4,5,6-hexakis(bromomethyl)-","","- C12 H12 Br6 -","- C12 H12 Br6 -","- C36 H36 Br18 -","3","0.166667","","Thierry Maris","hexa(bromomethyl)benzene","Personal communication to COD","2019","","","","","","","x-ray","1.34139","GaKα","","0.0158","0.0152","","","0.0368","0.0372","","","","","","1.103","","","","has coordinates,has Fobs","245331","2020-10-21","18:00:00",""
"3500072","3.8295","0.0002","20.8392","0.0008","10.4262","0.0004","90","","97.142","0.002","90","","825.59","0.06","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane","","- C18 H12 B3 F3 O3 -","- C18 H12 B3 F3 O3 -","- C36 H24 B6 F6 O6 -","2","0.5","","Thierry Maris","2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane","Personal communication to COD","2019","","","","","","","x-ray","1.34139","GaKα","","0.0624","0.0555","","","0.1531","0.1582","","","","","","1.132","","","","has coordinates,has Fobs","245326","2020-10-21","18:00:00",""
"3500077","9.627","","9.587","","9.569","","90","","103.6","","90","","858.399","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Al (P O4) (H2 O)2","","- Al H4 O6 P -","- Al O6 P -","- Al8 O48 P8 -","8","2","","Ismael Jimenez Calvo","","Personal communication to COD","2019","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","214069","2020-10-21","18:00:00",""
"3500079","13.5933","0.0007","13.7213","0.0007","44.838","0.002","90","","90.119","0.002","90","","8363.1","0.7","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetradecylammonium bromide","","","- C40 H84 Br N -","- C40 H84 Br N -","- C320 H672 Br8 N8 -","8","1","","Thierry Maris","Tetradecylammonium Bromide","Personal communication to COD","2019","","","","","","","x-ray","1.54178","CuKα","","0.0332","0.0329","","","0.0915","0.0919","","","","","","1.085","","","","has coordinates","287889","2023-11-30","14:14:06",""
"3500080","8.2048","0.0002","8.2048","0.0002","10.7389","0.0002","90","","90","","90","","722.93","0.03","150","","150","","","","","","","","","4","I -4","I -4","82","tetrapropylammonium bromide","","","- C12 H28 Br N -","- C12 H28 Br N -","- C24 H56 Br2 N2 -","2","0.25","","Thierry Maris","Tetrapropylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0199","0.0199","","","0.0491","0.0491","","","","","","1.114","","","","has coordinates,has Fobs","245318","2020-10-21","18:00:00",""
"3500081","13.9825","0.0003","13.8659","0.0003","20.0516","0.0004","90","","110.348","0.001","90","","3645.01","0.13","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetrabutylammonium bromide","","","- C16 H36 Br N -","- C16 H36 Br N -","- C128 H288 Br8 N8 -","8","1","","Thierry Maris","Tetrabutylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0375","0.0368","","","0.0935","0.0952","","","","","","1.125","","","","has coordinates,has Fobs","245319","2020-10-21","18:00:00",""
"3500082","10.5034","0.0007","22.9748","0.0018","9.2342","0.0006","90","","90","","90","","2228.3","0.3","150","","150","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","tetrapentylammonium bromide","","","- C20 H44 Br N -","- C20 H44 Br N -","- C80 H176 Br4 N4 -","4","0.25","","Thierry Maris","Tetrapentylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0357","0.033","","","0.0862","0.0902","","","","","","1.083","","","","has coordinates,has Fobs","245320","2020-10-21","18:00:00",""
"3500083","10.0773","0.0011","10.0124","0.0011","26.219","0.003","90","","90","","90","","2645.4","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","4","A e a 2","A 2 -2ab","41","tetrahexylammonium iodide","","","- C24 H52 I N -","- C24 H52 I N -","- C96 H208 I4 N4 -","4","0.5","","Thierry Maris","Tetrahexylammonium Iodide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0689","0.0603","","","0.1736","0.1833","","","","","","1.173","","","","has coordinates,has Fobs","245321","2020-10-21","18:00:00",""
"3500084","9.787","0.0005","9.7825","0.0005","31.3951","0.0018","90","","90","","90","","3005.8","0.3","150","","150","","","","","","","","","4","A e a 2","A 2 -2ab","41","tetraheptylammonium bromide","","","- C28 H60 Br N -","- C28 H60 Br N -","- C112 H240 Br4 N4 -","4","0.5","","Thierry Maris","Tetraheptylammonium bromide","Personal communication to COD","2019","","","","","","","x-ray","1.54178","CuKα","","0.0354","0.0353","","","0.0846","0.0849","","","","","","1.06","","","","has coordinates,has Fobs","245322","2020-10-21","18:00:00",""
"3500085","9.7042","0.0005","9.7042","0.0005","18.6896","0.0011","90","","90","","90","","1760.03","0.16","150","","150","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","tetraoctylammonium bromide","","","- C32 H68 Br N -","- C32 H68 Br N -","- C64 H136 Br2 N2 -","2","0.25","","Thierry Maris","Tetraoctylammonium bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0405","0.04","","","0.1035","0.1044","","","","","","1.099","","","","has coordinates,has Fobs","288507","2023-12-22","15:51:22",""
"3500086","7.659","0.0003","7.659","0.0003","5.4566","0.0002","90","","90","","90","","320.09","0.02","150","","150","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","tetramethylammonium bromide","","","- C4 H12 Br N -","- C4 H12 Br N -","- C8 H24 Br2 N2 -","2","0.125","","Thierry Maris","Tetramethylammonium bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0204","0.0199","","","0.0493","0.0496","","","","","","1.17","","","","has coordinates,has Fobs","245324","2020-10-21","18:00:00",""
"3500087","12.0127","0.0002","12.0127","0.0002","35.1627","0.0008","90","","90","","120","","4394.34","0.14","150","","150","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetraethylammonium Bromide","","","- C8 H20 Br N -","- C8 H20 Br N -","- C144 H360 Br18 N18 -","18","0.5","","Thierry Maris","Tetraethylammonium Bromide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0274","0.0262","","","0.0728","0.0743","","","","","","1.089","","","","has coordinates,has Fobs","245325","2020-10-21","18:00:00",""
"4002903","6.242","0.004","22.545","0.013","9.236","0.005","90","","94.648","0.013","90","","1295.5","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br4 N2 Pb -","- C4 H12 Br4 N2 Pb -","- C16 H48 Br16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0598","0.0402","","","0.0885","0.0898","","","","2.22","2.22","1.91","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002904","6.2763","0.0003","20.46","0.0009","9.6935","0.0004","90","","90.563","0.002","90","","1244.71","0.1","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br4 N2 Pb -","- C4 H12 Br4 N2 Pb -","- C16 H48 Br16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0314","0.0288","","","0.082","0.0826","","","","2.2","2.2","2.15","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002905","10.057","0.002","21.376","0.003","6.58","0.007","90","","90","","90","","1414.6","1.5","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H12 I4 N2 Pb -","- C4 H12 I4 N2 Pb -","- C16 H48 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0377","0.0304","","","0.0402","0.041","","","","1.44","1.44","1.36","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002906","5.886","0.0002","21.7573","0.0007","8.9772","0.0003","90","","94.922","0.002","90","","1145.41","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl4 N2 Pb -","- C4 H12 Cl4 N2 Pb -","- C16 H48 Cl16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0421","0.0397","","","0.1018","0.1023","","","","2.53","2.53","2.47","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002907","8.8027","0.0004","8.8027","0.0004","12.7893","0.0006","90","","90","","120","","858.24","0.07","293","","293","","","","","","","","","5","P 64","P 64","172","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C24 H12 F18 N12 Zn3 -","3","0.5","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.018","10.224","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4002908","17.5317","0.0008","17.5317","0.0008","17.5317","0.0008","90","","90","","90","","5388.6","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C96 H48 F72 N48 Zn12 -","12","0.25","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.021","10.727","","","","","","","has coordinates,has disorder","288246","2023-12-12","10:54:34",""
"4002909","7.5862","0.0016","9.8792","0.0018","7.6926","0.0018","90","","108.97","0.018","90","","545.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 F3 N2 -","- C4 H3 F3 N2 -","- C16 H12 F12 N8 -","4","1","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","","","1.54178","CuKα","","0.1909","0.0825","","","0.1868","0.2401","","","","","","1.031","","","","has coordinates,has disorder","223181","2020-10-21","18:00:00",""
"4002910","13.279","","4.066","","14.988","","90","","115.43","","90","","730.832","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3.48 In0.51 Mn2.03 Se8 -","- Bi3.48 In0.52 Mn2.03 Se8 -","- Bi6.96 In1.04 Mn4.06 Se16 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0783","0.0727","","","0.1804","0.1908","","","","","","0.827","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002911","13.684","","4.16","","17.082","","90","","94.05","","90","","969.972","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag1.61 Bi5.46 Cd0.94 Se10 -","- Ag1.52 Bi5.454 Cd1.026 Se10 -","- Ag3.04 Bi10.908 Cd2.052 Se20 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0651","0.059","","","0.1638","0.1711","","","","","","1.08","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002912","13.547","","4.087","","20.706","","90","","102.36","","90","","1119.85","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2.36 Cd0.96 Sb6.53 Se12 -","- Ag2.354 Cd0.96 Sb6.526 Se12 -","- Ag4.708 Cd1.92 Sb13.052 Se24 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0643","0.0477","","","0.1248","0.1324","","","","","","1.035","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002913","13.014","","3.991","","12.003","","90","","104.23","","90","","604.294","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3 In Pb S7 -","- Bi3 In Pb S7 -","- Bi6 In2 Pb2 S14 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0345","0.0342","","","0.0983","0.0986","","","","","","1.095","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002914","13.633","","4.146","","19.335","","90","","104.64","","90","","1057.38","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2 Bi6 Cd Se11 -","- Ag2 Bi6 Cd Se11 -","- Ag4 Bi12 Cd2 Se22 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.1345","0.0595","","","0.1331","0.1572","","","","","","0.741","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002915","13.156","","4.011","","15.151","","90","","99.87","","90","","787.666","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cd Pb2 S9 -","- Bi4 Cd Pb2 S9 -","- Bi8 Cd2 Pb4 S18 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0656","0.0544","","","0.1287","0.1345","","","","","","1.052","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002916","6.83148","0.00011","6.83148","0.00011","5.6572","0.0002","90","","90","","90","","264.017","0.011","295","","295","","","","8700000","","","","","2","I 4/m c m","-I 4 2c","140","","","MnBi2","- Bi2 Mn -","- Bi2 Mn -","- Bi8 Mn4 -","4","0.125","","Walsh, James P. S.; Clarke, Samantha M.; Puggioni, Danilo; Tamerius, Alexandra D.; Meng, Yue; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.","MnBi2: A Metastable High-Pressure Phase in the Mn‒Bi System","Chemistry of Materials","2019","31","9","3083","","10.1021/acs.chemmater.9b00385","powder diffraction","","0.4066","","","3.513","","","","","","","","0.8","","","","","","","has coordinates","223185","2020-10-21","18:00:00",""
"4002917","16.5896","0.0004","6.1155","0.0001","18.1992","0.0004","90","","90","","90","","1846.38","0.07","299.78","0.1","299.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-dibromo-5.6-dicyanobenzoquinone","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0302","0.0262","","","0.0655","0.0684","","","","","","1.0456","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002918","6.57483","0.00012","18.364","0.0003","16.5153","0.0002","90","","90","","90","","1994.06","0.05","298.62","0.1","298.62","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3,-dichloro-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Cl2 N2 O2 S -","- C22 H12 Cl2 N2 O2 S -","- C88 H48 Cl8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0244","0.0238","","","0.0619","0.0622","","","","","","1.076","","","","has coordinates,has disorder","223182","2020-10-21","18:00:00",""
"4002919","7.1881","0.0003","20.1241","0.001","12.6012","0.0006","90","","98.493","0.004","90","","1802.83","0.15","300.3","0.4","300.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Br2 N3 O2 -","- C16 H20 Br2 N3 O2 -","- C64 H80 Br8 N12 O8 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0597","0.0434","","","0.1062","0.1119","","","","","","1.067","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002920","11.936","0.003","6.0077","0.0013","9.478","0.002","90","","98.128","0.009","90","","672.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Br O2 Pb -","- C4 H5 Br O2 Pb -","- C16 H20 Br4 O8 Pb4 -","4","1","","Yin, Jinlin; Yang, Huimin; Fei, Honghan","Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission","Chemistry of Materials","2019","31","11","3909","","10.1021/acs.chemmater.8b05345","","","0.71073","MoKα","","0.078","0.0497","","","0.1251","0.1431","","","","","","1.051","","","","has coordinates","223186","2020-10-21","18:00:00",""
"4002921","9.843","0.003","9.024","0.003","6.66","0.002","90","","97.098","0.01","90","","587","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.667 H3.333 Cl0.667 O1.333 Pb0.667 -","- C2.66667 H3.33333 Cl0.666667 O1.33333 Pb0.666667 -","- C16 H20 Cl4 O8 Pb4 -","6","1.5","","Yin, Jinlin; Yang, Huimin; Fei, Honghan","Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission","Chemistry of Materials","2019","31","11","3909","","10.1021/acs.chemmater.8b05345","","","0.71073","MoKα","","0.0647","0.047","","","","0.1033","","","","","","1.1043","","","","has coordinates","223186","2020-10-21","18:00:00",""
"4002922","7.3957","0.0003","7.3957","0.0003","7.5452","0.0003","90","","90","","120","","357.4","0.02","296","","296","","","","","","","","","3","P 63/m","-P 6c","176","","","","- F2.667 Fe O0.55 -","- F2.66666 Fe O0.54874 -","- F16 Fe6 O3.29244 -","6","0.5","","Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme","Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion","Chemistry of Materials","2019","31","11","4246","","10.1021/acs.chemmater.9b01252","powder diffraction","","1.78901","CoKα","","","","","","","","","6.8247","1.8818","","","","","","","has coordinates","223187","2020-10-21","18:00:00",""
"4002923","10.3562","0.0004","10.3562","0.0004","10.3562","0.0004","90","","90","","90","","1110.71","0.07","296","","296","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- F2.5 Fe O -","- F2.50005 Fe O1.00007 -","- F40.0008 Fe16 O16.0011 -","16","0.0833333","","Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme","Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion","Chemistry of Materials","2019","31","11","4246","","10.1021/acs.chemmater.9b01252","powder diffraction","","1.78901","CoKα","","","","","","","","","6.3912","3.6021","","","","","","","has coordinates","223187","2020-10-21","18:00:00",""
"4002924","7.5473","0.0005","10.0996","0.0006","13.5908","0.0009","83.75","0.001","82.174","0.001","88.52","0.001","1020.14","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 S2 Si2 -","- C20 H24 S2 Si2 -","- C40 H48 S4 Si4 -","2","1","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.41328","","","0.0415","0.0346","","","0.0972","0.1017","","","","","","1.09","","","","has coordinates","219547","2020-10-21","18:00:00",""
"4002925","14.1772","0.0006","6.1547","0.0003","10.6485","0.0005","90","","92.2098","0.0016","90","","928.46","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C44 H48 S4 -","2","0.5","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.71073","MoKα","","0.0376","0.0339","","","0.0899","0.0931","","","","","","1.103","","","","has coordinates,has disorder","219548","2020-10-21","18:00:00",""
"4002926","14.6338","0.0012","6.3264","0.0006","10.4185","0.0009","90","","93.755","0.003","90","","962.47","0.15","370","2","370","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C44 H48 S4 -","2","0.5","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.71073","MoKα","","0.0595","0.0448","","","0.1198","0.1316","","","","","","1.072","","","","has coordinates,has disorder","219549","2020-10-21","18:00:00",""
"4002927","14.3093","0.0013","6.3457","0.0006","11.3566","0.0011","90","","92.348","0.004","90","","1030.34","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 S2 Si2 -","- C20 H24 S2 Si2 -","- C40 H48 S4 Si4 -","2","0.5","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.71073","MoKα","","0.0355","0.0319","","","0.0861","0.0897","","","","","","1.048","","","","has coordinates","219550","2020-10-21","18:00:00",""
"4002928","14.1466","0.0007","16.3002","0.001","3.7489","0.0002","90","","90","","90","","864.47","0.08","100","2","100.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As6 Ge6 K4 -","- As6 Ge6 K4 -","- As12 Ge12 K8 -","2","0.25","","Eulenstein, Armin R.; Bogdanovski, Dimitri; Reinhardt, Hendrik; Miß, Vanessa; Roling, Bernhard; Hampp, Norbert; Dronskowski, Richard; Dehnen, Stefanie","K2Ge3As3: Fiberlike Crystals of a Narrow-Band-Gap Zintl Phase with a One-Dimensional Substructure ∞1{(Ge3As3)2‒}","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02827","","","0.71073","MoKα","","0.0695","0.0526","","","0.1413","0.1521","","","","","","1.047","","","","has coordinates","219551","2020-10-21","18:00:00",""
"4002929","4.43579","0.00004","4.43579","0.00004","23.41553","0.00009","90","","90","","120","","399.003","0.005","295","","295","","","","100","","","","","3","P 63/m m c","-P 6c 2c","194","sodium zinc antimonide","","","- Na Sb3 Zn4 -","- Na Sb3 Zn4 -","- Na2 Sb6 Zn8 -","2","0.0833333","","Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki; Cox, Tori; Bhaskar, Gourab; Harmer, Colin; Sun, Yang; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Zaikina, Julia V.","From NaZn4Sb3 to HT-Na1‒xZn4‒ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02239","powder diffraction","x-ray","0.4128","","","","","","","0.12698","","0.15752","","3.196","","","","","","","has coordinates","219552","2020-10-21","18:00:00",""
"4002930","19.508","0.003","14.708","0.003","20.736","0.004","90","","90.402","0.005","90","","5949.5","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sodium zinc zntimonide","sodium zinc zntimonide","","- Na1.27 Sb4 Zn5.15 -","- Na1.27083 Sb4 Zn5.15367 -","- Na30.5 Sb96 Zn123.688 -","24","6","","Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki; Cox, Tori; Bhaskar, Gourab; Harmer, Colin; Sun, Yang; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Zaikina, Julia V.","From NaZn4Sb3 to HT-Na1‒xZn4‒ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02239","","","0.71073","MoKα","","0.0499","0.0392","","","0.0864","0.0912","","","","","","1.133","","","","has coordinates","219553","2020-10-21","18:00:00",""
"4002931","30.358","0.004","30.358","","35.177","0.004","90","","90","","120","","28076","5","100","2","100","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0416","0.0346","","","0.084","0.0851","","","","","","0.938","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002932","30.346","0.004","30.346","","35.303","0.004","90","","90","","120","","28154","5","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0396","0.033","","","0.0785","0.0795","","","","","","0.937","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002933","32.2456","0.0013","32.246","","33.3066","0.0013","90","","90","","120","","29992.1","1.7","200","2","200","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0352","0.0276","","","0.0597","0.0602","","","","","","0.987","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002934","32.1375","0.001","32.137","","33.4133","0.0012","90","","90","","120","","29886","1.4","250","2","250","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0312","0.0252","","","0.0413","0.0415","","","","","","1.039","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002935","32.0701","0.0011","32.07","","33.4201","0.0012","90","","90","","120","","29767.2","1.5","298","2","298","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0321","0.0272","","","0.0542","0.0547","","","","","","1.075","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002936","28.8591","0.0009","28.859","","35.5304","0.0013","90","","90","","120","","25626.8","1.2","100","2","100","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0641","0.0547","","","0.147","0.1506","","","","","","0.984","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002937","28.8433","0.0009","28.843","","35.7152","0.0015","90","","90","","120","","25731.7","1.3","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0812","0.0612","","","0.1594","0.1676","","","","","","0.915","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002938","31.473","0.0007","31.473","","33.1372","0.001","90","","90","","120","","28426.5","1.1","200","2","200","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0609","0.0521","","","0.1432","0.1463","","","","","","1.031","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002939","31.3244","0.001","31.324","","33.2713","0.0013","90","","90","","120","","28272.3","1.4","250","2","250","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0461","0.0431","","","0.1242","0.1272","","","","","","0.524","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002940","31.2164","0.0008","31.216","","33.3866","0.0011","90","","90","","120","","28174.9","1.2","298","2","298","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0438","0.0401","","","0.1133","0.1169","","","","","","0.47","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002941","29.2327","0.0015","29.233","","35.385","0.002","90","","90","","120","","26187","2","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0672","0.0535","","","0.126","0.1288","","","","","","0.931","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002942","17.9067","0.0014","17.605","0.0014","5.7065","0.0005","90","","90.212","0.002","90","","1798.9","0.3","175","5","175","5","","","","","","","","2","C 1 2/m 1","-C 2y","12","molybdenum pentachloride","","","- Cl5 Mo -","- Cl5 Mo -","- Cl60 Mo12 -","12","1.5","","McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.","Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5","Chemistry of Materials","2019","31","8","2952","","10.1021/acs.chemmater.9b00416","","","0.71073","MoKα","","0.0511","0.0402","","","0.0907","0.0965","","","","","","0.995","","","","has coordinates","220367","2020-10-21","18:00:00",""
"4002943","6.0628","0.0007","16.667","0.002","6.4569","0.0008","90","","115.502","0.002","90","","588.89","0.12","175","5","175","5","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","molybdenum pentachloride","","","- Cl5 Mo -","- Cl5 Mo -","- Cl20 Mo4 -","4","1","","McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.","Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5","Chemistry of Materials","2019","31","8","2952","","10.1021/acs.chemmater.9b00416","","","0.71073","MoKα","","0.0507","0.0498","","","0.1215","0.122","","","","","","1.129","","","","has coordinates","220367","2020-10-21","18:00:00",""
"4002944","7.789","0.004","10.221","0.006","7.344","0.004","90","","90","","90","","584.7","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- H4 I Mo N O6 -","- H4 I Mo N O6 -","- H16 I4 Mo4 N4 O24 -","4","1","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0292","0.0275","","","0.0592","0.06","","","","","","1.063","","","","has coordinates","220368","2020-10-21","18:00:00",""
"4002945","30.02","0.04","10.205","0.013","7.762","0.01","90","","103.786","0.015","90","","2309","5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- I2 K Mo2 O12 Rb -","- I2 K1.0495 Mo2 O12 Rb0.9505 -","- I16 K8.396 Mo16 O96 Rb7.604 -","8","2","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0632","0.0534","","","0.1125","0.1195","","","","","","1.049","","","","has coordinates","220369","2020-10-21","18:00:00",""
"4002946","7.82","0.0006","7.8238","0.0006","7.8325","0.0003","90","","90","","90","","479.21","0.06","573","","573","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0231","0.0185","","0.0283","0.0274","","","","1.85","","","","","","","has coordinates","220370","2020-10-21","18:00:00",""
"4002947","5.5495","0.0003","7.7714","0.0004","5.5088","0.0003","90","","90","","90","","237.58","0.02","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na4 Nb3.6 O11.8002 Ti0.4 -","4","1","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.54187","","","0.0418","0.0355","","0.0536","0.051","","","","3.03","","","","","","","has coordinates","220371","2020-10-21","18:00:00",""
"4002948","3.94456","0.00005","3.94456","0.00005","3.94456","0.00005","90","","90","","90","","61.3756","0.0013","993","","993","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.9499 Ti0.1 -","- Na Nb0.9 O2.9499 Ti0.1 -","1","0.0208333","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0239","0.0239","","0.0471","0.0471","","","","1.63","","","","","","","has coordinates","220372","2020-10-21","18:00:00",""
"4002949","7.8393","0.0003","7.8455","0.0004","7.8495","0.0003","90","","90","","90","","482.77","0.04","693","","693","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0296","0.0162","","0.0315","0.0277","","","","1.71","","","","","","","has coordinates","220373","2020-10-21","18:00:00",""
"4002950","5.5342","0.0003","7.7926","0.0003","5.5182","0.0003","90","","90","","90","","237.98","0.02","373","","373","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na4 Nb3.6 O11.8002 Ti0.4 -","4","1","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0298","0.0223","","0.0386","0.0367","","","","2.35","","","","","","","has coordinates","220374","2020-10-21","18:00:00",""
"4002951","10.8375","0.0007","10.7456","0.0006","6.6377","0.0004","90","","90","","90","","773","0.08","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ge Hg Se4 Sr -","- Ge Hg Se4 Sr -","- Ge4 Hg4 Se16 Sr4 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0456","0.0451","","","0.1113","0.1116","","","","","","1.131","","","","has coordinates","220375","2020-10-21","18:00:00",""
"4002952","11.255","0.002","11.033","0.002","6.6847","0.0013","90","","90","","90","","830.1","0.3","153","2","153","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Ge Hg Se4 -","- Ba Ge Hg Se4 -","- Ba4 Ge4 Hg4 Se16 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0441","0.0393","","","0.0955","0.0967","","","","","","1.116","","","","has coordinates","220376","2020-10-21","18:00:00",""
"4002953","7.2941","0.0005","15.3229","0.001","15.3893","0.001","90","","90","","90","","1720","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br4 N4 Zn -","- C10 H14 Br4 N4 Zn -","- C40 H56 Br16 N16 Zn4 -","4","1","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.018","0.0163","","","0.0344","0.0348","","","","","","1.008","","","","has coordinates","220377","2020-10-21","18:00:00",""
"4002954","6.7934","0.0007","13.8808","0.0015","18.685","0.002","90","","90","","90","","1762","0.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","DD115","di(4-aminopyridine)tetrabromomercurate","","- C10 H16 Br4 Hg N4 O -","- C10 H16 Br4 Hg N4 O -","- C40 H64 Br16 Hg4 N16 O4 -","4","0.5","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.0238","0.0172","","","0.0322","0.0338","","","","","","1.01","","","","has coordinates","220378","2020-10-21","18:00:00",""
"4002955","15.214","0.004","6.5316","0.0018","11.33","0.003","90","","96.646","0.004","90","","1118.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Nakamura, Tomoya; Shioya, Nobutaka; Shimoaka, Takafumi; Nishikubo, Ryosuke; Hasegawa, Takeshi; Saeki, Akinori; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi","Molecular Orientation Change in Naphthalene Diimide Thin Films Induced by Removal of Thermally Cleavable Substituents","Chemistry of Materials","2019","31","5","1729","","10.1021/acs.chemmater.8b05237","","","0.71073","MoKα","","0.0747","0.0427","","","0.1158","0.1478","","","","","","1.129","","","","has coordinates","220379","2020-10-21","18:00:00",""
"4002956","5.0627","0.0005","10.0139","0.0011","16.3981","0.0017","89.874","0.004","85.867","0.003","80.53","0.004","817.84","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Celecixib","4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","","Wang, Kunlin; Mishra, Manish Kumar; Sun, Changquan Calvin","Exceptionally Elastic Single-Component Pharmaceutical Crystals","Chemistry of Materials","2019","31","5","1794","","10.1021/acs.chemmater.9b00040","","","0.71073","MoKα","","0.0588","0.0409","","","0.0834","0.0911","","","","","","1.1","","","","has coordinates","220380","2020-10-21","18:00:00",""
"4002957","10.8429","0.00006","10.8429","0.00006","10.8429","0.00006","90","","90","","90","","1274.78","0.012","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","?Cs2NaBiCl6?","- Bi Cl6 Cs2 Na -","- Bi Cl6 Cs2 Na -","- Bi4 Cl24 Cs8 Na4 -","4","0.0208333","","Majher, Jackson D.; Gray, Matthew B.; Strom, T. Amanda; Woodward, Patrick M.","Cs2NaBiCl6:Mn2+—A New Orange-Red Halide Double Perovskite Phosphor","Chemistry of Materials","2019","31","5","1738","","10.1021/acs.chemmater.8b05280","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","05:55:36",""
"4002958","5.5751","0.0004","25.0978","0.0018","12.0481","0.0008","90","","91.294","0.003","90","","1685.4","0.2","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 -","- C23 H24 -","- C92 H96 -","4","1","","Abdulhamid, Mahmoud A.; Lai, Holden W. H.; Wang, Yingge; Jin, Zexin; Teo, Yew Chin; Ma, Xiaohua; Pinnau, Ingo; Xia, Yan","Microporous Polyimides from Ladder Diamines Synthesized by Facile Catalytic Arene‒Norbornene Annulation as High-Performance Membranes for Gas Separation","Chemistry of Materials","2019","31","5","1767","","10.1021/acs.chemmater.8b05359","","x-ray","0.7749","","","0.0533","0.0468","","","0.1236","0.1289","","","","","","1.045","","","","has coordinates","220382","2020-10-21","18:00:00",""
"4002959","13.348","0.003","7.9703","0.0016","6.1343","0.0012","90","","90","","90","","652.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium thio-phosphate thio-silicate","","","- Li7 P S8 Si -","- Li7 P S8 Si -","- Li14 P2 S16 Si2 -","2","0.25","","Harm, Sascha; Hatz, Anna-Katharina; Moudrakovski, Igor; Eger, Roland; Kuhn, Alexander; Hoch, Constantin; Lotsch, Bettina V.","Lesson Learned from NMR: Characterization and Ionic Conductivity of LGPS-like Li7SiPS8","Chemistry of Materials","2019","31","4","1280","","10.1021/acs.chemmater.8b04051","","","0.71073","MoKα","","0.0383","0.0237","","","0.0484","0.0524","","","","","","0.883","","","","has coordinates","220383","2020-10-21","18:00:00",""
"4002960","12.8917","0.0006","15.4364","0.0007","18.9628","0.0008","90","","90.9808","0.0018","90","","3773.1","0.3","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H38 Cl2 N4 -","- C49 H38 Cl2 N4 -","- C196 H152 Cl8 N16 -","4","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0655","0.0475","","","0.1181","0.1289","","","","","","1.022","","","","has coordinates,has disorder","220384","2020-10-21","18:00:00",""
"4002961","23.7795","0.0007","31.6796","0.0009","28.2823","0.0008","90","","105.925","0.0014","90","","20488.1","1","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 F9 N7 -","- C86.75 H53.2 F9 N6.78333 -","- C1041 H638.4 F108 N81.4 -","12","3","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","","1.54184","CuKα","","0.2054","0.0875","","","0.1951","0.2584","","","","","","0.963","","","","has coordinates,has disorder","220385","2020-10-21","18:00:00",""
"4002962","11.597","0.0006","11.7168","0.0007","30.9436","0.0017","90","","94.632","0.004","90","","4190.9","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 F9 N4 -","- C51 H33 F9 N4 -","- C204 H132 F36 N16 -","4","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","1.54184","CuKα","","0.0845","0.053","","","0.1237","0.1404","","","","","","1.017","","","","has coordinates","220386","2020-10-21","18:00:00",""
"4002963","13.5152","0.0009","15.9168","0.0011","16.6423","0.0011","85.84","0.003","81.097","0.003","87.662","0.003","3526","0.4","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H53 Cl8 N7 -","- C84.75 H52.5 Cl8 N7 -","- C169.5 H105 Cl16 N14 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0777","0.0503","","","0.118","0.1297","","","","","","1.043","","","","has coordinates,has disorder","220387","2020-10-21","18:00:00",""
"4002964","8.8469","0.0004","14.7416","0.0007","17.2028","0.0008","78.926","0.0016","75.5208","0.0016","78.6689","0.0016","2105.66","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F18 N4 -","- C48 H30 F18 N4 -","- C96 H60 F36 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0515","0.0359","","","0.0858","0.0922","","","","","","1.024","","","","has coordinates","220388","2020-10-21","18:00:00",""
"4002965","12.6152","0.001","13.4441","0.0011","17.6978","0.0014","103.975","0.003","108.229","0.003","99.666","0.003","2668.3","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H48 N4 -","- C78 H48 N4 -","- C156 H96 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0785","0.05","","","0.128","0.1404","","","","","","1.041","","","","has coordinates","220389","2020-10-21","18:00:00",""
"4002966","13.2691","0.0005","17.2803","0.0007","17.4319","0.0006","83.5287","0.0015","71.3655","0.0014","75.6091","0.0014","3666.2","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80.5 H59 Cl11 N4 -","- C81 H54 Cl6 N4 -","- C162 H108 Cl12 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0802","0.0637","","","0.1633","0.1742","","","","","","1.058","","","","has coordinates,has disorder","220390","2020-10-21","18:00:00",""
"4002967","8.0302","0.0002","42.395","0.0009","9.439","0.0002","90","","97.458","0.002","90","","3186.23","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C32 H24 I3 N5 Pb -","- C32 H24 I3 N5 Pb -","- C128 H96 I12 N20 Pb4 -","4","1","","Marchal, Nadège; Van Gompel, Wouter; Gélvez-Rueda, María C.; Vandewal, Koen; Van Hecke, Kristof; Boyen, Hans-Gerd; Conings, Bert; Herckens, Roald; Maheshwari, Sudeep; Lutsen, Laurence; Quarti, Claudio; Grozema, Ferdinand C.; Vanderzande, Dirk; Beljonne, David","Lead-Halide Perovskites Meet Donor‒Acceptor Charge-Transfer Complexes","Chemistry of Materials","2019","31","17","6880","","10.1021/acs.chemmater.9b01289","","x-ray","0.71073","MoKα","","0.0286","0.026","","","0.0541","0.0556","","","","","","1.041","","","","has coordinates","220391","2020-10-21","18:00:00",""
"4002968","8.60863","0.00016","14.2697","0.0003","5.32468","0.0001","90","","100.651","0.0007","90","","642.83","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Se4 -","- C12 H10 Se4 -","- C24 H20 Se8 -","2","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0347","0.0328","","","0.0767","0.0779","","","","","","1.097","","","","has coordinates","220392","2020-10-21","18:00:00",""
"4002969","14.5203","0.0004","5.27442","0.00015","15.8554","0.0004","90","","90","","90","","1214.3","0.06","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C48 H40 S8 Se8 -","4","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0692","0.0586","","","0.1527","0.1605","","","","","","1.032","","","","has coordinates","220393","2020-10-21","18:00:00",""
"4002970","5.32021","0.0001","7.28902","0.00017","8.31911","0.00019","81.0598","0.0015","80.9249","0.0015","71.7042","0.0013","300.53","0.012","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","1","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0607","0.0566","","","0.1393","0.1442","","","","","","1.076","","","","has coordinates","220394","2020-10-21","18:00:00",""
"4002971","8.4327","0.0002","13.6718","0.0003","5.46391","0.00014","90","","99.7583","0.0016","90","","620.82","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Se4 -","- C12 H10 Se4 -","- C24 H20 Se8 -","2","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0563","0.0504","","","0.1132","0.1162","","","","","","1.07","","","","has coordinates","220395","2020-10-21","18:00:00",""
"4002972","7.13182","0.00014","7.33176","0.00014","22.8392","0.0004","90","","90","","90","","1194.23","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","di(ortho-methylphenyl) selane","","- C14 H14 Se -","- C14 H14 Se -","- C56 H56 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0926","0.0928","","","","","","1.061","","","","has coordinates,has disorder","220396","2020-10-21","18:00:00",""
"4002973","9.74881","0.00017","6.68747","0.00014","16.9645","0.0003","90","","90.755","0.0015","90","","1105.9","0.04","297.6","0.1","297.6","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,6-dimethyldibenzoselenophene","","- C14 H12 Se -","- C14 H12 Se -","- C56 H48 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0328","0.0299","","","0.0873","0.1114","","","","","","1.222","","","","has coordinates","220397","2020-10-21","18:00:00",""
"4002974","6.64274","0.00017","18.4437","0.0005","16.9726","0.0004","90","","90","","90","","2079.43","0.09","298.48","0.1","298.48","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzioquinone 4,6-dimethyldibenzoselenophene","","- C22 H12 Br2 N2 O2 Se -","- C22 H12 Br2 N2 O2 Se -","- C88 H48 Br8 N8 O8 Se4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0221","0.021","","","0.0547","0.0549","","","","","","1.074","","","","has coordinates,has disorder","220398","2020-10-21","18:00:00",""
"4002975","6.6092","0.0001","18.3407","0.0002","16.8277","0.0001","90","","90","","90","","2039.81","0.04","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Br2 N2 O2 S -","- C22 H12 Br2 N2 O2 S -","- C88 H48 Br8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0374","0.0349","","","0.0819","0.0899","","","","","","1.074","","","","has coordinates,has disorder","220399","2020-10-21","18:00:00",""
"4002976","6.6291","0.0005","9.706","0.0007","16.5873","0.0007","77.051","0.005","88.795","0.004","72.485","0.006","990.66","0.12","298.7","0.5","298.7","0.5","","","","","","","","6","P -1","-P 1","2","","4,6-dimethyldibenzoselenophene 2,3-dichloro-5,6-dicyanobenzoquinone","","- C22 H12 Cl2 N2 O2 Se -","- C22 H12 Cl2 N2 O2 Se -","- C44 H24 Cl4 N4 O4 Se2 -","2","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0844","0.0755","","","0.2017","0.2098","","","","","","1.105","","","","has coordinates,has disorder","220400","2020-10-21","18:00:00",""
"4002977","14.7769","0.0007","14.7769","0.0007","13.6748","0.0009","90","","90","","120","","2585.9","0.2","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H24 Bi2 I10 N4 O2 -","- C6 H24 Bi2 I10 N4 O2 -","- C18 H72 Bi6 I30 N12 O6 -","3","0.5","","Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C.","Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure","Chemistry of Materials","2019","31","6","1941","","10.1021/acs.chemmater.8b04642","","","0.71073","MoKα","","0.0444","0.0319","","","0.065","0.0704","","","","","","1.043","","","","has coordinates","220401","2020-10-21","18:00:00",""
"4002978","5.9997","0.0008","5.9997","0.0008","5.9997","0.0008","90","","90","","90","","215.97","0.05","296","2","296","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ga2 Li Rh -","- Ga2 Li Rh -","- Ga8 Li4 Rh4 -","4","0.0208333","","Carnicom, Elizabeth M.; Xie, Weiwei; Yang, Zoe; Górnicka, Karolina; Kong, Tai; Klimczuk, Tomasz; Cava, Robert J.","Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh","Chemistry of Materials","2019","31","6","2164","","10.1021/acs.chemmater.9b00258","","","0.71073","MoKα","","0.0185","0.0185","","","0.051","0.051","","","","","","1.416","","","","has coordinates","220402","2020-10-21","18:00:00",""
"4002979","9.344","0.0016","9.344","0.0016","14.498","0.004","90","","90","","120","","1096.2","0.4","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 Lu8 N0 O25 Zn0 -","- C3 Br Lu8 O25 -","- C6 Br2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0672","0.0522","","","0.1098","0.1519","","","","","","1.062","","","","has coordinates","220403","2020-10-21","18:00:00",""
"4002980","9.4927","0.0009","9.4927","0.0009","14.752","0.003","90","","90","","120","","1151.2","0.3","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 N0 O25 Y8 Zn0 -","- C3 Br O25 Y8 -","- C6 Br2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.06","0.0502","","","0.1014","0.1053","","","","","","0.981","","","","has coordinates","220404","2020-10-21","18:00:00",""
"4002981","9.354","0.0016","9.354","0.0016","14.415","0.003","90","","90","","120","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C3 Cl Lu8 O25 -","- C3 Cl Lu8 O25 -","- C6 Cl2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0381","0.0367","","","0.0759","0.0766","","","","","","1.142","","","","has coordinates","220405","2020-10-21","18:00:00",""
"4002982","9.5353","0.0012","9.5353","0.0012","14.729","0.005","90","","90","","120","","1159.8","0.4","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 Cl O25 Y8 -","- C3 H15 Cl O25 Y8 -","- C6 H30 Cl2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0622","0.0532","","","0.0978","0.1015","","","","","","1.183","","","","has coordinates","220406","2020-10-21","18:00:00",""
"4002983","32.082","0.003","8.3226","0.0006","10.4238","0.0008","90","","90","","90","","2783.2","0.4","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C2 H12 Br4 N6 Sn -","- C2 H12 Br4 N6 Sn -","- C16 H96 Br32 N48 Sn8 -","8","2","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.","Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.","Chemistry of materials : a publication of the American Chemical Society","2019","31","6","2121","2129","10.1021/acs.chemmater.9b00038","","x-ray","0.71073","MoKα","","0.0574","0.0348","","","0.0674","0.0738","","","","","","1.013","","","","has coordinates","220407","2020-10-21","18:00:00",""
"4002984","6.0112","0.001","11.5363","0.0018","17.342","0.003","90","","90","","90","","1202.6","0.3","250","","250","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C H6 Br4 Cs N3 Sn -","- C H6 Br4 Cs N3 Sn -","- C4 H24 Br16 Cs4 N12 Sn4 -","4","0.25","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.","Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.","Chemistry of materials : a publication of the American Chemical Society","2019","31","6","2121","2129","10.1021/acs.chemmater.9b00038","","","0.71073","MoKα","","0.0279","0.0227","","","0.0512","0.053","","","","","","1.032","","","","has coordinates","220408","2020-10-21","18:00:00",""
"4002985","16.93","0.003","17.029","0.003","16.693","0.003","90","","92.61","0.03","90","","4807.6","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Mn4 Sb18 Yb21 -","- Mn3.923 Sb18 Yb20.9416 -","- Mn15.692 Sb72 Yb83.7664 -","4","0.5","","He, Allan; Bux, Sabah K.; Hu, Yufei; Uhl, David; Li, Li; Donadio, Davide; Kauzlarich, Susan M.","Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18","Chemistry of Materials","2019","31","19","8076","","10.1021/acs.chemmater.9b02671","","","0.71073","MoKα","","0.0284","0.0224","","","0.0394","0.0411","","","","","","1.142","","","","has coordinates,has disorder","220409","2020-10-21","18:00:00",""
"4002986","15.8869","0.0013","18.505","0.003","27.6655","0.0015","90","","102.617","0.007","90","","7936.9","1.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H80 Br2 N4 O2 S4 -","- C94 H80 Br2 N4 O2 S4 -","- C376 H320 Br8 N16 O8 S16 -","4","1","","Qu, Jianfei; Li, Duning; Wang, Huan; Zhou, Jiadong; Zheng, Nan; Lai, Hanjian; Liu, Tao; Xie, Zengqi; He, Feng","Bromination of the Small-Molecule Acceptor with Fixed Position for High-Performance Solar Cells","Chemistry of Materials","2019","31","19","8044","","10.1021/acs.chemmater.9b02501","","x-ray","1.54184","CuKα","","0.2461","0.131","","","0.3258","0.4238","","","","","","1.252","","","","has coordinates","220410","2020-10-21","18:00:00",""
"4002987","13.0467","0.0018","8.0707","0.0012","6.1395","0.0009","90","","90","","90","","646.46","0.16","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.21 P0.85 S4 Si0.15 -","- Li3.216 P0.85 S4 Si0.15 -","- Li12.864 P3.4 S16 Si0.6 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0506","0.0355","","","0.0726","0.0754","","","","","","1.213","","","","has coordinates","220411","2020-10-21","18:00:00",""
"4002988","13.4165","0.0019","7.9107","0.0011","6.1283","0.0008","90","","90","","90","","650.42","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.58 P0.5 S4 Si0.5 -","- Li3.57 P0.5 S4 Si0.5 -","- Li14.28 P2 S16 Si2 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0543","0.0373","","","0.0893","0.0995","","","","","","1.005","","","","has coordinates","220412","2020-10-21","18:00:00",""
"4002989","6.112","0.002","7.781","0.003","6.88","0.003","90","","91.147","0.009","90","","327.1","0.2","280","2","280","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li3.83 P0.2 S4 Si0.8 -","- Li3.82 P0.2 S4 Si0.8 -","- Li7.64 P0.4 S8 Si1.6 -","2","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.065","0.048","","","0.1146","0.1216","","","","","","1.117","","","","has coordinates","220413","2020-10-21","18:00:00",""
"4002990","13.675","0.0018","7.7946","0.001","6.1411","0.0009","90","","90","","90","","654.59","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.66 P0.33 S4 Si0.67 -","- Li3.65 P0.33 S4 Si0.67 -","- Li14.6 P1.32 S16 Si2.68 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0472","0.0441","","","0.1158","0.1185","","","","","","1.099","","","","has coordinates","220414","2020-10-21","18:00:00",""
"4002991","13.158","0.0012","8.0286","0.0007","6.1287","0.0005","90","","90","","90","","647.44","0.1","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.28 P0.75 S4 Si0.25 -","- Li3.274 P0.75 S4 Si0.25 -","- Li13.096 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0263","0.0192","","","0.0438","0.0461","","","","","","1.036","","","","has coordinates","220415","2020-10-21","18:00:00",""
"4002992","13.156","0.007","8.016","0.004","6.132","0.003","90","","90","","90","","646.7","0.6","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.23 P0.75 S4 Si0.25 -","- Li3.224 P0.75 S4 Si0.25 -","- Li12.896 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0458","0.0311","","","0.0686","0.0737","","","","","","0.984","","","","has coordinates","220416","2020-10-21","18:00:00",""
"4002993","13.2489","0.0004","8.0094","0.0002","6.1311","0.0002","90","","90","","90","","650.61","0.03","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.33 P0.67 S4 Si0.33 -","- Li3.324 P0.67 S4 Si0.33 -","- Li13.296 P2.68 S16 Si1.32 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0142","0.013","","","0.0358","0.0368","","","","","","0.838","","","","has coordinates","220417","2020-10-21","18:00:00",""
"4002994","8.63101","0.00011","8.95452","0.0001","15.8648","0.0002","90","","95.9401","0.0013","90","","1219.55","0.03","225","0.1","225","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0538","0.0396","","","0.0873","0.0919","","","","","","0.984","","","","has coordinates","220418","2020-10-21","18:00:00",""
"4002995","8.6061","0.0001","8.9116","0.0001","15.8703","0.0002","90","","95.141","0.001","90","","1212.26","0.02","104","0.8","104","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","220419","2020-10-21","18:00:00",""
"4002996","8.69555","0.00015","9.24417","0.00016","27.5255","0.0006","90","","97.6029","0.0019","90","","2193.13","0.07","106","6","106","6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 F2 I4 N2 Pb -","- C14 H18 F2 I4 N2 Pb -","- C56 H72 F8 I16 N8 Pb4 -","4","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0413","0.0313","","","0.0602","0.0626","","","","","","1.065","","","","has coordinates","220420","2020-10-21","18:00:00",""
"4002997","16.9722","0.0002","8.8779","0.00012","8.67966","0.00011","90","","103.356","0.0014","90","","1272.46","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I6 N2 Pb -","- C14 H18 I6 N2 Pb -","- C28 H36 I12 N4 Pb2 -","2","0.5","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0517","0.0526","","","","","","1.045","","","","has coordinates","220421","2020-10-21","18:00:00",""
"4002998","19.4841","0.0015","19.4841","0.0015","29.403","0.002","90","","90","","120","","9666.8","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Ni-MaSOF","","","- C64 H34 N6 Ni3 O6 S0.67 -","- C64 H34 N6 Ni3 O6 -","- C384 H204 N36 Ni18 O36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.066","0.0448","","","0.108","0.1173","","","","","","1.031","","","","has coordinates","220422","2020-10-21","18:00:00",""
"4002999","19.647","0.004","19.647","0.004","29.805","0.006","90","","90","","120","","9964","4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Cu-MaSOF","","","- C76 H70 Cu3 N6 O12 S6 -","- C76 H70 Cu3 N6 O12 S6 -","- C456 H420 Cu18 N36 O72 S36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.1402","0.0803","","","0.1994","0.2395","","","","","","1.033","","","","has coordinates,has disorder","220422","2020-10-21","18:00:00",""
"4003000","13.739","0.0013","19.3401","0.0019","21.343","0.002","90","","90","","90","","5671.1","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Ba5 Cl10 F20 O27 -","- C20 Ba5 Cl10 F20 O27 -","- C80 Ba20 Cl40 F80 O108 -","4","1","","Dissanayake, K. Tauni; Amarasinghe, Dinesh K.; Suescun, Leopoldo; Rabuffetti, Federico A.","Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors","Chemistry of Materials","2019","31","16","6262","","10.1021/acs.chemmater.9b02384","","","0.71073","MoKα","","0.0861","0.0572","","","0.1068","0.1183","","","","","","1.013","","","","has coordinates,has disorder","220423","2020-10-21","18:00:00",""
"4003001","18.6737","0.0004","18.6737","0.0004","38.3967","0.001","90","","90","","120","","11595.4","0.5","95","2","95","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C12 H7 Cu O7 -","- C12 H7 Cu O7 -","- C216 H126 Cu18 O126 -","18","0.5","","Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu","Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity","Chemistry of Materials","2019","31","20","8494","","10.1021/acs.chemmater.9b02924","","","0.71073","MoKα","","0.0578","0.0539","","","0.1857","0.1878","","","","","","1.176","","","","has coordinates,has disorder","220424","2020-10-21","18:00:00",""
"4003002","18.8598","0.0006","18.8598","0.0006","37.7513","0.0018","90","","90","","120","","11628.8","0.8","273","2","273","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C13 H5 Cu O9 -","- C13 H5 Cu O9 -","- C234 H90 Cu18 O162 -","18","0.5","","Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu","Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity","Chemistry of Materials","2019","31","20","8494","","10.1021/acs.chemmater.9b02924","","","0.71073","MoKα","","0.1238","0.1069","","","0.2759","0.2903","","","","","","1.229","","","","has coordinates,has disorder","220425","2020-10-21","18:00:00",""
"4003003","15.4911","0.0009","5.4136","0.0003","33.149","0.003","90","","97.184","0.006","90","","2758.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl0 N2 O0 S4 -","- C28 H38 N2 S4 -","- C112 H152 N8 S16 -","4","1","","Cao, Zhixiong; Chen, Jiale; Liu, Shengjian; Qin, Minchao; Jia, Tao; Zhao, Jiaji; Li, Qingduan; Ying, Lei; Cai, Yue-Peng; Lu, Xinhui; Huang, Fei; Cao, Yong","Understanding of Imine Substitution in Wide-Bandgap Polymer Donor-Induced Efficiency Enhancement in All-Polymer Solar Cells","Chemistry of Materials","2019","31","20","8533","","10.1021/acs.chemmater.9b03570","","x-ray","1.54184","CuKα","","0.0874","0.0626","","","0.1591","0.1771","","","","","","1.029","","","","has coordinates","220426","2020-10-21","18:00:00",""
"4003004","12.5046","0.0006","7.6471","0.0003","12.9975","0.0006","90","","90","","90","","1242.87","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As8 Mg3 Si3 -","- As8 Mg3 Si3 -","- As32 Mg12 Si12 -","4","0.5","","Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill","Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity","Chemistry of Materials","2019","31","20","8286","","10.1021/acs.chemmater.9b03740","","","0.71073","MoKα","","0.0137","0.012","","","0.0268","0.0283","","","","","","1.273","","","","has coordinates","220427","2020-10-21","18:00:00",""
"4003005","29.7184","0.0013","6.1756","0.0003","12.247","0.0005","90","","92.7847","0.001","90","","2245.02","0.17","298","2","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 I4 N2 Pb S2 -","- C12 H18 I4 N2 Pb S2 -","- C48 H72 I16 N8 Pb4 S8 -","4","0.5","","Jana, Manoj K.; Liu, Chi; Lidin, Sven; Dirkes, David J.; You, Wei; Blum, Volker; Mitzi, David B.","Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite","Chemistry of Materials","2019","31","20","8523","","10.1021/acs.chemmater.9b03208","","","0.71073","MoKα","","0.0642","0.0548","","","0.2025","0.2168","","","","","","1.197","","","","has coordinates,has disorder","220428","2020-10-21","18:00:00",""
"4003006","18.6809","0.0009","19.188","0.003","12.7644","0.0006","90","","90","","90","","4575.4","0.8","280","0.1","280","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H14 I4 N4 Pb -","- C2 H12.9572 I4 N4 Pb -","- C24 H155.486 I48 N48 Pb12 -","12","1.5","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.0787","0.0437","","","0.092","0.1075","","","","","","1.129","","","","has coordinates,has disorder","220429","2020-10-21","18:00:00",""
"4003007","18.466","0.0007","19.0768","0.0011","12.638","0.001","89.996","0.004","90.032","0.005","90.004","0.005","4452","0.5","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C2 H14 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C24 H168 I48 N48 Pb12 -","12","6","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.1249","0.0679","","","0.1649","0.2072","","","","","","0.983","","","","has coordinates","220430","2020-10-21","18:00:00",""
"4003008","35.1264","0.0011","27.9091","0.001","29.5657","0.0012","90","","90","","90","","28984.6","1.8","160","","160","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C716 H695.2 Ag232 Cs24 N46 O56 S192 -","8","1","","Wei, Xiao; Kang, Xi; Yuan, Qianqin; Qin, Chenwanli; Jin, Shan; Wang, Shuxin; Zhu, Manzhou","Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly","Chemistry of Materials","2019","31","13","4945","","10.1021/acs.chemmater.9b01890","","","0.71073","MoKα","","0.0736","0.049","","","0.1305","0.1427","","","","","","1.038","","","","has coordinates,has disorder","220431","2020-10-21","18:00:00",""
"4003009","26.7649","0.0018","26.7649","0.0018","26.7649","0.0018","90","","90","","90","","19173","2","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","catena-(tetrakis(m2-2-Butylimidazolato)-di-zinc)","","","- C14 H22 N4 Zn -","- C14 H22 N4 Zn -","- C672 H1056 N192 Zn48 -","48","0.5","","Titi, Hatem M.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Mottillo, Cristina; Ayoub, Ghada; Do, Jean-Louis; Fidelli, Athena M.; Rogers, Robin D.; Friščić, Tomislav","Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs","Chemistry of Materials","2019","31","13","4882","","10.1021/acs.chemmater.9b01488","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.076","9.325","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003010","35.4961","0.0019","11.188","0.0005","21.9119","0.0016","90","","94.224","0.011","90","","8678.2","0.9","292.15","","292.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MUF-17","","- C32 H38 Co5 N4 O26 -","- C32 H38 Co5 N4 O26 -","- C256 H304 Co40 N32 O208 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Telfer, Shane G.","Multipurpose Metal‒Organic Framework for the Adsorption of Acetylene: Ethylene Purification and Carbon Dioxide Removal","Chemistry of Materials","2019","31","13","4919","","10.1021/acs.chemmater.9b01691","","x-ray","1.54178","CuKα","","0.199","0.1503","","","0.3628","0.4129","","","","","","1.42","","","","has coordinates","220433","2020-10-21","18:00:00",""
"4003011","3.3379","0.0005","3.3379","0.0005","12.2147","0.0018","90","","90","","120","","117.86","0.03","273","2","273","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","1","0.0416667","","Huang, Chong; Wang, Xin; Wang, Dong; Zhao, Wei; Bu, Kejun; Xu, Jijian; Huang, Xieyi; Bi, Qingyuan; Huang, Jian; Huang, Fuqiang","Atomic Pillar Effect in PdxNbS2 To Boost Basal Plane Activity for Stable Hydrogen Evolution","Chemistry of Materials","2019","31","13","4726","","10.1021/acs.chemmater.9b00821","","","0.71073","MoKα","","0.0294","0.0223","","","0.0478","0.0484","","","","","","1.085","","","","has coordinates","220434","2020-10-21","18:00:00",""
"4003012","5.502008","0.000009","2.948246","0.000004","4.059604","0.000007","90","","90","","90","","65.852","0.00018","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","FeB","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220435","2020-10-21","18:00:00",""
"4003013","5.563182","0.000006","2.97685","0.000003","4.147243","0.000004","90","","90","","90","","68.6815","0.00012","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","MnB","- B Mn -","- B Mn -","- B4 Mn4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220436","2020-10-21","18:00:00",""
"4003014","9.313","0.002","7.0555","0.0014","14.116","0.003","90","","97.977","0.004","90","","918.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C13 H7 Cl2 N5 O3 Ru S -","- C26 H14 Cl4 N10 O6 Ru2 S2 -","2","0.5","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0656","0.0543","","","0.1368","0.1449","","","","","","1.061","","","","has coordinates,has disorder","220437","2020-10-21","18:00:00",""
"4003015","9.224","0.003","7.117","0.002","14.262","0.005","90","","99.945","0.005","90","","922.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C11 H15 Cl2 N5 O3 Ru S -","- C22 H30 Cl4 N10 O6 Ru2 S2 -","2","1","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0831","0.0553","","","0.1269","0.1452","","","","","","1.028","","","","has coordinates,has disorder","220438","2020-10-21","18:00:00",""
"4003016","10.3676","0.0002","5.99871","0.00012","4.71309","0.00009","90","","90","","90","","293.118","0.01","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Fe1.055 Li0.945 O4 P0.837 -","- Fe1.068 Li0.93201 O4 P0.841 -","- Fe4.272 Li3.72804 O16 P3.364 -","4","1","","Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries","Chemistry of Materials","2019","31","14","5035","","10.1021/acs.chemmater.9b00627","powder diffraction","neutron","1.54733","neutron","","0.0277","0.0277","","0.0368","0.0368","","","","1.64","","","","","","","has coordinates","220439","2020-10-21","18:00:00",""
"4003017","10.3385","0.0002","5.99521","0.00013","4.70108","0.0001","90","","90","","90","","291.38","0.01","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Fe1.035 Li0.965 O4 P0.905 -","- Fe1.0354 Li0.96503 O4 P0.906 -","- Fe4.1416 Li3.86012 O16 P3.624 -","4","1","","Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries","Chemistry of Materials","2019","31","14","5035","","10.1021/acs.chemmater.9b00627","powder diffraction","neutron","1.5472","neutron","","0.018","0.0179","","0.0267","0.0267","","","","1.52","","","","","","","has coordinates","220440","2020-10-21","18:00:00",""
"4003018","43.611","0.003","7.3973","0.0005","7.1455","0.0005","90","","96.283","0.004","90","","2291.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Organic compound","","","- C28 H6 F10 O2 S2 -","- C28 H6 F10 O2 S2 -","- C112 H24 F40 O8 S8 -","4","0.5","","Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil","High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs","Chemistry of Materials","2019","31","14","5254","","10.1021/acs.chemmater.9b01614","","","0.71073","MoKα","","0.0488","0.0391","","","0.0986","0.104","","","","","","1.035","","","","has coordinates","220441","2020-10-21","18:00:00",""
"4003019","5.564","0.003","5.564","0.003","5.564","0.003","90","","90","","90","","172.25","0.16","180","2","180","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0516","0.0516","","","0.1392","0.1392","","","","","","1.256","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003020","5.5377","0.0007","5.5377","0.0007","5.5377","0.0007","90","","90","","90","","169.82","0.04","230","2","230","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0193","0.0193","","","0.0489","0.0489","","","","","","1.188","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003021","5.5519","0.0008","5.5519","0.0008","5.5519","0.0008","90","","90","","90","","171.13","0.04","300","2","300","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0173","0.0173","","","0.0431","0.0431","","","","","","1.272","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003022","5.507","0.002","5.507","0.002","5.507","0.002","90","","90","","90","","167.01","0.11","180","2","179.97","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0657","0.0588","","","0.166","0.1753","","","","","","1.2","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003023","5.5382","0.0011","5.5382","0.0011","5.5382","0.0011","90","","90","","90","","169.87","0.06","230","2","229.97","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0297","0.0297","","","0.059","0.059","","","","","","1.318","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003024","5.5592","0.0009","5.5592","0.0009","5.5592","0.0009","90","","90","","90","","171.81","0.05","298","2","298.03","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0162","0.0162","","","0.0342","0.0342","","","","","","1.31","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003025","8.2432","0.0017","8.2432","0.0017","10.021","0.002","90","","90","","120","","589.7","0.2","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","1","0.0833333","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Alexander, Grant C. B.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","From 0D Cs3Bi2I9 to 2D Cs3Bi2I6Cl3: Dimensional Expansion Induces a Direct Band Gap but Enhances Electron‒Phonon Coupling","Chemistry of Materials","2019","31","7","2644","","10.1021/acs.chemmater.9b00636","","","0.71073","MoKα","","0.0459","0.0426","","","0.1206","0.1242","","","","","","1.16","","","","has coordinates","220444","2020-10-21","18:00:00",""
"4003026","6.54","0.006","6.54","0.006","12.214","0.011","90","","90","","90","","522.4","0.8","297","2","297","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba Be20 N14 -","- Ba Be20 N14 -","- Ba2 Be40 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0274","0.0271","","","0.058","0.0581","","","","","","1.082","","","","has coordinates","220445","2020-10-21","18:00:00",""
"4003027","6.5241","0.0008","6.5241","0.0008","12.1357","0.0017","90","","90","","90","","516.54","0.12","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Be20 Eu N14 -","- Be20 Eu N14 -","- Be40 Eu2 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0161","0.016","","","0.032","0.032","","","","","","1.122","","","","has coordinates","220446","2020-10-21","18:00:00",""
"4003028","6.525","0.002","6.525","0.002","12.133","0.004","90","","90","","90","","516.6","0.3","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","SrBe20N14","","","- Be20 N14 Sr -","- Be20 N14 Sr -","- Be40 N28 Sr2 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0409","0.0324","","","0.052","0.0542","","","","","","1.126","","","","has coordinates","220447","2020-10-21","18:00:00",""
"4003029","5.4475","0.0001","5.4475","0.0001","5.4475","0.0001","90","","90","","90","","161.656","0.005","100","2","100","2","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.166667","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0214","0.0189","","","0.0393","0.0401","","","","","","1.223","","","","has coordinates","220448","2020-10-21","18:00:00",""
"4003030","6.3742","0.0003","5.6156","0.0003","5.6288","0.0003","90","","119.628","0.002","90","","175.139","0.016","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.5","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0184","0.0179","","","0.0392","0.0394","","","","","","1.228","","","","has coordinates","220449","2020-10-21","18:00:00",""
"4003031","6.1145","0.0001","28.731","0.0005","8.9259","0.0002","90","","91.487","0.002","90","","1567.54","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 O2 Pb -","- C6 H18 Br4 N2 O2 Pb -","- C24 H72 Br16 N8 O8 Pb4 -","4","1","","Zhou, Guojun; Jiang, Xingxing; Molokeev, Maxim; Lin, Zheshuai; Zhao, Jing; Wang, Jing; Xia, Zhiguo","Optically Modulated Ultra-Broad-Band Warm White Emission in Mn2±Doped (C6H18N2O2)PbBr4 Hybrid Metal Halide Phosphor","Chemistry of Materials","2019","31","15","5788","","10.1021/acs.chemmater.9b01864","","x-ray","1.54184","CuKα","","0.0239","0.0226","","","0.0587","0.0596","","","","","","1.063","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4003032","24.4853","0.0011","42.1654","0.0014","17.1403","0.0006","90","","90","","90","","17696.2","1.2","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Ethanol","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.0958","0.0706","","","0.1983","0.2197","","","","","","1.066","","","","has coordinates,has disorder","220451","2020-10-21","18:00:00",""
"4003033","16.1063","0.0007","28.5501","0.0008","40.9518","0.0009","90","","90","","90","","18831.1","1.1","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114-Water","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0772","0.073","","","0.1992","0.2035","","","","","","1.042","","","","has coordinates,has disorder","220452","2020-10-21","18:00:00",""
"4003034","21.4419","0.0008","42.3169","0.001","17.9262","0.0005","90","","90","","90","","16265.4","0.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-DCM","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1428","0.1295","","","0.3874","0.4043","","","","","","1.692","","","","has coordinates,has disorder","220453","2020-10-21","18:00:00",""
"4003035","16.0688","0.0007","28.8004","0.0015","41.0306","0.0017","90","","90","","90","","18988.5","1.5","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0474","0.0444","","","0.1427","0.1457","","","","","","1.13","","","","has coordinates,has disorder","220454","2020-10-21","18:00:00",""
"4003036","21.1937","0.0018","42.4945","0.0015","17.8951","0.0006","90","","90","","90","","16116.6","1.6","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Acetone","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1278","0.1175","","","0.3434","0.3607","","","","","","1.609","","","","has coordinates,has disorder","220455","2020-10-21","18:00:00",""
"4003037","25.7916","0.0015","41.7841","0.0011","16.8545","0.0004","90","","90","","90","","18163.7","1.2","149.99","0.1","149.99","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-40C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.1232","0.1139","","","0.3225","0.3333","","","","","","1.078","","","","has coordinates,has disorder","220456","2020-10-21","18:00:00",""
"4003038","26.6952","0.0015","41.2943","0.0011","16.8339","0.0006","90","","90","","90","","18557","1.3","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Toluene","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0962","0.0808","","","0.2438","0.2535","","","","","","1.065","","","","has coordinates,has disorder","220457","2020-10-21","18:00:00",""
"4003039","20.557","0.002","42.7525","0.0017","17.8758","0.0007","90","","90","","90","","15710.4","1.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Ether","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1492","0.1298","","","0.3497","0.3751","","","","","","1.545","","","","has coordinates,has disorder","220458","2020-10-21","18:00:00",""
"4003040","21.0637","0.0007","42.3687","0.0011","18.0144","0.0004","90","","90","","90","","16076.8","0.8","150","0.1","150","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-80C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1524","0.136","","","0.3562","0.3721","","","","","","1","","","","has coordinates,has disorder","220459","2020-10-21","18:00:00",""
"4003041","8.0335","0.0016","13.03","0.003","18.499","0.004","103.47","0.03","97.48","0.03","105.21","0.03","1779","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.56 H1.94 N0.22 O0.22 -","- C2.55556 H2 N0.222222 O0.222222 -","- C92 H72 N8 O8 -","36","18","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1305","0.084","","","0.1669","0.1854","","","","","","1.168","","","","has coordinates","220460","2020-10-21","18:00:00",""
"4003042","9.362","0.002","11.627","0.003","15.805","0.004","90","","90","","90","","1720.4","0.7","296","2","296.31","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0595","0.043","","","0.1003","0.1086","","","","","","1.028","","","","has coordinates","220461","2020-10-21","18:00:00",""
"4003043","16.771","0.003","13.662","0.002","8.2368","0.0013","90","","90","","90","","1887.3","0.5","298","2","297.89","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0392","0.0358","","","0.0847","0.0866","","","","","","1.094","","","","has coordinates","220462","2020-10-21","18:00:00",""
"4003044","16.813","0.003","7.4763","0.0015","31.999","0.006","90","","90","","90","","4022.2","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C200 H176 N16 O16 -","8","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1006","0.0519","","","0.1192","0.1495","","","","","","1.091","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4003045","6.93886","0.00014","8.694","0.0002","12.4532","0.0003","88.911","0.002","87.481","0.002","68.358","0.002","697.62","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","tetra-aqua-(2,5-dihydroxyterephthalato)-cobalt dihydrate","","- C8 H16 Co O12 -","- C8 H16 Co O12 -","- C16 H32 Co2 O24 -","2","1","","Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav","Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry","Chemistry of Materials","2019","31","15","5494","","10.1021/acs.chemmater.9b01068","powder diffraction","","0.7093","MoKα~1~","","1.24","","","","","","","","2.7","","","","","","","has coordinates","220464","2020-10-21","18:00:00",""
"4003046","6.9497","0.0005","8.6455","0.0005","12.4065","0.0009","89.144","0.005","87.701","0.006","67.707","0.006","689.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 Ni O12 -","- C8 H16 Ni O12 -","- C16 H32 Ni2 O24 -","2","1","","Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav","Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry","Chemistry of Materials","2019","31","15","5494","","10.1021/acs.chemmater.9b01068","","","1.54184","CuKα","","0.0548","0.0494","","","0.1289","0.1355","","","","","","1.062","","","","has coordinates","220465","2020-10-21","18:00:00",""
"4003047","4.618","0.006","12.47","0.017","15.1","0.02","89.59","0.02","82.08","0.02","83.28","0.02","855","2","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H19 I3 N2 O Pb -","- C7 H19 I3 N2 O Pb -","- C14 H38 I6 N4 O2 Pb2 -","2","1","","Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.","Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films","Chemistry of Materials","2019","31","15","5832","","10.1021/acs.chemmater.9b01952","","","0.71073","MoKα","","0.1146","0.0492","","","0.0739","0.0856","","","","","","0.874","","","","has coordinates","220466","2020-10-21","18:00:00",""
"4003048","4.5723","0.0002","25.3424","0.0011","12.1782","0.0005","90","","96.075","0.003","90","","1403.2","0.1","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.","Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films","Chemistry of Materials","2019","31","15","5832","","10.1021/acs.chemmater.9b01952","","","0.71073","MoKα","","0.1267","0.074","","","0.1674","0.1898","","","","","","1.043","","","","has coordinates","220467","2020-10-21","18:00:00",""
"4003049","18.3099","0.0004","10.9142","0.0003","8.4635","0.0002","90","","90","","90","","1691.33","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi I5 N2 -","- C4 H14 Bi I5 N2 -","- C16 H56 Bi4 I20 N8 -","4","1","","Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua","A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation","Chemistry of Materials","2019","31","15","5927","","10.1021/acs.chemmater.9b02263","","","0.71073","MoKα","","0.0704","0.0664","","","0.1737","0.1775","","","","","","1.094","","","","has coordinates","220468","2020-10-21","18:00:00",""
"4003050","7.819","0.003","6.147","0.003","6.133","0.002","105.28","0.04","103.21","0.05","96.37","0.05","272.2","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V.","β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries","Chemistry of Materials","2019","31","18","7463","","10.1021/acs.chemmater.9b02124","powder diffraction","x-ray","1.5406","CuKa1","","0.052","0.052","","0.0763","0.0763","","","","12.51","","","","","","","has coordinates","220469","2020-10-21","18:00:00",""
"4003051","7.1142","0.0007","10.0709","0.0007","8.0816","0.0006","90","","109.091","0.009","90","","547.17","0.08","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Na O7 P2 V -","- Na O7 P2 V -","- Na4 O28 P8 V4 -","4","1","","Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V.","β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries","Chemistry of Materials","2019","31","18","7463","","10.1021/acs.chemmater.9b02124","powder diffraction","x-ray","1.54056","CuKa1","","0.0222","0.0222","","0.0315","0.0315","","","","2.76","","","","","","","has coordinates","220470","2020-10-21","18:00:00",""
"4003052","13.3591","0.0019","13.3591","0.0019","42.446","0.005","90","","90","","90","","7575.1","1.8","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","PFC-17","","- C11.75 H11.75 N11.75 O11.75 Zn11.75 -","- C20 H12 N9 O4 Zn2 -","- C160 H96 N72 O32 Zn16 -","8","0.5","","Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong","Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks","Chemistry of Materials","2019","31","18","7584","","10.1021/acs.chemmater.9b02375","","","0.71073","MoKα","","0.0898","0.0846","","","0.214","0.217","","","","","","1.08","","","","has coordinates","220471","2020-10-21","18:00:00",""
"4003053","10.49049","0.00013","10.56034","0.00009","10.50156","0.00013","90","","90","","90","","1163.4","0.02","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.39 S0.11 -","- Cd16 Nb16 O54.24 S1.76 -","16","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","2.05","","","","","","","has coordinates","220472","2020-10-21","18:00:00",""
"4003054","10.373405","0.000002","10.373405","0.000002","10.373405","0.000002","90","","90","","90","","1116.26","0.0004","340","","340","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.9785 Nb O3.447 -","- Cd15.656 Nb16 O55.152 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.02","","","","","","","has coordinates","220473","2020-10-21","18:00:00",""
"4003055","7.47367","0.00004","7.473783","0.000034","10.56693","0.00004","90","","90","","90","","590.233","0.005","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.14 S0.36 -","- Cd8 Nb8 O25.12 S2.88 -","8","2","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.99","","","","","","","has coordinates","220474","2020-10-21","18:00:00",""
"4003056","10.570977","0.000003","10.570977","0.000003","10.570977","0.000003","90","","90","","90","","1181.26","0.0006","440","","440","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.1405 S0.3595 -","- Cd16 Nb16 O50.248 S5.752 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.12","","","","","","","has coordinates","220475","2020-10-21","18:00:00",""
"4003057","10.521513","0.000008","10.521513","0.000008","10.521513","0.000008","90","","90","","90","","1164.76","0.0015","340","","340","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.3935 S0.106 -","- Cd16 Nb16 O54.296 S1.696 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.3","","","","","","","has coordinates","220476","2020-10-21","18:00:00",""
"4003058","7.320662","0.000007","10.370384","0.000012","7.330492","0.000009","90","","90","","90","","556.517","0.0011","100","","100","","","","","","","","","3","I m a 2","I 2 -2a","46","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.98 Nb O3.45 -","- Cd7.84 Nb8 O27.6 -","8","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.09","","","","","","","has coordinates","220477","2020-10-21","18:00:00",""
"4003059","39.768","0.004","39.768","0.004","11.9155","0.0013","90","","90","","120","","16320","3","100","","100","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C17.12 H8 Br Hf1.5 O8 -","- C17.125 H8 Br Hf1.5 O8 -","- C205.5 H96 Br12 Hf18 O96 -","12","0.5","","Lyu, Jiafei; Zhang, Xuan; Li, Peng; Wang, Xingjie; Buru, Cassandra T.; Bai, Peng; Guo, Xianghai; Farha, Omar K.","Exploring the Role of Hexanuclear Clusters as Lewis Acidic Sites in Isostructural Metal‒Organic Frameworks","Chemistry of Materials","2019","31","11","4166","","10.1021/acs.chemmater.9b00960","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0838","0.0864","","","","","","1.066","","","","has coordinates,has disorder","220478","2020-10-21","18:00:00",""
"4003060","15.3654","0.0011","8.2286","0.0006","19.8784","0.0016","90","","98.196","0.003","90","","2487.7","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 B F4 N O6 S -","- C24 H33 B F4 N O6 S -","- C96 H132 B4 F16 N4 O24 S4 -","4","1","","Attanayake, N. Harsha; Kowalski, Jeffrey A.; Greco, Katharine V.; Casselman, Matthew D.; Milshtein, Jarrod D.; Chapman, Steven J.; Parkin, Sean R.; Brushett, Fikile R.; Odom, Susan A.","Tailoring Two-Electron-Donating Phenothiazines To Enable High-Concentration Redox Electrolytes for Use in Nonaqueous Redox Flow Batteries","Chemistry of Materials","2019","31","12","4353","","10.1021/acs.chemmater.8b04770","","","0.71073","MoKα","","0.0365","0.0332","","","0.0853","0.0877","","","","","","1.034","","","","has coordinates","220479","2020-10-21","18:00:00",""
"4003061","4.4848","0.0006","9.8986","0.0013","20.4187","0.0007","90","","131.157","0.006","90","","682.48","0.14","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N5 O2 -","- C6 H5 N5 O2 -","- C24 H20 N20 O8 -","4","1","","Hirsch, Anna; Palmer, Benjamin A.; Ramasubramaniam, Ashwin; Williams, P. Andrew; Harris, Kenneth D. M.; Pokroy, Boaz; Weiner, Steve; Addadi, Lia; Leiserowitz, Leslie; Kronik, Leeor","Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison","Chemistry of Materials","2019","31","12","4479","","10.1021/acs.chemmater.9b01039","powder diffraction","x-ray","1.5406","","","","","","","","","0.34554","","1.13","","","","","","","has coordinates","220480","2020-10-21","18:00:00",""
"4003062","5.1316","0.0007","5.4889","0.0008","10.9666","0.0012","81.345","0.011","80.683","0.01","77.455","0.012","295.4","0.07","275","","275","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1313","0.0556","","0.0269","0.0248","0.0248","","","","","","0.9986","","","","has coordinates","220481","2020-10-21","18:00:00",""
"4003063","4.8906","0.0005","5.7517","0.0005","10.8475","0.0009","81.785","0.007","81.137","0.008","77.49","0.008","292.43","0.05","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1333","0.0645","","0.1371","0.1249","0.1249","","","","","","0.9998","","","","has coordinates","220482","2020-10-21","18:00:00",""
"4003064","4.7821","0.0005","5.8258","0.0006","10.7018","0.001","81.926","0.008","81.568","0.008","76.993","0.008","285.57","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1078","0.076","","0.1978","0.1836","0.1836","","","","","","1","","","","has coordinates","220483","2020-10-21","18:00:00",""
"4003065","4.9887","0.0004","5.635","0.0005","10.9175","0.0008","81.612","0.006","80.726","0.006","77.499","0.007","293.74","0.04","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1065","0.0549","","0.0659","0.0516","0.0516","","","","","","1","","","","has coordinates","220484","2020-10-21","18:00:00",""
"4003066","8.2924","0.0005","6.6543","0.0005","10.9934","0.0006","90","","101.594","0.006","90","","594.24","0.07","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C20 H12 Cl4 N4 O8 -","2","0.25","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1006","0.0511","","0.0168","0.0158","0.0158","","","","","","0.9993","","","","has coordinates","220485","2020-10-21","18:00:00",""
"4003067","4.8242","0.0003","5.8096","0.0003","10.7703","0.0006","81.848","0.005","81.421","0.005","77.317","0.005","289.33","0.03","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1184","0.0758","","0.1801","0.171","0.171","","","","","","1","","","","has coordinates","220486","2020-10-21","18:00:00",""
"4003068","9.8897","0.001","31.038","0.003","9.657","0.0009","90","","90","","90","","2964.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 Br4 Cd N2 -","- C24 H40 Br4 Cd N2 -","- C96 H160 Br16 Cd4 N8 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0694","0.0573","","","0.1363","0.1454","","","","","","1.051","","","","has coordinates","220487","2020-10-21","18:00:00",""
"4003069","9.675","0.002","9.911","0.002","16.382","0.004","94.071","0.006","104.294","0.006","115.155","0.005","1349.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Br4 Cd N2 -","- C22 H36 Br4 Cd N2 -","- C44 H72 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0556","0.0452","","","0.1147","0.1258","","","","","","1.047","","","","has coordinates","220488","2020-10-21","18:00:00",""
"4003070","9.554","0.004","9.071","0.004","15.206","0.006","90","","94.369","0.013","90","","1314","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Cd N2 -","- C20 H32 Br4 Cd N2 -","- C40 H64 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0728","0.0604","","","0.1342","0.1392","","","","","","1.008","","","","has coordinates","220489","2020-10-21","18:00:00",""
"4003071","27.016","0.004","27.016","0.004","17.719","0.004","90","","90","","120","","11200","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C156 H220 I7 In9 N24 O66 -","- C87 H36 I7.02 In9 N6 O44.98 -","- C174 H72 I14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0519","0.039","","","0.1119","0.1165","","","","","","1.053","","","","has coordinates,has disorder","220490","2020-10-21","18:00:00",""
"4003072","26.835","0.004","26.835","0.004","17.863","0.004","90","","90","","120","","11140","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Cl7 In9 N21 O63 -","- C84 H36 Cl7.02 In9 N6 O44.98 -","- C168 H72 Cl14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.1298","0.1074","","","0.2842","0.2986","","","","","","1.036","","","","has coordinates,has disorder","220491","2020-10-21","18:00:00",""
"4003073","26.945","0.004","26.945","0.004","17.792","0.004","90","","90","","120","","11187","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Br7 In9 N21 O63 -","- C84 H36 Br7.02 In9 N6 O44.98 -","- C168 H72 Br14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0623","0.0519","","","0.1371","0.1413","","","","","","1.097","","","","has coordinates,has disorder","220492","2020-10-21","18:00:00",""
"4003074","12.1135","0.0003","3.83754","0.00009","5.2749","0.0002","90","","100.909","0.003","90","","240.778","0.013","295","","295","","","","14100000","","","","","2","C 1 2/m 1","-C 2y","12","","","NiBi2","- Bi2 Ni -","- Bi2 Ni -","- Bi8 Ni4 -","4","0.5","","Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E.","Controlling Dimensionality in the Ni‒Bi System with Pressure","Chemistry of Materials","2019","31","3","955","","10.1021/acs.chemmater.8b04412","powder diffraction","","0.4066","","","1.45","","","","","","","","0.4","","","","","","","has coordinates","220493","2020-10-21","18:00:00",""
"4003075","12.80484","0.00004","4.04053","0.000012","5.51174","0.00002","90","","100.988","0.0003","90","","279.94","0.0016","100","","100","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","NiBi2","- Bi2 Ni -","- Bi2 Ni -","- Bi8 Ni4 -","4","0.5","","Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E.","Controlling Dimensionality in the Ni‒Bi System with Pressure","Chemistry of Materials","2019","31","3","955","","10.1021/acs.chemmater.8b04412","powder diffraction","","0.412717","","","1.45","","","","","","","","0.4","","","","","","","has coordinates","220494","2020-10-21","18:00:00",""
"4003076","6.3354","0.0003","19.8007","0.0009","12.5707","0.0005","90","","90.757","0.002","90","","1576.8","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","shs244m","","","- C7 H12 I4 N2 Pb -","- C7 H12 I4 N2 Pb -","- C28 H48 I16 N8 Pb4 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0309","0.0298","","","0.0801","0.0806","","","","","","1.294","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003077","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003078","8.8952","0.0002","19.7237","0.0005","8.925","0.0002","90","","92.2131","0.0007","90","","1564.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 I4 N3 Pb -","- C5 H9 I4 N3 Pb -","- C20 H36 I16 N12 Pb4 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.031","0.03","","","0.0717","0.0721","","","","","","1.224","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003079","12.6656","0.0003","20.5236","0.0005","12.8846","0.0003","90","","94.6417","0.0007","90","","3338.29","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","je328m","","","- C14 H34 I8 N4 Pb2 -","- C14 H34 I8 N4 Pb2 -","- C56 H136 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0317","0.0244","","","0.053","0.0571","","","","","","1.034","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003080","12.4948","0.0003","19.7152","0.0004","12.5841","0.0003","90","","96.4396","0.0008","90","","3080.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C40 H88 I32 N24 Pb8 -","8","2","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0267","","","0.0451","0.0494","","","","","","1.097","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003081","20.6609","0.0006","8.9123","0.0003","22.7613","0.0006","90","","115.758","0.001","90","","3774.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 I10 N6 O2 Pb3 -","- C10 H24 I10 N6 O2 Pb3 -","- C40 H96 I40 N24 O8 Pb12 -","4","0.5","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0263","0.0221","","","0.0422","0.0437","","","","","","1.111","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003082","10.86215","0.00015","11.41095","0.00011","17.09812","0.00016","84.6203","0.0005","75.4586","0.0008","84.3682","0.0009","2036.22","0.04","298","","298","","","","","","","","see text","6","P -1","-P 1","2","","","","- C42 H35 Eu N6 O8 S2 -","- C42 H35 Eu N6 O8 S2 -","- C84 H70 Eu2 N12 O16 S4 -","2","1","","Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V.","Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials","Chemistry of Materials","2019","31","3","759","","10.1021/acs.chemmater.8b03675","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0032","1.627","","","","","","","has coordinates","220496","2020-10-21","18:00:00",""
"4003083","16.876","0.003","13.357","0.0019","19.197","0.003","90","","108.49","0.003","90","","4103.9","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N8 O6.5 S2 Yb -","- C41 H36 N8 O6.5 S2 Yb -","- C164 H144 N32 O26 S8 Yb4 -","4","1","","Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V.","Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials","Chemistry of Materials","2019","31","3","759","","10.1021/acs.chemmater.8b03675","","","0.71073","MoKα","","0.1273","0.0583","","","0.119","0.1441","","","","","","1.012","","","","has coordinates","220497","2020-10-21","18:00:00",""
"4003084","17.188","0.002","17.188","0.002","11.041","0.002","90","","90","","90","","3261.8","0.8","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Chloride","","","- Cl3 Cs In -","- Cl3 Cs In -","- Cl60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.1318","0.0977","","","0.3031","0.3318","","","","","","1.197","","","","has coordinates","223366","2020-10-21","18:00:00",""
"4003085","17.8982","0.0006","17.8982","0.0006","11.5351","0.0005","90","","90","","90","","3695.2","0.2","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Bromide","","","- Br3 Cs In -","- Br3 Cs In -","- Br60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.1181","0.1001","","","0.2965","0.3163","","","","","","1.089","","","","has coordinates","223367","2020-10-21","18:00:00",""
"4003086","17.0057","0.0003","17.0057","0.0003","11.0266","0.0003","90","","90","","90","","3188.82","0.12","300","2","300","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Chloride","","","- Cl3 Cs In -","- Cl3 Cs In -","- Cl60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.0316","0.0287","","","0.075","0.0768","","","","","","1.145","","","","has coordinates","223368","2020-10-21","18:00:00",""
"4003087","9.2542","0.0001","13.6419","0.0002","24.1148","0.0003","90","","90","","90","","3044.37","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Cl5 N2 Sb -","- C26 H44 Cl5 N2 Sb -","- C104 H176 Cl20 N8 Sb4 -","4","1","","Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun","Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02935","","x-ray","0.71073","MoKα","","0.0232","0.0221","","","0.0433","0.0437","","","","","","1.026","","","","has coordinates","225394","2020-10-21","18:00:00",""
"4003088","12.6371","0.001","13.9398","0.001","14.1728","0.0012","90","","90","","90","","2496.7","0.3","100","0.1","100","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H40 Cl5 N2 Sb -","- C16 H40 Cl5 N2 Sb -","- C64 H160 Cl20 N8 Sb4 -","4","0.5","","Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun","Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02935","","x-ray","1.54178","CuKα","","0.0773","0.0735","","","0.2018","0.2075","","","","","","1.086","","","","has coordinates,has disorder","225395","2020-10-21","18:00:00",""
"4003140","5.5672","0.0001","8.2191","0.0002","4.7841","0.0001","90","","90","","90","","218.908","0.008","224","8","224","8","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H2 K Mg O5 P -","- H2 K Mg O5 P -","- H4 K2 Mg2 O10 P2 -","2","0.5","","Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin","KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4","Chemistry of Materials","2019","31","22","9540","","10.1021/acs.chemmater.9b03950","","x-ray","1.3405","GaKα","","0.0184","0.0183","","","0.0459","0.046","","","","","","1.019","","","","has coordinates","246545","2020-10-21","18:00:00",""
"4003141","12.87191","0.00014","28.0795","0.0005","7.06792","0.00008","90","","90","","90","","2554.61","0.06","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 S Sm -","- C4 N O11 P2 S Sm -","- C32 N8 O88 P16 S8 Sm8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.04308","","4.5","","","","","","","has coordinates","231134","2020-10-21","18:00:00",""
"4003142","12.93108","0.00033","27.9525","0.001","7.11941","0.00016","90","","90","","90","","2573.35","0.13","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N Nd O11 P2 S -","- C4 N Nd O11 P2 S -","- C32 N8 Nd8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.03607","","1.2","","","","","","","has coordinates","231135","2020-10-21","18:00:00",""
"4003143","12.8176","0.0005","27.9047","0.0022","7.05997","0.00024","90","","90","","90","","2525.1","0.2","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 Eu N O11 P2 S -","- C4 Eu N O11 P2 S -","- C32 Eu8 N8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.04989","","2.58","","","","","","","has coordinates","231136","2020-10-21","18:00:00",""
"4003144","12.98444","0.00014","27.9499","0.0006","7.15462","0.00008","90","","90","","90","","2596.51","0.07","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 Pr S -","- C4 N O11 P2 Pr S -","- C32 N8 O88 P16 Pr8 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.01678","","3.74","","","","","","","has coordinates","231137","2020-10-21","18:00:00",""
"4003145","12.7521","0.0006","27.9893","0.0014","7.01895","0.00031","90","","90","","90","","2505.2","0.2","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 S Tb -","- C4 N O11 P2 S Tb -","- C32 N8 O88 P16 S8 Tb8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","Mokα~1~","","","","","","","","0.0448","","1.67","","","","","","","has coordinates","231138","2020-10-21","18:00:00",""
"4003146","12.78286","0.00028","27.9621","0.0008","7.04068","0.00015","90","","90","","90","","2516.59","0.11","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 Gd N O11 P2 S -","- C4 Gd N O11 P2 S -","- C32 Gd8 N8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.03691","","1.2","","","","","","","has coordinates","231139","2020-10-21","18:00:00",""
"4003147","12.07238","0.00032","7.51473","0.00017","14.28074","0.00031","90","","103.098","0.0016","90","","1261.86","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 La N O11 P2 S -","- C4 La N O11 P2 S -","- C16 La4 N4 O44 P8 S4 -","4","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","Synchrotron","","","","","","","","0.04569","","10.08","","","","","","","has coordinates","231140","2020-10-21","18:00:00",""
"4003407","10.8305","0.0009","19.5979","0.0016","22.3531","0.0018","90","","102.385","0.003","90","","4634.1","0.7","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-bromocarbazole-9-yl)-1,3,5-trikis(carbazol-9-yl)-4,6-dicyanobenzene, acetonitrile solvate","","- C60 H37 Br N8 -","- C60 H37 Br N8 -","- C240 H148 Br4 N32 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.0992","0.0818","","","0.1753","0.1813","","","","","","1.281","","","","has coordinates,has disorder","236603","2020-10-21","18:00:00",""
"4003408","13.2748","0.0005","23.4797","0.0009","17.4296","0.0006","90","","100.334","0.0015","90","","5344.5","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene, tetrahydrofuran solvate","","- C68 H56 N6 O3 -","- C68 H56 N6 O3 -","- C272 H224 N24 O12 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.0677","0.0475","","","0.111","0.1225","","","","","","1.028","","","","has coordinates,has disorder","236605","2020-10-21","18:00:00",""
"4003409","11.782","0.0005","17.9094","0.0007","20.0156","0.0008","98.415","0.0018","100.812","0.0019","102.134","0.0017","3979.2","0.3","100","","100","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,5-tetrakis(3,6-tertbutylcarbazol-9-yl)-4,6-dicyanobenzene, hexane solvate","","- C94 H110 N6 -","- C88 H96 N6 -","- C176 H192 N12 -","2","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.6889","synchrotron","","0.0947","0.08","","","0.2155","0.2339","","","","","","1.113","","","","has coordinates,has disorder","236607","2020-10-21","18:00:00",""
"4003410","17.1156","0.001","10.1624","0.0006","22.57","0.0013","90","","93.262","0.002","90","","3919.4","0.4","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrakis(carbazol-9-yl)-1,4-dicyanobenzene","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.0701","0.0443","","","0.0961","0.1066","","","","","","1.03","","","","has coordinates","236609","2020-10-21","18:00:00",""
"4003411","13.6522","0.001","16.8556","0.0012","22.942","0.002","90","","90","","90","","5279.3","0.7","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene, chloroform solvate","","- C59 H35 Cl9 N6 -","- C59 H35 Cl9 N6 -","- C236 H140 Cl36 N24 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.0555","0.0464","","","0.118","0.1241","","","","","","1.032","","","","has coordinates,has disorder","236611","2020-10-21","18:00:00",""
"4003412","11.2959","0.0005","11.6028","0.0005","15.7669","0.0007","102.481","0.0016","96.643","0.0016","116.453","0.0015","1752.48","0.14","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C88 H96 N6 -","- C88 H96 N6 -","- C88 H96 N6 -","1","0.5","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.081","0.0506","","","0.1174","0.1298","","","","","","1.022","","","","has coordinates,has disorder","236613","2020-10-21","18:00:00",""
"4003413","13.501","0.0005","23.489","0.0009","17.2129","0.0007","90","","101.522","0.0014","90","","5348.6","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrakis(carbazol-9-yl)-1,4-dicyanobenzene, acetone solvate","","- C66.5 H53 N6 O3.5 -","- C66.5 H53 N6 O3.5 -","- C266 H212 N24 O14 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","","0.71073","MoKα","","0.0757","0.0575","","","0.1503","0.1636","","","","","","1.04","","","","has coordinates,has disorder","236614","2020-10-21","18:00:00",""
"4003414","13.0766","0.0012","13.5258","0.0013","15.2752","0.0013","80.949","0.004","66.259","0.003","71.062","0.004","2338.1","0.4","120","2","120","","","","","","","","","5","P -1","-P 1","2","","1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene, mixed solvate","","- C60.4 H41.2 Cl1.6 N6 O0.8 -","- C60 H39 Cl1.6 N6 O0.8 -","- C120 H78 Cl3.2 N12 O1.6 -","2","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.0705","0.0479","","","0.1223","0.1323","","","","","","1.042","","","","has coordinates,has disorder","236617","2020-10-21","18:00:00",""
"4003415","10.9331","0.0003","19.6323","0.0006","22.4761","0.0006","90","","102.34","0.0015","90","","4712.9","0.2","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-bromocarbazole-9-yl)-1,3,5-trikis(carbazol-9-yl)-4,6-dicyanobenzene, acetonitrile solvate","","- C60 H37 Br N8 -","- C60 H37 Br N8 -","- C240 H148 Br4 N32 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","","1.54178","CuKα","","0.1053","0.0797","","","0.1871","0.1999","","","","","","1.117","","","","has coordinates,has disorder","236618","2020-10-21","18:00:00",""
"4003416","70.128","0.003","21.4702","0.0008","18.5758","0.0007","90","","94.086","0.002","90","","27897.8","1.9","120","2","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene, acetonitrile solvate","","- C59.6 H37.4 N7.8 -","- C58.719 H35.9 N7.30233 -","- C1409.26 H861.6 N175.256 -","24","3","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","1.54184","CuKα","","0.2128","0.0829","","","0.1744","0.227","","","","","","0.998","","","","has coordinates,has disorder","236620","2020-10-21","18:00:00",""
"4003417","8.9077","0.0006","19.4451","0.0013","23.7968","0.0015","78.143","0.003","84.235","0.003","89.989","0.003","4012.6","0.5","120","","120","","","","","","","","","3","P -1","-P 1","2","","1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","2","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.1473","0.0785","","","0.1865","0.2238","","","","","","1.012","","","","has coordinates","236623","2020-10-21","18:00:00",""
"4003418","11.9194","0.0004","18.1784","0.0006","20.0895","0.0007","97.775","0.002","99.395","0.002","101.293","0.002","4148","0.2","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,5-tetrakis(3,6-tertbutylcarbazol-9-yl)-4,6-dicyanobenzene, cyclohexane disolvate","","- C100 H120 N6 -","- C88 H96 N6 -","- C176 H192 N12 -","2","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","1.54184","CuKα","","0.1186","0.069","","","0.1688","0.1994","","","","","","1.047","","","","has coordinates,has disorder","236626","2020-10-21","18:00:00",""
"4003431","6.4244","0.0009","11.1727","0.0016","16.207","0.002","90","","94.208","0.004","90","","1160.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","NaUBO","","","- B12 Na2 O26 U2 -","- B12 Na2 O26 U2 -","- B24 Na4 O52 U4 -","2","0.5","","Liu, Wei; Song, Enhai; Cheng, Liwei; Song, Liping; Xie, Jian; Li, Guodong; Zhang, Yugang; Wang, Yanlong; Wang, Yaxing; Xia, Zhiguo; Chai, Zhifang; Wang, Shuao","Introducing Uranium as the Activator toward Highly Stable Narrow-Band Green Emitters with Near-Unity Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03130","","","0.71073","MoKα","","0.0255","0.0243","","","0.0663","0.0668","","","","","","1.124","","","","has coordinates","242268","2020-10-21","18:00:00",""
"4003432","23.5987","0.0008","9.4951","0.0002","15.7871","0.0005","90","","91.653","0.003","90","","3535.98","0.18","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-bromo-N,N,N-trimethylethan-1-aminium tetrabromomanganate(II)","","- C12 H30 Br6 Mn N2 -","- C12 H30 Br6 Mn N2 -","- C72 H180 Br36 Mn6 N12 -","6","1.5","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.1023","0.0577","","","0.0719","0.0813","","","","","","1.078","","","","has coordinates","243736","2020-10-21","18:00:00",""
"4003433","15.9617","0.0004","10.3605","0.0003","16.664","0.0004","90","","110.844","0.003","90","","2575.39","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzyl-N,N,N-trimethylammonium tetrabromomanganate(II)","","- C20 H44 Cl4 Mn N2 -","- C20 H44 Cl4 Mn N2 -","- C80 H176 Cl16 Mn4 N8 -","4","1","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.0542","0.0421","","","0.0815","0.0857","","","","","","1.125","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4003434","9.7389","0.0002","9.3411","0.0002","15.7868","0.0003","90","","94.833","0.002","90","","1431.05","0.05","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-benzyl-N,N,N-trimethylammonium tetraiodomanganate(II)","","- C20 H32 I4 Mn N2 -","- C20 H32 I4 Mn N2 -","- C40 H64 I8 Mn2 N4 -","2","1","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.0253","0.0239","","","0.0521","0.0528","","","","","","1.061","","","","has coordinates","243738","2020-10-21","18:00:00",""
"4003435","9.5066","0.0002","8.9878","0.0002","29.1439","0.0007","90","","91.006","0.002","90","","2489.77","0.1","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-benzyl-N,N,N-trimethylammonium tetrachloromanganate(II)","","- C20 H32 Cl4 Mn N2 -","- C20 H32 Cl4 Mn N2 -","- C80 H128 Cl16 Mn4 N8 -","4","2","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.1125","0.103","","","0.2698","0.2797","","","","","","1.06","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4003436","10.7797","0.0004","10.8247","0.0004","13.9842","0.0005","95.93","0.003","111.005","0.002","104.877","0.002","1437.36","0.1","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","","1.54178","CuKα","","0.0722","0.0458","","","0.1146","0.1337","","","","","","1.007","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003437","10.8315","0.0006","10.9695","0.0005","14.0301","0.0006","96.526","0.004","110.256","0.003","105.326","0.004","1469","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","","1.54178","CuKα","","0.1012","0.0541","","","0.1264","0.1539","","","","","","0.92","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003438","9.7905","0.0004","9.3048","0.0006","16.1235","0.0007","90","","96.838","0.004","90","","1458.38","0.13","143","0.1","143","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","0.71073","MoKα","","0.0712","0.0461","","","0.0789","0.0877","","","","","","1.009","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003439","9.7865","0.0003","9.3003","0.0003","16.1043","0.0004","90","","96.748","0.003","90","","1455.62","0.07","292.5","0.4","292.5","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.0575","0.0522","","","0.1389","0.1478","","","","","","1.039","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003440","9.6751","0.0003","19.2046","0.0007","15.8341","0.0005","90","","92.7","0.003","90","","2938.81","0.17","296.3","0.9","296.3","0.9","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C156 H112 N12 -","4","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.061","0.0518","","","0.1449","0.156","","","","","","1.016","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003441","9.8431","0.0014","9.8431","0.0014","10.8128","0.0013","90","","90","","120","","907.3","0.2","383","2","383","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Br Cd N4 S3 -","- C9.98 Br Cd N4 S3 -","- C19.96 Br2 Cd2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.4592","0.3351","","","0.5509","0.5691","","","","","","1.336","","","","has coordinates","245091","2020-10-21","18:00:00",""
"4003442","9.5649","0.001","9.5649","0.001","10.7489","0.0009","90","","90","","120","","851.64","0.14","308","2","308","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Cd F N4 S3 -","- C9.98 Cd F N4 S3 -","- C19.96 Cd2 F2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2098","0.173","","","0.3526","0.3558","","","","","","1.183","","","","has coordinates","245092","2020-10-21","18:00:00",""
"4003443","18.702","0.002","17.0024","0.0018","10.8512","0.0007","90","","90","","90","","3450.5","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Br Cd N4 S3 -","- C10 H17 Br Cd N4 S3 -","- C80 H136 Br8 Cd8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.101","0.0698","","","0.1638","0.1793","","","","","","1.044","","","","has coordinates","245093","2020-10-21","18:00:00",""
"4003444","17.8302","0.0005","17.2839","0.0006","10.7115","0.0003","90","","90","","90","","3301.02","0.17","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd F N4 S3 -","- C10 H17 Cd F N4 S3 -","- C80 H136 Cd8 F8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.0271","0.0238","","","0.1025","0.1125","","","","","","1.018","","","","has coordinates","245094","2020-10-21","18:00:00",""
"4003445","9.7644","0.0014","9.7644","0.0014","10.8126","0.0015","90","","90","","120","","892.8","0.2","360","2","360","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Cd Cl N4 S3 -","- C9.98 Cd Cl N4 S3 -","- C19.96 Cd2 Cl2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2315","0.1876","","","0.3751","0.3811","","","","","","1.519","","","","has coordinates","245095","2020-10-21","18:00:00",""
"4003446","9.5741","0.0008","9.5741","0.0008","10.7918","0.0006","90","","90","","120","","856.68","0.11","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H18 Cd N4 S3 -","- C9.98 Cd N4 S3 -","- C19.96 Cd2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2203","0.203","","","0.3833","0.3848","","","","","","1.173","","","","has coordinates","245096","2020-10-21","18:00:00",""
"4003447","18.4818","0.0012","17.0544","0.0011","10.8438","0.0003","90","","90","","90","","3417.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd Cl N4 S3 -","- C10 H17 Cd Cl N4 S3 -","- C80 H136 Cd8 Cl8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.1011","0.0613","","","0.1785","0.2087","","","","","","1.042","","","","has coordinates","245097","2020-10-21","18:00:00",""
"4003448","9.3596","0.0005","9.3596","0.0005","10.7347","0.0005","90","","90","","120","","814.4","0.07","123","2","123","2","","","","","","","","5","P 63","P 6c","173","","","","- C10 H18 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.333333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2106","0.2043","","","0.3446","0.3481","","","","","","1.067","","","","has coordinates","245098","2020-10-21","18:00:00",""
"4003449","9.7129","0.0005","3.7122","0.0002","10.9575","0.0005","90","","102.007","0.001","90","","386.44","0.03","293","2","293","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","1","0.5","","Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi","K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold","Chemistry of Materials","2019","31","24","10100","","10.1021/acs.chemmater.9b03214","","","0.71073","MoKα","","0.0389","0.0388","","","0.1014","0.1018","","","","","","1.109","","","","has coordinates","246543","2020-10-21","18:00:00",""
"4003450","13.0497","0.0008","19.8573","0.0011","8.9019","0.0005","90","","99.657","0.006","90","","2274.1","0.2","100","0.14","100","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 -","- C30 H26 N4 -","- C120 H104 N16 -","4","1","","Jia, Ji-Hui; Liang, Dong; Yu, Rongmin; Chen, Xu-Lin; Meng, Lingyi; Chang, Jian-Fei; Liao, Jian-Zhen; Yang, Mingxue; Li, Xiao-Ning; Lu, Can-Zhong","Coordination-Induced Thermally Activated Delayed Fluorescence: From Non-TADF Donor‒Acceptor-Type Ligand to TADF-Active Ag-Based Complexes","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04585","","x-ray","0.71073","MoKα","","0.0661","0.0502","","","0.1144","0.1267","","","","","","1.041","","","","has coordinates","245555","2020-10-21","18:00:00",""
"4003451","17.3118","0.0007","17.3118","0.0007","21.7019","0.0008","90","","90","","120","","5632.7","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H120 Br12 N6 Pb3 -","- C54 H120 Br12 N6 Pb3 -","- C162 H360 Br36 N18 Pb9 -","3","0.166667","","Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu","Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03893","","","0.71073","MoKα","","0.0231","0.0225","","0.0596","0.0592","0.0596","","","","","","1.0487","","","","has coordinates","246200","2020-10-21","18:00:00",""
"4003452","14.9238","0.0003","14.9238","0.0003","30.6972","0.0007","90","","90","","120","","5920.9","0.2","111","","111","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Br19 N9 Pb3 Zn2 -","- C81 H180 Br19 N9 Pb3 Zn2 -","- C162 H360 Br38 N18 Pb6 Zn4 -","2","0.333333","","Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu","Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03893","","","0.71073","MoKα","","0.0777","0.0657","","0.1872","0.1701","0.1701","","","","","","1.0847","","","","has coordinates","246201","2020-10-21","18:00:00",""
"4033583","38.945","0.002","4.5998","0.0003","26.6918","0.0016","90","","133.009","0.002","90","","3496.5","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N5 O6 -","- C20 H17 N5 O6 -","- C160 H136 N40 O48 -","8","1","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","1.54178","CuKα","","0.0425","0.0358","","","0.1158","0.1251","","","","","","0.989","","","","has coordinates","223217","2020-10-21","18:00:00",""
"4033584","15.0392","0.0017","4.6544","0.0005","23.336","0.002","90","","93.506","0.007","90","","1630.4","0.3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H30 N6 O8 -","- C36 H30 N6 O8 -","- C72 H60 N12 O16 -","2","0.5","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","0.71073","MoKα","","0.1449","0.0589","","","0.1195","0.1527","","","","","","0.954","","","","has coordinates","223217","2020-10-21","18:00:00",""
"4033585","6.6482","0.0002","12.1779","0.0003","12.733","0.0003","62.607","0.001","75.839","0.002","88.593","0.002","882.82","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O8 -","- C20 H17 N O8 -","- C40 H34 N2 O16 -","2","1","","Zatsikha, Yuriy V.; Schrage, Briana R.; Meyer, Julia; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Diylideneisoindolines: Synthesis, Structure, Redox, and Optical Properties.","The Journal of organic chemistry","2019","84","10","6217","6222","10.1021/acs.joc.9b00468","","","0.71073","MoKα","","0.0577","0.0433","","","0.1175","0.1268","","","","","","1.074","","","","has coordinates,has disorder","223217","2020-10-21","18:00:00",""
"4033586","6.8925","0.0001","8.5995","0.0002","33.9536","0.0007","90","","90","","90","","2012.5","0.07","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F3 N3 O7 S -","- C17 H20 F3 N3 O7 S -","- C68 H80 F12 N12 O28 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0203","0.0202","","","0.0526","0.0528","","","","","","1.077","","","","has coordinates","223218","2020-10-21","18:00:00",""
"4033587","10.9239","0.0002","22.6975","0.0004","8.8845","0.0002","90","","106.788","0.002","90","","2108.98","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F6 N3 O -","- C9 H5 F6 N3 O -","- C72 H40 F48 N24 O8 -","8","2","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0443","0.0372","","","0.096","0.1005","","","","","","1.034","","","","has coordinates","223219","2020-10-21","18:00:00",""
"4033588","11.5247","0.0003","8.3841","0.0001","21.245","0.0004","90","","104.969","0.002","90","","1983.12","0.07","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N3 -","- C13 H9 N3 -","- C104 H72 N24 -","8","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0357","0.0322","","","0.09","0.0929","","","","","","1.061","","","","has coordinates","223219","2020-10-21","18:00:00",""
"4033589","14.1669","0.0014","6.075","0.0006","15.6269","0.0017","90","","90","","90","","1344.9","0.2","155","","155","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","0.5","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0656","0.048","","","0.115","0.1302","","","","","","1.043","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033590","11.096","0.003","11.577","0.004","12.028","0.003","62.158","0.01","89.182","0.009","72.717","0.014","1290.3","0.7","296","2","295.82","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl N2 O6 S -","- C28 H25 Cl N2 O6 S -","- C56 H50 Cl2 N4 O12 S2 -","2","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0746","0.0529","","","0.1489","0.1659","","","","","","1.042","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033591","11.796","0.002","7.326","0.0015","31.816","0.006","90","","90","","90","","2749.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C128 H88 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.7","synchrotron","","0.0623","0.0462","","","0.1282","0.136","","","","","","1.048","","","","has coordinates","223235","2020-10-21","18:00:00",""
"4033592","11.035","0.003","12.177","0.003","17.248","0.004","90.577","0.004","98.878","0.004","99.787","0.005","2255","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","2","","Kattamuri, Padmanabha V.; Bhakta, Urmibhusan; Siriwongsup, Surached; Kwon, Doo-Hyun; Alemany, Lawrence B.; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Synthesis of Structurally Diverse 3-, 4-, 5-, and 6-Membered Heterocycles from Diisopropyl Iminomalonates and Soft C-Nucleophiles.","The Journal of organic chemistry","2019","84","11","7066","7099","10.1021/acs.joc.9b00681","","","0.71073","MoKα","","0.2125","0.0873","","","0.205","0.2837","","","","","","1.077","","","","has coordinates","223233","2020-10-21","18:00:00",""
"4033593","10.8576","0.0003","13.0152","0.0004","17.4505","0.0005","104.015","0.002","97.067","0.002","96.925","0.002","2345.28","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","2","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.2121","0.1297","","","0.3583","0.4175","","","","","","1.287","","","","has coordinates","223238","2020-10-21","18:00:00",""
"4033594","7.4944","0.0003","11.0027","0.0004","14.0513","0.0005","91.9","0.003","90.732","0.003","101.377","0.003","1135.04","0.07","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0468","0.041","","","0.1126","0.1177","","","","","","1.065","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033595","14.4932","0.0003","10.3321","0.0002","19.1214","0.0004","90","","108.602","0.002","90","","2713.75","0.1","123","0.2","123","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 -","- C18 H12 N4 -","- C144 H96 N32 -","8","2","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0416","0.0374","","","0.103","0.1076","","","","","","1.051","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033596","13.1456","0.0004","5.1912","0.0002","16.5884","0.0005","90","","90.411","0.002","90","","1131.99","0.07","123","1","123","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0454","0.0353","","","0.0917","0.0995","","","","","","1.057","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033597","13.7408","0.0002","10.8233","0.0002","16.535","0.0002","90","","90","","90","","2459.1","0.07","123.01","0.1","123.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C112 H80 Br8 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0283","0.0261","","","0.0708","0.0726","","","","","","1.083","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033598","7.8775","0.0001","8.9322","0.0001","17.6085","0.0003","90","","99.102","0.001","90","","1223.39","0.03","123","0.11","123","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","","1.54184","CuKα","","0.0346","0.0334","","","0.083","0.084","","","","","","1.04","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033599","9.5514","0.0003","9.5468","0.0002","17.8087","0.0005","90","","105.517","0.003","90","","1564.7","0.08","296.95","0.1","296.95","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N3 -","- C10 H7 N3 -","- C80 H56 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0486","0.0473","","","0.1086","0.1093","","","","","","1.201","","","","has coordinates,has disorder","223234","2020-10-21","18:00:00",""
"4033600","8.3761","0.0004","9.1695","0.0005","12.8814","0.0007","76.433","0.005","81.845","0.004","76.422","0.005","930.91","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C38 H38 Br2 N4 O4 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0538","0.0374","","","0.0864","0.0954","","","","","","1.051","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033601","11.302","0.002","7.7678","0.001","13.039","0.003","90","","108.99","0.02","90","","1082.4","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O3 S -","- C23 H19 Br N2 O3 S -","- C46 H38 Br2 N4 O6 S2 -","2","1","","Zhou, Yuxuan; Li, Zhenmin; Ma, Fanghui; Zhao, Chang; Lu, Ping; Wang, Yanguang","Palladium-Catalyzed Synthesis of 3-Haloindol-2-amines from 3-Diazoindolin-2-imines and Alkyl Halides.","The Journal of organic chemistry","2019","84","11","6655","6668","10.1021/acs.joc.9b00191","","","0.71073","MoKα","","0.0641","0.0479","","","0.1034","0.1199","","","","","","1.096","","","","has coordinates","223236","2020-10-21","18:00:00",""
"4033602","6.0161","0.0013","7.0221","0.0017","7.62","0.002","90","","90","","90","","321.91","0.13","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C8 H16 Cl2 F4 N2 -","2","0.5","","Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.","Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.","The Journal of organic chemistry","2019","84","13","8487","8496","10.1021/acs.joc.9b00719","","","0.71073","MoKα","","0.0255","0.0244","","","0.0598","0.0605","","","","","","1.023","","","","has coordinates","223221","2020-10-21","18:00:00",""
"4033603","9.1839","0.0004","9.046","0.0004","14.9911","0.0007","90","","91.1716","0.0013","90","","1245.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl F2 N -","- C4 H8 Cl F2 N -","- C32 H64 Cl8 F16 N8 -","8","2","","Chernykh, Anton V.; Melnykov, Kostiantyn P.; Tolmacheva, Nataliya A.; Kondratov, Ivan S.; Radchenko, Dmytro S.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kuchkovska, Yuliya O.; Grygorenko, Oleksandr O.","Last of the gem-Difluorocycloalkanes: Synthesis and Characterization of 2,2-Difluorocyclobutyl-Substituted Building Blocks.","The Journal of organic chemistry","2019","84","13","8487","8496","10.1021/acs.joc.9b00719","","","1.54178","CuKα","","0.0239","0.0231","","","0.0591","0.0596","","","","","","1.061","","","","has coordinates","223221","2020-10-21","18:00:00",""
"4033604","14.3388","0.0005","10.8672","0.0004","10.7633","0.0003","90","","93.505","0.003","90","","1674.03","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C60 H60 Br4 F12 N4 O12 -","4","1","","Das, Prasanta; Hasan, Mohammad H.; Mitra, Dipanwita; Bollavarapu, Ratna; Valente, Edward J.; Tandon, Ritesh; Raucher, Drazen; Hamme, 2nd, Ashton T","Design, Synthesis, and Preliminary Studies of Spiro-isoxazoline-peroxides against Human Cytomegalovirus and Glioblastoma ∥.","The Journal of organic chemistry","2019","84","11","6992","7006","10.1021/acs.joc.9b00746","","x-ray","0.71073","MoKα","","0.1202","0.0522","","","0.1433","0.1823","","","","","","1.003","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4033605","14.5222","0.0002","5.651","0.0001","40.0027","0.0005","90","","90.973","0.001","90","","3282.35","0.08","160","0.1","160","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C50.2 H31.8 -","- C50.2 H31.8 -","- C200.8 H127.2 -","4","1","","Ravat, Prince; Blacque, Olivier; Juríček, Michal","Benzo[<i>cd</i>]triangulene: A Spin 1/2 Graphene Fragment.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02163","","x-ray","1.54184","CuKα","","0.0563","0.0503","","","0.1382","0.1439","","","","","","1.045","","","","has coordinates,has disorder","219597","2020-10-21","18:00:00",""
"4033606","12.6312","0.0003","15.7637","0.0004","16.8507","0.0005","90","","107.622","0.003","90","","3197.77","0.16","160","0.1","160","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H30 O -","- C49 H30 O -","- C196 H120 O4 -","4","1","","Ravat, Prince; Blacque, Olivier; Juríček, Michal","Benzo[<i>cd</i>]triangulene: A Spin 1/2 Graphene Fragment.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02163","","x-ray","0.71073","MoKα","","0.059","0.0467","","","0.1279","0.1356","","","","","","1.047","","","","has coordinates","219598","2020-10-21","18:00:00",""
"4033607","11.8479","0.0002","10.0191","0.0001","11.9095","0.0002","90","","116.482","0.002","90","","1265.39","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N3 O4 S -","- C26 H24 Br N3 O4 S -","- C52 H48 Br2 N6 O8 S2 -","2","1","","Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","<i>Cinchona</i> Alkaloid Squaramide-Catalyzed Asymmetric Ugi-Type Reaction of Isocyanoacetates with C,N-Cyclic Azomethine Imines: Access to Chiral Oxazole-Substituted Tetrahydroisoquinolines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01955","","x-ray","1.54184","CuKα","","0.0436","0.042","","","0.1106","0.1116","","","","","","1.054","","","","has coordinates","219599","2020-10-21","18:00:00",""
"4033608","8.269","0.003","9.888","0.004","16.124","0.006","90","","93.384","0.004","90","","1316.1","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oxidopyrylium dimer 8","racemic (1R,2S,6S,7R)-6,9-dimethoxy-4,7-dimethyl-3,11- dioxatricyclo[5.3.1.12,6]-dodeca-4,8-diene-10,12-dione","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Bejcek, Lauren P.; Garimallaprabhakaran, Aswin K.; Suyabatmaz, Duygu M.; Greer, Alexander; Hersh, William H.; Greer, Edyta M.; Murelli, Ryan P.","Maltol- and Allomaltol-Derived Oxidopyrylium Ylides: Methyl Substitution Pattern Kinetically Influences [5 + 3] Dimerization versus [5 + 2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02137","","","0.71073","MoKα","","0.0418","0.0363","","","0.0905","0.0945","","","","","","1.048","","","","has coordinates","219600","2020-10-21","18:00:00",""
"4033609","8.6979","0.0019","13.609","0.003","22.635","0.005","90","","99.274","0.002","90","","2644.3","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Oxidopyrylium dimer 14","racemic (1R,2R,6R,7R)-6,9-dimethoxy-2,7-dimethyl-3,11- dioxatricyclo[5.3.1.12,6]dodeca-4,9-diene-8,12-dione","","- C14 H16 O6 -","- C14 H16 O6 -","- C112 H128 O48 -","8","2","","Bejcek, Lauren P.; Garimallaprabhakaran, Aswin K.; Suyabatmaz, Duygu M.; Greer, Alexander; Hersh, William H.; Greer, Edyta M.; Murelli, Ryan P.","Maltol- and Allomaltol-Derived Oxidopyrylium Ylides: Methyl Substitution Pattern Kinetically Influences [5 + 3] Dimerization versus [5 + 2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02137","","","0.71073","MoKα","","0.1687","0.1319","","","0.2484","0.2631","","","","","","1.289","","","","has coordinates,has disorder","219601","2020-10-21","18:00:00",""
"4033610","9.21","0.004","10.504","0.004","14.325","0.006","77.595","0.003","74.803","0.003","89.528","0.003","1304.4","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Oxidopyrylium dimer 13","racemic (1R,2S,6S,7R)-6,9-dimethoxy-1,2-dimethyl-3,11- dioxatricyclo[5.3.1.12,6]-dodeca-4,8-diene-10,12-dione","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","2","","Bejcek, Lauren P.; Garimallaprabhakaran, Aswin K.; Suyabatmaz, Duygu M.; Greer, Alexander; Hersh, William H.; Greer, Edyta M.; Murelli, Ryan P.","Maltol- and Allomaltol-Derived Oxidopyrylium Ylides: Methyl Substitution Pattern Kinetically Influences [5 + 3] Dimerization versus [5 + 2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02137","","","0.71073","MoKα","","0.0996","0.0906","","","0.2743","0.2946","","","","","","1.28","","","","has coordinates","219602","2020-10-21","18:00:00",""
"4033611","9.1662","0.0002","11.1972","0.0002","13.268","0.0002","109.332","0.002","95.505","0.001","113.013","0.002","1142.22","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Wang, Chun-Ying; Han, Jia-Bin; Wang, Long; Tang, Xiang-Ying","Lewis Acid Catalyzed [4 + 2] Cycloaddition of <i>N</i>-Tosylhydrazones with <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","14258","14269","10.1021/acs.joc.9b02040","","x-ray","1.54184","CuKα","","0.0356","0.0352","","","0.0897","0.09","","","","","","1.044","","","","has coordinates","223222","2020-10-21","18:00:00",""
"4033612","12.88","0.003","16.51","0.003","6.395","0.0013","90","","99.63","0.03","90","","1340.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C60 H68 N12 O4 -","4","1","","Witkowska, Agnieszka; Brzezinska, Jolanta; Pedzinski, Tomasz; Chmielewski, Marcin K.","Fluorescent 2-(Pyridin-2-yl)vinyl Pyridine Dyes and Their Thermocontrolled Release.","The Journal of organic chemistry","2019","84","21","13447","13456","10.1021/acs.joc.9b01620","","","0.89429","synchrotron","","0.0459","0.0413","","","0.1053","0.1317","","","","","","1.166","","","","has coordinates","223223","2020-10-21","18:00:00",""
"4033613","7.582","0.0001","12.2125","0.0001","29.8274","0.0003","90","","90","","90","","2761.87","0.05","223","","223","","","","101.3","","","","","4","P b c a","-P 2ac 2ab","61","4-methoxy-6-nitro-2-phenylchromane","4-methoxy-6-nitro-2-phenylchromane","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0499","0.0472","","","0.1237","0.1265","","","","","","1.111","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033614","9.1504","0.0002","9.164","0.0002","11.3246","0.0002","112.025","0.002","102.585","0.001","98.478","0.002","831.15","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C34 H32 N4 O14 -","2","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0493","0.047","","","0.1238","0.1259","","","","","","1.077","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033615","7.6119","0.0002","8.7039","0.0004","13.041","0.0006","86.965","0.004","79.616","0.003","78.971","0.003","834.01","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O7 -","- C17 H16 N2 O7 -","- C34 H32 N4 O14 -","2","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0599","0.055","","","0.1608","0.1698","","","","","","1.082","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033616","19.835","0.003","5.8838","0.0007","17.3407","0.0019","90","","113.033","0.004","90","","1862.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenyl phenylselanyl benzo imidazo thiazine","4-phenyl-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H16 N2 S Se -","- C22 H16 N2 S Se -","- C88 H64 N8 S4 Se4 -","4","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0577","0.0346","","","0.0842","0.0991","","","","","","1.12","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033617","5.8575","0.0003","21.3888","0.0012","15.7642","0.0008","90","","92.419","0.002","90","","1973.26","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenylselanyl p-tolyl benzo imidazo thiazine","3-(phenylselanyl)-4-(p-tolyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C23 H18 N2 S Se -","- C23 H18 N2 S Se -","- C92 H72 N8 S4 Se4 -","4","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0717","0.0385","","","0.0757","0.0857","","","","","","1.005","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033618","5.999","0.003","7.392","0.003","21.647","0.012","90","","96.023","0.017","90","","954.6","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorophenyl phenylselanyl benzo imidazo thiazine","4-(4-chlorophenyl)-3-(phenylselanyl)-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazine","","- C22 H15 Cl N2 S Se -","- C22 H15 Cl N2 S Se -","- C44 H30 Cl2 N4 S2 Se2 -","2","1","","Goulart, Tales A. C.; Kazmirski, João A G; Back, Davi F.; Zeni, Gilson","Cyclization of Thiopropargyl Benzimidazoles by Combining Iron(III) Chloride and Diorganyl Diselenides.","The Journal of organic chemistry","2019","84","21","14113","14126","10.1021/acs.joc.9b02276","","","0.71073","MoKα","","0.0272","0.0243","","","0.0564","0.0572","","","","","","1.039","","","","has coordinates","223225","2020-10-21","18:00:00",""
"4033619","29.4767","0.0008","7.5456","0.0002","21.702","0.0006","90","","90","","90","","4826.9","0.2","123","","123","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H16 Cl3 I2 In N O2 -","- C23 H16 Cl1.5 I2 In N O2 -","- C184 H128 Cl12 I16 In8 N8 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.115","0.124","","","","","","0.892","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033620","14.25","0.0002","14.314","0.0002","28.2402","0.0004","90","","90","","90","","5760.28","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 I6 In2 O2 -","- C18 H14 I6 In2 O2 -","- C144 H112 I48 In16 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","1.54184","CuKα","","0.0525","0.0496","","","0.1314","0.1343","","","","","","1.067","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033621","10.2861","0.0004","12.2992","0.0004","18.0217","0.0007","85.011","0.003","79.264","0.003","71.536","0.003","2123.76","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","2","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0902","0.0501","","","0.1391","0.1651","","","","","","0.943","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033622","8.4349","0.0005","10.8431","0.0005","20.7594","0.0011","90","","96.089","0.005","90","","1887.95","0.17","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","","0.71073","MoKα","","","0.0537","","","","0.1004","","","","","","0.981","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033623","10.4592","0.0008","8.1844","0.0006","13.6348","0.001","90","","100.54","0.007","90","","1147.48","0.15","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C62 H44 O6 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0556","0.043","","","0.0967","0.1042","","","","","","1.052","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033624","10.0337","0.0005","5.7858","0.0003","19.3039","0.001","90","","100.44","0.005","90","","1102.1","0.1","123","","123","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C31 H20 O2 -","- C31 H20 O2 -","- C62 H40 O4 -","2","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","0.71073","MoKα","","0.0462","0.0375","","","0.0855","0.0894","","","","","","1.056","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033625","11.0293","0.0011","30.286","0.003","11.1297","0.0011","90","","114.053","0.002","90","","3394.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 O2 -","- C36 H36 N6 O2 -","- C144 H144 N24 O8 -","4","1","","Veerakanellore, Giri Babu; Smith, Caris M.; Vasiliu, Monica; Oliver, Allen G.; Dixon, David A.; Carrick, Jesse D.","Synthesis of 1<i>H</i>-Pyrazol-5-yl-pyridin-2-yl-[1,2,4]triazinyl Soft-Lewis Basic Complexants via Metal and Oxidant Free [3 + 2] Dipolar Cycloaddition of Terminal Ethynyl Pyridines with Tosylhydrazides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02088","","","0.71073","MoKα","","0.0606","0.0493","","","0.1239","0.1328","","","","","","1.032","","","","has coordinates","219612","2020-10-21","18:00:00",""
"4033626","9.117","0.01","10.951","0.013","13.219","0.015","82.747","0.016","71.248","0.016","74.802","0.014","1205","2","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Veerakanellore, Giri Babu; Smith, Caris M.; Vasiliu, Monica; Oliver, Allen G.; Dixon, David A.; Carrick, Jesse D.","Synthesis of 1<i>H</i>-Pyrazol-5-yl-pyridin-2-yl-[1,2,4]triazinyl Soft-Lewis Basic Complexants via Metal and Oxidant Free [3 + 2] Dipolar Cycloaddition of Terminal Ethynyl Pyridines with Tosylhydrazides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02088","","","0.71073","MoKα","","0.1649","0.0949","","","0.2212","0.2621","","","","","","1.027","","","","has coordinates","219613","2020-10-21","18:00:00",""
"4033627","9.367","0.0004","9.763","0.0005","10.3133","0.0005","117.878","0.002","91.349","0.002","98.247","0.002","820.63","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 Se -","- C19 H13 Cl N2 Se -","- C38 H26 Cl2 N4 Se2 -","2","1","","Dey, Amrita; Hajra, Alakananda","Iodine-Catalyzed Selenylation of 2<i>H</i>-Indazole.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02199","","","0.71073","MoKα","","0.0401","0.0309","","","0.0968","0.1104","","","","","","0.856","","","","has coordinates","219614","2020-10-21","18:00:00",""
"4033628","9.372","0.0009","10.1969","0.001","11.3176","0.0011","90","","96.536","0.003","90","","1074.54","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C48 H40 N12 O4 -","2","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0493","0.0402","","","0.0965","0.1031","","","","","","1.055","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033629","8.6764","0.0007","11.0515","0.0009","31.064","0.002","90","","94.38","0.003","90","","2969.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N6 O2 -","- C32 H36 N6 O2 -","- C128 H144 N24 O8 -","4","1","","Dhondge, Attrimuni P.; Huang, Yi-Xiang; Lin, Ta; Hsu, Yu-Hung; Tseng, Shin-Lun; Chang, Yu-Chang; Chen, Henry J. H.; Kuo, Ming-Yu","Benzodipyrrole-2,6-dione-3,7-diylidenedimalononitrile Derivatives for Air-Stable <i>n</i>-Type Organic Field-Effect Transistors: Critical Role of <i>N</i>-Alkyl Substituent on Device Performance.","The Journal of organic chemistry","2019","84","21","14061","14068","10.1021/acs.joc.9b02207","","","0.71073","MoKα","","0.0514","0.0368","","","0.0964","0.111","","","","","","1.081","","","","has coordinates","223227","2020-10-21","18:00:00",""
"4033630","4.962","0.0002","13.1568","0.0006","10.7648","0.0005","90","","96.674","0.001","90","","698.01","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 I N5 O4 -","- C10 H12 I N5 O4 -","- C20 H24 I2 N10 O8 -","2","1","","Leonard, Peter; Kondhare, Dasharath; Jentgens, Xenia; Daniliuc, Constantin; Seela, Frank","Nucleobase-Functionalized 5-Aza-7-deazaguanine Ribo- and 2'-Deoxyribonucleosides: Glycosylation, Pd-Assisted Cross-Coupling, and Photophysical Properties.","The Journal of organic chemistry","2019","84","21","13313","13328","10.1021/acs.joc.9b01347","","","1.54178","CuKα","","0.0202","0.0199","","","0.0476","0.0478","","","","","","1.054","","","","has coordinates","223228","2020-10-21","18:00:00",""
"4033631","15.9706","0.0005","25.3689","0.0007","19.9594","0.0006","90","","98.497","0.001","90","","7997.9","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 Cl6 N8 O16 -","- C90 H68 Cl6 N8 O16 -","- C360 H272 Cl24 N32 O64 -","4","1","","Furuyama, Taniyuki; Maeda, Kazuya; Maeda, Hajime; Segi, Masahito","Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines.","The Journal of organic chemistry","2019","84","21","14306","14312","10.1021/acs.joc.9b02126","","","1.54178","CuKα","","0.0808","0.0716","","","0.1947","0.207","","","","","","1.03","","","","has coordinates","223229","2020-10-21","18:00:00",""
"4033632","8.8184","0.0006","12.864","0.0008","14.676","0.001","104.981","0.003","90.846","0.003","101.054","0.004","1574.78","0.18","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C80 H48 N8 O8 -","4","2","","Furuyama, Taniyuki; Maeda, Kazuya; Maeda, Hajime; Segi, Masahito","Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines.","The Journal of organic chemistry","2019","84","21","14306","14312","10.1021/acs.joc.9b02126","","","1.54178","CuKα","","0.0499","0.0438","","","0.1211","0.1255","","","","","","1.101","","","","has coordinates","223229","2020-10-21","18:00:00",""
"4033633","16.1154","0.0005","12.2973","0.0003","21.8677","0.0006","90","","113.366","0.004","90","","3978.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 B2 Cl2 O6 -","- C42 H52 B2 Cl2 O6 -","- C168 H208 B8 Cl8 O24 -","4","0.5","","Kamei, Toshiyuki; Nishino, Soshi; Yagi, Akiko; Segawa, Yasutomo; Shimada, Toyoshi","Ni-Catalyzed α-Selective C-H Borylations of Naphthalene-Based Aromatic Compounds.","The Journal of organic chemistry","2019","84","21","14354","14359","10.1021/acs.joc.9b02333","","","0.71073","MoKα","","0.057","0.0512","","","0.1383","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223230","2020-10-21","18:00:00",""
"4033634","7.7019","0.0005","10.3698","0.0007","25.1234","0.0014","90","","90","","90","","2006.5","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O2 S -","- C24 H28 O2 S -","- C96 H112 O8 S4 -","4","1","","Wu, Wanqing; Chen, Yang; Li, Meng; Hu, Weigao; Lin, Xuemin","Access to Polysubstituted (Furyl)methylthioethers via a Base-Promoted S-H Insertion Reaction of Conjugated Enynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02053","","x-ray","0.71073","MoKα","","0.0527","0.0445","","","0.094","0.0988","","","","","","1.028","","","","has coordinates","219621","2020-10-21","18:00:00",""
"4033635","11.527","0.005","8.015","0.003","17.6","0.007","90","","103.109","0.009","90","","1583.7","1.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Li, Huihui; Wu, Chenglin; Liu, Hong; Wang, Jiang","Ruthenium(II)-Catalyzed C-H Acylmethylation between (Hetero)arenes and α-Cl Ketones/Sulfoxonium Ylides.","The Journal of organic chemistry","2019","84","21","13262","13275","10.1021/acs.joc.9b01013","","","0.71073","MoKα","","0.1625","0.0549","","","0.1066","0.1441","","","","","","0.913","","","","has coordinates","223231","2020-10-21","18:00:00",""
"4033636","8.912","0.002","9.739","0.003","13.835","0.004","90","","107.019","0.01","90","","1148.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0391","0.0381","","","0.1077","0.1088","","","","","","1.046","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033637","31.933","0.004","7.2952","0.001","32.306","0.004","90","","169.263","0.003","90","","1402.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","0.71073","MoKα","","0.0689","0.0635","","","0.1804","0.1863","","","","","","1.063","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033638","8.6675","0.0002","13.7568","0.0003","21.7507","0.0005","90","","90","","90","","2593.49","0.1","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C104 H128 N32 O16 -","8","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0433","0.0368","","","0.0887","0.094","","","","","","1.0456","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033639","15.12","0.04","4.5","0.012","24.5","0.05","90","","106.85","0.07","90","","1595","7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.2463","0.0995","","","0.1988","0.2576","","","","","","0.961","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033640","5.1907","0.0011","15.181","0.003","16.105","0.003","90","","95.153","0.004","90","","1263.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0599","0.0442","","","0.1016","0.1097","","","","","","1.072","","","","has coordinates,has disorder","219626","2020-10-21","18:00:00",""
"4033641","13.0608","0.0006","7.6252","0.0004","23.3828","0.0012","90","","102.587","0.002","90","","2272.8","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C112 H72 N8 O16 S8 -","8","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0445","0.0382","","","0.1033","0.1082","","","","","","0.977","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033642","12.4342","0.0006","7.2489","0.0004","29.2916","0.0014","90","","97.197","0.003","90","","2619.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N3 O4 -","- C34 H25 N3 O4 -","- C136 H100 N12 O16 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.1584","0.0679","","","0.1181","0.1452","","","","","","1.024","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033643","16.1874","0.0009","12.8827","0.0007","22.5755","0.0012","90","","90.0752","0.0019","90","","4707.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N3 Na O2 S2 -","- C28 H16 N3 Na O2 S2 -","- C224 H128 N24 Na8 O16 S16 -","8","2","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0596","0.0451","","","0.1114","0.121","","","","","","1.049","","","","has coordinates,has disorder","289785","2024-02-12","08:29:27",""
"4033644","7.3366","0.0019","14.047","0.004","14.462","0.004","83.268","0.009","76.71","0.009","85.528","0.009","1438.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 B F2 N O3 -","- C17 H12 B F2 N O3 -","- C68 H48 B4 F8 N4 O12 -","4","2","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.1836","0.1067","","","0.2231","0.242","","","","","","1.546","","","","has coordinates","219626","2020-10-21","18:00:00",""
"4033645","12.2258","0.0006","18.041","0.0009","14.4701","0.0008","90","","93.302","0.002","90","","3186.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26.5 N3 O8 S2 Zn -","- C34 H26.5 N3 O8 S2 Zn -","- C136 H106 N12 O32 S8 Zn4 -","4","1","","Zatsikha, Yuriy V.; Shamova, Liliya I.; Blesener, Tanner S.; Kuzmin, Ilya A.; Germanov, Yaroslaw V.; Herbert, David E.; Nemykin, Victor N.","Development of a Class of Easily Scalable, Electron-Deficient, Core-Extended Benzo-Fused Azadipyrromethene Derivatives (""MB-DIPY"").","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02074","","","0.71073","MoKα","","0.0693","0.0589","","","0.1457","0.1524","","","","","","1.097","","","","has coordinates,has disorder","219626","2020-10-21","18:00:00",""
"4033646","14.854","0.004","13.222","0.003","7.507","0.0018","90","","102.901","0.004","90","","1437.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N O S -","- C17 H14 F N O S -","- C68 H56 F4 N4 O4 S4 -","4","1","","Yu, Pei; Wang, Yuwei; Zeng, Zhigang; Chen, Yunfeng","Metal-Free C-N or C-C Bond Cleavages of α-Azido Ketones: An Oxidative-Amidation Strategy for the Synthesis of α-Ketothioamides and Amides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01777","","","0.71073","MoKα","","0.0637","0.046","","","0.1278","0.1422","","","","","","1.063","","","","has coordinates","220327","2020-10-21","18:00:00",""
"4033647","5.4276","0.0002","15.5769","0.0008","15.8835","0.0008","90","","90","","90","","1342.87","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 S2 -","- C12 H14 O5 S2 -","- C48 H56 O20 S8 -","4","1","","Mear, Sarah Jane; Jamison, Timothy F.","Diazotization of S-Sulfonyl-cysteines","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02630","","","0.71073","MoKα","","0.0228","0.0215","","","0.0541","0.0545","","","","","","1.07","","","","has coordinates","220328","2020-10-21","18:00:00",""
"4033648","6.7185","0.00004","7.05778","0.00004","27.0126","0.0002","90","","90","","90","","1280.88","0.014","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O6 Se -","- C10 H16 N2 O6 Se -","- C40 H64 N8 O24 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0465","0.0466","","","","","","1.066","","","","has coordinates","220505","2020-10-21","18:00:00",""
"4033649","7.515","0.0001","7.7136","0.0001","24.1346","0.0003","90","","90","","90","","1399.03","0.03","292.82","0.1","292.82","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N5 O3 Se -","- C11 H14 Cl N5 O3 Se -","- C44 H56 Cl4 N20 O12 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0241","0.0232","","","0.0598","0.0603","","","","","","1.072","","","","has coordinates","220506","2020-10-21","18:00:00",""
"4033650","7.5314","0.0002","7.9755","0.0002","22.8076","0.0005","90","","90","","90","","1369.98","0.06","293.44","0.16","293.44","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N4 O3 Se -","- C11 H13 Cl N4 O3 Se -","- C44 H52 Cl4 N16 O12 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0465","0.0459","","","0.1276","0.128","","","","","","1.159","","","","has coordinates","220507","2020-10-21","18:00:00",""
"4033651","6.7275","0.0005","13.0314","0.0013","32.146","0.003","90","","90","","90","","2818.2","0.4","100","2","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O11 -","- C27 H30 O11 -","- C108 H120 O44 -","4","1","","Hawsawi, Mohammed; Wickramasinghe, Anura; Crich, David","Use of Phenols as Nucleophiles in the Zbiral Oxidative Deamination of <i>N</i>-Acetyl Neuraminic Acid: Isolation and Characterization of Tricyclic 3-Keto-2-deoxy-nonulosonic Acid (KDN) Derivatives via an Intermediate Vinyl Diazonium Ion.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02279","","","0.71073","MoKα","","0.0541","0.0366","","","0.0758","0.0809","","","","","","1.04","","","","has coordinates","220508","2020-10-21","18:00:00",""
"4033652","13.391","0.0004","20.0066","0.0006","20.2292","0.0006","119.204","0.002","97.369","0.002","102.306","0.002","4447.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H84 Cl8 F8 -","- C74 H44 Cl4 F8 -","- C148 H88 Cl8 F16 -","2","1","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.0691","0.0499","","","0.124","0.1313","","","","","","1.045","","","","has coordinates","220509","2020-10-21","18:00:00",""
"4033653","25.1372","0.001","20.9252","0.0009","19.7816","0.0008","90","","108.436","0.002","90","","9871.1","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C150 H88 F8 O4 -","- C120 H32 F8 -","- C480 H128 F32 -","4","0.5","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1173","0.0994","","","0.2924","0.3079","","","","","","1.051","","","","has coordinates","220510","2020-10-21","18:00:00",""
"4033654","13.4645","0.0007","19.5258","0.0012","26.8045","0.0016","90","","94.711","0.004","90","","7023.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 F8 O6 -","- C84 H80 F8 O6 -","- C336 H320 F32 O24 -","4","1","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1071","0.0769","","","0.2115","0.2453","","","","","","1.021","","","","has coordinates","220511","2020-10-21","18:00:00",""
"4033655","19.8149","0.0006","19.8149","0.0006","13.6041","0.0006","90","","90","","120","","4625.8","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C77 H41 Cl15 F12 -","- C77 H41 Cl15 F12 -","- C154 H82 Cl30 F24 -","2","0.333333","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.1466","0.0829","","","0.2261","0.2475","","","","","","1.033","","","","has coordinates","220512","2020-10-21","18:00:00",""
"4033656","30.539","0.002","8.1703","0.0007","21.1171","0.0016","90","","90.018","0.005","90","","5269","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H48 F4 -","- C60 H35.9992 F4.0008 -","- C240 H143.997 F16.0032 -","4","1","","Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh","Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02340","","","1.54178","CuKα","","0.2033","0.1338","","","0.3765","0.4214","","","","","","1.194","","","","has coordinates,has disorder","220513","2020-10-21","18:00:00",""
"4033657","7.164","0.0001","10.8451","0.0001","10.627","0.0001","90","","103.805","0.0014","90","","801.806","0.016","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","George, Josemon; Sherburn, Michael S.","Diene-Transmissive Enantioselective Diels-Alder Reactions and Sequences Involving Substituted Dendralenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02296","","","1.54184","CuKα","","0.0245","0.0242","","0.0629","0.0625","0.0629","","","","","","1.0046","","","","has coordinates","220558","2020-10-21","18:00:00",""
"4033658","5.2476","0.0009","18.201","0.002","14.8426","0.0018","90","0.2","90.1","0.2","90","0.2","1417.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 F3 N2 O3 -","- C11 H15 F3 N2 O3 -","- C44 H60 F12 N8 O12 -","4","2","","Chalyk, Bohdan A.; Hrebeniuk, Kateryna V.; Fil, Yulia V.; Gavrilenko, Konstantin S.; Rozhenko, Alexander B.; Vashchenko, Bohdan V.; Borysov, Oleksandr V.; Biitseva, Angelina V.; Lebed, Pavlo S.; Bakanovych, Iulia; Moroz, Yurii S.; Grygorenko, Oleksandr O.","Synthesis of 5-(Fluoroalkyl)isoxazole Building Blocks by Regioselective Reactions of Functionalized Halogenoximes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02264","","","0.71073","MoKα","","0.1073","0.0782","","","0.2024","0.226","","","","","","0.989","","","","has coordinates","220559","2020-10-21","18:00:00",""
"4033659","11.662","0.012","5.317","0.004","26","0.03","90","","100.8","0.03","90","","1584","3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl O4 S -","- C15 H17 Cl O4 S -","- C60 H68 Cl4 O16 S4 -","4","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.08","0.0421","","","0.1062","0.1318","","","","","","0.977","","","","has coordinates","220560","2020-10-21","18:00:00",""
"4033660","7.4216","0.0003","21.0246","0.0009","18.741","0.0007","90","","90","","90","","2924.3","0.2","150","2","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl N O4 -","- C14 H16 Cl N O4 -","- C112 H128 Cl8 N8 O32 -","8","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.0455","0.0345","","","0.0868","0.094","","","","","","1.013","","","","has coordinates","220561","2020-10-21","18:00:00",""
"4033661","11.9821","0.0008","14.3947","0.0012","6.1287","0.0004","90","","100.021","0.004","90","","1040.94","0.13","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 O2 S -","- C11 H13 O2 S -","- C44 H52 O8 S4 -","4","1","","Crumbie, Robyn L.; Chalmers, Gareth; Bhadbhade, Mohan; Griffith, Renate","Exploration of the Differences Between Amine and Thiolate Addition to Acetylenedicarboxylates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01392","","","0.71073","MoKα","","0.0709","0.0437","","","0.1048","0.1143","","","","","","1.046","","","","has coordinates","220562","2020-10-21","18:00:00",""
"4033662","7.5212","0.0018","11.808","0.003","13.25","0.003","65.269","0.011","76.006","0.013","75.414","0.012","1021.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C48 H36 Br2 N2 O6 -","2","1","","Bhaumik, Atanu; Azaz, Tazeen; Singh, Vikram; Khatana, Anil Kumar; Tiwari, Bhoopendra","Carbene/Base-Mediated Redox Alkenylation of Isatins Using β-Substituted Organo-selenones and Aldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02188","","","0.71073","MoKα","","0.1214","0.0879","","","0.2631","0.2878","","","","","","1.109","","","","has coordinates","220605","2020-10-21","18:00:00",""
"4033663","23.7223","0.0016","11.0633","0.0008","10.7204","0.0009","90","","90","","90","","2813.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H30 F3 N3 O5 S2 -","- C26 H30 F3 N3 O5 S2 -","- C104 H120 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.1009","0.0767","","","0.1881","0.2183","","","","","","1.051","","","","has coordinates","220606","2020-10-21","18:00:00",""
"4033664","11.1269","0.0005","26.0079","0.001","11.7877","0.0007","90","","111.234","0.006","90","","3179.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 F3 N3 O5 S2 -","- C32 H32 F3 N3 O5 S2 -","- C128 H128 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.0847","0.0556","","","0.1367","0.1566","","","","","","1.025","","","","has coordinates","220607","2020-10-21","18:00:00",""
"4033665","10.8034","0.0004","27.8325","0.0012","11.2453","0.0006","90","","107.321","0.005","90","","3228","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F3 N3 O5 S2 -","- C33 H34 F3 N3 O5 S2 -","- C132 H136 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.1134","0.0687","","","0.1546","0.1786","","","","","","1.016","","","","has coordinates","220608","2020-10-21","18:00:00",""
"4033666","23.9466","0.0008","23.9466","0.0008","6.5821","0.0004","90","","90","","120","","3268.8","0.3","173","2","173","2","","","","","","","","3","P 61","P 61","169","","","","- C25.75 H30 O -","- C24 H26 O -","- C144 H156 O6 -","6","1","","Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher","Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02393","","","1.54184","CuKα","","0.1363","0.0867","","","0.2306","0.3024","","","","","","0.966","","","","has coordinates,has disorder","220609","2020-10-21","18:00:00",""
"4033667","9.0638","0.0003","5.6389","0.0002","28.344","0.0008","90","","91.615","0.001","90","","1448.08","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F N O -","- C18 H18 F N O -","- C72 H72 F4 N4 O4 -","4","1","","Xu, Ji-Tao; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","Visible Light Photoredox-Catalyzed α-Alkylation of Cyclic Tertiary Arylamines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02347","","","1.54178","CuKα","","0.0489","0.0441","","","0.1217","0.1263","","","","","","1.046","","","","has coordinates","220610","2020-10-21","18:00:00",""
"4033668","10.242","0.006","17.151","0.01","8.623","0.005","90","","104.422","0.008","90","","1467","1.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N -","- C18 H12 F3 N -","- C72 H48 F12 N4 -","4","1","","Wang, Zeng; You, Chenhui; Wang, Changfang; Weng, Zhiqiang","Perfluorocarboxylic Anhydrides Triggered Cyclization: A Simple Access to 4-Perfluoroalkylpyridines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02254","","","0.71073","MoKα","","0.0776","0.0629","","","0.1713","0.1818","","","","","","1.132","","","","has coordinates","220611","2020-10-21","18:00:00",""
"4033669","19.682","0.006","5.2523","0.0017","25.856","0.008","90","","112.28","0.005","90","","2473.3","1.3","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O5 -","- C32 H30 O5 -","- C128 H120 O20 -","4","1","","Arredondo, Vanessa; Roa, Daniel E.; Gutman, Eugene S.; Huynh, Nancy O.; Van Vranken, David L.","Total Synthesis of (±)-Brazilin using a [4+1] Palladium-Catalyzed Carbenylative Annulation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02343","","","0.71073","MoKα","","0.0778","0.0437","","","0.0846","0.0967","","","","","","1.012","","","","has coordinates,has disorder","220612","2020-10-21","18:00:00",""
"4033670","5.7431","0.0002","8.4432","0.0002","16.6662","0.0004","90","","90","","90","","808.15","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Becerril-Jiménez, Fabiola; Lussier, Tommy; Leblanc, Louis; Eymard, Carla; Dostie, Starr; Prévost, Michel; Guindon, Yvan","Photoredox-Catalyzed Stereoselective Radical Reactions to Synthesize Nucleoside Analogues with a C2'-Stereogenic All-Carbon Quaternary Center.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02374","","","1.54178","CuKα","","0.0317","0.0312","","","0.0829","0.0834","","","","","","1.052","","","","has coordinates","222148","2020-10-21","18:00:00",""
"4033671","9.1408","0.0012","14.6605","0.0019","21.357","0.003","90","","90.094","0.002","90","","2862","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O8 -","- C30 H31 N3 O8 -","- C120 H124 N12 O32 -","4","1","","Cerveri, Alessandro; Faza, Olalla Nieto; López, Carlos Silva; Grilli, Stefano; Monari, Magda; Bandini, Marco","Phosphine-Catalyzed Stereoselective Dearomatization of 3-NO<sub>2</sub>-Indoles with Allenoates.","The Journal of organic chemistry","2019","84","10","6347","6355","10.1021/acs.joc.9b00559","","","0.71073","MoKα","","0.0949","0.0684","","","0.1704","0.1851","","","","","","0.965","","","","has coordinates,has disorder","222247","2020-10-21","18:00:00",""
"4033672","9.1093","0.0011","16.8358","0.0016","9.1043","0.0009","90","","96.442","0.01","90","","1387.4","0.3","293","0.1","293","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Bellotti, Peter; Brocus, Julien; El Orf, Fatima; Selkti, Mohamed; König, Burkhard; Belmont, Philippe; Brachet, Etienne","Visible Light-Induced Regioselective Cycloaddition of Benzoyl Azides and Alkenes To Yield Oxazolines.","The Journal of organic chemistry","2019","84","10","6278","6285","10.1021/acs.joc.9b00568","","x-ray","0.71073","MoKα","","0.0936","0.0616","","","0.1341","0.1505","","","","","","1.08","","","","has coordinates","222248","2020-10-21","18:00:00",""
"4033673","10.2751","0.0019","11.8804","0.0018","15.351","0.003","71.794","0.005","70.703","0.006","84.139","0.005","1680.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 N3 O3 S Se -","- C17 H15 N3 O3 S Se -","- C68 H60 N12 O12 S4 Se4 -","4","2","","Shieh, Yi-Chen; Du, Kai; Basha, R. Sidick; Xue, Yung-Jing; Shih, Bo-Hao; Li, Liang; Lee, Chin-Fa","Syntheses of Thioethers and Selenide Ethers from Anilines.","The Journal of organic chemistry","2019","84","10","6223","6231","10.1021/acs.joc.9b00322","","x-ray","0.71073","MoKα","","0.1151","0.0959","","","0.2745","0.2868","","","","","","1.055","","","","has coordinates","222249","2020-10-21","18:00:00",""
"4033674","7.9889","0.0002","13.9286","0.0003","15.6096","0.0004","90","","90","","90","","1736.95","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 S -","- C15 H21 N3 O6 S -","- C60 H84 N12 O24 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0212","0.0211","","","0.055","0.0551","","","","","","1.047","","","","has coordinates","222250","2020-10-21","18:00:00",""
"4033675","34.9784","0.0003","5.04961","0.00005","9.52947","0.00011","90","","90","","90","","1683.16","0.03","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C84 H56 N16 O8 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0248","0.024","","","0.059","0.0595","","","","","","1.067","","","","has coordinates","222251","2020-10-21","18:00:00",""
"4033676","4.3901","0.0001","13.329","0.0003","12.9278","0.0003","90","","99.754","0.002","90","","745.54","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 I N3 -","- C7 H4 I N3 -","- C28 H16 I4 N12 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0321","0.0307","","","0.0793","0.0805","","","","","","1.052","","","","has coordinates","222252","2020-10-21","18:00:00",""
"4033677","4.7661","0.0001","15.9025","0.0004","10.47","0.0003","90","","96.973","0.002","90","","787.68","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F3 N3 -","- C8 H4 F3 N3 -","- C32 H16 F12 N12 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0364","0.0325","","","0.0922","0.0949","","","","","","1.05","","","","has coordinates,has disorder","222253","2020-10-21","18:00:00",""
"4033678","3.9963","0.0002","11.3522","0.0006","22.1872","0.0012","90","","93.619","0.004","90","","1004.55","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","1","","Bodzioch, Agnieszka; Pomikło, Dominika; Celeda, Małgorzata; Pietrzak, Anna; Kaszyński, Piotr","3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent.","The Journal of organic chemistry","2019","84","10","6377","6394","10.1021/acs.joc.9b00716","","","1.54184","CuKα","","0.0508","0.0411","","","0.113","0.1188","","","","","","1.044","","","","has coordinates","222254","2020-10-21","18:00:00",""
"4033679","6.111","0.0003","16.2539","0.0009","26.4398","0.0013","90","","94.775","0.002","90","","2617.1","0.2","296","2","295.7","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl3 F N2 O4 S -","- C26 H20 Cl3 F N2 O4 S -","- C104 H80 Cl12 F4 N8 O16 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0843","0.0688","","","0.2022","0.2163","","","","","","1.069","","","","has coordinates","222255","2020-10-21","18:00:00",""
"4033680","11.1661","0.0008","8.1386","0.0006","23.507","0.0015","90","","90.591","0.006","90","","2136.1","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N3 O2 -","- C26 H18 Cl N3 O2 -","- C104 H72 Cl4 N12 O8 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0784","0.0492","","","0.1153","0.1354","","","","","","1.029","","","","has coordinates","222256","2020-10-21","18:00:00",""
"4033681","15.3464","0.0015","10.3631","0.0011","14.3374","0.0015","90","","99.042","0.01","90","","2251.8","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O5 S -","- C26 H22 N2 O5 S -","- C104 H88 N8 O20 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0721","0.0498","","","0.1214","0.1387","","","","","","1.034","","","","has coordinates","222257","2020-10-21","18:00:00",""
"4033682","6.911","0.0004","14.8847","0.0009","21.0989","0.0012","90","","90.882","0.005","90","","2170.1","0.2","149.6","","149.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 S -","- C26 H22 N2 O4 S -","- C104 H88 N8 O16 S4 -","4","1","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0619","0.0443","","","0.1005","0.1132","","","","","","1.05","","","","has coordinates","222258","2020-10-21","18:00:00",""
"4033683","8.7165","0.0015","14.056","0.003","14.557","0.003","72.555","0.007","74.384","0.005","75.547","0.004","1610.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,8-Diallyl-deuteroporphyrin IX dimethyl ester","","- C38 H42 N4 O4 -","- C38 H42 N4 O4 -","- C76 H84 N8 O8 -","2","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.1305","0.0838","","","0.2295","0.2582","","","","","","1.046","","","","has coordinates,has disorder","222259","2020-10-21","18:00:00",""
"4033684","25.8161","0.001","8.5863","0.0003","32.5051","0.0012","90","","90","","90","","7205.2","0.5","100","","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,8-Diphenyl-deuteroporphyrin IX dimethyl ester","","- C44 H41.99 N4 O4 Pd0.01 -","- C44 H41.99 N4 O4 Pd0.01 -","- C352 H335.92 N32 O32 Pd0.08 -","8","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.0873","0.0555","","","0.1211","0.1362","","","","","","1.046","","","","has coordinates,has disorder","222260","2020-10-21","18:00:00",""
"4033685","12.1006","0.0015","11.2249","0.0014","20.34","0.003","90","","99.526","0.004","90","","2724.6","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 B N7 O3 P W -","- C23 H35 B N7 O3 P W -","- C92 H140 B4 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0168","0.0138","","","0.0317","0.0328","","","","","","1.06","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033686","10.5223","0.0008","22.0818","0.0017","12.526","0.0009","90","","94.715","0.001","90","","2900.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 B N7 O3 P W -","- C24 H39 B N7 O3 P W -","- C96 H156 B4 N28 O12 P4 W4 -","4","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0425","0.0274","","","0.0458","0.0493","","","","","","1.009","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033687","8.9012","0.0006","11.0642","0.0007","15.1042","0.001","103.849","0.001","104.746","0.001","99.213","0.002","1357.47","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H35 B N7 O3 P W -","- C23 H35 B N7 O3 P W -","- C46 H70 B2 N14 O6 P2 W2 -","2","1","","Wilson, Katy B.; Smith, Jacob A.; Nedzbala, Hannah S.; Pert, Emmit K.; Dakermanji, Steven J.; Dickie, Diane A.; Harman, W. Dean","Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten.","The Journal of organic chemistry","2019","84","10","6094","6116","10.1021/acs.joc.9b00279","","","0.71073","MoKα","","0.0151","0.0131","","","0.0298","0.0303","","","","","","1.05","","","","has coordinates","222261","2020-10-21","18:00:00",""
"4033688","9.1339","0.0009","10.4866","0.0011","11.61","0.0012","76.105","0.009","72.394","0.009","82.857","0.008","1027.33","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 F3 O5 -","- C23 H21 F3 O5 -","- C46 H42 F6 O10 -","2","1","","Shen, Yao-Bin; Li, Shuai-Shuai; Sun, Yun-Ming; Yu, Liping; Hao, Zhi-Hui; Liu, Qing; Xiao, Jian","Organocatalytic C(sp<sup>3</sup>)-H Functionalization of 5-Methyl-2,3-dihydrofuran Derivatives with Trifluoropyruvates via a Sequential exo-Tautomerization/Carbonyl-Ene Process.","The Journal of organic chemistry","2019","84","5","2779","2785","10.1021/acs.joc.8b03170","","","1.54184","CuKα","","0.0796","0.0476","","","0.0951","0.1128","","","","","","0.981","","","","has coordinates","222262","2020-10-21","18:00:00",""
"4033689","18.0117","0.0009","5.5154","0.0003","18.9813","0.0008","90","","117.213","0.002","90","","1676.92","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylthio phenylthyoazolo indole","3-(butylthio)-2-phenylthyoazolo[3,2-a]indole","","- C20 H19 N S2 -","- C20 H19 N S2 -","- C80 H76 N4 S8 -","4","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson","Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.","The Journal of organic chemistry","2019","84","5","2891","2900","10.1021/acs.joc.9b00052","","","0.56086","AgKα","","0.0695","0.0499","","","0.1233","0.139","","","","","","1.097","","","","has coordinates","222263","2020-10-21","18:00:00",""
"4033690","10.3911","0.0005","11.0643","0.0009","14.6903","0.0012","79.994","0.006","81.269","0.006","78.371","0.005","1617.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","bis phenyl selenazole indole diselene","1,2-bis(2-phenyl-[1,3]selenazole[3,2-a]indole-3-il)diselene","","- C33 H24 Cl2 N2 O Se4 -","- C33 H24 Cl2 N2 O Se4 -","- C66 H48 Cl4 N4 O2 Se8 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi Fernando; Zeni, Gilson","Synthesis of 3-(Organochalcogen) Chalcogenazolo Indoles via Cascade Cyclization of N-Alkynylindoles.","The Journal of organic chemistry","2019","84","5","2891","2900","10.1021/acs.joc.9b00052","","","1.54178","CuKα","","0.045","0.0437","","","0.128","0.1291","","","","","","1.108","","","","has coordinates","222264","2020-10-21","18:00:00",""
"4033691","13.6561","0.0014","7.5404","0.001","20.07","0.002","90","","106.046","0.005","90","","1986.1","0.4","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C104 H76 N4 O16 -","4","1","","Wang, Lei G.; Munhenzva, Ian; Sibrian-Vazquez, Martha; Escobedo, Jorge O.; Kitts, Catherine H.; Fronczek, Frank R.; Strongin, Robert M.","Altering Fundamental Trends in the Emission of Xanthene Dyes.","The Journal of organic chemistry","2019","84","5","2585","2595","10.1021/acs.joc.8b03030","","","1.54178","CuKα","","0.057","0.039","","","0.093","0.102","","","","","","1.018","","","","has coordinates","222265","2020-10-21","18:00:00",""
"4033692","8.58","0.002","6.697","0.002","14.995","0.003","90","","94.59","0.03","90","","858.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.0542","0.0425","","","0.0937","0.0993","","","","","","1.052","","","","has coordinates","222266","2020-10-21","18:00:00",""
"4033693","8.616","0.006","9.784","0.007","10.822","0.007","84.06","0.02","86.84","0.02","86.69","0.02","904.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N6 O6 S6 -","- C21 H19 N O3 S -","- C42 H38 N2 O6 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.3391","0.2206","","","0.4689","0.5284","","","","","","1.19","","","","has coordinates","222267","2020-10-21","18:00:00",""
"4033694","6.459","0.002","14.027","0.003","20.557","0.004","90","","93.01","0.03","90","","1859.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Chand, Santanu; Basak, Amit","How To Achieve High Regioselectivity in Barrier-less Nucleophilic Addition to p-Benzynes Generated via Bergman Cyclization of Unsymmetrical Cyclic Azaenediyne?","The Journal of organic chemistry","2019","84","5","2911","2921","10.1021/acs.joc.9b00060","","","0.71073","MoKα","","0.1136","0.0608","","","0.1397","0.1683","","","","","","0.982","","","","has coordinates","222268","2020-10-21","18:00:00",""
"4033695","8.5519","0.0016","13.646","0.003","15.984","0.003","90","","100.924","0.003","90","","1831.5","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Zhu, Wenju; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Intramolecular Arylation of Tertiary Enamides through Pd(OAc)<sub>2</sub>-Catalyzed Dehydrogenative Cross-Coupling Reaction: Construction of Fused N-Heterocyclic Scaffolds and Synthesis of Isoindolobenzazepine Alkaloids.","The Journal of organic chemistry","2019","84","5","2870","2878","10.1021/acs.joc.9b00010","","","0.71073","MoKα","","0.0521","0.0502","","","0.119","0.1203","","","","","","1.162","","","","has coordinates","222269","2020-10-21","18:00:00",""
"4033696","15.012","0.005","7.022","0.002","15.989","0.005","90","","108.633","0.003","90","","1597.1","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Zhu, Wenju; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Intramolecular Arylation of Tertiary Enamides through Pd(OAc)<sub>2</sub>-Catalyzed Dehydrogenative Cross-Coupling Reaction: Construction of Fused N-Heterocyclic Scaffolds and Synthesis of Isoindolobenzazepine Alkaloids.","The Journal of organic chemistry","2019","84","5","2870","2878","10.1021/acs.joc.9b00010","","","0.71073","MoKα","","0.0587","0.0546","","","0.12","0.1225","","","","","","1.191","","","","has coordinates","222270","2020-10-21","18:00:00",""
"4033697","8.6589","0.0004","10.155","0.0006","9.1765","0.0005","90","","95.413","0.002","90","","803.3","0.07","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C28 H28 Cl4 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.037","0.032","","","0.0863","0.0897","","","","","","1.08","","","","has coordinates,has disorder","222271","2020-10-21","18:00:00",""
"4033698","7.2292","0.0004","8.9578","0.0005","9.787","0.0005","103.405","0.002","109.383","0.002","103.08","0.002","548.9","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C9 H10 Cl2 O4 -","- C9 H10 Cl2 O4 -","- C18 H20 Cl4 O8 -","2","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0311","0.028","","","0.0703","0.0719","","","","","","1.076","","","","has coordinates","222272","2020-10-21","18:00:00",""
"4033699","15.6926","0.0008","8.2181","0.0004","17.5298","0.0009","90","","94.08","0.001","90","","2255","0.2","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl2 O4 -","- C9 H10 Cl2 O4 -","- C72 H80 Cl16 O32 -","8","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0401","0.0394","","","0.1063","0.1069","","","","","","1.054","","","","has coordinates","222273","2020-10-21","18:00:00",""
"4033700","8.3441","0.0006","8.7828","0.0006","12.8812","0.001","90","","106.715","0.002","90","","904.11","0.11","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl2 O4 -","- C7 H6 Cl2 O4 -","- C28 H24 Cl8 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0279","0.0236","","","0.0623","0.0644","","","","","","1.041","","","","has coordinates","222275","2020-10-21","18:00:00",""
"4033701","5.8299","0.0005","6.6662","0.0006","7.1505","0.0006","102.337","0.003","112.745","0.003","95.285","0.003","245.61","0.04","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C7 H5 Cl3 O4 -","- C7 H5 Cl3 O4 -","- C7 H5 Cl3 O4 -","1","0.5","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","0.71073","MoKα","","0.0402","0.0372","","","0.092","0.0939","","","","","","1.062","","","","has coordinates","222276","2020-10-21","18:00:00",""
"4033702","6.0545","0.0005","12.2773","0.0011","15.7597","0.0013","90","","91.388","0.004","90","","1171.12","0.17","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl3 O4 -","- C9 H9 Cl3 O4 -","- C36 H36 Cl12 O16 -","4","1","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0605","0.0488","","","0.1238","0.1312","","","","","","1.086","","","","has coordinates","222277","2020-10-21","18:00:00",""
"4033703","12.3753","0.0011","12.0364","0.0011","21.8658","0.0019","90","","100.758","0.003","90","","3199.8","0.5","200","2","200","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Cl4 O4 -","- C7 H4 Cl4 O4 -","- C84 H48 Cl48 O48 -","12","1.5","","Kaleta, Jiří; Rončević, Igor; Císařová, Ivana; Dračínský, Martin; Šolínová, Veronika; Kašička, Václav; Michl, Josef","Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids.","The Journal of organic chemistry","2019","84","5","2448","2461","10.1021/acs.joc.8b02780","","","1.54178","CuKα","","0.0554","0.0514","","","0.1326","0.136","","","","","","1.038","","","","has coordinates","222278","2020-10-21","18:00:00",""
"4033704","6.5932","0.0003","12.0844","0.0003","24.7934","0.0009","90","","97.03","0.003","90","","1960.56","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl0 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.0589","0.0484","","","0.1141","0.1201","","","","","","1.06","","","","has coordinates","222279","2020-10-21","18:00:00",""
"4033705","27.762","0.006","8.2","0.002","11.158","0.003","90","","91.106","0.019","90","","2539.6","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.0937","0.0631","","","0.1427","0.1675","","","","","","1.031","","","","has coordinates","222280","2020-10-21","18:00:00",""
"4033706","39.285","0.015","5.8249","0.0012","17.044","0.004","90","","91.05","0.03","90","","3899.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C168 H176 N16 O24 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On Water: Metal-Free Synthesis of Highly Functionalized Benzothiazolylidene from ortho-Haloanilines.","The Journal of organic chemistry","2019","84","5","2689","2698","10.1021/acs.joc.8b03107","","","0.71073","MoKα","","0.1667","0.1056","","","0.2176","0.2546","","","","","","1.076","","","","has coordinates","222281","2020-10-21","18:00:00",""
"4033707","11.3411","0.0006","18.519","0.0013","9.0419","0.0005","90","","90","","90","","1899","0.2","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0669","0.0487","","","0.0858","0.0938","","","","","","1.064","","","","has coordinates,has disorder","222282","2020-10-21","18:00:00",""
"4033708","9.3286","0.0004","11.5424","0.0005","17.6325","0.0008","90","","90","","90","","1898.57","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C96 H108 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.0733","0.0768","","","","","","1.082","","","","has coordinates,has disorder","222283","2020-10-21","18:00:00",""
"4033709","9.7648","0.0004","9.8776","0.001","26.8081","0.0011","90","","90","","90","","2585.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br Fe N O2 -","- C31 H30 Br Fe N O2 -","- C124 H120 Br4 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.049","0.0395","","","0.0666","0.0702","","","","","","1.029","","","","has coordinates","222284","2020-10-21","18:00:00",""
"4033710","10.53","0.0003","7.9937","0.0003","11.1625","0.0003","90","","91.636","0.003","90","","939.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0329","","","0.0653","0.0669","","","","","","1.0479","","","","has coordinates","222285","2020-10-21","18:00:00",""
"4033711","8.8616","0.0003","11.156","0.0003","9.5963","0.0003","90","","93.548","0.002","90","","946.87","0.05","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C48 H54 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0282","0.0271","","","0.0613","0.0621","","","","","","1.052","","","","has coordinates","222286","2020-10-21","18:00:00",""
"4033712","9.3061","0.0003","13.2809","0.0004","15.7071","0.0005","90","","90","","90","","1941.29","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0673","0.0688","","","","","","1.088","","","","has coordinates","222287","2020-10-21","18:00:00",""
"4033713","7.423","0.0005","7.6677","0.0006","12.3124","0.0008","87.783","0.006","86.443","0.006","86.723","0.006","697.86","0.09","100.1","0.5","100.1","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 Fe O3 -","- C16 H18 Fe O3 -","- C32 H36 Fe2 O6 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0569","0.0476","","","0.1073","0.1142","","","","","","1.085","","","","has coordinates","222288","2020-10-21","18:00:00",""
"4033714","13.1271","0.0006","14.1243","0.0005","9.6969","0.0004","90","","96.527","0.004","90","","1786.26","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Fe N O -","- C23 H23 Fe N O -","- C92 H92 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0612","0.0533","","","0.1354","0.1409","","","","","","1.03","","","","has coordinates","222289","2020-10-21","18:00:00",""
"4033715","10.5422","0.0004","7.9944","0.0002","11.1408","0.0004","90","","91.54","0.003","90","","938.59","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Fe N O -","- C24 H23 Fe N O -","- C48 H46 Fe2 N2 O2 -","2","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0389","0.035","","","0.0699","0.0724","","","","","","1.04","","","","has coordinates","222290","2020-10-21","18:00:00",""
"4033716","9.2338","0.0004","12.0196","0.0006","16.6968","0.0007","90","","90","","90","","1853.12","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0453","0.0384","","","0.0731","0.077","","","","","","1.046","","","","has coordinates","222291","2020-10-21","18:00:00",""
"4033717","9.1397","0.0002","18.9143","0.0005","10.8778","0.0003","90","","90","","90","","1880.46","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0597","0.0613","","","","","","1.035","","","","has coordinates","222292","2020-10-21","18:00:00",""
"4033718","10.9629","0.0007","21.9497","0.0012","11.2186","0.0007","90","","109.088","0.007","90","","2551.1","0.3","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Fe N O -","- C16 H17 Fe N O -","- C128 H136 Fe8 N8 O8 -","8","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0563","0.0498","","","0.129","0.1362","","","","","","1.062","","","","has coordinates","222293","2020-10-21","18:00:00",""
"4033719","8.5891","0.0001","15.2073","0.0002","30.365","0.0005","90","","90","","90","","3966.19","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O2.5 -","- C24 H26 Fe N O2.5 -","- C192 H208 Fe8 N8 O20 -","8","2","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","1.54184","CuKα","","0.0516","0.0429","","","0.0973","0.1019","","","","","","1.018","","","","has coordinates","222294","2020-10-21","18:00:00",""
"4033720","10.0109","0.0004","10.6354","0.0005","24.1206","0.0012","90","","90","","90","","2568.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Br Fe N O3 -","- C31 H28 Br Fe N O3 -","- C124 H112 Br4 Fe4 N4 O12 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.048","0.0363","","","0.0628","0.0665","","","","","","1.024","","","","has coordinates","222295","2020-10-21","18:00:00",""
"4033721","10.078","0.002","12.77","0.003","14.077","0.003","90","0.03","107.55","0.03","90","0.03","1727.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Karmakar, Ujjwal; Samanta, Rajarshi","Pd(II)-Catalyzed Direct Sulfonylation of Benzylamines Using Sodium Sulfinates.","The Journal of organic chemistry","2019","84","5","2850","2861","10.1021/acs.joc.8b03098","","","0.71073","MoKα","","0.0433","0.0341","","","0.091","0.0965","","","","","","1.037","","","","has coordinates","222296","2020-10-21","18:00:00",""
"4033722","6.964","0.0014","9.156","0.0018","31.185","0.006","90","","90","","90","","1988.4","0.7","100","0.2","100","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 N O10 S -","- C15 H31 N O10 S -","- C60 H124 N4 O40 S4 -","4","1","","Abayakoon, Palika; Epa, Ruwan; Petricevic, Marija; Bengt, Christopher; Mui, Janice W.-Y.; van der Peet, Phillip L.; Zhang, Yunyang; Lingford, James P.; White, Jonathan M.; Goddard-Borger, Ethan D; Williams, Spencer J.","Comprehensive Synthesis of Substrates, Intermediates, and Products of the Sulfoglycolytic Embden-Meyerhoff-Parnas Pathway.","The Journal of organic chemistry","2019","84","5","2901","2910","10.1021/acs.joc.9b00055","","","0.710878","Synchrotron","","0.0531","0.0465","","","0.1196","0.1276","","","","","","1.045","","","","has coordinates","222297","2020-10-21","18:00:00",""
"4033723","8.677","0.009","12.884","0.013","12.904","0.013","107.923","0.011","101.469","0.011","96.14","0.012","1323","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 B N3 O -","- C28 H32 B N3 O -","- C56 H64 B2 N6 O2 -","2","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.1199","0.0875","","","0.2026","0.2084","","","","","","3.928","","","","has coordinates","222298","2020-10-21","18:00:00",""
"4033724","8.6479","0.001","10.0827","0.0012","11.46","0.0014","70.946","0.001","77.107","0.001","77.538","0.001","909.54","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 B F N2 O -","- C22 H18 B F N2 O -","- C44 H36 B2 F2 N4 O2 -","2","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.051","0.0401","","","0.1233","0.136","","","","","","1.005","","","","has coordinates","222299","2020-10-21","18:00:00",""
"4033725","17.46","0.04","17.46","0.04","48.78","0.1","90","","90","","120","","12878","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H30 B F N2 -","- C28 H30 B F N2 -","- C504 H540 B18 F18 N36 -","18","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71076","MoKα","","0.0925","0.064","","","0.1689","0.1875","","","","","","1.032","","","","has coordinates","222300","2020-10-21","18:00:00",""
"4033726","9.0174","0.0009","17.3665","0.0017","11.4288","0.0011","90","","104.159","0.001","90","","1735.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B F N2 -","- C19 H20 B F N2 -","- C76 H80 B4 F4 N8 -","4","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71073","MoKα","","0.0656","0.0489","","","0.1443","0.1562","","","","","","1.424","","","","has coordinates","222301","2020-10-21","18:00:00",""
"4033727","8.9804","0.0004","9.2764","0.0004","10.1223","0.0004","75.653","0.002","85.6189","0.0019","69.2243","0.0018","763.76","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Sihag, Pinki; Jeganmohan, Masilamani","Regioselective Synthesis of Isocoumarins via Iridium(III)-Catalyzed Oxidative Cyclization of Aromatic Acids with Propargyl Alcohols.","The Journal of organic chemistry","2019","84","5","2699","2712","10.1021/acs.joc.8b03077","","","0.71073","MoKα","","0.0441","0.0367","","","0.0985","0.1061","","","","","","1.034","","","","has coordinates","222302","2020-10-21","18:00:00",""
"4033728","8.6696","0.0005","16.0188","0.0011","11.0129","0.0007","90","","106.132","0.003","90","","1469.21","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Sihag, Pinki; Jeganmohan, Masilamani","Regioselective Synthesis of Isocoumarins via Iridium(III)-Catalyzed Oxidative Cyclization of Aromatic Acids with Propargyl Alcohols.","The Journal of organic chemistry","2019","84","5","2699","2712","10.1021/acs.joc.8b03077","","","0.71073","MoKα","","0.0453","0.035","","","0.0854","0.0937","","","","","","1.045","","","","has coordinates","222303","2020-10-21","18:00:00",""
"4033729","9.5866","0.0005","24.3205","0.0011","9.5513","0.0004","90","","90","","90","","2226.89","0.18","205","","205","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","","Yang, Min; Li, Xiao-Lu; Wang, Jian-Rong; Lei, Xinxiang; Tang, Wei; Li, Xu-Wen; Sun, Han; Guo, Yue-Wei","Sarcomililate A, an Unusual Diterpenoid with Tricyclo[11.3.0.0<sup>2,16</sup>]hexadecane Carbon Skeleton, and Its Potential Biogenetic Precursors from the Hainan Soft Coral Sarcophyton mililatensis.","The Journal of organic chemistry","2019","84","5","2568","2576","10.1021/acs.joc.8b03020","","","1.54178","CuKα","","0.0428","0.0394","","","0.1099","0.1126","","","","","","1.063","","","","has coordinates","222304","2020-10-21","18:00:00",""
"4033730","22.736","0.004","8.2462","0.0011","8.0625","0.0011","90","","90","","90","","1511.6","0.4","93","2","93","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C64 H84 N20 -","4","0.25","","Watanabe, Hiroyuki; Tanaka, Kazuo; Chujo, Yoshiki","Independently Tuned Frontier Orbital Energy Levels of 1,3,4,6,9b-Pentaazaphenalene Derivatives by the Conjugation Effect.","The Journal of organic chemistry","2019","84","5","2768","2778","10.1021/acs.joc.8b03161","","","0.71075","MoKα","","0.1055","0.0702","","","0.1713","0.1899","","","","","","1.052","","","","has coordinates","222305","2020-10-21","18:00:00",""
"4033731","7.4745","0.0003","9.6998","0.0004","20.0096","0.001","80.839","0.004","85.378","0.004","67.764","0.004","1325.38","0.11","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 Cl N O6 Si -","- C26 H32 Cl N O6 Si -","- C52 H64 Cl2 N2 O12 Si2 -","2","2","","Chowdhury, Raghunath; Dubey, Akhil K.; Ghosh, Sunil K.","Ag(I)-Fesulphos-Catalyzed Enantioselective Synthesis of 3-Silylproline Derivatives.","The Journal of organic chemistry","2019","84","5","2404","2414","10.1021/acs.joc.8b02412","","x-ray","0.71073","MoKα","","0.1364","0.0947","","","0.2179","0.2732","","","","","","1.098","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033732","10.0953","0.0011","9.8179","0.001","17.3039","0.0018","90","","103.462","0.002","90","","1667.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C88 H60 N12 O4 -","4","1","","Zhang, Yetong; Shao, Yinlin; Gong, Julin; Zhu, Jianghe; Cheng, Tianxing; Chen, Jiuxi","Selenium-Catalyzed Oxidative C-H Amination of ( E)-3-(Arylamino)-2-styrylquinazolin-4(3 H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1- b]quinazolin-9(1 H)-ones.","The Journal of organic chemistry","2019","84","5","2798","2807","10.1021/acs.joc.8b03179","","","0.71073","MoKα","","0.0398","0.0363","","","0.1033","0.1056","","","","","","1.064","","","","has coordinates","222307","2020-10-21","18:00:00",""
"4033733","16.99","0.002","7.8789","0.001","31.404","0.005","90","","105.229","0.004","90","","4056.2","1","301","2","301.58","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 I N3 O -","- C23 H18 I N3 O -","- C184 H144 I8 N24 O8 -","8","1","","Zhang, Yetong; Shao, Yinlin; Gong, Julin; Zhu, Jianghe; Cheng, Tianxing; Chen, Jiuxi","Selenium-Catalyzed Oxidative C-H Amination of ( E)-3-(Arylamino)-2-styrylquinazolin-4(3 H)-ones: A Metal-Free Synthesis of 1,2-Diarylpyrazolo[5,1- b]quinazolin-9(1 H)-ones.","The Journal of organic chemistry","2019","84","5","2798","2807","10.1021/acs.joc.8b03179","","","0.71073","MoKα","","0.091","0.0562","","","0.1468","0.1731","","","","","","1.038","","","","has coordinates,has disorder","222308","2020-10-21","18:00:00",""
"4033734","7.326","0.002","9.882","0.003","13.685","0.004","106.563","0.004","92.469","0.004","107.893","0.004","894.4","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Shu, Wen-Ming; He, Jian-Xin; Zhang, Xun-Fang; Wang, Shuai; Wu, An-Xin","TFA-Mediated DMSO-Participant Sequential Oxidation/1,3-Dipolar Cycloaddition Cascade of Pyridinium Ylides for the Assembly of Indolizines.","The Journal of organic chemistry","2019","84","5","2962","2968","10.1021/acs.joc.8b02755","","","0.71073","MoKα","","0.0847","0.0562","","","0.1676","0.1914","","","","","","1.033","","","","has coordinates","222309","2020-10-21","18:00:00",""
"4033735","10.1007","0.0004","11.0329","0.0005","12.8754","0.0005","114.896","0.004","108.439","0.004","94.763","0.003","1195.08","0.11","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 B0.25 Cl0.25 F0.25 N2 O3 -","- C14.5 H8.5 B0.5 Cl F N O1.5 -","- C58 H34 B2 Cl4 F4 N4 O6 -","4","2","","Belmonte-Vázquez, José L; Avellanal-Zaballa, Edurne; Enríquez-Palacios, Ernesto; Cerdán, Luis; Esnal, Ixone; Bañuelos, Jorge; Villegas-Gómez, Clarisa; López Arbeloa, Iñigo; Peña-Cabrera, Eduardo","Synthetic Approach to Readily Accessible Benzofuran-Fused Borondipyrromethenes as Red-Emitting Laser Dyes.","The Journal of organic chemistry","2019","84","5","2523","2541","10.1021/acs.joc.8b02933","","","1.54184","CuKα","","0.1237","0.1175","","","0.3849","0.4047","","","","","","1.92","","","","has coordinates","222310","2020-10-21","18:00:00",""
"4033736","6.918","0.0004","13.6514","0.0008","11.8495","0.0007","90","","105.322","0.003","90","","1079.3","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Ghotekar, Ganesh S.; Shaikh, Aslam C.; Muthukrishnan, M.","Transition-Metal-Free Benzannulation of Tricarbonyl Derivatives with Arynes: Access to 1,3-Dinaphthol Precursors for the Synthesis of Rhodamine Dye Analogues.","The Journal of organic chemistry","2019","84","4","2269","2276","10.1021/acs.joc.8b02560","","","0.71073","MoKα","","0.0927","0.0775","","","0.1877","0.1977","","","","","","1.122","","","","has coordinates","222311","2020-10-21","18:00:00",""
"4033737","8.3641","0.0003","11.0149","0.0004","12.0162","0.0007","111.834","0.003","108.756","0.003","98.247","0.002","928.48","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 N3 O4 -","- C25 H12 N3 O4 -","- C50 H24 N6 O8 -","2","1","","Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Redox Cascades and Making of a C-C Bond: 1,2-Benzodiazinyl Radicals and a Copper Complex of a Benzodiazine.","The Journal of organic chemistry","2019","84","4","1871","1881","10.1021/acs.joc.8b02858","","","0.71073","MoKα","","0.094","0.0607","","","0.1499","0.166","","","","","","1.18","","","","has coordinates","222312","2020-10-21","18:00:00",""
"4033738","13.5237","0.0006","21.5116","0.001","16.3696","0.0007","90","","97.649","0.002","90","","4719.8","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C113 H82 Cu2 N4 O7 P4 -","- C113 H82 Cu2 N4 O7 P4 -","- C226 H164 Cu4 N8 O14 P8 -","2","0.5","","Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Redox Cascades and Making of a C-C Bond: 1,2-Benzodiazinyl Radicals and a Copper Complex of a Benzodiazine.","The Journal of organic chemistry","2019","84","4","1871","1881","10.1021/acs.joc.8b02858","","","0.71073","MoKα","","0.0612","0.0471","","","0.1232","0.1395","","","","","","1.172","","","","has coordinates,has disorder","222313","2020-10-21","18:00:00",""
"4033739","12.5381","0.0011","12.1234","0.0011","21.6325","0.0019","90","","90","","90","","3288.2","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C152 H128 Cl8 N8 O8 -","8","2","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.1494","0.0624","","","0.1065","0.1301","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033740","9.3074","0.0013","9.6932","0.0014","12.3596","0.0018","92.194","0.005","93.218","0.005","96.83","0.005","1104.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C56 H48 N4 O6 -","2","1","","Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua","Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.","The Journal of organic chemistry","2019","84","4","2297","2306","10.1021/acs.joc.8b02889","","","0.71073","MoKα","","0.0624","0.0437","","","0.1029","0.112","","","","","","1.013","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033741","9.1649","0.0013","10.6661","0.0015","19.06","0.003","90","","90","","90","","1863.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N3 O4 -","- C20 H17 F2 N3 O4 -","- C80 H68 F8 N12 O16 -","4","1","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.0695","0.0394","","","0.0799","0.0897","","","","","","0.956","","","","has coordinates","222316","2020-10-21","18:00:00",""
"4033742","13.34","0.003","16.49","0.006","16.496","0.003","64.74","0.012","82","0.03","81.992","0.016","3236.9","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C136 H152 N24 O32 -","8","4","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.1734","0.0731","","","0.2024","0.2284","","","","","","0.99","","","","has coordinates","222317","2020-10-21","18:00:00",""
"4033743","7.6014","0.0003","11.0951","0.0004","21.1486","0.001","90","","90","","90","","1783.64","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0688","0.0647","","0.1598","0.1549","0.1549","","","","","","0.9294","","","","has coordinates","222318","2020-10-21","18:00:00",""
"4033744","7.6061","0.0003","11.0989","0.0003","21.165","0.0007","90","","90","","90","","1786.74","0.1","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0532","0.0497","","","0.1324","0.135","","","","","","1.125","","","","has coordinates,has disorder","222319","2020-10-21","18:00:00",""
"4033745","14.984","0.003","7.7036","0.0014","15.893","0.002","90","","96.609","0.009","90","","1822.3","0.5","150","","150","","","","","","","","synthetic","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 F5 -","- C26 H13 F5 -","- C104 H52 F20 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0883","0.0504","","0.1099","0.0975","0.0975","","","","","","1","","","","has coordinates","222320","2020-10-21","18:00:00",""
"4033746","11.0004","0.0006","21.2412","0.0012","7.9354","0.0004","90","","105.702","0.002","90","","1785","0.17","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F8 -","- C26 H8 F8 -","- C104 H32 F32 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0608","0.0413","","0.1049","0.0962","0.0962","","","","","","1.0018","","","","has coordinates","222321","2020-10-21","18:00:00",""
"4033747","7.6059","0.0002","11.0958","0.0003","21.1436","0.0007","90","","90","","90","","1784.38","0.09","121","2","121","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0551","0.0495","","","0.1185","0.1216","","","","","","1.118","","","","has coordinates,has disorder","222322","2020-10-21","18:00:00",""
"4033748","8.4109","0.0004","10.9387","0.0004","28.7518","0.0013","90","","90","","90","","2645.3","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Si -","- C30 H34 Si -","- C120 H136 Si4 -","4","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0486","0.04","","","0.1028","0.1096","","","","","","1.046","","","","has coordinates","222323","2020-10-21","18:00:00",""
"4033749","7.1974","0.0005","8.1606","0.0007","16.5692","0.001","82.517","0.006","83.519","0.005","77.911","0.007","939.82","0.12","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 Si -","- C24 H22 Si -","- C48 H44 Si2 -","2","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0479","0.0388","","","0.0934","0.0986","","","","","","1.054","","","","has coordinates","222324","2020-10-21","18:00:00",""
"4033750","13.014","0.0019","6.953","0.0006","14.952","0.002","90","","95.305","0.012","90","","1347.2","0.3","210","2","210","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-2-methylbenzonitrile","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Sardarian, Ali Reza; Dindarloo Inaloo, Iman; Modarresi-Alam, Ali Reza; Kleinpeter, Erich; Schilde, Uwe","Metal-Free Regioselective Monocyanation of Hydroxy-, Alkoxy-, and Benzyloxyarenes by Potassium Thiocyanate and Silica Sulfuric Acid as a Cyanating Agent.","The Journal of organic chemistry","2019","84","4","1748","1756","10.1021/acs.joc.8b02191","","","0.71073","MoKα","","0.0363","0.0318","","","0.0915","0.0941","","","","","","1.081","","","","has coordinates","222325","2020-10-21","18:00:00",""
"4033751","7.5827","0.0012","18.634","0.003","11.1673","0.0018","90","","90","","90","","1577.9","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Wang, Quannan; Lou, Jiang; Huang, Zilong; Yu, Zhengkun","Rhodium(III)-Catalyzed Annulation of Acetophenone O-Acetyl Oximes with Allenoates through Arene C-H Activation: An Access to Isoquinolines.","The Journal of organic chemistry","2019","84","4","2083","2092","10.1021/acs.joc.8b03092","","","0.71073","MoKα","","0.1038","0.0663","","","0.182","0.2208","","","","","","1.027","","","","has coordinates,has disorder","222326","2020-10-21","18:00:00",""
"4033752","11.8124","0.0004","10.593","0.0004","11.7212","0.0004","90","","115.715","0.001","90","","1321.41","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Mane, Kishor D.; Mukherjee, Anagh; Vanka, Kumar; Suryavanshi, Gurunath","Metal-Free Regioselective Cross Dehydrogenative Coupling of Cyclic Ethers and Aryl Carbonyls.","The Journal of organic chemistry","2019","84","4","2039","2047","10.1021/acs.joc.8b03048","","","0.71073","MoKα","","0.0412","0.0384","","","0.1051","0.1076","","","","","","1.063","","","","has coordinates","222327","2020-10-21","18:00:00",""
"4033753","18.22","0.004","23.595","0.005","8.884","0.002","90","","90","","90","","3819.2","1.4","297","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H18 Cl F N2 -","- C24 H18 Cl F N2 -","- C192 H144 Cl8 F8 N16 -","8","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1006","0.0448","","","0.1068","0.1252","","","","","","0.994","","","","has coordinates","222328","2020-10-21","18:00:00",""
"4033754","10.739","0.005","11.862","0.005","18.168","0.008","90","","96.767","0.008","90","","2298.2","1.8","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N2 O2 -","- C30 H19 Cl N2 O2 -","- C120 H76 Cl4 N8 O8 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.1238","0.0488","","","0.127","0.1808","","","","","","0.908","","","","has coordinates","222329","2020-10-21","18:00:00",""
"4033755","15.117","0.002","7.2213","0.0011","19.403","0.003","90","","96.412","0.002","90","","2104.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F N3 O2 -","- C25 H20 F N3 O2 -","- C100 H80 F4 N12 O8 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao","Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","4","1999","2011","10.1021/acs.joc.8b03008","","","0.71073","MoKα","","0.0816","0.0444","","","0.1165","0.1359","","","","","","0.924","","","","has coordinates","222330","2020-10-21","18:00:00",""
"4033756","15.103","0.0005","12.2789","0.0003","16.4063","0.0012","90","","95.27","0.007","90","","3029.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B F2 N4 O3 -","- C32 H39 B F2 N4 O3 -","- C128 H156 B4 F8 N16 O12 -","4","1","","Didukh, Natalia O.; Yakubovskyi, Viktor P.; Zatsikha, Yuriy V.; Rohde, Gregory T.; Nemykin, Victor N.; Kovtun, Yuriy P.","Flexible BODIPY Platform That Offers an Unexpected Regioselective Heterocyclization Reaction toward Preparation of 2-Pyridone[ a]-Fused BODIPYs.","The Journal of organic chemistry","2019","84","4","2133","2147","10.1021/acs.joc.8b03119","","","1.54187","CuKα","","0.2199","0.0948","","","0.2034","0.2937","","","","","","0.918","","","","has coordinates","222331","2020-10-21","18:00:00",""
"4033757","10.2762","0.0006","12.0264","0.0005","15.3863","0.0009","90","","107.183","0.007","90","","1816.65","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F4 N O4 S -","- C20 H11 F4 N O4 S -","- C80 H44 F16 N4 O16 S4 -","4","1","","Shaikh, Aslam C.; Varma, Mokshada E.; Mule, Ravindra D.; Banerjee, Somsuvra; Kulkarni, Prasad P.; Patil, Nitin T.","Ionic Pyridinium-Oxazole Dyads: Design, Synthesis, and Application in Mitochondrial Imaging.","The Journal of organic chemistry","2019","84","4","1766","1777","10.1021/acs.joc.8b02528","","x-ray","0.71073","MoKα","","0.0627","0.0473","","","0.1105","0.1208","","","","","","1.016","","","","has coordinates","222332","2020-10-21","18:00:00",""
"4033758","17.6979","0.0007","14.683","0.0005","18.0759","0.0009","90","","102.211","0.004","90","","4590.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 N O -","- C26 H35 N O -","- C208 H280 N8 O8 -","8","1","","Lv, Xintong; Hu, Fangzhi; Duan, Kang; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian","Aromatization-Driven Cascade [1,5]-Hydride Transfer/Spirocyclization Promoted by Fluorinated Alcohols.","The Journal of organic chemistry","2019","84","4","1833","1844","10.1021/acs.joc.8b02754","","","1.54184","CuKα","","0.0859","0.0658","","","0.182","0.1988","","","","","","1.065","","","","has coordinates","222333","2020-10-21","18:00:00",""
"4033759","11.3002","0.0013","7.7195","0.0011","13.2835","0.0018","90","","104.288","0.005","90","","1122.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F N O3 -","- C14 H8 F N O3 -","- C56 H32 F4 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael","Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.","The Journal of organic chemistry","2019","84","4","1898","1907","10.1021/acs.joc.8b02899","","x-ray","0.71073","MoKα","","0.0629","0.0429","","","0.099","0.1091","","","","","","1.027","","","","has coordinates","222334","2020-10-21","18:00:00",""
"4033760","10.8718","0.0014","8.0647","0.0012","13.948","0.002","90","","103.979","0.005","90","","1186.7","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael","Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.","The Journal of organic chemistry","2019","84","4","1898","1907","10.1021/acs.joc.8b02899","","x-ray","0.71073","MoKα","","0.0906","0.0547","","","0.1204","0.1349","","","","","","1.071","","","","has coordinates","222335","2020-10-21","18:00:00",""
"4033761","13.232","0.002","9.075","0.001","15.852","0.003","90","","113.34","0.02","90","","1747.7","0.5","120","2","120.1","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(tert-Butylphenylphosphinoyl)-1,2,3,4-tetrahydro-naphthalen-1-ol","","- C20 H25 O2 P -","- C20 H25 O2 P -","- C80 H100 O8 P4 -","4","1","","Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał","[4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.","The Journal of organic chemistry","2019","84","4","1818","1832","10.1021/acs.joc.8b02659","","x-ray","1.54184","CuKα","","0.0497","0.038","","","0.1005","0.1135","","","","","","1.116","","","","has coordinates","222336","2020-10-21","18:00:00",""
"4033762","8.151","0.001","11.163","0.001","12.884","0.001","92.9","0.02","108.43","0.02","108.82","0.02","1037.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-3'-(methylphenylphosphinoyl)-[1,2']binaphthalen","","- C28 H23 O P -","- C28 H23 O P -","- C56 H46 O2 P2 -","2","1","","Frynas, Sławomir; Łastawiecka, Elżbieta; Kozioł, Anna E; Flis, Anna; Pietrusiewicz, K Michał","[4 + 2] Cycloaddition of Vinylphosphine Oxides to α-Oxy- o-xylylene as a route to Phosphorylated Naphthyl and Biaryl Scaffolds.","The Journal of organic chemistry","2019","84","4","1818","1832","10.1021/acs.joc.8b02659","","x-ray","1.54184","CuKα","","0.0937","0.0694","","","0.2091","0.2639","","","","","","1.147","","","","has coordinates","222337","2020-10-21","18:00:00",""
"4033763","8.2011","0.0002","11.834","0.0002","12.8962","0.0002","103.174","0.001","97.585","0.001","100.164","0.001","1180.01","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","jslm423c","","","- C26 H36 O Sn -","- C26 H36 O Sn -","- C52 H72 O2 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0318","0.0264","","","0.0519","0.0533","","","","","","1.032","","","","has coordinates","222338","2020-10-21","18:00:00",""
"4033764","8.9654","0.0002","13.7149","0.0003","17.4475","0.0004","109.312","0.001","98.622","0.001","100.714","0.001","1936.94","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","jslm421c","","","- C22 H28 O Sn -","- C22 H28 O Sn -","- C88 H112 O4 Sn4 -","4","2","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0369","0.0252","","","0.0518","0.0551","","","","","","1.029","","","","has coordinates","222339","2020-10-21","18:00:00",""
"4033765","8.5486","0.0002","9.457","0.0002","13.5496","0.0004","104.987","0.002","102.052","0.002","105.996","0.002","969.81","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL155.19","","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C46 H48 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0577","0.0407","","","0.0932","0.0998","","","","","","1.063","","","","has coordinates","222340","2020-10-21","18:00:00",""
"4033766","6.3661","0.001","11.643","0.002","19.66","0.002","90","","92.225","0.001","90","","1456.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O2 Sn -","- C15 H22 O2 Sn -","- C60 H88 O8 Sn4 -","4","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0215","0.0181","","","0.04","0.0411","","","","","","1.071","","","","has coordinates","222341","2020-10-21","18:00:00",""
"4033767","6.496","0.005","9.534","0.005","14.051","0.005","80.55","0.005","85.234","0.005","88.217","0.005","855.3","0.9","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H22 O2 Sn -","- C19 H22 O2 Sn -","- C38 H44 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0374","0.0325","","","0.0828","0.0858","","","","","","1.067","","","","has coordinates","222342","2020-10-21","18:00:00",""
"4033768","9.8186","0.0007","14.6173","0.0007","17.1072","0.0011","90","","99.379","0.002","90","","2422.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","JSRL496.Rx","","","- C32 H28 O4 -","- C32 H28 O4 -","- C128 H112 O16 -","4","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0898","0.0495","","","0.1051","0.1227","","","","","","1.037","","","","has coordinates","222343","2020-10-21","18:00:00",""
"4033769","13.2165","0.0009","11.0383","0.0008","19.3944","0.0013","90","","99.147","0.004","90","","2793.4","0.3","100","2","100","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","Dimethyl trans-1,4-dimethyl-1,4-dihydronaphthalene-1,4-dicarboxylate","","- C16 H18 O4 -","- C16 H18 O4 -","- C128 H144 O32 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0551","0.0375","","","0.0852","0.0941","","","","","","1.044","","","","has coordinates","222344","2020-10-21","18:00:00",""
"4033770","7.8075","0.0002","8.5765","0.0002","13.6373","0.0004","76.778","0.001","79.794","0.002","70.097","0.001","830.93","0.04","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0672","0.0437","","","0.0982","0.1103","","","","","","1.049","","","","has coordinates","222345","2020-10-21","18:00:00",""
"4033771","8.7541","0.0005","14.8903","0.0009","8.3727","0.0004","90","","109.708","0.003","90","","1027.46","0.1","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","JSRL494.Rx","","","- C24 H28 O4 -","- C24 H28 O4 -","- C48 H56 O8 -","2","0.5","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0679","0.0462","","","0.1169","0.1279","","","","","","1.13","","","","has coordinates","222346","2020-10-21","18:00:00",""
"4033772","17.744","0.005","6.791","0.002","24.079","0.008","90","","90","","90","","2901.5","1.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 Sn -","- C15 H20 O2 Sn -","- C120 H160 O16 Sn8 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0458","0.0287","","","0.0591","0.0651","","","","","","1.032","","","","has coordinates","222347","2020-10-21","18:00:00",""
"4033773","7.8587","0.0002","8.7834","0.0002","12.8731","0.0003","75.532","0.001","81.538","0.001","85.221","0.002","850.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL147","","","- C19 H24 O2 Sn -","- C19 H24 O2 Sn -","- C38 H48 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.024","0.0213","","","0.0477","0.0485","","","","","","1.043","","","","has coordinates","222348","2020-10-21","18:00:00",""
"4033774","7.6944","0.0001","8.8116","0.0002","12.8831","0.0003","75.06","0.001","83.844","0.001","85.42","0.001","837.84","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JS2RL158","","","- C19 H22 O2 Sn -","- C19 H22 O2 Sn -","- C38 H44 O4 Sn2 -","2","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.71073","MoKα","","0.0299","0.0252","","","0.0535","0.0549","","","","","","1.036","","","","has coordinates","222349","2020-10-21","18:00:00",""
"4033775","18.42","0.02","7.773","0.01","27.24","0.04","90","","94.216","0.013","90","","3890","9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C216 H152 N24 -","8","1","","Omura, Yuta; Tachi, Yoshimitsu; Okada, Keiji; Kozaki, Masatoshi","Synthesis and Properties of Nitrogen-Containing Pyrenes.","The Journal of organic chemistry","2019","84","4","2032","2038","10.1021/acs.joc.8b02962","","","0.71075","MoKα","","0.0929","0.0614","","","0.1476","0.1657","","","","","","1.093","","","","has coordinates","222350","2020-10-21","18:00:00",""
"4033776","8.085","0.0002","9.7409","0.0003","13.8853","0.0003","88.792","0.002","80.674","0.002","78.623","0.003","1057.81","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N5 -","- C26 H21 N5 -","- C52 H42 N10 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0472","0.0399","","","0.1046","0.1098","","","","","","1.032","","","","has coordinates","222351","2020-10-21","18:00:00",""
"4033777","11.3428","0.0006","11.4979","0.0005","17.2272","0.0007","90.152","0.003","93.927","0.004","97.454","0.004","2222.38","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","2","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0971","0.0721","","","0.2015","0.2213","","","","","","1.06","","","","has coordinates","222352","2020-10-21","18:00:00",""
"4033778","7.6472","0.0002","13.1667","0.0004","20.5771","0.0007","90","","90","","90","","2071.88","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C100 H72 F12 N12 O4 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1014","0.1042","","","","","","1.053","","","","has coordinates","222353","2020-10-21","18:00:00",""
"4033779","9.6497","0.0006","20.2453","0.001","9.9639","0.0006","90","","104.568","0.006","90","","1883.98","0.19","293","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","0.71073","MoKα","","0.1114","0.0589","","","0.1293","0.1529","","","","","","1.021","","","","has coordinates","222354","2020-10-21","18:00:00",""
"4033780","15.212","0.0006","9.2803","0.0003","10.3264","0.0003","90","","90","","90","","1457.8","0.09","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0492","0.0471","","","0.144","0.1492","","","","","","1.173","","","","has coordinates","222355","2020-10-21","18:00:00",""
"4033781","9.9466","0.001","11.2291","0.0005","11.3124","0.0006","90.294","0.004","112.968","0.009","96.803","0.006","1153.32","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N8 Pd -","- C28 H40 N8 Pd -","- C28 H40 N8 Pd -","1","0.5","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0636","0.0536","","","0.1566","0.1671","","","","","","1.083","","","","has coordinates","222356","2020-10-21","18:00:00",""
"4033782","11.132","0.0012","11.8213","0.0011","18.4912","0.0016","74.933","0.008","75.154","0.009","63.737","0.01","2078.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F6 N O2 -","- C23 H15 F6 N O2 -","- C92 H60 F24 N4 O8 -","4","2","","Xu, Fen; Si, Xiao-Ju; Song, Yuan-Yuan; Wang, Xing-Dong; Liu, Chun-Sen; Geng, Peng-Fei; Du, Miao","Palladium-Catalyzed C-N Bond Cleavage of 2 H-Azirines for the Synthesis of Functionalized α-Amido Ketones.","The Journal of organic chemistry","2019","84","4","2200","2208","10.1021/acs.joc.8b03193","","x-ray","1.54184","CuKα","","0.0909","0.0705","","","0.2049","0.2356","","","","","","1.054","","","","has coordinates","222357","2020-10-21","18:00:00",""
"4033783","7.3847","0.001","8.4879","0.0012","18.625","0.003","90","","100.016","0.002","90","","1149.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F3 N O2 -","- C12 H8 F3 N O2 -","- C48 H32 F12 N4 O8 -","4","1","","Xiao, Pan; Schlinquer, Claire; Pannecoucke, Xavier; Bouillon, Jean-Philippe; Couve-Bonnaire, Samuel","Synthesis of α-Trifluoromethylacrylates by Ligand-Free Palladium-Catalyzed Mizoroki-Heck Reaction.","The Journal of organic chemistry","2019","84","4","2072","2082","10.1021/acs.joc.8b03085","","x-ray","0.71073","MoKα","","0.0614","0.0486","","","0.1269","0.1415","","","","","","1.036","","","","has coordinates","222358","2020-10-21","18:00:00",""
"4033784","11.0461","0.0018","17.852","0.003","8.7609","0.0014","90","","109.569","0.019","90","","1627.8","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.1674","0.0986","","","0.2474","0.2961","","","","","","1.193","","","","has coordinates","222359","2020-10-21","18:00:00",""
"4033785","20.1905","0.0009","15.9988","0.0006","9.2004","0.0003","90","","90","","90","","2971.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H28 N6 O3 -","- C36 H28 N6 O3 -","- C144 H112 N24 O12 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0483","0.0417","","","0.0964","0.1015","","","","","","1.044","","","","has coordinates","222360","2020-10-21","18:00:00",""
"4033786","9.4306","0.001","19.0359","0.0018","8.6514","0.001","90","","111.783","0.013","90","","1442.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F3 N2 O2 -","- C18 H9 F3 N2 O2 -","- C72 H36 F12 N8 O8 -","4","1","","Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.","Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.","The Journal of organic chemistry","2019","84","4","2112","2125","10.1021/acs.joc.8b03114","","x-ray","0.71073","MoKα","","0.0843","0.0556","","","0.121","0.1419","","","","","","1.035","","","","has coordinates","222361","2020-10-21","18:00:00",""
"4033787","8.5514","0.001","9.1709","0.0009","11.9633","0.0013","106.6","0.009","107.693","0.01","91.964","0.009","849.01","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C40 H36 N4 S2 -","2","1","","He, Yuan; Lou, Jiang; Wu, Kaikai; Wang, Hongmei; Yu, Zhengkun","Copper-Catalyzed Radical C-C Bond Cleavage and [4+1] Annulation Cascade of Cycloketone Oxime Esters with Enaminothiones.","The Journal of organic chemistry","2019","84","4","2178","2190","10.1021/acs.joc.8b03175","","","0.71073","MoKα","","0.0792","0.0458","","","0.103","0.1262","","","","","","1.03","","","","has coordinates","222362","2020-10-21","18:00:00",""
"4033788","8.2746","0.0005","10.5612","0.0006","25.1263","0.0015","90","","90","","90","","2195.8","0.2","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br2 N O S -","- C21 H25 Br2 N O S -","- C84 H100 Br8 N4 O4 S4 -","4","1","","Mendes, Joseane A.; Merino, Pedro; Soler, Tatiana; Salustiano, Eduardo J.; Costa, Paulo R. R.; Yus, Miguel; Foubelo, Francisco; Buarque, Camilla D.","Enantioselective Synthesis, DFT Calculations, and Preliminary Antineoplastic Activity of Dibenzo 1-Azaspiro[4.5]decanes on Drug-Resistant Leukemias.","The Journal of organic chemistry","2019","84","4","2219","2233","10.1021/acs.joc.8b03203","","","0.71073","MoKα","","0.056","0.0379","","","0.0899","0.0962","","","","","","1.005","","","","has coordinates","222363","2020-10-21","18:00:00",""
"4033789","22.149","0.002","5.7598","0.0005","23.403","0.002","90","","112.289","0.003","90","","2762.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Br3 O3 S -","- C28 H17 Br3 O3 S -","- C112 H68 Br12 O12 S4 -","4","1","","Liu, Shuai; Chen, Ke; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Generation of 1,3-Dimethylene-Substituted Isobenzofurans via Pd(II)-Catalyzed Selective Oxo-cyclization/SO<sub>2</sub> Insertion Cascade of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","84","4","1964","1971","10.1021/acs.joc.8b02934","","","0.71073","MoKα","","0.2223","0.1139","","","0.2933","0.3371","","","","","","1.083","","","","has coordinates","222364","2020-10-21","18:00:00",""
"4033790","3.9525","0.0002","14.699","0.0008","24.6043","0.0014","90","","94.082","0.005","90","","1425.83","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F O3 -","- C18 H17 F O3 -","- C72 H68 F4 O12 -","4","1","","Carral-Menoyo, Asier; Misol, Alexander; Gómez-Redondo, Marcos; Sotomayor, Nuria; Lete, Esther","Palladium(II)-Catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes.","The Journal of organic chemistry","2019","84","4","2048","2060","10.1021/acs.joc.8b03051","","x-ray","1.54184","CuKα","","0.0801","0.0688","","","0.176","0.182","","","","","","1.16","","","","has coordinates","222365","2020-10-21","18:00:00",""
"4033791","24.3624","0.0004","9.6996","0.0001","17.2506","0.0003","90","","90","","90","","4076.41","0.11","290","2","290","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22 H23 B2 Cu F8.67 N5 -","- C22 H23 B2 Cu F8.66667 N5 -","- C132 H138 B12 Cu6 F52 N30 -","6","1.5","","Przypis, Lukasz; Walczak, Krzysztof Zdzislaw","Copper(II)-Catalyzed Iodinations of Carbazoles: Access to Functionalized Carbazoles.","The Journal of organic chemistry","2019","84","4","2287","2296","10.1021/acs.joc.8b02821","","","0.71073","MoKα","","0.0507","0.0466","","","0.1337","0.1393","","","","","","1.045","","","","has coordinates","222366","2020-10-21","18:00:00",""
"4033792","5.8286","0.0002","17.7357","0.0005","15.3923","0.0005","90","","91.769","0.001","90","","1590.41","0.09","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl3 N -","- C17 H16 Cl3 N -","- C68 H64 Cl12 N4 -","4","1","","Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui","Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.","The Journal of organic chemistry","2019","84","4","2234","2242","10.1021/acs.joc.8b03238","","","1.54178","CuKα","","0.0715","0.0695","","","0.1726","0.1765","","","","","","1.096","","","","has coordinates,has disorder","222367","2020-10-21","18:00:00",""
"4033793","5.9898","0.0003","13.5958","0.0006","18.3204","0.0009","90","","94.635","0.001","90","","1487.06","0.12","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl3 N -","- C16 H14 Cl3 N -","- C64 H56 Cl12 N4 -","4","1","","Xu, Changming; Zhu, Zhaobin; Wang, Yongchang; Jing, Zhiguo; Gao, Bin; Zhao, Li; Dong, Wen-Kui","Oxidative α-Trichloromethylation of Tertiary Amines: An Entry to α-Amino Acid Esters.","The Journal of organic chemistry","2019","84","4","2234","2242","10.1021/acs.joc.8b03238","","","0.71073","MoKα","","0.0464","0.0443","","","0.111","0.1127","","","","","","1.07","","","","has coordinates","222368","2020-10-21","18:00:00",""
"4033794","12.0189","0.001","9.9953","0.0008","13.3769","0.0011","90","","90.839","0.002","90","","1606.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C68 H68 N4 O16 S4 -","4","1","","Wang, Li-Jing; Chen, Jia-Min; Dong, Wei; Hou, Cong-Ying; Pang, Mingming; Jin, Wen-Bo; Dong, Fu-Gui; Xu, Zhi-Dong; Li, Wei","Synthesis of Sulfonylated Lactams by Copper-Mediated Aminosulfonylation of 2-Vinylbenzamides with Sodium Sulfinates.","The Journal of organic chemistry","2019","84","4","2330","2338","10.1021/acs.joc.8b03002","","","0.71073","MoKα","","0.0924","0.0443","","","0.1013","0.1216","","","","","","1.018","","","","has coordinates","222369","2020-10-21","18:00:00",""
"4033795","7.9582","0.0004","19.5408","0.0008","21.7073","0.0013","90","","94.838","0.005","90","","3363.7","0.3","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H33 N2 O3 -","- C46 H33 N2 O3 -","- C184 H132 N8 O12 -","4","2","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0831","0.0767","","","0.208","0.2205","","","","","","1.049","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033796","13.9994","0.001","15.5034","0.0011","15.4665","0.0013","90","","90","","90","","3356.8","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C168 H152 N16 O24 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0509","0.0467","","","0.1193","0.1243","","","","","","1.034","","","","has coordinates,has disorder","222371","2020-10-21","18:00:00",""
"4033797","10.928","0.0002","12.6925","0.0002","11.194","0.0002","90","","106.253","0.002","90","","1490.6","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 O3 -","- C41 H28 N4 O3 -","- C82 H56 N8 O6 -","2","1","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","0.71073","MoKα","","0.0609","0.0453","","","0.0801","0.0866","","","","","","1.057","","","","has coordinates","222372","2020-10-21","18:00:00",""
"4033798","24.08","0.002","8.0155","0.0005","20.6822","0.0018","90","","117.408","0.011","90","","3543.8","0.6","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C192 H152 N16 O8 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0505","0.0445","","","0.1192","0.1254","","","","","","1.022","","","","has coordinates","222373","2020-10-21","18:00:00",""
"4033799","13.225","0.0011","9.6562","0.0006","10.7321","0.0009","90","","110.028","0.009","90","","1287.64","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zym","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Zhu, Yi-Ming; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Palladium Catalyzed Insertion Reaction of Isocyanides with 3-Arylisoxazol-5(4<i>H</i>)-ones: Synthesis of 4-Aminomethylidene Isoxazolone Derivates.","The Journal of organic chemistry","2019","84","17","11007","11013","10.1021/acs.joc.9b01585","","","1.54184","CuKα","","0.0757","0.0571","","","0.1522","0.1865","","","","","","1.088","","","","has coordinates","222374","2020-10-21","18:00:00",""
"4033800","10.2417","0.0018","10.911","0.002","20.105","0.003","90","","90","","90","","2246.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F N2 O4 -","- C26 H23 F N2 O4 -","- C104 H92 F4 N8 O16 -","4","1","","Mishra, Manmath; De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereospecific Copper(II)-Catalyzed Tandem Ring Opening/Oxidative Alkylation of Donor-Acceptor Cyclopropanes with Hydrazones: Synthesis of Tetrahydropyridazines.","The Journal of organic chemistry","2019","84","17","10901","10910","10.1021/acs.joc.9b01506","","","0.71073","MoKα","","0.1253","0.0608","","","0.1415","0.1802","","","","","","0.999","","","","has coordinates","222376","2020-10-21","18:00:00",""
"4033801","6.8189","0.0002","11.2964","0.0002","11.9414","0.0002","112.704","0.001","97.567","0.001","90.137","0.001","839.74","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O -","- C21 H28 O -","- C42 H56 O2 -","2","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","1.54178","CuKα","","0.0473","0.041","","","0.1149","0.1175","","","","","","1.132","","","","has coordinates","222377","2020-10-21","18:00:00",""
"4033802","7.6784","0.001","20.557","0.003","24.693","0.004","90","","90","","90","","3897.7","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H34 O -","- C24 H34 O -","- C192 H272 O8 -","8","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0739","0.0548","","","0.1354","0.1448","","","","","","1.035","","","","has coordinates","222378","2020-10-21","18:00:00",""
"4033803","6.873","0.003","10.713","0.004","12.301","0.005","77.259","0.006","74.195","0.005","87.039","0.006","850","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0458","0.0436","","","0.1194","0.1221","","","","","","1.011","","","","has coordinates","222379","2020-10-21","18:00:00",""
"4033804","13.7963","0.0018","18.445","0.003","9.0679","0.0012","90","","102.076","0.002","90","","2256.5","0.6","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","compound 3o","","","- C13 H14 O4 -","- C13 H14 O4 -","- C104 H112 O32 -","8","1","","Mari, Giacomo; Ciccolini, Cecilia; De Crescentini, Lucia; Favi, Gianfranco; Santeusanio, Stefania; Mancinelli, Michele; Mantellini, Fabio","Metal and Oxidant-Free Brønsted Acid-Mediated Cascade Reaction to Substituted Benzofurans.","The Journal of organic chemistry","2019","84","17","10814","10824","10.1021/acs.joc.9b01363","","","0.71073","MoKα","","0.0675","0.055","","","0.1243","0.1309","","","","","","1.082","","","","has coordinates","222380","2020-10-21","18:00:00",""
"4033805","13.0572","0.0003","13.388","0.0004","15.1573","0.0004","100.923","0.001","100.563","0.001","114.123","0.001","2271.69","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","BAB1","","","- C57 H60 O5 -","- C57 H60 O5 -","- C114 H120 O10 -","2","1","","Samanta, Debabrata; Singh, Ashish; Verma, Parul; Bhattacharyya, Sohini; Roy, Syamantak; Maji, Tapas Kumar","Photoswitchable J-Aggregated Processable Organogel by Integrating a Photochromic Acceptor.","The Journal of organic chemistry","2019","84","17","10946","10952","10.1021/acs.joc.9b01555","","","0.71073","MoKα","","0.2968","0.135","","","0.3025","0.4002","","","","","","0.999","","","","has coordinates","222381","2020-10-21","18:00:00",""
"4033806","17.272","0.003","7.6066","0.0011","16.875","0.003","90","","94.224","0.002","90","","2211","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl Ir N3 O -","- C24 H29 Cl Ir N3 O -","- C96 H116 Cl4 Ir4 N12 O4 -","4","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0455","0.0351","","","0.0751","0.0797","","","","","","1.06","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4033807","9.4429","0.0016","9.4429","0.0016","24.644","0.004","90","","90","","90","","2197.5","0.6","93","","93","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C80 H144 N16 O16 -","8","1","","Tanaka, Kouichi; Miki, Takashi; Murata, Kunihiko; Yamaguchi, Ayumi; Kayaki, Yoshihito; Kuwata, Shigeki; Ikariya, Takao; Watanabe, Masahito","Reductive Amination of Ketonic Compounds Catalyzed by Cp*Ir(III) Complexes Bearing a Picolinamidato Ligand.","The Journal of organic chemistry","2019","84","17","10962","10977","10.1021/acs.joc.9b01565","","","0.71075","MoKα","","0.0685","0.0618","","","0.152","0.1593","","","","","","1.042","","","","has coordinates","222382","2020-10-21","18:00:00",""
"4033808","6.851","0.005","8.263","0.005","13.822","0.005","91.426","0.005","96.359","0.005","109.445","0.005","731.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N O2 -","- C19 H14 N O2 -","- C38 H28 N2 O4 -","2","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1359","0.0805","","","0.2046","0.2663","","","","","","1.028","","","","has coordinates","222383","2020-10-21","18:00:00",""
"4033809","8.8279","0.0004","11.0895","0.0005","16.9907","0.0007","90","","93.943","0.002","90","","1659.4","0.13","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.0441","0.0375","","","0.0911","0.0966","","","","","","1.0614","","","","has coordinates","222384","2020-10-21","18:00:00",""
"4033810","12.6894","0.0018","9.7926","0.0015","12.566","0.005","90","","94.98","0.02","90","","1555.6","0.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1147","0.0716","","","0.1703","0.2288","","","","","","1.1542","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033811","6.298","0.003","19.536","0.01","14.791","0.008","90","","97.6","0.006","90","","1803.9","1.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DMP","","- C20 H18 N O4 P -","- C20 H18 N O4 P -","- C80 H72 N4 O16 P4 -","4","1","","Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav","Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.","The Journal of organic chemistry","2019","84","17","10710","10723","10.1021/acs.joc.9b00662","","","0.71073","MoKα","","0.1934","0.0794","","","0.1968","0.2468","","","","","","1.0989","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033812","15.2134","0.0002","13.9926","0.00017","16.96049","0.00017","90","","98.3027","0.0012","90","","3572.62","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9-phosphatriptycene tris(pentafluorophenyl)borane complex","9-phosphatriptycene tris(pentafluorophenyl)borane complex","","- C37.71 H14.42 B Cl1.42 F15 P -","- C37.711 H14.422 B Cl1.422 F15 P -","- C150.844 H57.688 B4 Cl5.688 F60 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0562","0.0429","","","0.1133","0.1243","","","","","","1.033","","","","has coordinates,has disorder","222387","2020-10-21","18:00:00",""
"4033813","15.031","0.0005","8.2009","0.0002","13.1609","0.0004","90","","120.422","0.004","90","","1398.95","0.09","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0335","0.0283","","","0.0731","0.0768","","","","","","1.015","","","","has coordinates,has disorder","222388","2020-10-21","18:00:00",""
"4033814","14.8144","0.001","8.1417","0.0003","13.0081","0.0009","90","","120.325","0.01","90","","1354.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","9-phosphatriptycene","10H-5,10-[1,2]benzenoacridophosphine","","- C19 H13 P -","- C19 H13 P -","- C76 H52 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","0.71073","MoKα","","0.0371","0.034","","","0.0806","0.0831","","","","","","1.062","","","","has coordinates,has disorder","222389","2020-10-21","18:00:00",""
"4033815","13.4876","0.0002","13.4876","0.0002","57.4638","0.0016","90","","90","","120","","9053","0.3","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex","","- C38 H28 B F4 P -","- C38 H28 B F4 P -","- C456 H336 B12 F48 P12 -","12","0.333333","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0717","0.0648","","","0.2026","0.2122","","","","","","1.079","","","","has coordinates","222390","2020-10-21","18:00:00",""
"4033816","25.0052","0.0002","8.40856","0.00008","20.01476","0.00018","90","","94.2309","0.0008","90","","4196.79","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9-thionobenzoate-10-phosphatriptycene","9-thionobenzoate-10-phosphatriptycene","","- C26 H17 O2 P S -","- C26 H17 O2 P S -","- C208 H136 O16 P8 S8 -","8","2","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.","The Journal of organic chemistry","2019","84","17","11268","11274","10.1021/acs.joc.9b01570","","","1.54184","CuKα","","0.0382","0.0366","","","0.0937","0.0948","","","","","","1.104","","","","has coordinates","222391","2020-10-21","18:00:00",""
"4033817","15.6241","0.0005","17.7725","0.0007","8.396","0.0005","90","","90","","90","","2331.4","0.18","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-(2-hydroxyphenyl)-7-trifluoromethyl-2,3-dihydro-1H-1,4-diazepine","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C96 H88 F24 N16 O8 -","8","1","","Rocha, Mariana; Gil, Diego M.; Echeverría, Gustavo A; Piro, Oscar E.; Jios, Jorge L.; Ulic, Sonia E.","Enol-imino-Keto-enamine Tautomerism in a Diazepine Derivative: How Decisive Are the Intermolecular Interactions in the Equilibrium?","The Journal of organic chemistry","2019","84","17","11042","11053","10.1021/acs.joc.9b01533","","x-ray","0.71073","MoKα","","0.0929","0.0496","","","0.1021","0.1219","","","","","","1.034","","","","has coordinates,has disorder","222392","2020-10-21","18:00:00",""
"4033818","11.9684","0.0002","12.1357","0.0003","11.6184","0.0003","90","","95.415","0.002","90","","1679.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","","Shimoda, Kazuma; Yamaoka, Yousuke; Yoo, Dongeun; Yamada, Ken-Ichi; Takikawa, Hiroshi; Takasu, Kiyosei","Total Syntheses of Allelopathic 4-Oxyprotoilludanes, Melleolides, and Echinocidins.","The Journal of organic chemistry","2019","84","17","11014","11024","10.1021/acs.joc.9b01589","","x-ray","1.54184","CuKα","","0.0566","0.0522","","","0.1381","0.1402","","","","","","1.157","","","","has coordinates","222393","2020-10-21","18:00:00",""
"4033819","8.3723","0.0006","9.9567","0.0007","10.2048","0.0006","94.494","0.005","102.935","0.005","99.045","0.005","813.06","0.1","93","","93","","","","","","","","","4","P -1","-P 1","2","","KS","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C34 H52 O6 S2 -","2","1","","Shimoda, Kazuma; Yamaoka, Yousuke; Yoo, Dongeun; Yamada, Ken-Ichi; Takikawa, Hiroshi; Takasu, Kiyosei","Total Syntheses of Allelopathic 4-Oxyprotoilludanes, Melleolides, and Echinocidins.","The Journal of organic chemistry","2019","84","17","11014","11024","10.1021/acs.joc.9b01589","","x-ray","1.54184","CuKα","","0.068","0.0644","","","0.1789","0.1825","","","","","","1.082","","","","has coordinates","222394","2020-10-21","18:00:00",""
"4033820","6.5477","0.0001","12.0793","0.0001","20.9684","0.0003","90","","91.419","0.001","90","","1657.92","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2.42 H2.06 N0.12 O0.36 -","- C2.42424 H2.06061 N0.121212 O0.363636 -","- C80 H68 N4 O12 -","33","16.5","","Liang, Hao; Zhou, Xiaotong; Zheng, Liyao; Wang, Jun","Enantioselective Organocatalytic Desymmetrization of Cyclopentene-1,3-diones through Formal C(sp<sup>2</sup>)-H Amidation.","The Journal of organic chemistry","2019","84","17","11306","11315","10.1021/acs.joc.9b01678","","","1.54178","CuKα","","0.0364","0.0345","","","0.0914","0.0935","","","","","","1.021","","","","has coordinates","222395","2020-10-21","18:00:00",""
"4033821","10.9009","0.0004","10.9293","0.0005","11.467","0.0006","70.334","0.004","64.617","0.004","85.903","0.003","1158.02","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl N2 O2 S -","- C28 H21 Cl N2 O2 S -","- C56 H42 Cl2 N4 O4 S2 -","2","1","","Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua","Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles.","The Journal of organic chemistry","2019","84","17","11348","11358","10.1021/acs.joc.9b01818","","x-ray","0.71073","MoKα","","0.0458","0.0388","","","0.0899","0.095","","","","","","1.008","","","","has coordinates","222396","2020-10-21","18:00:00",""
"4033822","8.4805","0.0005","22.3313","0.0013","13.9538","0.0008","90","","105.882","0.007","90","","2541.7","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O2 S -","- C31 H28 N2 O2 S -","- C124 H112 N8 O8 S4 -","4","1","","Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua","Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles.","The Journal of organic chemistry","2019","84","17","11348","11358","10.1021/acs.joc.9b01818","","x-ray","0.71073","MoKα","","0.0632","0.0508","","","0.1182","0.1267","","","","","","1.019","","","","has coordinates","222397","2020-10-21","18:00:00",""
"4033823","12.7943","0.0012","15.5553","0.0013","17.9512","0.0017","90","","104.141","0.002","90","","3464.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl4 Cu2 N4 O12 S4 -","- C20 H44 Cl4 Cu2 N4 O12 S4 -","- C80 H176 Cl16 Cu8 N16 O48 S16 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0625","0.0397","","","0.0824","0.0998","","","","","","1.048","","","","has coordinates","222398","2020-10-21","18:00:00",""
"4033824","8.8079","0.0007","10.9869","0.001","31.112","0.003","90","","90","","90","","3010.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 N2 S2 -","- C10 H24 Cl2 N2 S2 -","- C80 H192 Cl16 N16 S16 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.04","0.0305","","","0.073","0.0778","","","","","","1.058","","","","has coordinates","222399","2020-10-21","18:00:00",""
"4033825","16.7399","0.0007","12.0024","0.0005","27.0312","0.0012","90","","90","","90","","5431.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O4 S4 -","- C24 H34 N2 O4 S4 -","- C192 H272 N16 O32 S32 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54178","CuKα","","0.0467","0.0431","","","0.1197","0.1227","","","","","","1.042","","","","has coordinates","222400","2020-10-21","18:00:00",""
"4033826","12.1657","0.0006","17.8449","0.0009","8.3153","0.0004","90","","90","","90","","1805.22","0.15","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C17 H22 N2 O4 S2 -","- C17 H22 N2 O4 S2 -","- C68 H88 N8 O16 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0223","0.0217","","","0.0594","0.06","","","","","","1.012","","","","has coordinates","222401","2020-10-21","18:00:00",""
"4033827","14.0671","0.001","9.6321","0.0007","13.0463","0.0009","90","","90","","90","","1767.7","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cl2 Cu N2 O8 S2 -","- C10 H22 Cl2 Cu N2 O8 S2 -","- C40 H88 Cl8 Cu4 N8 O32 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.1263","0.1251","","","0.3006","0.301","","","","","","1.326","","","","has coordinates,has disorder","222402","2020-10-21","18:00:00",""
"4033828","18.4619","0.0012","7.3383","0.0005","15.6731","0.0009","90","","93.296","0.003","90","","2119.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl N2 O2 S3 -","- C17 H29 Cl N2 O2 S3 -","- C68 H116 Cl4 N8 O8 S12 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0559","0.0403","","","0.1064","0.1162","","","","","","1.057","","","","has coordinates","222403","2020-10-21","18:00:00",""
"4033829","11.3988","0.0006","7.7257","0.0005","24.0175","0.0014","90","","101.992","0.004","90","","2068.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O5 S2 -","- C19 H26 N2 O5 S2 -","- C76 H104 N8 O20 S8 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0769","0.0553","","","0.1402","0.1519","","","","","","1.063","","","","has coordinates","222404","2020-10-21","18:00:00",""
"4033830","5.296","0.002","22.476","0.014","19.7","0.02","90","","92.09","0.03","90","","2343","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 N2 O4 S2 -","- C21 H28 Cl2 N2 O4 S2 -","- C84 H112 Cl8 N8 O16 S8 -","4","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54184","CuKα","","0.0429","0.0395","","","0.1016","0.1043","","","","","","1.008","","","","has coordinates","222405","2020-10-21","18:00:00",""
"4033831","11.1529","0.0009","7.5017","0.0004","23.3606","0.0014","90","","103.719","0.006","90","","1898.7","0.2","272","3","272","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl I N4 O2 -","- C18 H16 Cl I N4 O2 -","- C72 H64 Cl4 I4 N16 O8 -","4","1","","Wu, Danhua; Cui, Shuang-Shuang; Lin, Yajun; Li, Lin; Yu, Wei","Visible Light-Driven Azidation/Difunctionalization of Vinyl Arenes with Azidobenziodoxole under Copper Catalysis.","The Journal of organic chemistry","2019","84","17","10978","10989","10.1021/acs.joc.9b01569","","x-ray","0.71073","MoKα","","0.0777","0.0457","","","0.0735","0.0906","","","","","","1.031","","","","has coordinates","222406","2020-10-21","18:00:00",""
"4033832","7.3105","0.0006","19.3271","0.0015","15.1127","0.001","90","","90","","90","","2135.3","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0797","0.0558","","","0.1451","0.1565","","","","","","1.152","","","","has coordinates","222407","2020-10-21","18:00:00",""
"4033833","8.2181","0.0007","18.9531","0.0017","12.315","0.0011","90","","97.258","0.004","90","","1902.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0465","0.0361","","","0.0875","0.0972","","","","","","1.042","","","","has coordinates","222408","2020-10-21","18:00:00",""
"4033834","9.9108","0.0006","23.4525","0.0013","7.862","0.0005","90","","90.494","0.006","90","","1827.32","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","Hanchate, Vinayak; Kumar, Anil; Prabhu, Kandikere Ramaiah","Synthesis of Furanone-Fused 1,2-Benzothiazine by Rh(III)-Catalyzed C-H Activation: Regioselective Oxidative Annulation Leading to in Situ Lactonization in One Pot.","The Journal of organic chemistry","2019","84","17","11335","11342","10.1021/acs.joc.9b01899","","","0.71073","MoKα","","0.0954","0.0631","","","0.1432","0.1676","","","","","","1.044","","","","has coordinates","222410","2020-10-21","18:00:00",""
"4033835","9.6064","0.001","14.2833","0.0014","28.396","0.003","90","","95.5588","0.0019","90","","3877.9","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Cl6 N3 O2 -","- C39 H35 Cl6 N3 O2 -","- C156 H140 Cl24 N12 O8 -","4","1","","Janatian Ghazvini, Helya; Müller, Thomas J J; Rominger, Frank; Balalaie, Saeed","Highly Substituted Medium-Sized Ring-Fused Azocinoquinoline Scaffolds by Post-Ugi-4CR Reductive Carbopalladation Cyclization.","The Journal of organic chemistry","2019","84","17","10740","10748","10.1021/acs.joc.9b01269","","","0.71073","MoKα","","0.1072","0.0512","","","0.0991","0.1215","","","","","","1.012","","","","has coordinates","222411","2020-10-21","18:00:00",""
"4033836","10.439","0.002","15.438","0.004","15.996","0.004","82.84","0.006","80.342","0.006","86.328","0.006","2519.1","1","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H24 S -","- C38 H24 S -","- C152 H96 S4 -","4","2","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0586","0.0414","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033837","7.9822","0.0007","11.814","0.0009","13.1933","0.0015","94.717","0.003","97.068","0.003","98.978","0.002","1213","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H16 F4 S -","- C36 H16 F4 S -","- C72 H32 F8 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0745","0.0494","","","0.1231","0.1474","","","","","","1.017","","","","has coordinates","222413","2020-10-21","18:00:00",""
"4033838","8.0086","0.0004","10.7969","0.0006","13.8874","0.0008","96.808","0.002","92.418","0.002","104.746","0.002","1149.8","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 F2 S -","- C36 H18 F2 S -","- C72 H36 F4 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0427","0.0358","","","0.0911","0.096","","","","","","1.033","","","","has coordinates","222414","2020-10-21","18:00:00",""
"4033839","8.1373","0.0013","11.352","0.002","14.302","0.002","81.158","0.005","89.842","0.005","73.439","0.004","1250.1","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 Cl2 S -","- C36 H18 Cl2 S -","- C72 H36 Cl4 S2 -","2","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.1534","0.0894","","","0.1619","0.1872","","","","","","1.064","","","","has coordinates","222415","2020-10-21","18:00:00",""
"4033840","12.9908","0.0009","8.3804","0.0006","21.0991","0.0015","90","","90.996","0.002","90","","2296.7","0.3","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 S -","- C36 H20 S -","- C144 H80 S4 -","4","1","","Venkateswarlu, Samala; Prakoso, Suhendro Purbo; Kumar, Sushil; Kuo, Ming-Yu; Tao, Yu-Tai","Benzophenanthrothiophenes: Syntheses, Crystal Structures, and Properties.","The Journal of organic chemistry","2019","84","17","10990","10998","10.1021/acs.joc.9b01581","","","0.71073","MoKα","","0.0651","0.0445","","","0.1018","0.1131","","","","","","1.017","","","","has coordinates","222416","2020-10-21","18:00:00",""
"4033841","7.6318","0.0013","11.923","0.002","23.114","0.004","90","","90","","90","","2103.2","0.6","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","2","","Caleffi, Guilherme S.; Larrañaga, Olatz; Ferrándiz-Saperas, Marcos; Costa, Paulo R. R.; Nájera, Carmen; de Cózar, Abel; Cossío, Fernando P; Sansano, José M","Switching Diastereoselectivity in Catalytic Enantioselective (3+2) Cycloadditions of Azomethine Ylides Promoted by Metal Salts and Privileged Segphos-Derived Ligands.","The Journal of organic chemistry","2019","84","17","10593","10605","10.1021/acs.joc.9b00267","","","0.71073","MoKα","","0.1148","0.0544","","","0.0849","0.1044","","","","","","0.957","","","","has coordinates","222417","2020-10-21","18:00:00",""
"4033842","8.4944","0.0009","8.9647","0.001","32.731","0.004","88.303","0.004","83.461","0.004","79.038","0.004","2431","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 O2 P -","- C31 H27 O2 P -","- C93 H81 O6 P3 -","3","3","","Jin, Shengnan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","The Silver-Promoted Phosphonation/Alkynylation of Alkene Proceeding with Radical 1,2-Alkynyl Migration.","The Journal of organic chemistry","2019","84","17","11177","11185","10.1021/acs.joc.9b01088","","","1.34139","GaKα","","0.1561","0.1098","","","0.2596","0.2904","","","","","","1.236","","","","has coordinates","222418","2020-10-21","18:00:00",""
"4033843","20.3439","0.0004","8.323","0.0002","22.9542","0.0005","90","","90","","90","","3886.66","0.15","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C192 H160 O48 -","8","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0434","0.0378","","","0.094","0.1","","","","","","1.075","","","","has coordinates","222419","2020-10-21","18:00:00",""
"4033844","16.8387","0.0004","6.78","0.0002","15.4079","0.0004","90","","106.205","0.003","90","","1689.18","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O5 -","- C22 H18 O5 -","- C88 H72 O20 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0557","0.046","","","0.1211","0.1291","","","","","","1.077","","","","has coordinates","222420","2020-10-21","18:00:00",""
"4033845","20.7497","0.0005","9.0408","0.0002","10.2972","0.0003","90","","99.14","0.003","90","","1907.17","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0476","0.0383","","","0.0939","0.1007","","","","","","1.027","","","","has coordinates","222421","2020-10-21","18:00:00",""
"4033846","8.1027","0.0001","27.9899","0.0005","7.5507","0.0001","90","","101.48","0.002","90","","1678.19","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0505","0.0416","","","0.0958","0.1074","","","","","","1.074","","","","has coordinates","222422","2020-10-21","18:00:00",""
"4033847","14.0881","0.0002","7.8859","0.0001","35.7414","0.0004","90","","90","","90","","3970.77","0.09","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O7 -","- C24 H22 O7 -","- C192 H176 O56 -","8","2","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.077","0.0786","","","","","","1.021","","","","has coordinates","222423","2020-10-21","18:00:00",""
"4033848","10.0551","0.0018","10.1464","0.0018","14.205","0.002","69.217","0.007","78.249","0.007","68.834","0.007","1258.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C54 H56 N8 O8 -","2","1","","Gallardo-Fuentes, Sebastián; Lezana, Nicolás; Lühr, Susan; Galdámez, Antonio; Vilches-Herrera, Marcelo","Influence of Non-Covalent Interactions in the <i>Exo</i>- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT Calculations.","The Journal of organic chemistry","2019","84","17","10825","10831","10.1021/acs.joc.9b01390","","","0.71073","MoKα","","0.0843","0.0614","","","0.1616","0.1815","","","","","","1.037","","","","has coordinates","222424","2020-10-21","18:00:00",""
"4033849","10.1338","0.0011","10.2076","0.001","10.6911","0.0012","96.723","0.005","113.639","0.005","93.417","0.005","999.22","0.19","293","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C42 H50 N6 O4 -","2","1","","Gallardo-Fuentes, Sebastián; Lezana, Nicolás; Lühr, Susan; Galdámez, Antonio; Vilches-Herrera, Marcelo","Influence of Non-Covalent Interactions in the <i>Exo</i>- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT Calculations.","The Journal of organic chemistry","2019","84","17","10825","10831","10.1021/acs.joc.9b01390","","","0.71073","MoKα","","0.0643","0.046","","","0.1074","0.1207","","","","","","1.015","","","","has coordinates","222426","2020-10-21","18:00:00",""
"4033850","19.4211","0.0006","5.90419","0.00018","16.3745","0.0005","90","","91.651","0.003","90","","1876.82","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 S3 -","- C18 H21 N O2 S3 -","- C72 H84 N4 O8 S12 -","4","1","","Lai, Miao; Wu, Zhiyong; Li, Shi-Jun; Wei, Donghui; Zhao, Mingqin","Regioselective Synthesis of Sulfonyl-Containing Benzyl Dithiocarbamates through Copper-Catalyzed Thiosulfonylation of Styrenes.","The Journal of organic chemistry","2019","84","17","11135","11149","10.1021/acs.joc.9b01829","","x-ray","1.54184","CuKα","","0.0586","0.0473","","","0.1316","0.147","","","","","","1.033","","","","has coordinates","222427","2020-10-21","18:00:00",""
"4033851","7.4961","0.0002","7.4595","0.0002","13.2851","0.0003","90","","104.771","0.001","90","","718.32","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0326","0.0326","","","0.0854","0.0855","","","","","","1.004","","","","has coordinates","222428","2020-10-21","18:00:00",""
"4033852","13.2222","0.0003","14.2829","0.0004","17.1194","0.0004","90","","90","","90","","3233.02","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0286","0.0285","","","0.0754","0.0755","","","","","","1.096","","","","has coordinates","222429","2020-10-21","18:00:00",""
"4033853","14.334","0.004","12.401","0.003","12.344","0.004","90","","105.26","0.003","90","","2116.9","1","273","","273","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 Pt S Si -","- C22 H23 N O2 Pt S Si -","- C88 H92 N4 O8 Pt4 S4 Si4 -","4","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0421","0.0391","","","0.0896","0.0911","","","","","","1.132","","","","has coordinates","222430","2020-10-21","18:00:00",""
"4033854","8.711","0.003","13.404","0.004","12.174","0.004","90","","106.607","0.005","90","","1362.2","0.8","273","","273","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H31 N O3 Pt S Si -","- C30 H31 N O3 Pt S Si -","- C60 H62 N2 O6 Pt2 S2 Si2 -","2","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0247","0.0231","","","0.0509","0.0519","","","","","","1.036","","","","has coordinates","222431","2020-10-21","18:00:00",""
"4033855","13.706","0.01","12.365","0.008","12.403","0.009","90","","105.277","0.008","90","","2028","2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 Pt S -","- C23 H23 N O2 Pt S -","- C92 H92 N4 O8 Pt4 S4 -","4","1","","Usuki, Tsukasa; Uchida, Hikaru; Omoto, Kenichiro; Yamanoi, Yoshinori; Yamada, Ayano; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Enhancement of the Photofunction of Phosphorescent Pt(II) Cyclometalated Complexes Driven by Substituents: Solid-State Luminescence and Circularly Polarized Luminescence.","The Journal of organic chemistry","2019","84","17","10749","10756","10.1021/acs.joc.9b01285","","","0.71075","MoKα","","0.0629","0.0527","","","0.1114","0.1184","","","","","","1.072","","","","has coordinates","222432","2020-10-21","18:00:00",""
"4033856","15.6307","0.0001","15.6307","0.0001","12.5351","0.0001","90","","90","","120","","2652.26","0.03","100","0.1","100","0.1","","","","","","","","3","P 65","P 65","170","","2a-hydroxy-10e-methyl-1a,2,2a,3,4,4a,4b,5,6,9,10,10c,10d,10e-tetradecahydrocyclobuta[3,4]cyclopenta[1,7]indeno[5,6-a]naphthalen-8(1H)-one hydrate","","- C21 H27 O2.5 -","- C21 H27 O2.5 -","- C126 H162 O15 -","6","1","","Pflug, Nicholas C.; Patterson, Eric V.; Martinović-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H.","Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment.","The Journal of organic chemistry","2019","84","17","11366","11371","10.1021/acs.joc.9b02070","","","1.54184","CuKα","","0.0352","0.0349","","","0.0945","0.0948","","","","","","1.052","","","","has coordinates,has disorder","222433","2020-10-21","18:00:00",""
"4033857","15.8728","0.0005","9.0055","0.0003","13.384","0.0005","90","","95.57","0.003","90","","1904.11","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Yang, Wen; Chen, Yu; Yao, Yongqi; Yang, Xin; Lin, Qifu; Yang, Dingqiao","ICl/AgNO<sub>3</sub> Co-Catalyzed Radical Oxidation of Diaryl- and Alkylarylalkynes into 1,2-Diketones.","The Journal of organic chemistry","2019","84","17","11080","11090","10.1021/acs.joc.9b01667","","x-ray","1.54184","CuKα","","0.052","0.0419","","","0.1059","0.1147","","","","","","1.142","","","","has coordinates","222434","2020-10-21","18:00:00",""
"4033858","8.0294","0.0004","12.7216","0.0006","16.3848","0.001","108.971","0.005","90.502","0.004","107.466","0.004","1499.25","0.15","106.6","","106.6","","","","","","","","","3","P 1","P 1","1","","","","- C33 H49 O4 -","- C33 H49 O4 -","- C66 H98 O8 -","2","2","","Liu, Tingting; Wu, Haibo; Jiang, Hongyun; Zhang, Lan; Zhang, Yanning; Mao, Liangang","Echingridimer A, an Oxaspiro Dimeric Sesquiterpenoid with a 6/6/5/6/6 Fused Ring System from <i>Echinops grijsii</i> and Aphicidal Activity Evaluation.","The Journal of organic chemistry","2019","84","17","10757","10763","10.1021/acs.joc.9b01212","","","1.5418","CuKα","","0.0712","0.0566","","","0.1349","0.1482","","","","","","1.023","","","","has coordinates,has disorder","222435","2020-10-21","18:00:00",""
"4033859","13.2992","0.0009","9.3014","0.0006","11.1624","0.0007","90","","107.772","0.003","90","","1314.91","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N6 O2 S -","- C11 H12 N6 O2 S -","- C44 H48 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0604","0.0375","","","0.0877","0.096","","","","","","1.019","","","","has coordinates","222436","2020-10-21","18:00:00",""
"4033860","14.014","0.0018","17.049","0.002","4.9969","0.0005","90","","90","","90","","1193.9","0.2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C4 H4 N6 -","- C4 H4 N6 -","- C32 H32 N48 -","8","0.5","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0589","0.0354","","","0.0725","0.0809","","","","","","1.015","","","","has coordinates","222437","2020-10-21","18:00:00",""
"4033861","5.5409","0.0006","8.9312","0.0011","10.2919","0.0013","90","","93.877","0.005","90","","508.15","0.11","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.049","0.0332","","","0.0641","0.0694","","","","","","1.049","","","","has coordinates","222438","2020-10-21","18:00:00",""
"4033862","5.9826","0.0005","10.7112","0.0011","27.094","0.003","90","","90","","90","","1736.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N6 O2 S -","- C17 H16 N6 O2 S -","- C68 H64 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0819","0.0432","","","0.0729","0.0824","","","","","","1.036","","","","has coordinates","222439","2020-10-21","18:00:00",""
"4033863","10.1158","0.0004","17.6903","0.0006","10.7433","0.0004","90","","117.075","0.001","90","","1711.84","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhu, Jia-Nan; Wang, Wen-Kang; Zheng, Jian; Lin, Hao-Peng; Deng, Yun-Xia; Zhao, Sheng-Yin","Iodine-Catalyzed Regioselective Oxidative Cyclization of Aldehyde Hydrazones with Electron-Deficient Olefins for the Synthesis of Mefenpyr-Diethyl.","The Journal of organic chemistry","2019","84","17","11032","11041","10.1021/acs.joc.9b01499","","","0.71073","MoKα","","0.0638","0.0534","","","0.1441","0.1552","","","","","","1.046","","","","has coordinates","222440","2020-10-21","18:00:00",""
"4033864","11.5493","0.0003","14.4808","0.0004","15.7452","0.0004","90","","90","","90","","2633.28","0.12","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N O2 -","- C35 H31 N O2 -","- C140 H124 N4 O8 -","4","1","","Mao, Jia; Zhang, Hao; Ding, Xiang-Feng; Luo, Xiaoyan; Deng, Wei-Ping","Synergistic Catalysis for Asymmetric [3 + 2] Cycloadditions of 2-Indolylmethanols with <i>α,β</i>-Unsaturated Aldehydes.","The Journal of organic chemistry","2019","84","17","11186","11194","10.1021/acs.joc.9b01234","","","1.34139","GaKα","","0.0453","0.0431","","","0.1077","0.1096","","","","","","1.034","","","","has coordinates","222441","2020-10-21","18:00:00",""
"4033865","18.76631","0.00012","14.88559","0.00011","7.88336","0.00007","90","","90","","90","","2202.2","0.03","150","","150","","","","","","","","from U of Wollongong","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl N2 O3 -","- C27 H21 Cl N2 O3 -","- C108 H84 Cl4 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0331","0.0329","","0.0897","0.0895","0.0897","","","","","","1.0061","","","","has coordinates","222442","2020-10-21","18:00:00",""
"4033866","7.6361","0.0002","13.715","0.0003","22.4168","0.0005","90","","98.156","0.002","90","","2323.95","0.1","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0751","0.0738","","0.1961","0.1959","0.1961","","","","","","0.9998","","","","has coordinates","222443","2020-10-21","18:00:00",""
"4033867","9.4271","0.0001","10.0632","0.0001","23.0963","0.0002","90","","101.149","0.0011","90","","2149.72","0.04","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0411","0.0372","","0.0922","0.0892","0.0922","","","","","","1.0018","","","","has coordinates","222444","2020-10-21","18:00:00",""
"4033868","9.4461","0.0001","10.2612","0.0001","23.0912","0.0002","90","","100.49","0.0008","90","","2200.78","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0376","0.0362","","0.0895","0.0882","0.0895","","","","","","1.0004","","","","has coordinates","222445","2020-10-21","18:00:00",""
"4033869","12.8492","0.0007","23.7824","0.0012","8.4063","0.0004","90","","90","","90","","2568.8","0.2","299","2","299.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N3 O3 -","- C30 H31 N3 O3 -","- C120 H124 N12 O12 -","4","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0564","0.051","","","0.1398","0.1439","","","","","","1.07","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033870","8.802","0.0005","11.259","0.0006","15.7919","0.0008","90","","95.669","0.002","90","","1557.35","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H38 N4 O4 -","- C37 H38 N4 O4 -","- C74 H76 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.072","0.0449","","","0.1039","0.1164","","","","","","1.03","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033871","8.9528","0.0011","11.419","0.003","15.863","0.002","90","","93.945","0.012","90","","1617.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N4 O4 -","- C38 H40 N4 O4 -","- C76 H80 N8 O8 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0513","0.042","","","0.1052","0.1116","","","","","","1.015","","","","has coordinates,has disorder","222446","2020-10-21","18:00:00",""
"4033872","10.962","0.004","19.047","0.005","12.85","0.004","90","","97.523","0.017","90","","2659.9","1.5","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H66 N6 O6 -","- C60 H66 N6 O6 -","- C120 H132 N12 O12 -","2","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0371","0.0347","","","0.09","0.0919","","","","","","1.024","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033873","20.141","0.003","20.141","0.003","10.316","0.003","90","","90","","90","","4184.8","1.5","296","2","296","2","","","","","","","","7","P 4","P 4","75","","","","- C161 H181.5 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","- C161 H176 F12 N16.5 Na2 O18 P2 -","1","0.25","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0577","0.0556","","","0.1679","0.1707","","","","","","1.052","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033874","12.3004","0.0005","26.5371","0.0011","7.3874","0.0003","90","","107.915","0.001","90","","2294.45","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H16 F3 O4 -","- C31 H16 F3 O4 -","- C124 H64 F12 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0635","0.0497","","","0.1086","0.1146","","","","","","1.044","","","","has coordinates","222447","2020-10-21","18:00:00",""
"4033875","10.2558","0.0006","6.9979","0.0004","25.3728","0.0014","90","","95.701","0.002","90","","1811.98","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 O4 -","- C58 H32 O4 -","- C116 H64 O8 -","2","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.1059","0.0599","","","0.1359","0.1569","","","","","","1.035","","","","has coordinates","222448","2020-10-21","18:00:00",""
"4033876","11.4487","0.001","7.2437","0.0006","22.218","0.002","90","","95.522","0.003","90","","1834","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.1848","0.0692","","","0.0997","0.1253","","","","","","0.992","","","","has coordinates","222449","2020-10-21","18:00:00",""
"4033877","12.278","0.003","10.77","0.002","15.154","0.004","90","","111.644","0.008","90","","1862.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","1","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.0977","0.0563","","","0.1483","0.1743","","","","","","1.076","","","","has coordinates","222450","2020-10-21","18:00:00",""
"4033878","14.3827","0.0011","9.2545","0.0007","13.9386","0.0011","90","","90","","90","","1855.3","0.2","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 O4 -","- C28 H14 O4 -","- C112 H56 O16 -","4","0.5","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.119","0.0633","","","0.1335","0.1572","","","","","","1.029","","","","has coordinates","222451","2020-10-21","18:00:00",""
"4033879","12.1609","0.001","9.9347","0.0008","34.851","0.003","90","","96.334","0.002","90","","4184.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H16.5 Cl1.5 O2 -","- C29.5 H16.5 Cl1.5 O2 -","- C236 H132 Cl12 O16 -","8","2","","Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha","Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties.","The Journal of organic chemistry","2019","84","17","10658","10668","10.1021/acs.joc.9b01126","","","0.71073","MoKα","","0.2358","0.1441","","","0.3355","0.3741","","","","","","1.12","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033880","17.8922","0.0002","4.8496","0.0001","19.703","0.0003","90","","99.19","0.001","90","","1687.69","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C80 H68 N12 O16 -","4","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.046","0.0419","","","0.1117","0.1156","","","","","","1.047","","","","has coordinates","222453","2020-10-21","18:00:00",""
"4033881","25.7343","0.001","7.6126","0.0002","27.7175","0.0008","90","","90","","90","","5430","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl N3 O3 -","- C28 H20 Cl N3 O3 -","- C224 H160 Cl8 N24 O24 -","8","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0841","0.0648","","","0.1528","0.1637","","","","","","1.054","","","","has coordinates","222454","2020-10-21","18:00:00",""
"4033882","10.1197","0.0001","10.5071","0.0001","21.9497","0.0002","93.92","0.001","95.141","0.001","106.474","0.001","2218.3","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C104 H84 Br4 N8 O8 -","4","2","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","","1.54184","CuKα","","0.043","0.0399","","","0.1127","0.1148","","","","","","1.15","","","","has coordinates,has disorder","222455","2020-10-21","18:00:00",""
"4033883","9.214","0.0002","9.26","0.0001","9.6732","0.0002","109.196","0.002","95.169","0.002","96.044","0.001","768.25","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0395","0.0389","","","0.1044","0.1051","","","","","","1.041","","","","has coordinates","222456","2020-10-21","18:00:00",""
"4033884","8.5792","0.0001","9.5408","0.0001","23.8992","0.0003","90","","90","","90","","1956.21","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","","Tanaka, Kenta; Omata, Daichi; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Organophotoredox-Catalyzed Intermolecular Oxa-[4+2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","84","17","10669","10678","10.1021/acs.joc.9b01156","","x-ray","1.54184","CuKα","","0.0522","0.0492","","","0.1355","0.1388","","","","","","1.047","","","","has coordinates","222457","2020-10-21","18:00:00",""
"4033885","5.8825","0.0007","7.6219","0.001","31.585","0.004","90","","92.41","0.005","90","","1414.9","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","","Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Shen, Kexin; Pan, Yuanjiang","Aerobic Copper-Catalyzed Synthesis of (<i>E</i>)-Vinyl Sulfones by Direct C-S Bond Oxidative Coupling.","The Journal of organic chemistry","2019","84","17","11210","11218","10.1021/acs.joc.9b01400","","","0.71073","MoKα","","0.0781","0.0723","","","0.193","0.1966","","","","","","1.219","","","","has coordinates","222458","2020-10-21","18:00:00",""
"4033886","9.605","0.008","10.338","0.009","13.999","0.012","102.399","0.018","94.702","0.017","106.263","0.018","1288.3","1.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 N O2 S -","- C32 N O2 S -","- C64 N2 O4 S2 -","2","1","","Qiao, Hong; Zhang, Shengjun; Li, Kangkang; Cao, Zhengqiang; Zeng, Fanlong","Palladium(II)/Lewis Acid Cocatalyzed Oxidative Annulation of 2-Alkenylanilines and Propargylic Esters: An Access to Benzo[<i>b</i>]azepines.","The Journal of organic chemistry","2019","84","17","10843","10851","10.1021/acs.joc.9b01406","","","0.71073","MoKα","","0.2187","0.0984","","","0.2557","0.3503","","","","","","0.934","","","","has coordinates","222459","2020-10-21","18:00:00",""
"4033887","6.2227","0.0012","13.638","0.003","17.947","0.004","78.429","0.006","89.29","0.006","88.54","0.006","1491.6","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H84 Br2 N2 O6 S2 -","- C62 H84 Br2 N2 O6 S2 -","- C62 H84 Br2 N2 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Helmin, Andrew J.; Wilcox, Wyatt D.; Severson, Sarah M.; Janzen, Daron E.","ProDOT-Assisted Isomerically Pure Indophenines.","The Journal of organic chemistry","2019","84","17","11253","11257","10.1021/acs.joc.9b01525","","","0.71075","MoKα","","0.147","0.0759","","","0.1568","0.186","","","","","","1.028","","","","has coordinates,has disorder","222462","2020-10-21","18:00:00",""
"4033888","5.4543","0.0001","7.6941","0.0002","34.3867","0.0008","90","","90.327","0.001","90","","1443.05","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Lin, Long; Zeng, Xiaojun; Xu, Bo","Synthesis of <i>Z</i>-Enamides through Heterogeneous Gold-Catalyzed Stereoselective Hydrogenation of Ynamides.","The Journal of organic chemistry","2019","84","17","11240","11246","10.1021/acs.joc.9b01450","","","0.71073","MoKα","","0.0389","0.0348","","","0.0948","0.0991","","","","","","1.072","","","","has coordinates","222463","2020-10-21","18:00:00",""
"4033889","13.1467","0.0009","6.1735","0.0004","15.7907","0.0011","90","","94.671","0.002","90","","1277.33","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Py-Ts-Me-Br","","","- C12 H12 Br N O2 S -","- C12 H12 Br N O2 S -","- C48 H48 Br4 N4 O8 S4 -","4","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0545","0.0315","","","0.0639","0.0707","","","","","","1.041","","","","has coordinates,has disorder","222464","2020-10-21","18:00:00",""
"4033890","6.3705","0.0003","16.0873","0.0007","25.9006","0.0011","90","","90","","90","","2654.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Py-Ts-Me-I","","","- C11.99 H11.96 I1.01 N O2 S -","- C11.9853 H11.9559 I1.0147 N O2 S -","- C95.8824 H95.6472 I8.1176 N8 O16 S8 -","8","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0625","0.045","","","0.0805","0.085","","","","","","1.218","","","","has coordinates,has disorder","222465","2020-10-21","18:00:00",""
"4033891","5.582","0.0002","10.6694","0.0003","40.2605","0.001","90","","90","","90","","2397.78","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O3 S -","- C29 H26 N2 O3 S -","- C116 H104 N8 O12 S4 -","4","1","","Dhanasekaran, Sivasankaran; Kannaujiya, Vinod K.; Biswas, Rayhan G.; Singh, Vinod K.","Enantioselective A<sup>3</sup>-Coupling Reaction Employing Chiral Cu<sup>I</sup>- <sup>i</sup>PrpyboxdiPh/ N-Boc-(l)-Proline Complex under Cooperative Catalysis: Application in the Synthesis of (Indol-2-yl)methanamines.","The Journal of organic chemistry","2019","84","6","3275","3292","10.1021/acs.joc.8b03225","","","0.71073","MoKα","","0.0856","0.0551","","","0.1021","0.1142","","","","","","1.002","","","","has coordinates","222466","2020-10-21","18:00:00",""
"4033892","10.7686","0.0003","6.6244","0.0002","15.1218","0.0005","90","","110.361","0.002","90","","1011.32","0.05","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Puriņš, Mikus; Mishnev, Anatoly; Turks, Ma Ris","Brønsted Acid Catalyzed 1,2-Silyl Shift in Propargyl Silanes: Synthesis of Silyl Dienes and Silyl Indenes.","The Journal of organic chemistry","2019","84","6","3595","3611","10.1021/acs.joc.8b02735","","","0.71073","MoKα","","0.0684","0.0472","","","0.084","0.092","","","","","","1.037","","","","has coordinates","222467","2020-10-21","18:00:00",""
"4033893","13.1063","0.0004","14.9181","0.0005","7.0214","0.0002","90","","97.3063","0.0012","90","","1361.69","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 F2 O -","- C18 H12 F2 O -","- C72 H48 F8 O4 -","4","2","","Bosmans, Vera; Poater, Jordi; Hammink, Roel; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Probing Through-Space Polar-π Interactions in 2,6-Diarylphenols.","The Journal of organic chemistry","2019","84","6","3632","3637","10.1021/acs.joc.8b03147","","","0.71073","MoKα","","0.0595","0.0423","","","0.1038","0.1109","","","","","","1.036","","","","has coordinates","222468","2020-10-21","18:00:00",""
"4033894","11.3799","0.001","7.7646","0.0008","20.862","0.002","90","","113.081","0.008","90","","1695.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Hoque, Injamam Ul; Chowdhury, Soumyadeep Roy; Maity, Soumitra","Photoredox-Catalyzed Intermolecular Radical Arylthiocyanation/Arylselenocyanation of Alkenes: Access to Aryl-Substituted Alkylthiocyanates/Alkylselenocyanates.","The Journal of organic chemistry","2019","84","6","3025","3035","10.1021/acs.joc.8b03155","","","0.71073","MoKα","","0.1298","0.0739","","","0.1674","0.1932","","","","","","1.036","","","","has coordinates","222469","2020-10-21","18:00:00",""
"4033895","15.6001","0.0016","7.2148","0.0007","12.1001","0.0012","90","","99.063","0.005","90","","1344.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Vbchem310_a","","","- C13 H13 N O3 S2 -","- C13 H13 N O3 S2 -","- C52 H52 N4 O12 S8 -","4","1","","Mahato, Sachinta; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath","Metal-Free Amidation Reactions of Terminal Alkynes with Benzenesulfonamide.","The Journal of organic chemistry","2019","84","6","3176","3183","10.1021/acs.joc.8b03065","","","0.71073","MoKα","","0.0776","0.062","","","0.1812","0.2067","","","","","","1.342","","","","has coordinates","222470","2020-10-21","18:00:00",""
"4033896","8.2223","0.0005","13.7606","0.0007","41.901","0.003","90","","92.92","0.006","90","","4734.7","0.5","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 O -","- C34 H30 O -","- C272 H240 O8 -","8","2","","Martínez-Abadía, Marta; Antonicelli, Gabriella; Saeki, Akinori; Melle-Franco, Manuel; Mateo-Alonso, Aurelio","Isolation and Characterization of the Unexpected 1- n-Octyloxyperopyrene: A Solution-Processable p-Type Organic Semiconductor.","The Journal of organic chemistry","2019","84","6","3270","3274","10.1021/acs.joc.8b03207","","x-ray","1.54184","CuKα","","0.1608","0.1194","","","0.3253","0.371","","","","","","1.166","","","","has coordinates","222471","2020-10-21","18:00:00",""
"4033897","9.2495","0.0005","15.2792","0.0008","34.4997","0.0017","90","","90","","90","","4875.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H69 Cl6 N O6 S3 -","- C41 H69 Cl6 N O6 S3 -","- C164 H276 Cl24 N4 O24 S12 -","4","1","","Ayer, Suraj K.; Roizen, J. L.","Sulfamate Esters Guide C(3)-Selective Xanthylation of Alkanes.","The Journal of organic chemistry","2019","84","6","3508","3523","10.1021/acs.joc.9b00105","","","0.71073","MoKα","","0.0903","0.0782","","","0.2179","0.2252","","","","","","1.145","","","","has coordinates,has disorder","222472","2020-10-21","18:00:00",""
"4033898","11.0214","0.0008","17.6814","0.0012","8.6332","0.0005","90","","105.803","0.002","90","","1618.8","0.19","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F N2 O -","- C19 H19 F N2 O -","- C76 H76 F4 N8 O4 -","4","1","","Iida, Asumi; Matsuoka, Mizuki; Hasegawa, Hiroshi; Vanthuyne, Nicolas; Farran, Daniel; Roussel, Christian; Kitagawa, Osamu","N-C Axially Chiral Compounds with an ortho-Fluoro Substituent and Steric Discrimination between Hydrogen and Fluorine Atoms Based on a Diastereoselective Model Reaction.","The Journal of organic chemistry","2019","84","6","3169","3175","10.1021/acs.joc.8b03043","","","0.71073","MoKα","","0.0694","0.053","","","0.1524","0.1657","","","","","","1.132","","","","has coordinates,has disorder","222473","2020-10-21","18:00:00",""
"4033899","6.9296","0.0002","13.6851","0.0003","18.2162","0.0004","90","","90","","90","","1727.48","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wu, Guo-Jie; Zhang, Yuan-He; Tan, Dong-Xing; He, Long; Cao, Bao-Chen; He, Yu-Peng; Han, Fu-She","Synthetic Studies on Enantioselective Total Synthesis of Cyathane Diterpenoids: Cyrneines A and B, Glaucopine C, and (+)-Allocyathin B<sub>2</sub>.","The Journal of organic chemistry","2019","84","6","3223","3238","10.1021/acs.joc.8b03138","","","1.54178","CuKα","","0.0366","0.0353","","","0.0921","0.0936","","","","","","1.068","","","","has coordinates","222474","2020-10-21","18:00:00",""
"4033900","9.0771","0.0002","10.5122","0.0003","14.57","0.0004","90","","90","","90","","1390.27","0.06","303","2","303.38","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0385","0.0344","","","0.0838","0.0866","","","","","","1.072","","","","has coordinates","222476","2020-10-21","18:00:00",""
"4033901","13.5577","0.0005","14.5611","0.0005","6.8904","0.0002","90","","90","","90","","1360.27","0.08","304","2","303.95","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0358","0.0324","","","0.0765","0.079","","","","","","1.044","","","","has coordinates","222477","2020-10-21","18:00:00",""
"4033902","7.3786","0.0002","11.8974","0.0003","8.0186","0.0002","90","","96.195","0.001","90","","699.81","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Lu, Bin; Wu, Xiaoyu; Li, Chengyang; Ding, Guangni; Li, Wanfang; Xie, Xiaomin; Zhang, Zhaoguo","Highly Diastereo- and Enantioselective Access to syn-α-Amido β-Hydroxy Esters via Ruthenium-Catalyzed Dynamic Kinetic Resolution-Asymmetric Hydrogenation.","The Journal of organic chemistry","2019","84","6","3201","3213","10.1021/acs.joc.8b03106","","","1.54178","CuKα","","0.0226","0.0225","","","0.0617","0.0618","","","","","","1.044","","","","has coordinates","222478","2020-10-21","18:00:00",""
"4033903","6.9218","0.0001","10.1926","0.0001","13.0782","0.0002","90","","90","","90","","922.68","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 F2 N O3 -","- C8 H11 F2 N O3 -","- C32 H44 F8 N4 O12 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","0.71073","MoKα","","0.0329","0.0315","","","0.0814","0.0829","","","","","","1.056","","","","has coordinates","222479","2020-10-21","18:00:00",""
"4033904","7.42","0.0002","13.6927","0.0003","24.5834","0.0005","90","","90","","90","","2497.67","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0382","0.0373","","","0.0914","0.092","","","","","","1.095","","","","has coordinates","222480","2020-10-21","18:00:00",""
"4033905","8.8181","0.0005","10.3879","0.0006","18.1295","0.001","90","","90","","90","","1660.69","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F2 N O4 -","- C17 H21 F2 N O4 -","- C68 H84 F8 N4 O16 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0321","0.0302","","","0.0721","0.0733","","","","","","1.034","","","","has coordinates","222481","2020-10-21","18:00:00",""
"4033906","8.6279","0.0001","26.7808","0.0005","9.8839","0.0002","90","","110.472","0.001","90","","2139.55","0.07","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N4 O11 -","- C22 H20 N4 O11 -","- C88 H80 N16 O44 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0749","0.0438","","0.1052","0.0938","0.1052","","","","","","0.9482","","","","has coordinates","222482","2020-10-21","18:00:00",""
"4033907","7.0347","0.0002","9.4014","0.0002","10.0921","0.0003","88.6579","0.0018","77.6969","0.0014","69.8404","0.0018","611.26","0.03","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0464","0.0378","","0.103","0.098","0.103","","","","","","0.9826","","","","has coordinates","222483","2020-10-21","18:00:00",""
"4033908","9.5083","0.0004","10.2316","0.0003","13.3051","0.0006","110.082","0.002","97.268","0.002","100.494","0.002","1170.04","0.08","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C25 H27 N O7 S -","- C25 H27 N O7 S -","- C50 H54 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0656","0.0522","","0.1459","0.1351","0.1459","","","","","","0.9931","","","","has coordinates","222484","2020-10-21","18:00:00",""
"4033909","6.9388","0.0001","13.9009","0.0002","23.9512","0.0004","90","","90","","90","","2310.23","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O12 -","- C23 H24 N4 O12 -","- C92 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0373","0.0316","","0.0784","0.076","0.0784","","","","","","1.0022","","","","has coordinates","222485","2020-10-21","18:00:00",""
"4033910","10.8031","0.0002","7.9845","0.0001","25.7942","0.0004","90","","90.498","0.0007","90","","2224.86","0.06","200","","200","","","","","","","","local","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Br N O Si -","- C21 H32 Br N O Si -","- C84 H128 Br4 N4 O4 Si4 -","4","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0571","0.0367","","0.0678","0.0626","0.0678","","","","","","0.9702","","","","has coordinates","222486","2020-10-21","18:00:00",""
"4033911","9.9367","0.0003","9.0913","0.0002","13.3553","0.0005","90","","109.642","0.0015","90","","1136.28","0.06","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0506","0.0439","","0.1155","0.1104","0.1155","","","","","","0.9915","","","","has coordinates","222487","2020-10-21","18:00:00",""
"4033912","8.2756","0.0002","11.1263","0.0004","14.685","0.0005","90","","90","","90","","1352.15","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N -","- C15 H18 Br N -","- C60 H72 Br4 N4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0366","0.0286","","0.0636","0.0604","0.0636","","","","","","1.015","","","","has coordinates","222488","2020-10-21","18:00:00",""
"4033913","14.1046","0.0002","7.5282","0.0001","23.5058","0.0003","90","","98.4742","0.0009","90","","2468.65","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O12 -","- C24 H24 N4 O12 -","- C96 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.064","0.0431","","0.1098","0.1006","0.1098","","","","","","0.953","","","","has coordinates","222489","2020-10-21","18:00:00",""
"4033914","5.0292","0.0008","7.7369","0.0011","13.795","0.002","101.537","0.006","91.971","0.009","107.637","0.008","498.6","0.13","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.1109","0.0947","","0.2574","0.2388","0.2574","","","","","","0.9891","","","","has coordinates","222490","2020-10-21","18:00:00",""
"4033915","10.47","0.0001","20.6793","0.0003","22.5086","0.0004","90","","90","","90","","4873.39","0.12","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O8 S -","- C26 H27 N O8 S -","- C208 H216 N8 O64 S8 -","8","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.063","0.0417","","0.0905","0.0822","0.0905","","","","","","0.9746","","","","has coordinates","222491","2020-10-21","18:00:00",""
"4033916","9.9369","0.0002","9.0908","0.0002","13.3586","0.0003","90","","109.636","0.0012","90","","1136.56","0.04","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C24 H25 N O7 S -","- C24 H25 N O7 S -","- C48 H50 N2 O14 S2 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0369","0.033","","0.0843","0.0819","0.0843","","","","","","0.997","","","","has coordinates","222492","2020-10-21","18:00:00",""
"4033917","5.026","0.0003","7.73","0.0004","13.7908","0.0008","101.669","0.003","91.92","0.004","107.523","0.004","497.8","0.05","200","","200","","","","","","","","local","6","P 1","P 1","1","","","","- C8 H9 Br F3 N O -","- C8 H9 Br F3 N O -","- C16 H18 Br2 F6 N2 O2 -","2","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0626","0.0537","","0.1507","0.1403","0.1507","","","","","","0.986","","","","has coordinates","222493","2020-10-21","18:00:00",""
"4033918","9.8432","0.0008","10.4209","0.0009","14.3197","0.0012","83.441","0.005","74.668","0.004","84.081","0.005","1403.2","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O5 S -","- C31 H24 N2 O5 S -","- C62 H48 N4 O10 S2 -","2","1","","Wang, Cong-Shuai; Li, Tian-Zhen; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4 + 1] Cyclization of Benzofuran-Derived Azadienes with 3-Chlorooxindoles.","The Journal of organic chemistry","2019","84","6","3214","3222","10.1021/acs.joc.8b03004","","","1.34139","GaKα","","0.0515","0.0439","","","0.1074","0.1122","","","","","","1.025","","","","has coordinates","222494","2020-10-21","18:00:00",""
"4033919","13.2965","0.0018","13.779","0.0019","14.0142","0.0019","80.486","0.005","67.315","0.005","81.251","0.005","2325.3","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’,5’-diphenylspiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C27 H23 Br N2 O5 -","- C27 H23 Br N2 O5 -","- C108 H92 Br4 N8 O20 -","4","2","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0477","0.0334","","","0.0862","0.0905","","","","","","1.041","","","","has coordinates","222495","2020-10-21","18:00:00",""
"4033920","9.3745","0.0004","13.6791","0.0005","19.4916","0.0007","90","","90","","90","","2499.5","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (3S,5’S)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C112 H100 Br4 N8 O20 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0539","0.0384","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates","222496","2020-10-21","18:00:00",""
"4033921","10.3368","0.0003","11.0441","0.0003","11.4495","0.0003","92.369","0.001","100.655","0.001","107.446","0.001","1218.91","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C56 H50 Br2 N4 O10 -","2","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0606","0.0406","","","0.0817","0.0893","","","","","","1.03","","","","has coordinates","222497","2020-10-21","18:00:00",""
"4033922","11.1221","0.0002","16.7305","0.0003","16.8112","0.0003","63.004","0.001","89.656","0.001","82.779","0.001","2760.62","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(3RS,4’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-4’,3’’-indoline]-2,2’’-dione","","- C33 H31 N3 O3 S -","- C33 H31 N3 O3 S -","- C132 H124 N12 O12 S4 -","4","2","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","","0.71073","MoKα","","0.0624","0.0452","","","0.1157","0.1272","","","","","","1.027","","","","has coordinates","222498","2020-10-21","18:00:00",""
"4033923","10.2975","0.0006","10.7029","0.0006","11.6095","0.0006","107.177","0.002","97.379","0.002","100.333","0.002","1180.01","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","Dimethyl (3RS,5’RS)-2-oxo-1’-phenyl-5’-(p-tolyl)spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H26 N2 O5 -","- C28 H26 N2 O5 -","- C56 H52 N4 O10 -","2","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0568","0.0419","","","0.1115","0.1181","","","","","","1.061","","","","has coordinates","222499","2020-10-21","18:00:00",""
"4033924","9.9951","0.0008","33.343","0.003","10.4541","0.0008","90","","113.228","0.001","90","","3201.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3RS,3’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-3’,3’’-indoline]-2,2’’-dione","","- C35 H37 N3 O4 S2 -","- C35 H37 N3 O4 S2 -","- C140 H148 N12 O16 S8 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","","0.71073","MoKα","","0.0476","0.043","","","0.1126","0.116","","","","","","1.043","","","","has coordinates","222500","2020-10-21","18:00:00",""
"4033925","14.8333","0.00013","33.6758","0.0003","7.13456","0.00007","90","","98.9993","0.0009","90","","3520.01","0.06","200","3","200","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Cl N2 O5 Pd -","- C35 H39 Cl N2 O5 Pd -","- C140 H156 Cl4 N8 O20 Pd4 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","1.54184","CuKα","","0.0569","0.0533","","","0.1424","0.1446","","","","","","1.076","","","","has coordinates,has disorder","222501","2020-10-21","18:00:00",""
"4033926","15.7195","0.0003","15.3316","0.0002","10.94788","0.00019","90","","92.1608","0.0015","90","","2636.62","0.08","100","3","100","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl3 N3 O4 Pd -","- C28 H20 Cl3 N3 O4 Pd -","- C112 H80 Cl12 N12 O16 Pd4 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","0.71073","MoKα","","0.0404","0.0336","","","0.0722","0.0755","","","","","","1.209","","","","has coordinates,has disorder","222502","2020-10-21","18:00:00",""
"4033927","14.6496","0.0003","8.8096","0.0002","16.5349","0.0003","90","","111.902","0.002","90","","1979.93","0.08","100","3","100","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O4 S2 -","- C22 H16 N2 O4 S2 -","- C88 H64 N8 O16 S8 -","4","1","","Galenko, Ekaterina E.; Novikov, Mikhail S.; Shakirova, Firuza M.; Shakirova, Julia R.; Kornyakov, Ilya V.; Bodunov, Vladimir A.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of 2,2'-Bipyridine Ligands: Symmetrical and Unsymmetrical 6,6'-Binicotinates, 2,2'-Bipyridine-5-carboxylates, and Their Metal Complexes.","The Journal of organic chemistry","2019","84","6","3524","3536","10.1021/acs.joc.9b00115","","x-ray","0.71073","MoKα","","0.0446","0.0364","","","0.0952","0.1011","","","","","","1.035","","","","has coordinates","222503","2020-10-21","18:00:00",""
"4033928","17.2486","0.0002","10.17867","0.00017","6.17147","0.00011","90","","90","","90","","1083.51","0.03","101.95","0.1","101.95","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","1-(4-nitrophenyl)-4-chloro-piperidine","1-(4-nitrophenyl)-4-chloro-piperidine","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C44 H52 Cl4 N8 O8 -","4","0.5","","Ebule, Rene; Mudshinge, Sagar; Nantz, Michael H.; Mashuta, Mark S.; Hammond, Gerald B.; Xu, Bo","A 5 + 1 Protic Acid Assisted Aza-Pummerer Approach for Synthesis of 4-Chloropiperidines from Homoallylic Amines.","The Journal of organic chemistry","2019","84","6","3249","3259","10.1021/acs.joc.8b03162","","","0.71073","MoKα","","0.0364","0.032","","","0.0722","0.0746","","","","","","1.042","","","","has coordinates","222504","2020-10-21","18:00:00",""
"4033929","13.95","0.004","11.207","0.003","15.265","0.005","90","","112.269","0.004","90","","2208.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Chen, Shanping; Jiang, Pingyu; Wang, Pu; Pei, Yong; Huang, Huawen; Xiao, Fuhong; Deng, Guo-Jun","Three-Component Cascade Synthesis of Carbazoles through [1s,6s] Sigmatropic Shift under Metal-Free Conditions.","The Journal of organic chemistry","2019","84","6","3121","3131","10.1021/acs.joc.8b02994","","","0.71073","MoKα","","0.121","0.0886","","","0.1387","0.1506","","","","","","1.231","","","","has coordinates","222505","2020-10-21","18:00:00",""
"4033930","26.475","0.0008","10.6566","0.0003","18.45","0.0006","90","","90","","90","","5205.4","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","NFL-T22","","- C41 H47 I3 O2 S12 -","- C41 H47 I3 O2 S12 -","- C164 H188 I12 O8 S48 -","4","1","","Fleck, Nico; Hett, Tobias; Brode, Jonas; Meyer, Andreas; Richert, Sabine; Schiemann, Olav","C-C Cross-Coupling Reactions of Trityl Radicals: Spin Density Delocalization, Exchange Coupling, and a Spin Label.","The Journal of organic chemistry","2019","84","6","3293","3303","10.1021/acs.joc.8b03229","","","0.71073","MoKα","","0.0789","0.0653","","","0.1403","0.1497","","","","","","1.027","","","","has coordinates","222506","2020-10-21","18:00:00",""
"4033931","10.4114","0.0005","7.6195","0.0002","16.5784","0.0007","90","","103.281","0.004","90","","1279.99","0.09","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Yang, Zhen; Jiang, Kun; Chen, Ying-Chun; Wei, Ye","Copper-Catalyzed Dihydroquinolinone Synthesis from Isocyanides and O-Benzoyl Hydroxylamines.","The Journal of organic chemistry","2019","84","6","3725","3734","10.1021/acs.joc.9b00262","","","0.71073","MoKα","","0.0816","0.0657","","","0.1748","0.193","","","","","","1.033","","","","has coordinates","222507","2020-10-21","18:00:00",""
"4033932","10.7766","0.0004","7.8221","0.0003","13.4995","0.0006","90","","94.552","0.004","90","","1134.36","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I O2 -","- C11 H8 Br I O2 -","- C44 H32 Br4 I4 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0381","0.0292","","","0.0606","0.0655","","","","","","1.061","","","","has coordinates","222508","2020-10-21","18:00:00",""
"4033933","10.6794","0.0005","7.5795","0.0003","13.4516","0.0006","90","","92.023","0.004","90","","1088.15","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br2 O2 -","- C11 H8 Br2 O2 -","- C44 H32 Br8 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0295","0.025","","","0.0667","0.0681","","","","","","1.046","","","","has coordinates","222510","2020-10-21","18:00:00",""
"4033934","10.7391","0.0004","7.356","0.0003","13.5262","0.0004","90","","90.473","0.003","90","","1068.49","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cl O2 -","- C11 H8 Br Cl O2 -","- C44 H32 Br4 Cl4 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.052","0.0536","","","","","","1.06","","","","has coordinates","222511","2020-10-21","18:00:00",""
"4033935","21.409","0.003","5.8925","0.0006","10.5126","0.0013","90","","98.052","0.012","90","","1313.1","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0976","0.0763","","","0.1872","0.2067","","","","","","1.083","","","","has coordinates","222512","2020-10-21","18:00:00",""
"4033936","6.7921","0.0004","24.5033","0.0012","10.1829","0.0004","90","","90","","90","","1694.73","0.15","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 Cl O3 -","- C9 H7 Cl O3 -","- C72 H56 Cl8 O24 -","8","2","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.063","0.0498","","","0.1118","0.1231","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033937","5.4376","0.0003","9.2746","0.0005","19.1403","0.0012","90","","97.111","0.006","90","","957.85","0.1","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.0502","0.0379","","","0.0872","0.0967","","","","","","1.056","","","","has coordinates","222514","2020-10-21","18:00:00",""
"4033938","5.5637","0.0004","16.8977","0.0013","19.6894","0.0016","90","","97.368","0.004","90","","1835.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0594","0.0458","","","0.1193","0.1288","","","","","","1.101","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033939","9.4459","0.0005","11.1306","0.0007","13.0768","0.0009","98.277","0.003","90.181","0.003","106.478","0.003","1303.27","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H27 N5 -","- C35 H27 N5 -","- C70 H54 N10 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0514","0.0374","","","0.0901","0.097","","","","","","1.048","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033940","9.9444","0.0005","30.8977","0.0016","10.1941","0.0005","90","","103.583","0.003","90","","3044.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N5 -","- C39 H35 N5 -","- C156 H140 N20 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0834","0.0542","","","0.1421","0.1599","","","","","","1.047","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033941","11.5095","0.0005","6.0108","0.0002","15.9991","0.0007","90","","109.073","0.001","90","","1046.08","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C60 H40 N8 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin","HOAc-Mediated Cyclocondensation of 2-Formylazaarenes and Cyclic Amines. Synthesis of Pyrrolo[1,2- a]azaarenes.","The Journal of organic chemistry","2019","84","6","3638","3646","10.1021/acs.joc.8b03148","","","0.71073","MoKα","","0.0486","0.0393","","","0.0983","0.1041","","","","","","1.046","","","","has coordinates","222515","2020-10-21","18:00:00",""
"4033942","8.1343","0.0004","11.9258","0.0006","18.2918","0.001","90","","90","","90","","1774.45","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C80 H52 Br4 N8 O24 -","4","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.036","0.0315","","","0.0689","0.071","","","","","","1.0493","","","","has coordinates","222516","2020-10-21","18:00:00",""
"4033943","6.90037","0.00013","7.8322","0.00017","16.9797","0.0004","82.7874","0.0018","85.8772","0.0017","79.2104","0.0017","893.21","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C40 H26 Br2 N4 O12 -","2","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.0325","0.029","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","222517","2020-10-21","18:00:00",""
"4033944","7.8843","0.0004","10.4889","0.0005","16.211","0.0009","80.468","0.004","87.624","0.004","73.089","0.005","1264.9","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Br O6 S -","- C30 H19 Br O6 S -","- C60 H38 Br2 O12 S2 -","2","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","","0.71073","MoKα","","0.0468","0.0383","","","0.0926","0.0987","","","","","","1.039","","","","has coordinates","222518","2020-10-21","18:00:00",""
"4033945","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C156 H162 -","- C156 H162 -","- C312 H324 -","2","0.5","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1069","0.0931","","","0.3243","0.339","","","","","","1.537","","","","has coordinates,has disorder","222519","2020-10-21","18:00:00",""
"4033946","16.57","0.003","42.93","0.009","57.47","0.012","90","","96.72","0.03","90","","40600","14","95","2","95","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C260 H270 -","- C260 H270 -","- C1040 H1080 -","4","2","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.75","synchrotron","","0.1421","0.0927","","","0.2568","0.3055","","","","","","0.968","","","","has coordinates,has disorder","222520","2020-10-21","18:00:00",""
"4033947","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- C208 H216 -","- C194.352 H185.292 -","- C777.408 H741.168 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.0982","0.0893","","","0.2758","0.287","","","","","","1.026","","","","has coordinates,has disorder","222521","2020-10-21","18:00:00",""
"4033948","18.83","0.004","32.96","0.007","18.84","0.004","90","","119.64","0.03","90","","10163","5","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C180 H210 Cl24 -","- C179.998 H209.984 Cl23.998 -","- C359.996 H419.968 Cl47.996 -","2","0.5","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1496","0.1387","","","0.3864","0.404","","","","","","1.898","","","","has coordinates,has disorder","222522","2020-10-21","18:00:00",""
"4033949","30.56","0.006","35.21","0.007","22.18","0.004","90","","90","","90","","23866","8","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C218 H226 Cl30 -","- C218 H226 Cl30 -","- C872 H904 Cl120 -","4","0.25","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.9","synchrotron","","0.1527","0.1405","","","0.4142","0.4283","","","","","","1.896","","","","has coordinates,has disorder","222524","2020-10-21","18:00:00",""
"4033950","19.82","0.004","20.51","0.004","38.69","0.008","81.65","0.03","78.06","0.03","77.99","0.03","14965","6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C460 H251 Cl7 -","- C460 H251 Cl7 -","- C920 H502 Cl14 -","2","1","","Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki","Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes.","The Journal of organic chemistry","2019","84","6","3500","3507","10.1021/acs.joc.9b00085","","","0.85","synchrotron","","0.1772","0.133","","","0.3685","0.4073","","","","","","1.621","","","","has coordinates,has disorder","222525","2020-10-21","18:00:00",""
"4033951","28.1237","0.0012","10.7016","0.0006","16.0023","0.0007","90","","94.248","0.004","90","","4803","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cl N O5 -","- C28 H22 Cl N O5 -","- C224 H176 Cl8 N8 O40 -","8","1","","Fernández, Patricia; Valdés, Carlos; Fañanás, Francisco J; Rodríguez, Félix","Unusual Reactivity of Isoquinolinones Generated by Silver-Catalyzed Cycloisomerizations of Imines Derived from ortho-Alkynylsalicylaldehydes.","The Journal of organic chemistry","2019","84","6","3184","3191","10.1021/acs.joc.8b03081","","","1.54184","CuKα","","0.0501","0.0443","","","0.1196","0.1266","","","","","","1.054","","","","has coordinates","222526","2020-10-21","18:00:00",""
"4033952","10.3778","0.0006","11.0907","0.0005","14.7661","0.001","75.263","0.005","76.775","0.005","67.089","0.005","1497.82","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Br N O9 -","- C31 H30 Br N O9 -","- C62 H60 Br2 N2 O18 -","2","1","","Fernández, Patricia; Valdés, Carlos; Fañanás, Francisco J; Rodríguez, Félix","Unusual Reactivity of Isoquinolinones Generated by Silver-Catalyzed Cycloisomerizations of Imines Derived from ortho-Alkynylsalicylaldehydes.","The Journal of organic chemistry","2019","84","6","3184","3191","10.1021/acs.joc.8b03081","","","1.5418","CuKα","","0.052","0.0447","","","0.1171","0.1272","","","","","","1.047","","","","has coordinates,has disorder","222527","2020-10-21","18:00:00",""
"4033953","9.0692","0.0009","9.9319","0.0008","15.9479","0.0014","90","","90","","90","","1436.5","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71075","MoKα","","0.0498","0.042","","","0.1078","0.1184","","","","","","1.042","","","","has coordinates","222528","2020-10-21","18:00:00",""
"4033954","11.756","0.004","17.147","0.005","9.519","0.003","90","","113.778","0.004","90","","1756","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N O3 -","- C19 H22 B N O3 -","- C76 H88 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0811","0.0667","","","0.185","0.2005","","","","","","1.045","","","","has coordinates,has disorder","222529","2020-10-21","18:00:00",""
"4033955","10.5088","0.0012","10.1424","0.0012","27.846","0.003","90","","90","","90","","2968","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B N O3 -","- C15 H20 B N O3 -","- C120 H160 B8 N8 O24 -","8","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0557","0.0364","","","0.1039","0.123","","","","","","1.104","","","","has coordinates","222530","2020-10-21","18:00:00",""
"4033956","14.8806","0.0019","10.6387","0.0014","10.1915","0.0013","90","","97.091","0.002","90","","1601.1","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B N O3 -","- C16 H22 B N O3 -","- C64 H88 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0617","0.0413","","","0.1231","0.1409","","","","","","1.074","","","","has coordinates","222531","2020-10-21","18:00:00",""
"4033957","11.9881","0.0003","16.7094","0.0003","9.6243","0.0002","90","","90.162","0.002","90","","1927.87","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 B N O3 -","- C19 H28 B N O3 -","- C76 H112 B4 N4 O12 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","1.54178","CuKα","","0.0521","0.0409","","","0.1094","0.1168","","","","","","1.029","","","","has coordinates,has disorder","222532","2020-10-21","18:00:00",""
"4033958","7.431","0.005","8.205","0.005","12.763","0.005","79.853","0.005","80.198","0.005","71.077","0.005","719.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 F3 N2 -","- C17 H9 F3 N2 -","- C34 H18 F6 N4 -","2","1","","Chen, Zhengwang; Liang, Pei; Xu, Fan; Deng, Zhen; Long, Lipeng; Luo, Guotian; Ye, Min","Metal-Free Aminothiation of Alkynes: Three-Component Tandem Annulation toward Indolizine Thiones from 2-Alkylpyridines, Ynals, and Elemental Sulfur.","The Journal of organic chemistry","2019","84","19","12639","12647","10.1021/acs.joc.9b01802","","","0.71069","MoKα","","0.115","0.0684","","","0.1484","0.17","","","","","","1.111","","","","has coordinates,has disorder","222533","2020-10-21","18:00:00",""
"4033959","8.8092","0.0003","11.4234","0.0004","17.0959","0.0005","90","","101.841","0.003","90","","1683.77","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-oxo-2-phenylindolin-2-yl)-2-phenylacetonitrile","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of Stereodefined 2-(3-Oxoindolin-2-yl)-2-Arylacetonitriles via One-Pot Reaction of Indoles with Nitroalkenes.","The Journal of organic chemistry","2019","84","19","12420","12429","10.1021/acs.joc.9b01874","","x-ray","1.54184","CuKα","","0.0482","0.0444","","","0.1215","0.1248","","","","","","1.076","","","","has coordinates","222534","2020-10-21","18:00:00",""
"4033960","9.3188","0.0003","7.4995","0.0002","25.0534","0.0006","90","","99.986","0.003","90","","1724.36","0.08","150.1","0.3","150.1","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-methyl-3-oxo-2-phenylindolin-2-yl)-2-phenylacetonitrile","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of Stereodefined 2-(3-Oxoindolin-2-yl)-2-Arylacetonitriles via One-Pot Reaction of Indoles with Nitroalkenes.","The Journal of organic chemistry","2019","84","19","12420","12429","10.1021/acs.joc.9b01874","","x-ray","1.54184","CuKα","","0.0512","0.0435","","","0.1142","0.1217","","","","","","1.043","","","","has coordinates","222535","2020-10-21","18:00:00",""
"4033961","13.0203","0.0014","6.0434","0.0006","16.2047","0.0018","90","","101.8","0.011","90","","1248.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C58 H50 N6 O12 -","2","1","","Ramaraju, Panduga; Pawar, Amol Prakash; Iype, Eldhose; Mir, Nisar A.; Choudhary, Sachin; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","Enantio- and Diastereoselective Two-Pot Synthesis of Isoquinuclidines from Glutaraldehyde and <i>N</i>-Aryl Imines with DFT Calculations.","The Journal of organic chemistry","2019","84","19","12408","12419","10.1021/acs.joc.9b01865","","","0.71073","MoKα","","0.0597","0.0418","","","0.0782","0.0887","","","","","","1.009","","","","has coordinates","222536","2020-10-21","18:00:00",""
"4033962","12.5922","0.0009","28.656","0.002","13.3383","0.001","90","","100.726","0.002","90","","4728.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H71 O3 P -","- C56 H71 O3 P -","- C224 H284 O12 P4 -","4","1","","Wagen, Corin C.; Ingoglia, Bryan T.; Buchwald, Stephen L.","Unexpected Formation of Hexasubstituted Arenes through a 2-fold Palladium-Mediated Ligand Arylation.","The Journal of organic chemistry","2019","84","19","12672","12679","10.1021/acs.joc.9b02091","","","0.71073","MoKα","","0.0561","0.0431","","","0.1105","0.1185","","","","","","1.067","","","","has coordinates,has disorder","222537","2020-10-21","18:00:00",""
"4033963","10.8819","0.0012","11.2677","0.0013","19.934","0.002","90","","92.701","0.003","90","","2441.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 S Se -","- C25 H25 N O3 S Se -","- C100 H100 N4 O12 S4 Se4 -","4","1","","Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.","The Journal of organic chemistry","2019","84","19","12324","12333","10.1021/acs.joc.9b01626","","","0.71073","MoKα","","0.0922","0.0627","","","0.1589","0.1773","","","","","","1.098","","","","has coordinates,has disorder","222538","2020-10-21","18:00:00",""
"4033964","8.486","0.001","15.1787","0.0018","16.604","0.002","90","","97.43","0.004","90","","2120.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 S Se -","- C23 H20 O4 S Se -","- C92 H80 O16 S4 Se4 -","4","1","","Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.","The Journal of organic chemistry","2019","84","19","12324","12333","10.1021/acs.joc.9b01626","","","0.71073","MoKα","","0.0582","0.0437","","","0.1134","0.1229","","","","","","1.03","","","","has coordinates","222539","2020-10-21","18:00:00",""
"4033965","10.1757","0.0002","10.8768","0.0003","13.9556","0.0004","90","","90","","90","","1544.59","0.07","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F N2 -","- C20 H17 F N2 -","- C80 H68 F4 N8 -","4","1","","Guan, Xu-Kai; Zhang, Heng; Gao, Ji-Gang; Sun, Dong-Yang; Qin, Xiang-Shuo; Jiang, Guo-Feng; Zhang, Guang-Liang; Zhang, Suoqin","Asymmetric Synthesis of 1,1,1-Triarylethanes by Chiral Imidodiphosphoric Acid Catalyzed Nucleophilic Addition of Pyrrole and Indoles to 3-Vinylindoles.","The Journal of organic chemistry","2019","84","19","12562","12572","10.1021/acs.joc.9b02024","","","0.71073","MoKα","","0.0372","0.0326","","","0.077","0.0814","","","","","","1.079","","","","has coordinates","222540","2020-10-21","18:00:00",""
"4033966","6.6474","0.0003","25.6822","0.0013","8.2626","0.0004","90","","90.123","0.004","90","","1410.59","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I O2 -","- C16 H15 I O2 -","- C64 H60 I4 O8 -","4","1","","Li, Mengxue; Yang, Fang; Yuan, Ting; Li, Haoyang; Li, Jian; Chen, Zi-Sheng; Ji, Kegong","Syntheses of <i>Z</i>-Iodovinylfurans and 2-Acyl Furans via Controllable Cyclization of Ynenones.","The Journal of organic chemistry","2019","84","19","12617","12625","10.1021/acs.joc.9b01852","","x-ray","0.71073","MoKα","","0.0276","0.0258","","","0.0502","0.051","","","","","","1.052","","","","has coordinates","222541","2020-10-21","18:00:00",""
"4033967","7.3362","0.0003","12.5626","0.0004","24.8378","0.001","90","","96.443","0.003","90","","2274.64","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O S -","- C27 H24 N2 O S -","- C108 H96 N8 O4 S4 -","4","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Zhao, Ming-Gang; Liang, Jin-Yan","Regioselective N-Addition/Substitution Reaction of α-Alkylidene Pyrazolinones with Propargyl Sulfonium Salts to Construct Allylthio-Containing Pyrazolones.","The Journal of organic chemistry","2019","84","19","12520","12531","10.1021/acs.joc.9b02029","","x-ray","0.71073","MoKα","","0.0851","0.0527","","","0.1182","0.1361","","","","","","1.055","","","","has coordinates","222542","2020-10-21","18:00:00",""
"4033968","7.0382","0.0002","12.4284","0.0004","25.3081","0.0008","90","","95.463","0.003","90","","2203.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Br N2 O -","- C26 H21 Br N2 O -","- C104 H84 Br4 N8 O4 -","4","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Zhao, Ming-Gang; Liang, Jin-Yan","Regioselective N-Addition/Substitution Reaction of α-Alkylidene Pyrazolinones with Propargyl Sulfonium Salts to Construct Allylthio-Containing Pyrazolones.","The Journal of organic chemistry","2019","84","19","12520","12531","10.1021/acs.joc.9b02029","","x-ray","0.71073","MoKα","","0.09","0.0494","","","0.0866","0.0991","","","","","","1.024","","","","has coordinates","222543","2020-10-21","18:00:00",""
"4033969","14.3246","0.0003","14.3246","0.0003","13.4826","0.0004","90","","90","","90","","2766.55","0.12","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Chen, Donghan; Yao, Yongqi; Yang, Wen; Lin, Qifu; Li, Huanyong; Wang, Lin; Chen, Shuqi; Tan, Yun; Yang, Dingqiao","Palladium-Catalyzed <i>syn</i>-Stereocontrolled Ring Opening of Oxabicyclic Alkenes with Arylsulfonyl Hydrazides.","The Journal of organic chemistry","2019","84","19","12481","12489","10.1021/acs.joc.9b01957","","x-ray","1.54184","CuKα","","0.0699","0.0627","","","0.1477","0.1584","","","","","","1.0415","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033970","12.8387","0.0014","8.758","0.001","15.1578","0.0018","90","","107.408","0.003","90","","1626.3","0.3","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H15 F16 O2 P -","- C37 H15 F16 O2 P -","- C74 H30 F32 O4 P2 -","2","1","","Fujii, Kohei; Ito, Shigekazu; Mikami, Koichi","Synthetic Methodologies for Perfluoroaryl-Substituted (Diaryl)methylphosphonates, -Phosphinates via S<sub>N</sub>Ar Reaction.","The Journal of organic chemistry","2019","84","19","12281","12291","10.1021/acs.joc.9b01402","","","0.71075","MoKα","","0.103","0.0576","","","0.1461","0.1901","","","","","","1.097","","","","has coordinates","222545","2020-10-21","18:00:00",""
"4033971","11.3319","0.0004","12.7598","0.0005","12.8305","0.0005","110.192","0.002","106.603","0.002","101.611","0.002","1573.1","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N O5 S Si -","- C27 H47 N O5 S Si -","- C54 H94 N2 O10 S2 Si2 -","2","1","","Domin, Sylwia; Plata, Paulina; Zambroń, Bartosz K","Diastereoselectivity Switch in the Pd(0)/InI-Mediated Reactions of β-Lactams with Aldehydes: An Entry into Nonracemic Semiprotected (3<i>E</i>)-2,6-Enediols.","The Journal of organic chemistry","2019","84","19","12268","12280","10.1021/acs.joc.9b01471","","","1.54178","CuKα","","0.1349","0.0549","","","0.1087","0.1337","","","","","","1.033","","","","has coordinates","222546","2020-10-21","18:00:00",""
"4033972","11.629","0.002","6.594","0.0013","11.819","0.002","90","","92.98","0.03","90","","905.1","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.","Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.","The Journal of organic chemistry","2019","84","19","12377","12386","10.1021/acs.joc.9b01748","","","0.71073","MoKα","","0.1174","0.0485","","","0.0849","0.1005","","","","","","0.948","","","","has coordinates","222547","2020-10-21","18:00:00",""
"4033973","7.8299","0.0006","10.6683","0.0007","12.3114","0.0008","94.019","0.003","106.392","0.003","111.383","0.002","901.29","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O4 -","- C22 H26 O4 -","- C44 H52 O8 -","2","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.","Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.","The Journal of organic chemistry","2019","84","19","12377","12386","10.1021/acs.joc.9b01748","","","0.71073","MoKα","","0.0634","0.0558","","","0.1504","0.1548","","","","","","1.098","","","","has coordinates","222549","2020-10-21","18:00:00",""
"4033974","10.3606","0.0013","12.1928","0.0014","12.3443","0.0013","73.449","0.003","82.756","0.004","85.252","0.004","1481","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N O5 -","- C37 H33 N O5 -","- C74 H66 N2 O10 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1157","0.0576","","","0.1192","0.1396","","","","","","1.025","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033975","8.8231","0.0005","12.02","0.0006","18.5392","0.0009","100.516","0.0015","94.566","0.0017","101.37","0.0017","1881.51","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H45 N O2 -","- C43 H45 N O2 -","- C86 H90 N2 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1158","0.0707","","","0.1901","0.216","","","","","","1.041","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033976","12.465","0.005","13.193","0.005","18.105","0.006","85.557","0.01","88.764","0.011","82.243","0.01","2941.1","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O -","- C36 H34 N2 O -","- C144 H136 N8 O4 -","4","2","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3463","0.1726","","","0.3905","0.4601","","","","","","0.977","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033977","33.92","0.03","17.611","0.01","12.341","0.008","90","","108.56","0.03","90","","6989","9","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O -","- C36 H34 N2 O -","- C288 H272 N16 O8 -","8","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3975","0.1748","","","0.408","0.4684","","","","","","1.057","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033978","12.8692","0.0007","14.8165","0.0008","18.1907","0.0009","94.0352","0.0015","91.0074","0.0015","112.648","0.0014","3189.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Br2 N2 O -","- C34 H28 Br2 N2 O -","- C136 H112 Br8 N8 O4 -","4","2","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1381","0.0608","","","0.1427","0.1744","","","","","","1.016","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033979","9.7033","0.0006","11.3031","0.0006","14.5288","0.0008","109.456","0.0018","99.8627","0.0017","95.9068","0.0018","1458.17","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Cl N2 O3 -","- C35 H31 Cl N2 O3 -","- C70 H62 Cl2 N4 O6 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1068","0.0548","","","0.1149","0.1348","","","","","","1.02","","","","has coordinates,has disorder","222550","2020-10-21","18:00:00",""
"4033980","10.215","0.004","12.438","0.005","13.289","0.004","66.026","0.011","87.403","0.012","73.883","0.012","1477.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl N2 O2 -","- C36 H33 Cl N2 O2 -","- C72 H66 Cl2 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.2721","0.0956","","","0.1976","0.259","","","","","","0.986","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033981","9.5778","0.001","11.7023","0.0012","16.5026","0.0017","73.919","0.003","73.572","0.003","84.413","0.003","1704.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H38 N2 O2 -","- C43 H38 N2 O2 -","- C86 H76 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.1212","0.0586","","","0.1297","0.1537","","","","","","1.019","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033982","11.076","0.002","12.665","0.002","14.752","0.003","68.944","0.007","75.455","0.008","68.425","0.007","1778.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H42 N2 O2 -","- C45 H42 N2 O2 -","- C90 H84 N4 O4 -","2","1","","Huang, Ying; Fang, Hui-Lin; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Synthesis of 7'-Arylidenespiro[indoline-3,1'-pyrrolizines] and 7'-Arylidenespiro[indene-2,1'-pyrrolizines] via [3 + 2] Cycloaddition and β-C-H Functionalized Pyrrolidine.","The Journal of organic chemistry","2019","84","19","12437","12451","10.1021/acs.joc.9b01920","","","0.71073","MoKα","","0.3547","0.1451","","","0.1826","0.224","","","","","","1.099","","","","has coordinates","222550","2020-10-21","18:00:00",""
"4033983","9.1","0.0004","14.3544","0.0004","17.5769","0.0007","90","","90","","90","","2295.98","0.15","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H26 Cl N3 O Ru -","- C25 H26 Cl N3 O Ru -","- C100 H104 Cl4 N12 O4 Ru4 -","4","1","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.0489","0.0425","","","0.1134","0.1236","","","","","","1.064","","","","has coordinates","222551","2020-10-21","18:00:00",""
"4033984","9.2805","0.0005","12.3962","0.0007","16.8806","0.0008","107.261","0.005","92.112","0.004","95.307","0.005","1842.36","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","0.71073","MoKα","","0.0638","0.0483","","","0.1073","0.1187","","","","","","1.04","","","","has coordinates","222552","2020-10-21","18:00:00",""
"4033985","11.8814","0.0004","19.457","0.0004","11.4871","0.0004","90","","115.705","0.004","90","","2392.75","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","2","","Sagara, Prateep Singh; Siril, Prem Felix; Ravikumar, Ponneri Chandrababu","<i>N</i>-Amino-7-azaindole as the <i>N</i>,<i>N</i>'-Bidentate Directing Group: Ruthenium-Catalyzed Oxidative Annulation of <i>N</i>-(7-Azaindole)benzamides with Alkynes via C-H Bond Activation.","The Journal of organic chemistry","2019","84","19","12314","12323","10.1021/acs.joc.9b01598","","x-ray","1.54184","CuKα","","0.053","0.0459","","","0.1248","0.1335","","","","","","1.035","","","","has coordinates","222553","2020-10-21","18:00:00",""
"4033986","8.6904","0.0005","10.4377","0.0006","11.8142","0.0007","79.06","0.002","83.239","0.002","75.759","0.002","1016.99","0.1","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O6 -","- C21 H24 Br N O6 -","- C42 H48 Br2 N2 O12 -","2","1","","Inuki, Shinsuke; Sato, Keisuke; Zui, Naoto; Yamaguchi, Ryosuke; Matsumaru, Takanori; Fujimoto, Yukari","Synthetic Studies on FNC-RED and Its Analogues Containing an All <i>syn</i>-Cyclopentanetetrol Moiety.","The Journal of organic chemistry","2019","84","19","12680","12685","10.1021/acs.joc.9b02101","","","0.71073","MoKα","","0.0339","0.0315","","","0.0842","0.088","","","","","","1.138","","","","has coordinates","222554","2020-10-21","18:00:00",""
"4033987","16.7603","0.0003","16.2554","0.0002","27.9643","0.0005","90","","90","","90","","7618.7","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C75 H14 O3 -","- C75 H14 O3 -","- C600 H112 O24 -","8","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.0878","0.0698","","","0.1671","0.189","","","","","","1.119","","","","has coordinates,has disorder","222555","2020-10-21","18:00:00",""
"4033988","10.1156","0.0002","13.4679","0.0003","28.2219","0.0005","90","","89.999","0.002","90","","3844.84","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H12 O3 S2 -","- C71 H12 O3 S2 -","- C284 H48 O12 S8 -","4","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.1454","0.1343","","","0.3397","0.3519","","","","","","1.05","","","","has coordinates,has disorder","222556","2020-10-21","18:00:00",""
"4033989","18.719","0.004","24.73","0.005","13.634","0.003","90","","90.08","0.03","90","","6311","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O6 -","- C38 H30 N2 O6 -","- C304 H240 N16 O48 -","8","2","","Liu, Rongfang; Qin, Zifeng; Fan, Binbin; Li, Ruifeng; Zhou, Rong; He, Zhengjie","Phosphine-Catalyzed Chemo- and Diastereoselective [2 + 2 + 2] and [3 + 2] Annulations of γ-Methyl Allenoates with Doubly Activated Olefins: Syntheses of Highly Substituted Cyclohexanes and Cyclopentenes.","The Journal of organic chemistry","2019","84","19","12490","12498","10.1021/acs.joc.9b01968","","","0.71073","MoKα","","0.0856","0.0604","","","0.141","0.1559","","","","","","1.052","","","","has coordinates","222557","2020-10-21","18:00:00",""
"4033990","15.402","0.006","12.284","0.004","14.044","0.005","90","","101.07","0.004","90","","2607.7","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C116 H112 N8 O24 -","4","1","","Liu, Rongfang; Qin, Zifeng; Fan, Binbin; Li, Ruifeng; Zhou, Rong; He, Zhengjie","Phosphine-Catalyzed Chemo- and Diastereoselective [2 + 2 + 2] and [3 + 2] Annulations of γ-Methyl Allenoates with Doubly Activated Olefins: Syntheses of Highly Substituted Cyclohexanes and Cyclopentenes.","The Journal of organic chemistry","2019","84","19","12490","12498","10.1021/acs.joc.9b01968","","","0.71073","MoKα","","0.0726","0.0609","","","0.1299","0.1364","","","","","","1.151","","","","has coordinates","222558","2020-10-21","18:00:00",""
"4033991","8.8801","0.0004","10.4479","0.0005","19.147","0.001","90","","91.163","0.004","90","","1776.06","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Li, Yong; Huang, Jiu-Hong; Wang, Juan-Li; Song, Gui-Ting; Tang, Dian-Yong; Yao, Fang; Lin, Hui-Kuan; Yan, Wei; Li, Hong-Yu; Xu, Zhi-Gang; Chen, Zhong-Zhu","Diversity-Oriented Synthesis of Imidazo-Dipyridines with Anticancer Activity via the Groebke-Blackburn-Bienaymé and TBAB-Mediated Cascade Reaction in One Pot.","The Journal of organic chemistry","2019","84","19","12632","12638","10.1021/acs.joc.9b01385","","","0.71073","MoKα","","0.0746","0.0503","","","0.1203","0.1354","","","","","","1.031","","","","has coordinates","222559","2020-10-21","18:00:00",""
"4033992","11.8826","0.0002","14.0278","0.0002","14.7882","0.0003","67.8036","0.0008","70.5153","0.0008","77.3415","0.001","2139.34","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C84 H136 O16 Si4 -","4","2","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0683","0.0463","","","0.1125","0.1246","","","","","","1.079","","","","has coordinates","222560","2020-10-21","18:00:00",""
"4033993","6.4887","0.0004","7.174","0.0004","25.6544","0.0015","90","","93.117","0.004","90","","1192.44","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0558","0.0411","","","0.0977","0.1067","","","","","","1.031","","","","has coordinates","222561","2020-10-21","18:00:00",""
"4033994","7.6989","0.0002","14.1778","0.0003","12.0083","0.0003","90","","105.433","0.002","90","","1263.48","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 O2 -","- C14 H17 O2 -","- C56 H68 O8 -","4","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.16","0.1031","","","0.2106","0.2306","","","","","","1.126","","","","has coordinates,has disorder","222562","2020-10-21","18:00:00",""
"4033995","6.5759","0.0001","7.0819","0.0001","13.0369","0.0003","90.667","0.001","99.802","0.001","100.196","0.001","588.269","0.018","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing","Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.","The Journal of organic chemistry","2019","84","16","10172","10182","10.1021/acs.joc.9b01349","","","0.71073","MoKα","","0.0412","0.037","","","0.098","0.1017","","","","","","1.064","","","","has coordinates","222563","2020-10-21","18:00:00",""
"4033996","7.7353","0.0003","12.3699","0.0004","17.0299","0.0006","90","","90","","90","","1629.5","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O7 S -","- C14 H21 N O7 S -","- C56 H84 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0242","0.0235","","0.0593","0.0588","0.0593","","","","","","1.0122","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033997","17.1318","0.0007","11.3992","0.0005","7.7486","0.0003","90","","90","","90","","1513.21","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O7 S -","- C13 H19 N O7 S -","- C52 H76 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0317","0.0298","","0.0779","0.0764","0.0779","","","","","","1.0164","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033998","6.0414","0.0001","18.1188","0.0004","32.9664","0.0006","90","","90","","90","","3608.6","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0285","0.0268","","0.0622","0.0604","0.0621","","","","","","0.9999","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033999","7.9339","0.0002","9.5184","0.0002","50.1703","0.0012","90","","90","","90","","3788.76","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0401","0.0388","","0.0737","0.0735","0.0737","","","","","","0.9965","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034000","7.4709","0.0002","9.7","0.0003","26.3803","0.0006","90","","90","","90","","1911.72","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0276","0.0265","","0.0706","0.0695","0.0706","","","","","","1.0006","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034001","8.5022","0.0001","9.5737","0.0001","21.0075","0.0003","90","","90","","90","","1709.96","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0347","0.0339","","0.0923","0.0907","0.0923","","","","","","1.0054","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034002","9.0485","0.0001","20.726","0.0003","9.711","0.0001","90","","90.9436","0.001","90","","1820.95","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0391","0.038","","0.1011","0.0994","0.1011","","","","","","1.0016","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034003","7.8667","0.0001","8.4699","0.0001","25.7707","0.0003","90","","90","","90","","1717.11","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O8 S2 -","- C13 H19 N O8 S2 -","- C52 H76 N4 O32 S8 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0342","0.0339","","0.0886","0.0881","0.0886","","","","","","1.0094","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034004","11.8798","0.0019","7.2157","0.0011","12.259","0.002","90","","114.56","0.02","90","","955.8","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O5 S -","- C18 H22 Cl N O5 S -","- C36 H44 Cl2 N2 O10 S2 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0931","0.073","","0.2045","0.1781","0.2045","","","","","","0.9961","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034005","9.3561","0.0003","8.2582","0.0002","10.6327","0.0003","90","","92.674","0.003","90","","820.64","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O7 S2 -","- C13 H19 N O7 S2 -","- C26 H38 N2 O14 S4 -","2","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0291","0.029","","0.0767","0.0765","0.0767","","","","","","0.9955","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034006","6.8792","0.0001","9.6131","0.0001","27.6203","0.0004","90","","90","","90","","1826.54","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 S -","- C19 H23 N O5 S -","- C76 H92 N4 O20 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0224","0.0219","","0.0566","0.0561","0.0566","","","","","","0.9954","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034007","15.819","0.0005","6.6125","0.0002","13.7597","0.0005","90","","103.292","0.002","90","","1400.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0557","0.0512","","","0.1408","0.1453","","","","","","1.093","","","","has coordinates","222566","2020-10-21","18:00:00",""
"4034008","9.0498","0.0001","6.4259","0.0001","14.3599","0.0002","90","","100.944","0.001","90","","819.89","0.02","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R,2R,5S,6S)-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0427","0.0401","","","0.1034","0.1063","","","","","","1.0637","","","","has coordinates","222567","2020-10-21","18:00:00",""
"4034009","6.2951","0.0001","10.3461","0.0001","10.9731","0.0001","90","","95.099","0.001","90","","711.847","0.015","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0413","0.0399","","","0.1016","0.1031","","","","","","1.068","","","","has coordinates","222568","2020-10-21","18:00:00",""
"4034010","20.0831","0.0009","7.6632","0.0003","10.9517","0.0005","90","","90","","90","","1685.48","0.13","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H14 O -","- C11 H14 O -","- C88 H112 O8 -","8","1","","Lee, Robert; Bashrum, Bryan; Cagle, Ethan C.; Walters, Jillian; Massey, Jake; Zanghi, Monica; Birchfield, Carolyn; French, David; Joy, Jessica; Dos Passos Gomes, Gabriel; Wiget, Paul A.","Electronic Donation or Steric Contraction: A Spectroscopic and Structural Analysis of Medium-Sized Constrained Rings for Potential Long-Range Hyperconjugation.","The Journal of organic chemistry","2019","84","16","9897","9906","10.1021/acs.joc.9b00979","","","1.54178","CuKα","","0.0524","0.052","","","0.1317","0.1321","","","","","","1.098","","","","has coordinates","222569","2020-10-21","18:00:00",""
"4034011","13.207","0.003","13.296","0.003","34.839","0.007","90","","90","","90","","6118","2","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 Br N5 O4 -","- C33 H30 Br N5 O4 -","- C264 H240 Br8 N40 O32 -","8","2","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Bifunctional Squaramide-Catalyzed Asymmetric [3 + 2] Cyclization of 2-(1-Methyl-2-oxoindolin-3-yl)malononitriles with Unsaturated Pyrazolones To Construct Spirooxindole-Fused Spiropyrazolones.","The Journal of organic chemistry","2019","84","16","10209","10220","10.1021/acs.joc.9b01268","","","0.71073","MoKα","","0.0528","0.0461","","","0.095","0.0991","","","","","","1.136","","","","has coordinates","222570","2020-10-21","18:00:00",""
"4034012","15.4743","0.0013","5.3473","0.0004","15.7831","0.0013","90","","91.454","0.004","90","","1305.56","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N O2 -","- C12 H14 F3 N O2 -","- C48 H56 F12 N4 O8 -","4","2","","Chen, Mu-Wang; Yang, Qin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Synthesis of Chiral β-Fluoroalkyl β-Amino Acid Derivatives via Palladium-Catalyzed Hydrogenation.","The Journal of organic chemistry","2019","84","16","10371","10379","10.1021/acs.joc.9b01523","","","1.54178","CuKα","","0.064","0.0525","","","0.1437","0.1579","","","","","","1.057","","","","has coordinates,has disorder","222571","2020-10-21","18:00:00",""
"4034013","17.027","0.0004","7.4312","0.00016","6.8749","0.00014","90","","90","","90","","869.89","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H10 N2 O2 S -","- C7 H10 N2 O2 S -","- C28 H40 N8 O8 S4 -","4","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","x-ray","1.54184","CuKα","","0.0348","0.0318","","","0.0783","0.0799","","","","","","1.071","","","","has coordinates","222572","2020-10-21","18:00:00",""
"4034014","12.6732","0.0014","15.4639","0.0007","16.0509","0.0008","114.873","0.002","96.893","0.003","94.6","0.003","2803.2","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl6 F12 N4 O4 Pd2 -","- C53 H37 Cl6 F12 N4 O4 Pd2 -","- C106 H74 Cl12 F24 N8 O8 Pd4 -","2","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","","0.71073","MoKα","","0.053","0.0416","","","0.1044","0.1124","","","","","","1.033","","","","has coordinates","222573","2020-10-21","18:00:00",""
"4034015","29.2218","0.0009","9.7598","0.0004","20.4945","0.0008","90","","91.601","0.003","90","","5842.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C288 H216 N24 O48 -","12","3","","Kumar, Sandeep; Pradhan, Sourav; Roy, Subhasish; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Iron-Catalyzed Regioselective Remote C(sp<sup>2</sup>)-H Carboxylation of Naphthyl and Quinoline Amides.","The Journal of organic chemistry","2019","84","16","10481","10489","10.1021/acs.joc.9b01184","","","0.71073","MoKα","","0.1239","0.0687","","","0.1476","0.1901","","","","","","1.001","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034016","55.259","0.002","21.9278","0.0009","7.1347","0.0003","90","","90","","90","","8645.2","0.6","150","","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H23 N5 O3 S -","- C22 H23 N5 O3 S -","- C352 H368 N80 O48 S16 -","16","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0441","0.0437","","0.1287","0.1274","0.1271","","","","","","1.0196","","","","has coordinates","222575","2020-10-21","18:00:00",""
"4034017","22.113","0.003","9.141","0.008","19.164","0.002","90","","105.731","0.011","90","","3729","3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 N3 O S -","- C46 H39 N3 O S -","- C184 H156 N12 O4 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1486","0.0988","","0.1661","0.1303","0.1661","","","","","","1.0599","","","","has coordinates","222576","2020-10-21","18:00:00",""
"4034018","11.1584","0.0017","15.1108","0.0017","33.728","0.004","90","","90","","90","","5687","1.3","150.01","0.1","150.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H27 N3 O S -","- C35 H27 N3 O S -","- C280 H216 N24 O8 S8 -","8","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1304","0.0692","","0.1516","0.1069","0.1516","","","","","","0.9804","","","","has coordinates,has disorder","222577","2020-10-21","18:00:00",""
"4034019","10.406","0.001","6.819","0.0007","10.517","0.001","90","","102.1","0.01","90","","729.69","0.13","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H13 N3 O S -","- C17 H13 N3 O S -","- C34 H26 N6 O2 S2 -","2","0.5","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0464","0.043","","0.129","0.1236","0.129","","","","","","1.0511","","","","has coordinates","222578","2020-10-21","18:00:00",""
"4034020","11.812","0.0013","12.9977","0.0016","13.5311","0.0015","65.759","0.011","79.321","0.01","87.886","0.01","1859.7","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 N3 O3 S -","- C46 H39 N3 O3 S -","- C92 H78 N6 O6 S2 -","2","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.0903","0.0544","","0.1273","0.0896","0.1273","","","","","","1.0046","","","","has coordinates","222579","2020-10-21","18:00:00",""
"4034021","7.118","0.0008","17.3683","0.0017","11.5631","0.0011","90","","94.347","0.01","90","","1425.4","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.0578","0.0442","","0.0791","0.0666","0.0791","","","","","","1.0181","","","","has coordinates","222580","2020-10-21","18:00:00",""
"4034022","22.307","0.003","9.2796","0.0009","14.2356","0.0017","90","","104.766","0.014","90","","2849.5","0.6","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O3 S -","- C35 H27 N3 O3 S -","- C140 H108 N12 O12 S4 -","4","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","1.54184","CuKα","","0.0915","0.0584","","0.1323","0.1029","0.1323","","","","","","0.9892","","","","has coordinates","222581","2020-10-21","18:00:00",""
"4034023","12.7314","0.0008","23.7964","0.0015","7.2381","0.0004","90","","90.855","0.005","90","","2192.6","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","","0.71073","MoKα","","0.0993","0.0718","","","0.1452","0.1552","","","","","","1.007","","","","has coordinates","222583","2020-10-21","18:00:00",""
"4034024","7.0599","0.0001","15.7538","0.0002","20.8421","0.0003","90","","90","","90","","2318.06","0.06","180","0.1","180","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O2 S -","- C27 H24 Br N O2 S -","- C108 H96 Br4 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","x-ray","0.71073","MoKα","","0.0273","0.0253","","","0.0659","0.0669","","","","","","1.032","","","","has coordinates","222584","2020-10-21","18:00:00",""
"4034025","15.0815","0.0018","15.0815","0.0018","8.9943","0.0006","90","","90","","90","","2045.8","0.4","143","2","143","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C32 H54 Cd N12 O8 -","- C32 H54 Cd N12 O8 -","- C64 H108 Cd2 N24 O16 -","2","0.25","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.0319","0.0287","","","0.0699","0.0713","","","","","","1.04","","","","has coordinates,has disorder","222585","2020-10-21","18:00:00",""
"4034026","31.153","0.006","6.5006","0.0014","10.454","0.002","90","","96.184","0.007","90","","2104.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.1884","0.0842","","","0.1911","0.2428","","","","","","1.003","","","","has coordinates","222586","2020-10-21","18:00:00",""
"4034027","15.1672","0.0015","6.1734","0.0006","10.7592","0.0011","90","","98.628","0.009","90","","996.02","0.17","123","2","123","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 N6 -","- C21 H28 N6 -","- C42 H56 N12 -","2","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.0595","0.0474","","","0.1338","0.1409","","","","","","1.107","","","","has coordinates","222587","2020-10-21","18:00:00",""
"4034028","10.1187","0.0006","12.067","0.0007","10.3366","0.0006","90","","94.727","0.005","90","","1257.83","0.13","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H12 Cd N4 O7 -","- C7 H12 Cd N4 O7 -","- C28 H48 Cd4 N16 O28 -","4","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.033","0.0291","","","0.0772","0.078","","","","","","1.127","","","","has coordinates","222588","2020-10-21","18:00:00",""
"4034029","6.1286","0.0004","12.4667","0.0008","9.5271","0.0008","90","","104.044","0.008","90","","706.15","0.09","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N4 -","- C14 H20 N4 -","- C28 H40 N8 -","2","0.5","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1046","0.1106","","","","","","1.1","","","","has coordinates","222589","2020-10-21","18:00:00",""
"4034030","13.6074","0.0006","15.3263","0.0006","32.0745","0.0013","90","","92.113","0.002","90","","6684.6","0.5","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N6 O27 -","- C60 H74 N6 O27 -","- C240 H296 N24 O108 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","","1.54178","CuKα","","0.0771","0.0547","","","0.1359","0.1495","","","","","","1.019","","","","has coordinates","222590","2020-10-21","18:00:00",""
"4034031","5.3084","0.0003","14.0286","0.0008","25.1623","0.0013","90","","90","","90","","1873.82","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O8 -","- C18 H22 N2 O8 -","- C72 H88 N8 O32 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","x-ray","1.54178","CuKα","","0.0295","0.0271","","","0.0651","0.0662","","","","","","1.033","","","","has coordinates","222591","2020-10-21","18:00:00",""
"4034032","7.2298","0.0008","8.3505","0.0009","16.1942","0.0018","100.223","0.002","97.236","0.002","100.386","0.002","933.71","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0465","0.0444","","","0.1168","0.1188","","","","","","1.064","","","","has coordinates","222592","2020-10-21","18:00:00",""
"4034033","16.1706","0.0015","12.591","0.001","17.2521","0.0014","90","","107.106","0.002","90","","3357.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 F5 N2 O4 S -","- C17 H9 F5 N2 O4 S -","- C136 H72 F40 N16 O32 S8 -","8","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0344","0.0319","","","0.0932","0.0957","","","","","","1.06","","","","has coordinates","222593","2020-10-21","18:00:00",""
"4034034","4.937","0.0001","14.7611","0.0004","17.1017","0.0004","90","","90","","90","","1246.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0295","0.0287","","","0.075","0.0758","","","","","","1.048","","","","has coordinates","222594","2020-10-21","18:00:00",""
"4034035","11.189","0.003","11.474","0.002","14.86","0.003","84.479","0.009","87.969","0.01","77.882","0.009","1856.4","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Mallick, Rajendra K.; Dutta, Shubham; Vanjari, Rajeshwer; Voituriez, Arnaud; Sahoo, Akhila K.","Thioarylative Radical Cyclization of Yne-Dienone.","The Journal of organic chemistry","2019","84","16","10509","10517","10.1021/acs.joc.9b01445","","","0.71073","MoKα","","0.1453","0.0609","","","0.1083","0.1335","","","","","","1.0631","","","","has coordinates","222595","2020-10-21","18:00:00",""
"4034036","11.454","0.002","9.9349","0.0019","9.8667","0.0017","90","","98.818","0.007","90","","1109.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl F2 N O2 -","- C10 H8 Cl F2 N O2 -","- C40 H32 Cl4 F8 N4 O8 -","4","1","","Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao","Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds.","The Journal of organic chemistry","2019","84","16","10449","10458","10.1021/acs.joc.9b01808","","","0.71073","MoKα","","0.0544","0.0468","","","0.1357","0.1452","","","","","","1.042","","","","has coordinates","222596","2020-10-21","18:00:00",""
"4034037","4.6067","0.0006","9.4142","0.0012","11.9555","0.0015","84.496","0.005","87.781","0.005","89.35","0.005","515.7","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cl F N O2 -","- C10 H9 Cl F N O2 -","- C20 H18 Cl2 F2 N2 O4 -","2","1","","Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao","Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds.","The Journal of organic chemistry","2019","84","16","10449","10458","10.1021/acs.joc.9b01808","","","0.71073","MoKα","","0.0405","0.0367","","","0.1058","0.1096","","","","","","1.07","","","","has coordinates","222597","2020-10-21","18:00:00",""
"4034038","6.79503","0.0001","9.34296","0.00015","12.13842","0.00019","70.5234","0.0005","84.0295","0.0005","84.7558","0.0005","721.255","0.019","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl N3 O2 -","- C16 H14 Cl N3 O2 -","- C32 H28 Cl2 N6 O4 -","2","1","","Donikela, Sangeetha; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Metal Free Domino β-Azidation/[3 + 2] Cycloaddition Reaction for the Synthesis of 1,2,3-Triazole-Fused Dihydrobenzoxazinones.","The Journal of organic chemistry","2019","84","16","10546","10553","10.1021/acs.joc.9b01660","","","0.71073","MoKα","","0.0555","0.0429","","","0.1093","0.117","","","","","","1.025","","","","has coordinates","222598","2020-10-21","18:00:00",""
"4034039","8.9488","0.0015","10.0892","0.0016","10.5117","0.0017","88.917","0.005","87.835","0.005","71.809","0.005","901","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br2 Cl Cu N4 -","- C18 H11 Br2 Cl Cu N4 -","- C36 H22 Br4 Cl2 Cu2 N8 -","2","1","","Das, Siuli; Sinha, Suman; Samanta, Deepannita; Mondal, Rakesh; Chakraborty, Gargi; Brandaõ, Paula; Paul, Nanda D.","Metal-Ligand Cooperative Approach To Achieve Dehydrogenative Functionalization of Alcohols to Quinolines and Quinazolin-4(3<i>H</i>)-ones under Mild Aerobic Conditions.","The Journal of organic chemistry","2019","84","16","10160","10171","10.1021/acs.joc.9b01343","","","0.71073","MoKα","","0.0774","0.0553","","","0.1001","0.1124","","","","","","1.165","","","","has coordinates","222599","2020-10-21","18:00:00",""
"4034040","8.4055","0.0009","9.6574","0.001","10.6928","0.0011","67.685","0.003","70.571","0.003","66.514","0.003","719.45","0.13","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O -","- C18 H28 O -","- C36 H56 O2 -","2","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0581","0.0427","","","0.0998","0.1095","","","","","","1.045","","","","has coordinates","222600","2020-10-21","18:00:00",""
"4034041","8.3036","0.0012","8.4034","0.0012","11.042","0.0017","83.627","0.007","87.534","0.007","87.47","0.006","764.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 Cl6 -","- C34 H30 Cl6 -","- C34 H30 Cl6 -","1","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0972","0.088","","","0.2958","0.3012","","","","","","1.139","","","","has coordinates,has disorder","222601","2020-10-21","18:00:00",""
"4034042","8.3688","0.0007","12.6818","0.0011","12.7859","0.0011","109.626","0.002","95.549","0.003","90.117","0.003","1271.3","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 O2 -","- C32 H40 O2 -","- C64 H80 O4 -","2","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0567","0.0413","","","0.1081","0.1187","","","","","","1.032","","","","has coordinates","222602","2020-10-21","18:00:00",""
"4034043","13.8935","0.0015","7.9659","0.0009","11.9709","0.0013","90","","93.358","0.001","90","","1322.6","0.3","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 -","- C36 H36 -","- C72 H72 -","2","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","x-ray","0.79942","synchrotron","","0.0427","0.0407","","","0.1014","0.1031","","","","","","1.069","","","","has coordinates","222603","2020-10-21","18:00:00",""
"4034044","30.492","0.003","6.8073","0.0008","12.6172","0.0014","90","","90.618","0.002","90","","2618.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C36 H36 -","- C36 H36 -","- C144 H144 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0422","0.0377","","","0.0933","0.0968","","","","","","1.035","","","","has coordinates","222604","2020-10-21","18:00:00",""
"4034045","12.2567","0.0012","17.8763","0.0018","13.3141","0.0013","90","","103.004","0.002","90","","2842.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 O2 -","- C38 H44 O2 -","- C152 H176 O8 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0602","0.043","","","0.1045","0.1183","","","","","","1.025","","","","has coordinates","222605","2020-10-21","18:00:00",""
"4034046","9.7346","0.0002","10.0564","0.0002","10.2632","0.0002","106.851","0.001","109.506","0.001","105.474","0.001","829.51","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H52 -","- C44 H52 -","- C44 H52 -","1","0.5","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0412","0.038","","","0.1053","0.1088","","","","","","1.008","","","","has coordinates","222606","2020-10-21","18:00:00",""
"4034047","13.0562","0.0004","14.1031","0.0004","22.1469","0.0006","82.25","0.001","74.037","0.001","62.82","0.001","3487.58","0.18","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","2","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","0.71073","MoKα","","0.0565","0.0415","","","0.0993","0.11","","","","","","1.023","","","","has coordinates","222607","2020-10-21","18:00:00",""
"4034048","18.9017","0.0016","26.689","0.003","6.9776","0.0006","90","","90","","90","","3520","0.6","152","2","152","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C44 H52 -","- C44 H52 -","- C176 H208 -","4","1","","Geiger, Thomas; Haupt, Anne; Maichle-Mössmer, Cäcilia; Schrenk, Claudio; Schnepf, Andreas; Bettinger, Holger F.","Synthesis and Photodimerization of 2- and 2,3-Disubstituted Anthracenes: Influence of Steric Interactions and London Dispersion on Diastereoselectivity.","The Journal of organic chemistry","2019","84","16","10120","10135","10.1021/acs.joc.9b01317","","","1.54178","CuKα","","0.0598","0.0347","","","0.0789","0.0829","","","","","","1.016","","","","has coordinates,has disorder","222608","2020-10-21","18:00:00",""
"4034049","20.807","0.005","10.896","0.003","10.885","0.003","90","","100.437","0.005","90","","2426.9","1.1","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H19 F3 Fe N4 O3 -","- C23 H19 F3 Fe N4 O3 -","- C92 H76 F12 Fe4 N16 O12 -","4","1","","Han, Liuqing; Li, Ke; Xu, Haitong; Mei, Tao; Sun, Yali; Qu, Jingping; Song, Yuming","<i>N</i>-TFA-Gly-Bt-Based Stereoselective Synthesis of Substituted 3-Amino Tetrahydro-2<i>H</i>-pyran-2-ones via an Organocatalyzed Cascade Process.","The Journal of organic chemistry","2019","84","16","10526","10534","10.1021/acs.joc.9b01488","","","0.71073","MoKα","","0.062","0.055","","","0.1383","0.1424","","","","","","1.001","","","","has coordinates","222609","2020-10-21","18:00:00",""
"4034050","7.0218","0.0015","11.174","0.002","13.221","0.003","90","","90","","90","","1037.3","0.4","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bi, Hong-Yan; Du, Min; Pan, Cheng-Xue; Xiao, Yuhong; Su, Gui-Fa; Mo, Dong-Liang","Nickel(II)-Catalyzed [5 + 1] Annulation of 2-Carbonyl-1-propargylindoles with Hydroxylamine To Synthesize Pyrazino[1,2-<i>a</i>]indole-2-oxides in Water.","The Journal of organic chemistry","2019","84","16","9859","9868","10.1021/acs.joc.9b00784","","","0.71073","MoKα","","0.0442","0.0355","","","0.0923","0.1001","","","","","","1.041","","","","has coordinates","222610","2020-10-21","18:00:00",""
"4034051","10.2715","0.0008","16.4258","0.0014","18.109","0.002","90","","90","","90","","3055.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 Cl N2 O3 -","- C36 H35 Cl N2 O3 -","- C144 H140 Cl4 N8 O12 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","0.71073","MoKα","","0.0785","0.0515","","","0.0956","0.1126","","","","","","1.05","","","","has coordinates","222611","2020-10-21","18:00:00",""
"4034052","10.5347","0.0006","29.1222","0.0016","8.5149","0.0004","90","","111.16","0.006","90","","2436.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N3 O4 S -","- C27 H26 N3 O4 S -","- C108 H104 N12 O16 S4 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","1.54184","CuKα","","0.0598","0.0523","","","0.1421","0.1486","","","","","","1.098","","","","has coordinates","222612","2020-10-21","18:00:00",""
"4034053","9.0345","0.0006","13.5168","0.0006","9.3716","0.0006","90","","113.131","0.008","90","","1052.43","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.0394","0.0359","","","0.0799","0.0824","","","","","","1.027","","","","has coordinates","222613","2020-10-21","18:00:00",""
"4034054","12.2321","0.0015","7.4711","0.0009","13.3738","0.0016","90","","110.067","0.003","90","","1148","0.2","300","","300.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei","Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.","The Journal of organic chemistry","2019","84","16","10328","10337","10.1021/acs.joc.9b01490","","x-ray","0.71073","MoKα","","0.08","0.0575","","","0.1405","0.1563","","","","","","1.037","","","","has coordinates,has disorder","222614","2020-10-21","18:00:00",""
"4034055","9.024","0.0009","13.3762","0.0013","18.311","0.002","90","","103.731","0.003","90","","2147.1","0.4","273","0.2","273","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl N2 O4 S -","- C21 H23 Cl N2 O4 S -","- C84 H92 Cl4 N8 O16 S4 -","4","1","","Hajra, Saumen; Hazra, Atanu; Abu Saleh, S. K.","One-Pot Synthesis of Enantiopure Spiro[3,4-dihydrobenzo[<i>b</i>][1,4]oxazine-2,3'-oxindole] via Regio- and Stereoselective Tandem Ring Opening/Cyclization of Spiroaziridine Oxindoles with Bromophenols.","The Journal of organic chemistry","2019","84","16","10412","10421","10.1021/acs.joc.9b01611","","","0.71073","MoKα","","0.0421","0.0405","","","0.1042","0.1057","","","","","","1.037","","","","has coordinates","222615","2020-10-21","18:00:00",""
"4034056","13.8238","0.001","16.1894","0.0012","31.377","0.002","90","","90","","90","","7022.1","0.9","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 Cl2 N6 O22 Si2 -","- C60 H72 Cl2 N6 O22 Si2 -","- C240 H288 Cl8 N24 O88 Si8 -","4","1","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","","0.71073","MoKα","","0.1613","0.0456","","","0.0985","0.1229","","","","","","0.886","","","","has coordinates,has disorder","222616","2020-10-21","18:00:00",""
"4034057","7.5537","0.0007","12.8817","0.0011","13.5102","0.0013","107.124","0.008","94.728","0.008","90.025","0.007","1251.6","0.2","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C27 H22 Cl N3 O8 -","- C27 H22 Cl N3 O8 -","- C54 H44 Cl2 N6 O16 -","2","2","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","x-ray","0.71073","MoKα","","0.0745","0.0465","","","0.1021","0.1093","","","","","","0.913","","","","has coordinates","222617","2020-10-21","18:00:00",""
"4034058","7.7056","0.0003","19.3654","0.0009","10.8728","0.0005","90","","107.45","0.002","90","","1547.79","0.12","153","2","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 Cu N4 O4 S2 -","- C36 H26 Cu N4 O4 S2 -","- C72 H52 Cu2 N8 O8 S4 -","2","1","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","1.54178","CuKα","","0.059","0.0569","","","0.1434","0.1464","","","","","","1.078","","","","has coordinates","222618","2020-10-21","18:00:00",""
"4034059","7.847","0.002","10.175","0.002","15.325","0.004","108.76","0.02","96.67","0.02","96.47","0.02","1136","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cu N4 O4 S4 -","- C48 H34 Cu N4 O4 S4 -","- C48 H34 Cu N4 O4 S4 -","1","0.5","","Jiang, Yi; Feng, Yi-Yue; Zou, Jiao-Xia; Lei, Shuai; Hu, Xiao-Ling; Yin, Gao-Feng; Tan, Wen; Wang, Zhen","Brønsted Base-Switched Selective Mono- and Dithiolation of Benzamides via Copper Catalysis.","The Journal of organic chemistry","2019","84","16","10490","10500","10.1021/acs.joc.9b01237","","","0.71073","MoKα","","0.1521","0.0731","","","0.0963","0.1333","","","","","","0.978","","","","has coordinates","222619","2020-10-21","18:00:00",""
"4034060","7.1623","0.0001","11.1474","0.0002","14.1885","0.0003","90.75","0.002","90.793","0.002","101.35","0.002","1110.42","0.04","116","0.3","116","0.3","","","","","","","","6","P -1","-P 1","2","boron complex","(8,8-difluoro-6-phenyl-8H-8(lambda)4,9(lambda)4-benzo[e]pyrido[1’,2’:1,6][1,3,2]diazaborinino[5,4,3-hi]indol-5-yl)(phenyl)methanone","","- C30 H19 B F2 N2 O -","- C30 H19 B F2 N2 O -","- C60 H38 B2 F4 N4 O2 -","2","1","","Bodunov, Vladimir A.; Galenko, Ekaterina E.; Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Selective Cu-Catalyzed Intramolecular Annulation of 3-Aryl/Heteryl-2-(diazoacetyl)-1<i>H</i>-pyrroles: Synthesis of Benzo/Furo/Thieno[<i>e</i>]-Fused 1<i>H</i>-Indol-7-oles and Their Transformations.","The Journal of organic chemistry","2019","84","16","10388","10401","10.1021/acs.joc.9b01573","","x-ray","1.54184","CuKα","","0.0389","0.0356","","","0.096","0.0989","","","","","","1.051","","","","has coordinates","222620","2020-10-21","18:00:00",""
"4034061","10.5184","0.0002","10.7815","0.0002","20.6909","0.0005","90","","103.304","0.002","90","","2283.46","0.08","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","quinone","1-acetyl-2-methyl-3H-benzo[e]indole-4,5-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","","Bodunov, Vladimir A.; Galenko, Ekaterina E.; Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Selective Cu-Catalyzed Intramolecular Annulation of 3-Aryl/Heteryl-2-(diazoacetyl)-1<i>H</i>-pyrroles: Synthesis of Benzo/Furo/Thieno[<i>e</i>]-Fused 1<i>H</i>-Indol-7-oles and Their Transformations.","The Journal of organic chemistry","2019","84","16","10388","10401","10.1021/acs.joc.9b01573","","x-ray","1.54184","CuKα","","0.0405","0.0386","","","0.104","0.1056","","","","","","1.07","","","","has coordinates","222621","2020-10-21","18:00:00",""
"4034062","9.2336","0.0004","9.4539","0.0004","11.6746","0.0006","81.955","0.001","89.103","0.001","82.394","0.001","1000.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F5 N3 O -","- C21 H18 F5 N3 O -","- C42 H36 F10 N6 O2 -","2","1","","Yang, Jinyue; Fu, Xiaopan; Tang, Shibiao; Deng, Kezuan; Zhang, Lili; Yang, Xianjin; Ji, Yafei","2-Amino-5,6-difluorophenyl-1<i>H</i>-pyrazole-Directed Pd<sup>II</sup> Catalysis: Arylation of Unactivated β-C(sp<sup>3</sup>)-H Bonds.","The Journal of organic chemistry","2019","84","16","10221","10236","10.1021/acs.joc.9b01276","","","0.71073","MoKα","","0.0676","0.0501","","","0.1212","0.1361","","","","","","1.039","","","","has coordinates,has disorder","222622","2020-10-21","18:00:00",""
"4034063","10.3951","0.0002","9.1572","0.0002","14.132","0.0003","90","","104.577","0.001","90","","1301.92","0.05","170","2","170.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Zhanxiang; Zhang, Yuhong","Redox-Neutral Rhodium(III)-Catalyzed Annulation of Arylhydrazines with Sulfoxonium Ylides To Synthesize 2-Arylindoles.","The Journal of organic chemistry","2019","84","20","13013","13021","10.1021/acs.joc.9b01815","","","0.71073","MoKα","","0.0582","0.0435","","","0.1028","0.1127","","","","","","1.031","","","","has coordinates","222623","2020-10-21","18:00:00",""
"4034064","8.2685","0.0015","11.592","0.002","16.655","0.003","90","","97.756","0.007","90","","1581.8","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.168","0.1184","","","0.2772","0.2999","","","","","","1.146","","","","has coordinates","222624","2020-10-21","18:00:00",""
"4034065","8.1193","0.001","9.9517","0.0014","11.3151","0.0015","72.109","0.005","74.999","0.004","83.021","0.005","839.53","0.19","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0773","0.0711","","","0.2108","0.2311","","","","","","1.03","","","","has coordinates","222625","2020-10-21","18:00:00",""
"4034066","9.8862","0.0016","10.4984","0.0017","16.003","0.002","90","","93.23","0.005","90","","1658.3","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.064","0.044","","","0.1035","0.114","","","","","","1.021","","","","has coordinates","222626","2020-10-21","18:00:00",""
"4034067","8.1744","0.0008","10.4984","0.0012","11.0518","0.0013","100.538","0.004","104.424","0.004","110.934","0.003","818.25","0.16","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.0913","0.0959","","","","","","1.012","","","","has coordinates","222627","2020-10-21","18:00:00",""
"4034068","8.0869","0.001","24.59","0.003","8.1","0.001","90","","97.428","0.005","90","","1597.2","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.0487","0.0427","","","0.1056","0.11","","","","","","1.025","","","","has coordinates","222628","2020-10-21","18:00:00",""
"4034069","13.5363","0.0013","15.9433","0.0016","15.9965","0.0015","90","","109.348","0.003","90","","3257.3","0.5","250","","250","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C160 H112 Cl8 N8 O8 -","8","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Site-Selective Ruthenium-Catalyzed C-H Bond Arylations with Boronic Acids: Exploiting Isoindolinones as a Weak Directing Group.","The Journal of organic chemistry","2019","84","20","12893","12903","10.1021/acs.joc.9b01563","","x-ray","0.71073","MoKα","","0.1329","0.1061","","","0.2629","0.2833","","","","","","1.348","","","","has coordinates","222629","2020-10-21","18:00:00",""
"4034070","15.6137","0.0003","9.3076","0.0002","16.1577","0.0004","90","","115.593","0.003","90","","2117.75","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Lin, Peng-Peng; Han, Xiang-Lei; Ye, Guo-Hua; Li, Ji-Lin; Li, Qingjiang; Wang, Honggen","Cp*Co(III)-Catalyzed Dearomative [3 + 2] Spiroannulation of 2-Alkenylphenols with Ynamides via C-H Activation.","The Journal of organic chemistry","2019","84","20","12966","12974","10.1021/acs.joc.9b01750","","x-ray","1.54184","CuKα","","0.1246","0.1133","","","0.3116","0.3554","","","","","","1.587","","","","has coordinates","222630","2020-10-21","18:00:00",""
"4034071","7.4014","0.0005","7.4304","0.0007","13.2449","0.0009","102.731","0.007","90.884","0.006","112.838","0.008","650.66","0.1","271.94","0.1","271.94","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl N2 O2 S -","- C14 H9 Cl N2 O2 S -","- C28 H18 Cl2 N4 O4 S2 -","2","1","","Liu, Deming; Luo, Puying; Ge, Junying; Jiang, Zilin; Peng, Yiyuan; Ding, Qiuping","Synthesis of 2-Arylbenzothiazole and 2-Arylthiazole Derivatives via a Ru-Catalyzed <i>meta</i>-Selective C-H Nitration Reaction.","The Journal of organic chemistry","2019","84","20","12784","12791","10.1021/acs.joc.9b01194","","x-ray","0.71073","MoKα","","0.0734","0.0548","","","0.122","0.132","","","","","","1.08","","","","has coordinates","222631","2020-10-21","18:00:00",""
"4034072","6.4889","0.0004","7.9019","0.0006","43.923","0.003","90","","90","","90","","2252.1","0.3","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 -","- C31 H23 N3 -","- C124 H92 N12 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.0878","0.0752","","","0.2019","0.21","","","","","","1.058","","","","has coordinates","222632","2020-10-21","18:00:00",""
"4034073","10.0462","0.0018","18.268","0.003","13.217","0.003","90","","101.997","0.007","90","","2372.7","0.8","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.1847","0.1206","","","0.2457","0.2761","","","","","","1.074","","","","has coordinates","222633","2020-10-21","18:00:00",""
"4034074","10.6027","0.0002","10.6027","0.0002","26.41","0.0005","90","","90","","120","","2571.18","0.08","298","2","298","2","","","","","","","","4","P 61","P 61","169","","N-(1-(tert-Butylcarbamoyl)cyclohexyl)picolinamide","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C102 H150 N18 O12 -","6","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0479","0.0453","","","0.1075","0.1107","","","","","","1.125","","","","has coordinates","222634","2020-10-21","18:00:00",""
"4034075","10.286","0.003","16.253","0.006","13.955","0.005","90","","100.124","0.015","90","","2296.6","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(1-(tert-Butylcarbamoyl)-3-(4-nitrophenyl)-cyclohexyl)-picolinamide","","- C23 H28 N4 O4 -","- C23 H28 N4 O4 -","- C92 H112 N16 O16 -","4","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.1447","0.0705","","","0.1449","0.18","","","","","","1.018","","","","has coordinates","222635","2020-10-21","18:00:00",""
"4034076","9.2453","0.0002","12.0977","0.0002","13.4707","0.0002","93.963","0.001","101.701","0.001","111.325","0.001","1357.37","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 3-(tert-butylcarbamoyl)-5-phenyl-3-(picolinamido)piperidine-1-carboxylate","","- C27 H36 N4 O4 -","- C27 H36 N4 O4 -","- C54 H72 N8 O8 -","2","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0448","0.041","","","0.1086","0.1126","","","","","","1.038","","","","has coordinates","222636","2020-10-21","18:00:00",""
"4034077","11.38","0.0001","11.3812","0.0001","12.3023","0.0002","111.073","0.001","116.203","0.001","91.803","0.001","1299.13","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O3 -","- C36 H26 O3 -","- C72 H52 O6 -","2","1","","Chen, Honghao; Ouyang, Lufeng; Liu, Jidan; Shi, Wen-Jing; Chen, Guoshu; Zheng, Liyao","Synthesis of Multisubstituted 1-Naphthoic Acids via Ru-Catalyzed C-H Activation and Double-Alkyne Annulation under Air.","The Journal of organic chemistry","2019","84","20","12755","12763","10.1021/acs.joc.9b00926","","x-ray","1.54184","CuKα","","0.0395","0.0371","","","0.0986","0.1003","","","","","","1.0654","","","","has coordinates","222637","2020-10-21","18:00:00",""
"4034078","8.4821","0.0016","9.528","0.002","11.401","0.002","86.007","0.007","81.243","0.008","78.568","0.007","891.9","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Chen, Honghao; Ouyang, Lufeng; Liu, Jidan; Shi, Wen-Jing; Chen, Guoshu; Zheng, Liyao","Synthesis of Multisubstituted 1-Naphthoic Acids via Ru-Catalyzed C-H Activation and Double-Alkyne Annulation under Air.","The Journal of organic chemistry","2019","84","20","12755","12763","10.1021/acs.joc.9b00926","","","0.71073","MoKα","","0.1318","0.0721","","","0.1256","0.1503","","","","","","1.108","","","","has coordinates","222638","2020-10-21","18:00:00",""
"4034079","9.19","0.0009","10.8639","0.0006","17.9645","0.0009","72.864","0.005","76.772","0.006","80.111","0.006","1657.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N4 O6 S -","- C35 H24 N4 O6 S -","- C70 H48 N8 O12 S2 -","2","1","","Zhang, Zhiguo; Li, Xiang; Song, Mengmeng; Wan, Yameng; Zheng, Dan; Zhang, Guisheng; Chen, Gong","Selective Removal of Aminoquinoline Auxiliary by IBX Oxidation.","The Journal of organic chemistry","2019","84","20","12792","12799","10.1021/acs.joc.9b01362","","x-ray","1.54184","CuKα","","0.0911","0.0685","","","0.1886","0.2026","","","","","","1.063","","","","has coordinates","222639","2020-10-21","18:00:00",""
"4034080","9.4331","0.0002","12.4697","0.0004","18.5213","0.0005","90","","90","","90","","2178.62","0.1","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Sun, Manman; Wu, Haijian; Xia, Xiangyu; Chen, Weida; Wang, Zhiming; Yang, Jianguo","Asymmetric Palladium-Catalyzed C-H Functionalization Cascade for Synthesis of Chiral 3,4-Dihydroisoquinolones.","The Journal of organic chemistry","2019","84","20","12835","12847","10.1021/acs.joc.9b01372","","","0.71073","MoKα","","0.035","0.0313","","","0.0773","0.0805","","","","","","1.049","","","","has coordinates","222640","2020-10-21","18:00:00",""
"4034081","10.19794","0.00019","17.6415","0.0003","14.5974","0.0003","90","","104.874","0.0018","90","","2538.18","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O3 -","- C33 H28 O3 -","- C132 H112 O12 -","4","1","","Ramesh, Perla; Satyanarayana, Gedu","Palladium-Catalyzed Aerobic Oxidative Coupling of <i>ortho</i>-(Alkynyl)styrenes with Allylic Alcohols via 6-<i>endo-dig</i> Cyclization: Regioselective Construction of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2019","84","20","12856","12870","10.1021/acs.joc.9b01240","","x-ray","1.54184","CuKα","","0.0607","0.0447","","","0.1139","0.131","","","","","","1.0894","","","","has coordinates","222641","2020-10-21","18:00:00",""
"4034082","12.5839","0.0002","15.2015","0.0002","10.7111","0.0001","90","","100.011","0.001","90","","2017.77","0.05","296.06","0.1","296.06","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N O S -","- C27 H17 N O S -","- C108 H68 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","x-ray","1.54184","CuKα","","0.0481","0.0394","","","0.1036","0.1073","","","","","","1.115","","","","has coordinates","222642","2020-10-21","18:00:00",""
"4034083","11.8934","0.0006","14.5713","0.0006","10.7128","0.0006","90","","104.724","0.005","90","","1795.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C84 H52 N4 O4 S8 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","","0.71073","MoKα","","0.0942","0.0664","","","0.1963","0.2197","","","","","","1.028","","","","has coordinates","222643","2020-10-21","18:00:00",""
"4034084","12.1945","0.0011","14.576","0.0014","10.7976","0.0011","90","","104.165","0.01","90","","1860.9","0.3","289.1","0.4","289.1","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","x-ray","0.71073","MoKα","","0.0565","0.0441","","","0.1058","0.1127","","","","","","1.06","","","","has coordinates","222644","2020-10-21","18:00:00",""
"4034085","11.6854","0.0001","14.1168","0.0001","15.8786","0.0002","90","","105.34","0.001","90","","2526.02","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cl0 N O S -","- C29 H19 N O S -","- C116 H76 N4 O4 S4 -","4","1","","Liu, Jianming; Zhang, Yanyan; Yue, Yuanyuan; Wang, Zhixian; Shao, Huibin; Zhuo, Kelei; Lv, Qingzhang; Zhang, Zhiguo","Metal-Free Dehydrogenative Double C-H Sulfuration To Access Thieno[2,3-<i>b</i>]indoles Using Elemental Sulfur.","The Journal of organic chemistry","2019","84","20","12946","12959","10.1021/acs.joc.9b01586","","","1.54184","CuKα","","0.0422","0.0364","","","0.0971","0.1003","","","","","","1.05","","","","has coordinates","222645","2020-10-21","18:00:00",""
"4034086","13.1404","0.0004","15.1572","0.0005","17.8921","0.0006","66.287","0.002","68.975","0.002","80.956","0.002","3045.16","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 O2 P2 Pd -","- C58 H86 O2 P2 Pd -","- C116 H172 O4 P4 Pd2 -","2","1","","Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min","Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes.","The Journal of organic chemistry","2019","84","20","12913","12924","10.1021/acs.joc.9b01619","","","0.71073","MoKα","","0.0516","0.0401","","","0.0958","0.1015","","","","","","1.026","","","","has coordinates","222646","2020-10-21","18:00:00",""
"4034087","9.7128","0.0017","9.7128","0.0017","12.1114","0.0018","90","","90","","120","","989.5","0.3","173","2","173","2","","","","","","","","4","P 31","P 31","144","","","","- C17 H13 N S -","- C17 H13 N S -","- C51 H39 N3 S3 -","3","1","","Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min","Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes.","The Journal of organic chemistry","2019","84","20","12913","12924","10.1021/acs.joc.9b01619","","","0.71073","MoKα","","0.0316","0.0291","","","0.0708","0.0727","","","","","","1.05","","","","has coordinates","222648","2020-10-21","18:00:00",""
"4034088","9.2862","0.0005","6.9345","0.0004","16.3887","0.0008","90","","104.558","0.002","90","","1021.47","0.1","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.1424","0.0733","","","0.1319","0.156","","","","","","1.069","","","","has coordinates","222649","2020-10-21","18:00:00",""
"4034089","9.5579","0.0008","7.3213","0.0006","10.5955","0.0009","90","","98.392","0.003","90","","733.49","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C36 H32 Cl2 N2 O2 -","2","1","","Singh, Diksha; Kumar, Gangam Srikanth; Kapur, Manmohan","Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones.","The Journal of organic chemistry","2019","84","20","12881","12892","10.1021/acs.joc.9b01536","","","0.71073","MoKα","","0.0937","0.0549","","","0.1254","0.1516","","","","","","0.81","","","","has coordinates","222650","2020-10-21","18:00:00",""
"4034090","15.4508","0.0001","7.7143","0.0001","16.5076","0.0001","90","","92.558","0.001","90","","1965.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-CF3PhPy)","","","- C22 H22 Cl F3 N Rh -","- C22 H22 Cl F3 N Rh -","- C88 H88 Cl4 F12 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.027","0.0266","","","0.0685","0.0689","","","","","","1.096","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034091","7.3494","0.0002","15.8182","0.0003","15.8765","0.0003","90","","90","","90","","1845.71","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*RhCl(4-ClPhPy)","","","- C21 H22 Cl2 N Rh -","- C21 H22 Cl2 N Rh -","- C84 H88 Cl8 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0492","0.0466","","","0.134","0.1368","","","","","","1.085","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034092","7.9195","0.0001","12.0428","0.0001","12.3369","0.0001","92.107","0.001","106.389","0.001","103.329","0.001","1091.84","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Cp*RhCl(4-CNPhPy)","","","- C25 H25 Cl N2 Rh -","- C25 H25 Cl N2 Rh -","- C50 H50 Cl2 N4 Rh2 -","2","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0335","0.0332","","","0.0823","0.0825","","","","","","1.139","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034093","15.2807","0.0007","7.7634","0.0004","16.2421","0.0008","90","","93.03","0.004","90","","1924.11","0.16","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-MePhPy)","","","- C22 H25 Cl N Rh -","- C22 H25 Cl N Rh -","- C88 H100 Cl4 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","0.71073","MoKα","","0.034","0.0293","","","0.0667","0.0689","","","","","","1.047","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034094","11.5636","0.0001","7.5652","0.0001","24.188","0.0002","90","","99.451","0.001","90","","2087.27","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Cp*RhCl(4-iPrPhPy)","","","- C24 H29 Cl N Rh -","- C24 H29 Cl N Rh -","- C96 H116 Cl4 N4 Rh4 -","4","2","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0348","0.0342","","","0.0902","0.0907","","","","","","1.081","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034095","18.7685","0.0002","7.4531","0.0001","16.4415","0.0002","90","","100.344","0.001","90","","2262.52","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp*RhCl(4-tBuPhPy)","","","- C25 H31 Cl N Rh -","- C25 H31 Cl N Rh -","- C100 H124 Cl4 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0451","0.0421","","","0.1177","0.1203","","","","","","1.088","","","","has coordinates","222651","2020-10-21","18:00:00",""
"4034096","11.9245","0.0006","14.9405","0.0008","15.1635","0.0007","78.7988","0.0016","70.9373","0.0015","72.4842","0.0016","2421.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 F6 N O5 Ru -","- C23 H21 F6 N O5 Ru -","- C92 H84 F24 N4 O20 Ru4 -","4","2","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.71073","MoKα","","0.0653","0.0431","","","0.0808","0.0996","","","","","","1.166","","","","has coordinates,has disorder","222652","2020-10-21","18:00:00",""
"4034097","8.1949","0.0003","34.3121","0.0012","8.5478","0.0003","90","","107.134","0.0012","90","","2296.84","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 F6 N O4 Ru -","- C23 H21 F6 N O4 Ru -","- C92 H84 F24 N4 O16 Ru4 -","4","1","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.71073","MoKα","","0.0482","0.0397","","","0.07","0.0719","","","","","","1.214","","","","has coordinates","222653","2020-10-21","18:00:00",""
"4034098","10.125","0.002","13.337","0.003","22.762","0.005","86.02","0.03","89.99","0.03","79.1","0.03","3010.7","1.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F3 N -","- C20 H12 F3 N -","- C160 H96 F24 N8 -","8","4","","Kim, Jinwoo; Kim, Suhyeon; Kim, Dongwook; Chang, Sukbok","Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","84","20","13150","13158","10.1021/acs.joc.9b01548","","","0.73","synchrotron","","0.1194","0.0643","","","0.1728","0.1979","","","","","","0.91","","","","has coordinates,has disorder","222654","2020-10-21","18:00:00",""
"4034099","7.0781","0.0001","7.4819","0.0001","27.9855","0.0003","90","","90","","90","","1482.05","0.03","293","2","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H10 Cl2 O -","- C19 H10 Cl2 O -","- C76 H40 Cl8 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0737","0.0745","","","","","","1.046","","","","has coordinates","222655","2020-10-21","18:00:00",""
"4034100","7.3457","0.0001","14.9098","0.0001","17.6269","0.0002","103.534","0.001","99.819","0.001","102.03","0.001","1786.23","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N2 O -","- C49 H34 N2 O -","- C98 H68 N4 O2 -","2","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.0571","0.0518","","","0.1447","0.1505","","","","","","1.084","","","","has coordinates","222657","2020-10-21","18:00:00",""
"4034101","7.6739","0.0002","3.9538","0.0001","36.2385","0.001","90","","92.626","0.002","90","","1098.36","0.05","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C14 H9 Br O -","- C14 H9 Br O -","- C56 H36 Br4 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.0506","0.0464","","","0.1348","0.1399","","","","","","1.069","","","","has coordinates","222658","2020-10-21","18:00:00",""
"4034102","7.8786","0.0009","10.9544","0.0013","29.561","0.003","90","","90","","90","","2551.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","nagib01","nagib01","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C96 H96 F24 N8 O24 S8 -","8","1","","Nakafuku, Kohki M.; Twumasi, Raymond K.; Vanitcha, Avassaya; Wappes, Ethan A.; Namitharan, Kayambu; Bekkaye, Mathieu; Nagib, David A.","Development of an Imine Chaperone for Selective C-H Functionalization of Alcohols via Radical Relay.","The Journal of organic chemistry","2019","84","20","13065","13072","10.1021/acs.joc.9b02052","","","0.71073","MoKα","","0.0429","0.0393","","","0.0863","0.0878","","","","","","1.172","","","","has coordinates","222659","2020-10-21","18:00:00",""
"4034103","4.8454","0.0002","15.6407","0.0007","19.1694","0.0008","90","","96.044","0.003","90","","1444.69","0.11","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Ethyl-6,7-Dimethoxy-2-methyl-1-thia-4a,9-diazafluoren-4-one","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","","","0.71073","MoKα","","0.0764","0.058","","","0.1456","0.155","","","","","","1.207","","","","has coordinates","222660","2020-10-21","18:00:00",""
"4034104","7.4456","0.0004","18.9043","0.0012","17.1999","0.001","90","","90.17","0.003","90","","2420.9","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-2-methyl-1-thia-4a,9-diazafluoren-4-one","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","2","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","powder diffraction","","1.54059","CuKα~1~","","","0.08488","","","0.08488","","","0.06324","0.9859","","","","","","","has coordinates","222661","2020-10-21","18:00:00",""
"4034105","7.4512","0.0002","10.1767","0.0003","13.2955","0.0004","90","","94.481","0.002","90","","1005.1","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1-thia-4a,9-diazafluoren-4-one","","- C11 H8 N2 O S -","- C11 H8 N2 O S -","- C44 H32 N8 O4 S4 -","4","1","","Veltri, Lucia; Amuso, Roberta; Cuocci, Corrado; Vitale, Paola; Gabriele, Bartolo","Palladium-Catalyzed Cyclocarbonylation Approach to Thiadiazafluorenones: A Correction.","The Journal of organic chemistry","2019","84","13","8743","8749","10.1021/acs.joc.9b01043","","","0.71073","MoKα","","0.09","0.0789","","","0.239","0.2558","","","","","","1.09","","","","has coordinates","222662","2020-10-21","18:00:00",""
"4034106","11.188","0.003","7.6803","0.0019","26.991","0.007","90","","90","","90","","2319.3","1","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0524","0.0511","","","0.1059","0.1065","","","","","","1.236","","","","has coordinates","222663","2020-10-21","18:00:00",""
"4034107","8.431","0.002","9.685","0.002","20.623","0.006","90","","90","","90","","1684","0.7","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0499","0.0487","","","0.1208","0.1218","","","","","","1.129","","","","has coordinates","222664","2020-10-21","18:00:00",""
"4034108","8.2418","0.0005","11.7243","0.0006","8.9435","0.0006","90","","93.134","0.007","90","","862.91","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 I O6 -","- C16 H21 I O6 -","- C32 H42 I2 O12 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0468","0.0361","","","0.0614","0.0703","","","","","","1.067","","","","has coordinates","222665","2020-10-21","18:00:00",""
"4034109","7.3685","0.0004","4.8732","0.0002","13.2304","0.0007","90","","95.679","0.005","90","","472.75","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C22 H28 O4 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","1.54184","CuKα","","0.0435","0.0401","","","0.1033","0.1079","","","","","","1.044","","","","has coordinates","222666","2020-10-21","18:00:00",""
"4034110","23.5783","0.0005","23.5783","0.0005","8.8815","0.0004","90","","90","","90","","4937.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23.38 H26.75 Cl0.75 I N O7 -","- C23.373 H26.746 Cl0.747 I N O7 -","- C186.984 H213.968 Cl5.976 I8 N8 O56 -","8","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.1086","0.0463","","","0.0884","0.1111","","","","","","1.019","","","","has coordinates","222667","2020-10-21","18:00:00",""
"4034111","11.2585","0.0004","9.2137","0.0003","21.7771","0.0008","90","","101.02","0.004","90","","2217.34","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O7 -","- C20 H27 I O7 -","- C80 H108 I4 O28 -","4","2","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0458","0.0346","","","0.0621","0.0694","","","","","","1.063","","","","has coordinates","222669","2020-10-21","18:00:00",""
"4034112","7.9064","0.0003","10.648","0.0005","13.6105","0.0007","77.336","0.004","89.782","0.004","72.319","0.004","1062.72","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 I N O7 -","- C21 H22 I N O7 -","- C42 H44 I2 N2 O14 -","2","1","","Hokamp, Tobias; Wirth, Thomas","Structurally Defined α-Tetralol-Based Chiral Hypervalent Iodine Reagents.","The Journal of organic chemistry","2019","84","13","8674","8682","10.1021/acs.joc.9b01315","","","0.71073","MoKα","","0.0654","0.0514","","","0.1231","0.133","","","","","","1.076","","","","has coordinates","222670","2020-10-21","18:00:00",""
"4034113","10.9366","0.0004","10.9366","0.0004","17.1631","0.0008","90","","90","","90","","2052.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","2","P 42 b c","P 4c -2ab","106","","","","- C13 H8 -","- C13 H8 -","- C104 H64 -","8","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.1141","0.0931","","","0.2256","0.251","","","","","","1.014","","","","has coordinates,has disorder","222671","2020-10-21","18:00:00",""
"4034114","5.8515","0.0002","8.3931","0.0003","16.8969","0.0006","90","","93.307","0.001","90","","828.46","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 -","- C18 H22 N4 -","- C36 H44 N8 -","2","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.0482","0.0445","","","0.1181","0.1201","","","","","","1.166","","","","has coordinates","222672","2020-10-21","18:00:00",""
"4034115","22.3659","0.0008","9.9919","0.0004","10.6756","0.0004","90","","113.801","0.001","90","","2182.86","0.14","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N4 -","- C25 H28 N4 -","- C100 H112 N16 -","4","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","1.54178","CuKα","","0.0485","0.0437","","","0.1168","0.1208","","","","","","1.073","","","","has coordinates,has disorder","222673","2020-10-21","18:00:00",""
"4034116","8.6776","0.0003","10.6049","0.0003","10.8506","0.0004","90","","90","","90","","998.53","0.06","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 I N2 -","- C8 H11 I N2 -","- C32 H44 I4 N8 -","4","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0247","0.0211","","","0.0446","0.046","","","","","","1.053","","","","has coordinates","222674","2020-10-21","18:00:00",""
"4034117","15.4514","0.001","7.7992","0.0005","7.9194","0.0004","90","","93.005","0.002","90","","953.04","0.1","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0522","0.0463","","","0.1297","0.1345","","","","","","1.095","","","","has coordinates","222675","2020-10-21","18:00:00",""
"4034118","13.8295","0.0006","5.7329","0.0002","9.3551","0.0003","90","","102.868","0.002","90","","723.07","0.05","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br4 -","- C13 H8 Br4 -","- C26 H16 Br8 -","2","0.5","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0229","0.0184","","","0.0394","0.0411","","","","","","1.054","","","","has coordinates","222676","2020-10-21","18:00:00",""
"4034119","53.283","0.002","7.945","0.0002","20.8497","0.0007","90","","91.672","0.004","90","","8822.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H45 Cl N4 O6 -","- C56.5 H45 Cl N4 O6 -","- C452 H360 Cl8 N32 O48 -","8","1","","Zhu, Shuai; Chen, Chunqi; Duan, Kang; Sun, Yun-Ming; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian","Cascade [1,5]-Hydride Transfer/Cyclization for Synthesis of [3,4]-Fused Oxindoles.","The Journal of organic chemistry","2019","84","13","8440","8448","10.1021/acs.joc.9b00489","","","1.54184","CuKα","","0.0955","0.0725","","","0.2203","0.2434","","","","","","1.039","","","","has coordinates","222677","2020-10-21","18:00:00",""
"4034120","12.582","0.0008","13.6273","0.0006","15.1251","0.001","90","","110.973","0.007","90","","2421.5","0.3","299.42","0.1","299.42","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C116 H92 N4 O12 S4 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1159","0.0637","","","0.1287","0.166","","","","","","1.068","","","","has coordinates","222678","2020-10-21","18:00:00",""
"4034121","11.2893","0.0008","9.7656","0.0007","20.2278","0.0018","90","","104.025","0.009","90","","2163.6","0.3","291.4","0.1","291.4","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C116 H88 O8 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1094","0.0649","","","0.1411","0.1768","","","","","","1.062","","","","has coordinates","222679","2020-10-21","18:00:00",""
"4034122","13.1392","0.0008","9.4856","0.0005","15.3103","0.0011","90","","96.132","0.007","90","","1897.3","0.2","293.35","0.1","293.35","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","","0.71073","MoKα","","0.1283","0.0747","","","0.1588","0.1969","","","","","","0.993","","","","has coordinates","222680","2020-10-21","18:00:00",""
"4034123","12.3814","0.0006","10.2462","0.0006","26.6255","0.0012","90","","100.897","0.005","90","","3316.9","0.3","292.82","0.1","292.82","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 O2 -","- C22 H15 O2 -","- C176 H120 O16 -","8","2","","Zhou, Ni-Ni; Ning, Si-Si; Tong, Xiao-Juan; Luo, Ting-Ting; Yang, Jin; Li, Lin-Qiang; Fan, Ming-Jin; Yang, De-Suo; Zhu, Hai-Tao","Brønsted-Acid-Catalyzed Synthesis of 3-Alkoxy and 3-Sulfamido Indanones via a Tandem Cyclization.","The Journal of organic chemistry","2019","84","13","8497","8508","10.1021/acs.joc.9b00791","","x-ray","0.71073","MoKα","","0.1774","0.1127","","","0.2058","0.2356","","","","","","1.088","","","","has coordinates,has disorder","222681","2020-10-21","18:00:00",""
"4034124","9.0034","0.0007","15.0541","0.0013","17.4228","0.0014","90","","90","","90","","2361.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 B O P -","- C24 H36 B O P -","- C96 H144 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0915","0.0483","","","0.0952","0.1093","","","","","","1.043","","","","has coordinates","222682","2020-10-21","18:00:00",""
"4034125","10.5199","0.0009","14.3662","0.0012","15.8505","0.0014","90","","90","","90","","2395.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 O2 P -","- C26 H37 O2 P -","- C104 H148 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1025","0.05","","","0.0889","0.1031","","","","","","1.008","","","","has coordinates","222683","2020-10-21","18:00:00",""
"4034126","16.4461","0.0014","10.0756","0.0009","19.0236","0.0017","90","","91.813","0.001","90","","3150.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C132 H180 B6 O6 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0886","0.0493","","","0.0884","0.1002","","","","","","0.975","","","","has coordinates","222684","2020-10-21","18:00:00",""
"4034127","15.7436","0.0013","15.7436","0.0013","19.151","0.003","90","","90","","120","","4110.8","0.8","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H33 Cl2 O P Pd -","- C24 H33 Cl2 O P Pd -","- C144 H198 Cl12 O6 P6 Pd6 -","6","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0438","0.0294","","","0.0602","0.0654","","","","","","1.071","","","","has coordinates","222685","2020-10-21","18:00:00",""
"4034128","12.7166","0.0013","25.022","0.002","15.1067","0.0015","90","","90.917","0.002","90","","4806.3","0.8","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H66 Cl2 O2 P2 Pd -","- C48 H66 Cl2 O2 P2 Pd -","- C192 H264 Cl8 O8 P8 Pd4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1902","0.103","","","0.2287","0.2675","","","","","","1.103","","","","has coordinates","222686","2020-10-21","18:00:00",""
"4034129","9.6073","0.0009","19.9161","0.0018","11.0248","0.0011","90","","102.281","0.002","90","","2061.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H54 Cl2 O2 P2 Pd -","- C44 H54 Cl2 O2 P2 Pd -","- C88 H108 Cl4 O4 P4 Pd2 -","2","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0407","0.0327","","","0.0724","0.0771","","","","","","1.055","","","","has coordinates","222687","2020-10-21","18:00:00",""
"4034130","13.5362","0.0011","13.5362","0.0011","10.578","0.0009","90","","90","","90","","1938.2","0.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H27 O P -","- C22 H27 O P -","- C88 H108 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.078","0.0494","","","0.1312","0.1537","","","","","","1.051","","","","has coordinates","222688","2020-10-21","18:00:00",""
"4034131","9.0198","0.0007","16.1608","0.0012","16.3197","0.0013","90","","102.423","0.003","90","","2323.2","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 B O3 P S -","- C22 H30 B O3 P S -","- C88 H120 B4 O12 P4 S4 -","4","2","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.073","0.045","","","0.1015","0.1142","","","","","","1.076","","","","has coordinates","222689","2020-10-21","18:00:00",""
"4034132","8.5527","0.0007","13.8487","0.0011","18.3984","0.0016","90","","90","","90","","2179.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B O2 P -","- C22 H32 B O2 P -","- C88 H128 B4 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.061","0.04","","","0.086","0.0956","","","","","","1.076","","","","has coordinates","222690","2020-10-21","18:00:00",""
"4034133","10.2807","0.0009","22.03","0.002","19.2697","0.0018","90","","103.151","0.004","90","","4249.8","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 B O P -","- C22 H30 B O P -","- C176 H240 B8 O8 P8 -","8","4","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1756","0.0627","","","0.0608","0.0713","","","","","","0.963","","","","has coordinates","222691","2020-10-21","18:00:00",""
"4034134","7.587","0.0007","17.8366","0.0014","19.0669","0.0015","90","","90","","90","","2580.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 B O P -","- C26 H40 B O P -","- C104 H160 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1438","0.0618","","","0.1376","0.1686","","","","","","1.006","","","","has coordinates","222692","2020-10-21","18:00:00",""
"4034135","10.0256","0.0009","13.1759","0.0011","24.608","0.002","90","","97.774","0.002","90","","3220.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29.66667 O2.33333 P -","- C23 H29.6667 O2.33333 P -","- C138 H178 O14 P6 -","6","3","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1164","0.0593","","","0.1005","0.1216","","","","","","1.069","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034136","19.6012","0.0017","10.1533","0.001","9.6226","0.0007","90","","91.135","0.005","90","","1914.7","0.3","199","2","199","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 O4 P -","- C18 H27 O4 P -","- C72 H108 O16 P4 -","4","1","","Gnawali, Giri Raj; Rath, Nigam P.; Spilling, Christopher D.","Synthesis of Phostones via the Palladium-Catalyzed Ring Opening of Epoxy Vinyl Phosphonates.","The Journal of organic chemistry","2019","84","13","8724","8730","10.1021/acs.joc.9b00905","","","0.71073","MoKα","","0.1024","0.0567","","","0.1315","0.1565","","","","","","1.018","","","","has coordinates,has disorder","222694","2020-10-21","18:00:00",""
"4034137","15.323","0.004","12.952","0.004","16.534","0.004","90","","90.376","0.007","90","","3281.3","1.5","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C52 H32 -","- C52 H32 -","- C208 H128 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.1985","0.0664","","","0.1413","0.196","","","","","","0.929","","","","has coordinates","222695","2020-10-21","18:00:00",""
"4034138","26.541","0.006","8.0612","0.0019","14.582","0.003","90","","103.98","0.006","90","","3027.4","1.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 F8 -","- C48 H16 F8 -","- C192 H64 F32 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.2089","0.1676","","","0.4476","0.4729","","","","","","1.897","","","","has coordinates","222696","2020-10-21","18:00:00",""
"4034139","10.9509","0.001","14.4026","0.001","11.1531","0.0008","90","","115.094","0.005","90","","1593","0.2","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0604","0.0421","","","0.0984","0.1098","","","","","","1.031","","","","has coordinates","222697","2020-10-21","18:00:00",""
"4034140","4.0737","0.0006","14.151","0.002","14.771","0.002","66.388","0.003","86.076","0.004","82.825","0.004","773.95","0.19","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H20 Cl4 -","- C48 H20 Cl4 -","- C48 H20 Cl4 -","1","0.5","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0777","0.0644","","","0.164","0.1787","","","","","","1.079","","","","has coordinates","222698","2020-10-21","18:00:00",""
"4034141","9.9545","0.0004","13.0972","0.0005","14.456","0.0006","113.902","0.002","103.281","0.003","92.305","0.002","1658.07","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C104 H64 O8 -","4","2","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0913","0.0628","","","0.1788","0.2065","","","","","","1.04","","","","has coordinates","222699","2020-10-21","18:00:00",""
"4034142","12.5946","0.0003","7.8888","0.0002","14.168","0.0003","90","","90.068","0.001","90","","1407.68","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F2 -","- C24 H10 F2 -","- C96 H40 F8 -","4","1","","Kumar, Sushil; Pola, Someshwar; Huang, Chih-Wei; Islam, Md Minarul; Venkateswarlu, Samala; Tao, Yu-Tai","Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications.","The Journal of organic chemistry","2019","84","13","8562","8570","10.1021/acs.joc.9b00802","","","0.71073","MoKα","","0.0656","0.0583","","","0.176","0.1836","","","","","","1.075","","","","has coordinates","222700","2020-10-21","18:00:00",""
"4034143","9.9243","0.0005","11.2351","0.0005","11.9359","0.0006","62.2087","0.0019","73.887","0.002","78.909","0.002","1127.99","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","","Tamilarasan, V. John; Srinivasan, Kannupal","SnCl<sub>4</sub>-Promoted [3+2] Annulation of γ-Butyrolactone-Fused Donor-Acceptor Cyclopropanes with Nitriles: Access to γ-Butyrolactone-Fused 1-Pyrrolines.","The Journal of organic chemistry","2019","84","13","8782","8787","10.1021/acs.joc.9b01155","","","0.71073","MoKα","","0.0869","0.0565","","","0.1491","0.1728","","","","","","1.033","","","","has coordinates","222701","2020-10-21","18:00:00",""
"4034144","10.3107","0.0006","10.3829","0.0005","17.4771","0.001","104.728","0.002","100.754","0.002","96.778","0.002","1750.59","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","2","","Tamilarasan, V. John; Srinivasan, Kannupal","SnCl<sub>4</sub>-Promoted [3+2] Annulation of γ-Butyrolactone-Fused Donor-Acceptor Cyclopropanes with Nitriles: Access to γ-Butyrolactone-Fused 1-Pyrrolines.","The Journal of organic chemistry","2019","84","13","8782","8787","10.1021/acs.joc.9b01155","","","0.71073","MoKα","","0.0502","0.0425","","","0.1105","0.116","","","","","","1.03","","","","has coordinates","222702","2020-10-21","18:00:00",""
"4034145","7.6613","0.0013","11.554","0.002","15.043","0.002","111.486","0.006","95.884","0.007","99.339","0.007","1203.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0617","0.0446","","","0.1202","0.131","","","","","","0.957","","","","has coordinates","222703","2020-10-21","18:00:00",""
"4034146","9.113","0.0003","12.457","0.0005","16.989","0.0007","90","","100.217","0.002","90","","1898.02","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br N2 O3 -","- C22 H15 Br N2 O3 -","- C88 H60 Br4 N8 O12 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0744","0.0397","","","0.0997","0.117","","","","","","0.958","","","","has coordinates","222704","2020-10-21","18:00:00",""
"4034147","10.4313","0.0012","9.4929","0.001","14.4559","0.0017","90","","106.149","0.004","90","","1375","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0578","0.0465","","","0.1108","0.1182","","","","","","1.125","","","","has coordinates","222705","2020-10-21","18:00:00",""
"4034148","9.2227","0.0007","8.7759","0.0007","15.2553","0.0013","90","","95.299","0.003","90","","1229.45","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","","Beesu, Mallesh; Mehta, Goverdhan","Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.","The Journal of organic chemistry","2019","84","13","8731","8742","10.1021/acs.joc.9b00950","","","0.71073","MoKα","","0.0487","0.0386","","","0.0996","0.1062","","","","","","1.055","","","","has coordinates","222706","2020-10-21","18:00:00",""
"4034149","10.9214","0.0003","12.1231","0.0004","13.9512","0.0004","90","","90","","90","","1847.16","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H17 F3 O4 S2 -","- C18 H17 F3 O4 S2 -","- C72 H68 F12 O16 S8 -","4","1","","Chandu, Palasetty; Ghosh, Krishna Gopal; Sureshkumar, Devarajulu","Metal-Free Visible-Light-Promoted Trifluoromethylation of Vinylcyclopropanes Using Pyrylium Salt as a Photoredox Catalyst.","The Journal of organic chemistry","2019","84","13","8771","8781","10.1021/acs.joc.9b01033","","x-ray","0.71073","MoKα","","0.0331","0.0326","","","0.0913","0.0918","","","","","","1.099","","","","has coordinates","222707","2020-10-21","18:00:00",""
"4034150","10.6391","0.0003","12.2077","0.0004","14.2342","0.0004","98.516","0.002","96.25","0.001","115.038","0.001","1625.89","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 B2 F8 N6 O Ru -","- C28 H26 B2 F8 N6 O Ru -","- C56 H52 B4 F16 N12 O2 Ru2 -","2","1","","Joarder, Dripta De; Gayen, Subrata; Sarkar, Rajarshi; Bhattacharya, Rajarshi; Roy, Sima; Maiti, Dilip K.","(Ar-tpy)Ru<sup>II</sup>(ACN)<sub>3</sub>: A Water-Soluble Catalyst for Aldehyde Amidation, Olefin Oxo-Scissoring, and Alkyne Oxygenation.","The Journal of organic chemistry","2019","84","13","8468","8480","10.1021/acs.joc.9b00487","","","0.71073","MoKα","","0.0548","0.0461","","","0.1426","0.1499","","","","","","1.125","","","","has coordinates","222708","2020-10-21","18:00:00",""
"4034151","22.9027","0.0014","11.4163","0.0006","10.272","0.0006","90","","93.066","0.004","90","","2681.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 B F2 N2 O2 -","- C35 H25 B F2 N2 O2 -","- C140 H100 B4 F8 N8 O8 -","4","0.5","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78238","Synchrotron","","0.0734","0.0401","","","0.0858","0.1185","","","","","","1.155","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034152","19.7722","0.0009","21.744","0.0009","10.5225","0.0005","90","","104.462","0.003","90","","4380.6","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B Cl6 F2 N2 O8 -","- C43 H39 B Cl6 F2 N2 O8 -","- C172 H156 B4 Cl24 F8 N8 O32 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78192","Synchrotron","","0.1579","0.0753","","","0.178","0.2195","","","","","","0.938","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034153","20.4379","0.0013","4.9001","0.0004","29.209","0.002","90","","103.516","0.005","90","","2844.2","0.4","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.12 H25.24 B F2 N2 O2.71 -","- C37.13 H25.26 B F2 N2 O2.71 -","- C148.52 H101.04 B4 F8 N8 O10.84 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78228","Synchrotron","","0.1412","0.0789","","","0.1943","0.2676","","","","","","1.09","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034154","10.0677","0.0018","15.21","0.003","16.893","0.003","107.238","0.007","105.281","0.007","103.689","0.007","2239.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H63 B Cl F2 N3 O3 -","- C51 H63 B Cl F2 N3 O3 -","- C102 H126 B2 Cl2 F4 N6 O6 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7022","Synchrotron","","0.097","0.0618","","","0.1495","0.1696","","","","","","0.966","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034155","27.017","0.006","13.446","0.003","14.381","0.003","90","","90","","90","","5224","2","90","2","90","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C64 H56 B Cl4 F2 N5 O2 -","- C64 H56 B Cl4 F2 N5 O2 -","- C256 H224 B4 Cl16 F8 N20 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1549","0.0692","","","0.1396","0.1838","","","","","","0.968","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034156","13.714","0.005","17.058","0.007","18.026","0.007","90","","93.14","0.005","90","","4211","3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 B Cl F2 N3 O2 -","- C51 H57 B Cl F2 N3 O2 -","- C204 H228 B4 Cl4 F8 N12 O8 -","4","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.7829","Synchrotron","","0.1518","0.0905","","","0.2385","0.3302","","","","","","1.149","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034157","11.483","0.0005","14.3961","0.0006","17.1745","0.0007","100.007","0.003","96.081","0.003","110.114","0.003","2582.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H69 B Cl F2 N3 O8 -","- C57 H69 B Cl F2 N3 O8 -","- C114 H138 B2 Cl2 F4 N6 O16 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.78229","Synchrotron","","0.0587","0.0449","","","0.0972","0.1215","","","","","","1.208","","","","has coordinates","222709","2020-10-21","18:00:00",""
"4034158","13.0397","0.0014","13.3327","0.0015","24.376","0.003","102.779","0.007","91.159","0.006","108.947","0.008","3889.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H100 B Cl4 F2 N5 O8 -","- C88 H100 B Cl4 F2 N5 O8 -","- C176 H200 B2 Cl8 F4 N10 O16 -","2","1","","Sugiura, Shinya; Matsuda, Wakana; Zhang, Wanying; Seki, Shu; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules.","The Journal of organic chemistry","2019","84","14","8886","8898","10.1021/acs.joc.9b00754","","","0.4307","Synchrotron","","0.103","0.0593","","","0.1389","0.1582","","","","","","1.023","","","","has coordinates,has disorder","222709","2020-10-21","18:00:00",""
"4034159","14.418","0.004","18.761","0.006","6.767","0.002","90","","90","","90","","1830.4","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","1","","Liu, Jian-Quan; Chen, Xinyi; Shatskiy, Andrey; Kärkäs, Markus D; Wang, Xiang-Shan","Silver-Mediated Synthesis of Substituted Benzofuran- and Indole-Pyrroles via Sequential Reaction of <i>ortho</i>-Alkynylaromatics with Methylene Isocyanides.","The Journal of organic chemistry","2019","84","14","8998","9006","10.1021/acs.joc.9b00528","","","0.71073","MoKα","","0.0519","0.0416","","","0.0919","0.096","","","","","","1.069","","","","has coordinates","222710","2020-10-21","18:00:00",""
"4034160","9.1245","0.0001","23.3744","0.0001","14.4458","0.0001","90","","102.969","0.001","90","","3002.4","0.04","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","2","","Matsuoka, Junpei; Kumagai, Hiroshi; Inuki, Shinsuke; Oishi, Shinya; Ohno, Hiroaki","Construction of the Pyrrolo[2,3-<i>d</i>]carbazole Core of Spiroindoline Alkaloids by Gold-Catalyzed Cascade Cyclization of Ynamide.","The Journal of organic chemistry","2019","84","14","9358","9363","10.1021/acs.joc.9b01149","","x-ray","1.54184","CuKα","","0.0409","0.0398","","","0.1042","0.1048","","","","","","1.049","","","","has coordinates","222711","2020-10-21","18:00:00",""
"4034161","10.6851","0.0004","11.3861","0.0005","11.7403","0.0005","65.531","0.004","64.231","0.004","76.602","0.004","1168.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Xing, Siyang; Xia, Hanyu; Guo, Junshuo; Zou, Chenchen; Gao, Tingxuan; Wang, Kui; Zhu, Bolin; Pei, Meiqi; Bai, Mengpei","Diastereoselective Construction of 2-Aminoindanones via an In(OTf)<sub>3</sub>-Catalyzed Domino Reaction.","The Journal of organic chemistry","2019","84","14","8984","8997","10.1021/acs.joc.9b00876","","x-ray","1.54184","CuKα","","0.0585","0.0523","","","0.1471","0.1572","","","","","","0.985","","","","has coordinates,has disorder","222712","2020-10-21","18:00:00",""
"4034162","7.5297","0.0006","18.5627","0.0015","18.726","0.0015","90","","90","","90","","2617.4","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54184","CuKα","","0.0279","0.0278","","","0.071","0.0711","","","","","","1.074","","","","has coordinates","222713","2020-10-21","18:00:00",""
"4034163","7.51","0.005","35.163","0.011","10.914","0.003","90","","91.743","0.014","90","","2881","2","220","","220","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O8 -","- C32 H38 O8 -","- C128 H152 O32 -","4","2","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54178","CuKα","","0.0684","0.0473","","","0.1044","0.1157","","","","","","1.024","","","","has coordinates,has disorder","222713","2020-10-21","18:00:00",""
"4034164","19.3947","0.0006","17.2114","0.0005","25.7129","0.0008","90","","90","","90","","8583.2","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H20 O2 -","- C81 H20 O2 -","- C648 H160 O16 -","8","1","","Yamada, Michio; Takizawa, Mayu; Nukatani, Yoko; Suzuki, Mitsuaki; Maeda, Yutaka","Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl Carboxylates.","The Journal of organic chemistry","2019","84","14","9025","9033","10.1021/acs.joc.9b00932","","","0.71073","MoKα","","0.101","0.0597","","","0.1391","0.177","","","","","","1.054","","","","has coordinates,has disorder","222714","2020-10-21","18:00:00",""
"4034165","33.5971","0.0016","33.5971","0.0016","33.5971","0.0016","90","","90","","90","","37923","3","150","0.1","150","0.1","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C56 H58 O13 -","- C56 H58 O13 -","- C1344 H1392 O312 -","24","1","","Baydoun, Orsola; De Rycke, Nicolas; Léonce, Estelle; Boutin, Céline; Berthault, Patrick; Jeanneau, Erwann; Brotin, Thierry","Synthesis of Cryptophane-223-Type Derivatives with Dual Functionalization.","The Journal of organic chemistry","2019","84","14","9127","9137","10.1021/acs.joc.9b01093","","x-ray","1.54184","CuKα","","0.1103","0.0778","","0.1891","0.1422","0.1891","","","","","","0.9952","","","","has coordinates","222715","2020-10-21","18:00:00",""
"4034166","10.4602","0.0015","8.879","0.0013","18.151","0.003","90","","106.568","0.004","90","","1615.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 N O3 S -","- C13 H24 F3 N O3 S -","- C52 H96 F12 N4 O12 S4 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0713","0.0466","","","0.105","0.1158","","","","","","1.066","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034167","20.03","0.0012","8.5887","0.0003","28.2407","0.0018","90","","98.171","0.005","90","","4809","0.5","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 F3 N3 O3 S -","- C20 H36 F3 N3 O3 S -","- C160 H288 F24 N24 O24 S8 -","8","2","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1482","0.0606","","","0.1562","0.1936","","","","","","0.842","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034168","8.7974","0.0018","10.427","0.002","15.597","0.003","73.43","0.03","77.51","0.03","87.06","0.03","1338.8","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 F3 N3 O3 S -","- C24 H44 F3 N3 O3 S -","- C48 H88 F6 N6 O6 S2 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1596","0.0745","","","0.1785","0.2073","","","","","","1.02","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034169","11.416","0.002","14.042","0.003","12.413","0.003","90","","95.89","0.03","90","","1979.3","0.7","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N3 -","- C20 H37 N3 -","- C80 H148 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.1269","0.0576","","","0.1303","0.1566","","","","","","0.912","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034170","15.158","0.004","7.8326","0.0018","17.317","0.006","90","","113.75","0.03","90","","1881.9","1","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 N3 -","- C19 H35 N3 -","- C76 H140 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.1457","0.09","","","0.1857","0.2073","","","","","","1.017","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034171","9.6837","0.0006","23.2094","0.0017","9.7883","0.0007","90","","94.731","0.006","90","","2192.5","0.3","120.02","0.1","120.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N3 -","- C22 H41 N3 -","- C88 H164 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0673","0.0434","","","0.1013","0.1104","","","","","","1.025","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034172","7.529","0.0015","11.82","0.002","14","0.003","90","","99.35","0.03","90","","1229.3","0.4","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 F6 N3 O6 S2 -","- C17 H27 F6 N3 O6 S2 -","- C34 H54 F12 N6 O12 S4 -","2","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","","0.71073","MoKα","","0.0581","0.0479","","","0.1194","0.1263","","","","","","1.069","","","","has coordinates,has disorder","222716","2020-10-21","18:00:00",""
"4034173","13.3215","0.0017","14.6644","0.0009","14.9986","0.0009","112.115","0.002","102.089","0.002","101.858","0.002","2520.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 F3 N3 O3 S -","- C22 H40 F3 N3 O3 S -","- C88 H160 F12 N12 O12 S4 -","4","2","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.0748","0.0532","","","0.1271","0.1386","","","","","","1.067","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034174","15.3035","0.0009","9.3897","0.0004","12.7018","0.0006","90","","97.535","0.005","90","","1809.43","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 -","- C18 H33 N3 -","- C72 H132 N12 -","4","1","","Mandal, Debdeep; Dolai, Ramapada; Kumar, Ravi; Suhr, Simon; Chrysochos, Nicolas; Kalita, Pankaj; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Sarkar, Biprajit; Chandrasekhar, Vadapalli; Jana, Anukul","Influence of <i>N</i>-Substitution on the Formation and Oxidation of NHC-CAAC-Derived Triazaalkenes.","The Journal of organic chemistry","2019","84","14","8899","8909","10.1021/acs.joc.9b00774","","x-ray","0.71073","MoKα","","0.081","0.0606","","","0.1343","0.1425","","","","","","1.039","","","","has coordinates","222716","2020-10-21","18:00:00",""
"4034175","10.5457","0.0003","12.63","0.0004","12.6514","0.0004","90","","106.302","0.001","90","","1617.32","0.09","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br N2 O5 S -","- C16 H13 Br N2 O5 S -","- C64 H52 Br4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhang, Hong; Chen, Xue-Lian; Qu, Ya-Li; Zhu, Qianqian; Feng, Chen-Guo; Chen, Ya-Jing","Regio- and Diastereoselective Access to 4-Imidazolidinones via an Aza-Mannich Initiated Cyclization of Sulfamate-Derived Cyclic Imines with α-Halo Hydroxamates.","The Journal of organic chemistry","2019","84","14","9179","9187","10.1021/acs.joc.9b01128","","","1.54178","cukα","","0.0331","0.0316","","","0.1093","0.1125","","","","","","0.956","","","","has coordinates","222717","2020-10-21","18:00:00",""
"4034176","8.2432","0.0002","30.8623","0.0009","7.5935","0.0002","90","","114.179","0.001","90","","1762.34","0.08","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br N2 O5 S -","- C17 H15 Br N2 O5 S -","- C68 H60 Br4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhang, Hong; Chen, Xue-Lian; Qu, Ya-Li; Zhu, Qianqian; Feng, Chen-Guo; Chen, Ya-Jing","Regio- and Diastereoselective Access to 4-Imidazolidinones via an Aza-Mannich Initiated Cyclization of Sulfamate-Derived Cyclic Imines with α-Halo Hydroxamates.","The Journal of organic chemistry","2019","84","14","9179","9187","10.1021/acs.joc.9b01128","","","1.54178","cukα","","0.0385","0.0384","","","0.1007","0.1008","","","","","","1.162","","","","has coordinates","222718","2020-10-21","18:00:00",""
"4034177","13.58","0.003","15.99","0.003","16.32","0.003","75.75","0.03","83.99","0.03","65.84","0.03","3133.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","- C121.8 H145 Cl6.6 N24 O19.8 S3.8 -","1","0.5","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.0983","0.0726","","","0.1689","0.1893","","","","","","1.032","","","","has coordinates,has disorder","222719","2020-10-21","18:00:00",""
"4034178","48.205","0.01","10.714","0.002","23.955","0.005","90","","117.53","0.03","90","","10971","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C230 H280 N48 O58 S7 -","- C230 H280 N48 O58 S7 -","- C460 H560 N96 O116 S14 -","2","0.25","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.80246","synchrotron","","0.0905","0.0699","","","0.1652","0.1797","","","","","","1.045","","","","has coordinates,has disorder","222720","2020-10-21","18:00:00",""
"4034179","11.232","0.002","11.984","0.002","12.359","0.003","93.83","0.03","115.42","0.03","94.22","0.03","1489.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72.6 N12 O10.3 S2 -","- C60 H72.6 N12 O10.3 S2 -","- C60 H72.6 N12 O10.3 S2 -","1","0.5","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.1093","0.0651","","","0.1501","0.172","","","","","","1.003","","","","has coordinates,has disorder","222721","2020-10-21","18:00:00",""
"4034180","14.357","0.003","15.749","0.003","30.441","0.006","84.29","0.03","77.01","0.03","63.61","0.03","6008","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C119.75 H153.5 N24 O25 -","- C119.75 H153.5 N24 O25 -","- C239.5 H307 N48 O50 -","2","1","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Zerson, Mario; Magerle, Robert; Khrustalev, Victor N.; Kataev, Evgeny A.","Conformational Selection in Anion Recognition: cGMP-Selective Binding by a Naphthalimide-Functionalized Amido-Amine Macrocycle.","The Journal of organic chemistry","2019","84","14","9034","9043","10.1021/acs.joc.9b00947","","","0.9699","synchrotron","","0.1506","0.0909","","","0.1765","0.2044","","","","","","1.023","","","","has coordinates,has disorder","222722","2020-10-21","18:00:00",""
"4034181","9.185","0.0005","10.8127","0.0006","13.1573","0.0007","66.694","0.002","82.606","0.002","70.197","0.002","1129.1","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O3 S -","- C27 H24 N2 O3 S -","- C54 H48 N4 O6 S2 -","2","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0491","0.0442","","","0.1218","0.129","","","","","","1.06","","","","has coordinates","222723","2020-10-21","18:00:00",""
"4034182","9.2355","0.0018","10.511","0.0019","11.803","0.002","101.008","0.004","110.17","0.004","93.425","0.004","1045.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C52 H44 N4 O4 S2 -","2","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0456","0.0389","","","0.1184","0.1304","","","","","","0.844","","","","has coordinates","222724","2020-10-21","18:00:00",""
"4034183","12.69","0.009","11.602","0.008","16.618","0.011","90","","95.24","0.01","90","","2436","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F3 N O2 S -","- C27 H20 F3 N O2 S -","- C108 H80 F12 N4 O8 S4 -","4","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.1562","0.0811","","","0.2393","0.2925","","","","","","1.04","","","","has coordinates","222725","2020-10-21","18:00:00",""
"4034184","6.1363","0.0017","10.652","0.003","20.542","0.006","90","","90.161","0.003","90","","1342.7","0.7","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O -","- C19 H14 O -","- C76 H56 O4 -","4","1","","Jash, Moumita; De, Sukanya; Pramanik, Subhendu; Chowdhury, Chinmay","Palladium(II)-Catalyzed Cascade Reactions of Ene-Ynes Tethered to Cyano/Aldehyde: Access to Naphtho[1,2-<i>b</i>]furans and Benzo[<i>g</i>]indoles.","The Journal of organic chemistry","2019","84","14","8959","8975","10.1021/acs.joc.9b00861","","","0.71073","MoKα","","0.0463","0.0381","","","0.1003","0.109","","","","","","1.039","","","","has coordinates","222726","2020-10-21","18:00:00",""
"4034185","20.9298","0.0019","19.076","0.002","9.3341","0.001","90","","90","","90","","3726.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","CPC459F3a","","- C52 H37 N5 -","- C52 H37 N5 -","- C208 H148 N20 -","4","0.5","","Pérez-Caaveiro, Cristina; Oliva, María Moreno; López Navarrete, Juan T; Pérez Sestelo, José; Martínez, M Montserrat; Sarandeses, Luis A.","Synthesis of D-A-A and D-A-D Pyrimidine π-Systems Using Triorganoindium Reagents: Optical, Vibrational, and Electrochemical Studies.","The Journal of organic chemistry","2019","84","14","8870","8885","10.1021/acs.joc.9b00643","","x-ray","0.71073","MoKα","","0.1394","0.0819","","","0.152","0.1725","","","","","","1.138","","","","has coordinates","222727","2020-10-21","18:00:00",""
"4034186","8.96693","0.00009","16.838","0.0002","18.4036","0.0003","90","","90","","90","","2778.67","0.06","139.1","0.2","139.1","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O4 Si -","- C29 H36 N2 O4 Si -","- C116 H144 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","x-ray","1.54184","CuKα","","0.0582","0.0552","","","0.1337","0.1371","","","","","","1.054","","","","has coordinates","222728","2020-10-21","18:00:00",""
"4034187","18.8993","0.0018","14.9288","0.0011","9.7511","0.0008","90","","97.083","0.009","90","","2730.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F N2 O4 Si -","- C28 H33 F N2 O4 Si -","- C112 H132 F4 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","","1.54184","CuKα","","0.1292","0.0682","","","0.1447","0.1867","","","","","","1.005","","","","has coordinates,has disorder","222729","2020-10-21","18:00:00",""
"4034188","27.237","0.003","10.8955","0.001","20.456","0.002","90","","121.681","0.002","90","","5165.9","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 -","- C31 H22 I2 -","- C248 H176 I16 -","8","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.0482","0.0375","","","0.0941","0.1003","","","","","","1.038","","","","has coordinates,has disorder","222730","2020-10-21","18:00:00",""
"4034189","8.5401","0.0002","12.1446","0.0003","13.2015","0.0004","109.412","0.001","99.518","0.001","91.844","0.001","1267.99","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 I2 O S -","- C29 H22 I2 O S -","- C58 H44 I4 O2 S2 -","2","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.0428","0.0346","","","0.0817","0.0872","","","","","","1.074","","","","has coordinates,has disorder","222731","2020-10-21","18:00:00",""
"4034190","9.9984","0.0013","13.1822","0.0018","17.804","0.002","90","","105.23","0.003","90","","2264.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 O -","- C31 H24 O -","- C124 H96 O4 -","4","1","","Li, Quanzhe; Yu, Liuzhu; Wei, Yin; Shi, Min","Synthesis of Diiodinated All-Carbon 3,3'-Diphenyl-1,1'-spirobiindene Derivatives via Cascade Enyne Cyclization and Electrophilic Aromatic Substitution.","The Journal of organic chemistry","2019","84","14","9282","9296","10.1021/acs.joc.9b01418","","","0.71073","MoKα","","0.1055","0.0594","","","0.1232","0.1428","","","","","","1.016","","","","has coordinates","222732","2020-10-21","18:00:00",""
"4034191","12.2386","0.0002","6.0866","0.0001","16.4889","0.0002","90","","92.612","0.001","90","","1227.01","0.03","99.97","0.1","99.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","x-ray","1.54184","CuKα","","0.0474","0.044","","","0.1137","0.1165","","","","","","1.048","","","","has coordinates","222733","2020-10-21","18:00:00",""
"4034192","12.2263","0.0002","6.0874","0.0001","16.4983","0.0002","90","","92.608","0.001","90","","1226.64","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","x-ray","1.54184","CuKα","","0.0428","0.0395","","","0.0965","0.0997","","","","","","1.0307","","","","has coordinates","222734","2020-10-21","18:00:00",""
"4034193","13.49","0.004","5.4363","0.0016","17.013","0.005","90","","100.674","0.012","90","","1226.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","","Sigalov, Mark V.; Afonin, Andrey V.; Sterkhova, Irina V.; Shainyan, Bagrat A.","2<i>H</i>-Indazole Tautomers Stabilized by Intra- and Intermolecular Hydrogen Bonds.","The Journal of organic chemistry","2019","84","14","9075","9086","10.1021/acs.joc.9b01021","","","0.71073","MoKα","","0.1065","0.0509","","","0.102","0.12","","","","","","1.027","","","","has coordinates,has disorder","222735","2020-10-21","18:00:00",""
"4034194","16.601","0.003","12.379","0.003","5.5695","0.0011","90","","90","","90","","1144.6","0.4","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 S -","- C14 H10 N2 S -","- C56 H40 N8 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.1031","","","","","","1.094","","","","has coordinates","222736","2020-10-21","18:00:00",""
"4034195","11.113","0.002","7.1958","0.0014","12.597","0.003","90","","93.19","0.03","90","","1005.8","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C44 H32 N16 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0354","0.0316","","","0.0859","0.0884","","","","","","1.036","","","","has coordinates","222737","2020-10-21","18:00:00",""
"4034196","7.762","0.0016","10.205","0.002","10.415","0.002","111.03","0.03","106.7","0.03","96.14","0.03","716.9","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C32 H24 N4 S4 -","2","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0479","0.0331","","","0.0821","0.0879","","","","","","1.04","","","","has coordinates","222738","2020-10-21","18:00:00",""
"4034197","7.8041","0.0002","20.9989","0.0007","15.3544","0.0005","90","","90.969","0.001","90","","2515.88","0.13","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Br4 N8 O8 -","- C55 H40 Br4 N8 O8 -","- C110 H80 Br8 N16 O16 -","2","0.5","","Seiler, Grant S.; Hughes, Chambers C.","Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.","The Journal of organic chemistry","2019","84","14","9339","9343","10.1021/acs.joc.9b01041","","x-ray","0.71073","MoKα","","0.0418","0.0289","","","0.0621","0.0668","","","","","","1.026","","","","has coordinates,has disorder","222739","2020-10-21","18:00:00",""
"4034198","7.3227","0.0006","9.1869","0.0007","9.8318","0.0007","88.721","0.003","69.39","0.003","76.809","0.003","601.53","0.08","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 Br N3 O5 -","- C12 H6 Br N3 O5 -","- C24 H12 Br2 N6 O10 -","2","1","","Seiler, Grant S.; Hughes, Chambers C.","Progress toward the Total Synthesis of Lymphostins: Preparation of a Functionalized Tetrahydropyrrolo[4,3,2-<i>de</i>]quinoline and Unusual Oxidative Dimerization.","The Journal of organic chemistry","2019","84","14","9339","9343","10.1021/acs.joc.9b01041","","x-ray","0.71073","MoKα","","0.0288","0.0233","","","0.0531","0.0553","","","","","","1.058","","","","has coordinates,has disorder","222740","2020-10-21","18:00:00",""
"4034199","6.7116","0.0004","13.2895","0.0008","21.395","0.0012","90","","90","","90","","1908.3","0.19","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Rao, Peirong; Hu, Jialei; Xuan, Jun; Ding, Hanfeng","Total Synthesis of (-)-Pavidolide B: A Ring Contraction Strategy.","The Journal of organic chemistry","2019","84","14","9385","9392","10.1021/acs.joc.9b01308","","","0.71073","MoKα","","0.0698","0.0531","","","0.1479","0.1626","","","","","","1.057","","","","has coordinates","222741","2020-10-21","18:00:00",""
"4034200","12.2208","0.001","12.8625","0.0012","13.9416","0.0011","80.472","0.007","77.833","0.007","76.994","0.008","2071.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Trimethyl(6-benzyl-8-phenylbicyclo[4.2.1]nona-2,4,7-trien-7-yl)silane","","- C25 H28 Si -","- C25 H28 Si -","- C100 H112 Si4 -","4","2","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Nasretdinov, Ramil N.; Dzhemileva, Lilya U.; Dzhemilev, Usein M.","The Synthesis of Bicyclo[4.2.1]nona-2,4,7-trienes by [6π + 2π]-Cycloaddition of 1-Substituted 1,3,5-Cycloheptatrienes Catalyzed by Titanium and Cobalt Complexes.","The Journal of organic chemistry","2019","84","14","9058","9066","10.1021/acs.joc.9b00996","","x-ray","0.71073","MoKα","","0.1517","0.0726","","","0.1441","0.1787","","","","","","0.958","","","","has coordinates","222743","2020-10-21","18:00:00",""
"4034201","12.595","0.002","8.5075","0.0015","19.02","0.003","90","","94.282","0.007","90","","2032.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trifluoromethyl)-1H-pyrrol-3-yl)","'(Z)-1,1,1-trifluoro-3-(1-(1-(3-methoxyphenyl)-5-(trifluoromethyl) -1H-pyrrol-3-yl)-1,3-diazepan-2-ylidene)propan-2-one'","","- C20 H19 F6 N3 O2 -","- C20 H19 F6 N3 O2 -","- C80 H76 F24 N12 O8 -","4","1","","Mittersteiner, Mateus; Andrade, Valquiria P.; Zachow, Lucimara L.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Synthesis of <i>N</i>-Pyrrolyl(furanyl)-Substituted Piperazines, 1,4-Dizepanes, and 1,4-Diazocanes.","The Journal of organic chemistry","2019","84","14","8976","8983","10.1021/acs.joc.9b00867","","","1.54178","CuKα","","0.0919","0.0533","","","0.131","0.1505","","","","","","1.041","","","","has coordinates","222744","2020-10-21","18:00:00",""
"4034202","10.1554","0.0004","5.0593","0.0002","29.8899","0.0012","90","","94.423","0.002","90","","1531.15","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Propanona","'(Z)-1,1,1-trifluoro-3-(4-(5-trifluorometil)furan-3-il)-1,4-diazocan-2-ilideno)p","","- C14 H14 F6 N2 O2 -","- C14 H14 F6 N2 O2 -","- C56 H56 F24 N8 O8 -","4","1","","Mittersteiner, Mateus; Andrade, Valquiria P.; Zachow, Lucimara L.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Synthesis of <i>N</i>-Pyrrolyl(furanyl)-Substituted Piperazines, 1,4-Dizepanes, and 1,4-Diazocanes.","The Journal of organic chemistry","2019","84","14","8976","8983","10.1021/acs.joc.9b00867","","x-ray","1.54178","CuKα","","0.1279","0.0944","","","0.2571","0.2919","","","","","","1.041","","","","has coordinates,has disorder","222745","2020-10-21","18:00:00",""
"4034203","10.4348","0.0003","14.193","0.0002","24.3818","0.0005","75.235","0.002","89.058","0.002","88.786","0.002","3490.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H42 Cl2 F12 N4 O2 S2 -","- C80 H42 F10 N4 O2 S2 -","- C160 H84 F20 N8 O4 S4 -","2","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","0.71073","MoKα","","0.1389","0.0985","","","0.2582","0.2956","","","","","","1.029","","","","has coordinates,has disorder","222746","2020-10-21","18:00:00",""
"4034204","22.3941","0.0015","13.4906","0.0004","22.8107","0.0015","90","","113.221","0.005","90","","6333.1","0.7","150","2","150","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C40 H0 F5 N2 O P S -","- C40 H18 F5 N2 O P S -","- C320 H144 F40 N16 O8 P8 S8 -","8","1","","Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli","Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex.","The Journal of organic chemistry","2019","84","14","9067","9074","10.1021/acs.joc.9b01015","","","1.54178","CuKα","","0.1396","0.0862","","","0.2272","0.2817","","","","","","1.022","","","","has coordinates,has disorder","222747","2020-10-21","18:00:00",""
"4034205","15.6454","0.0003","15.8125","0.0003","23.8504","0.0005","106.007","0.002","108.73","0.002","92.977","0.002","5306.9","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H98 Cl2.5 I4 N14.5 O26 -","- C92 H98 Cl2.5 I4 N14.5 O26 -","- C184 H196 Cl5 I8 N29 O52 -","2","1","","Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian","Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding.","The Journal of organic chemistry","2019","84","14","8859","8869","10.1021/acs.joc.9b00561","","","0.71073","MoKα","","0.0869","0.0706","","","0.1879","0.2013","","","","","","1.062","","","","has coordinates,has disorder","222748","2020-10-21","18:00:00",""
"4034206","13.3373","0.0003","17.9188","0.0004","57.9576","0.0011","90","","93.081","0.002","90","","13831.2","0.5","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H150 Br8 Cl11 N17 O28 -","- C111 H150 Br8 Cl11 N17 O28 -","- C444 H600 Br32 Cl44 N68 O112 -","4","1","","Huang, Wen-Long; Wang, Xu-Dong; Li, Sen; Zhang, Rui; Ao, Yu-Fei; Tang, Jun; Wang, Qi-Qiang; Wang, De-Xian","Anion Transporters Based on Noncovalent Balance including Anion-π, Hydrogen, and Halogen Bonding.","The Journal of organic chemistry","2019","84","14","8859","8869","10.1021/acs.joc.9b00561","","","0.71073","MoKα","","0.1742","0.0835","","","0.1778","0.2234","","","","","","1.014","","","","has coordinates,has disorder","222749","2020-10-21","18:00:00",""
"4034207","9.0295","0.0018","10.82","0.002","12.555","0.003","67.84","0.03","79.96","0.03","73.35","0.03","1085.3","0.5","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 Br O -","- C27 H25 Br O -","- C54 H50 Br2 O2 -","2","1","","Zhao, Lei-Min; Lei, Tao; Liao, Rong-Zhen; Xiao, Hongyan; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu","Visible-Light-Triggered Selective Intermolecular [2+2] Cycloaddition of Extended Enones: 2-Oxo-3-enoates and 2,4-Dien-1-ones with Olefins.","The Journal of organic chemistry","2019","84","14","9257","9269","10.1021/acs.joc.9b01273","","","0.71073","MoKα","","0.0675","0.0481","","","0.1024","0.1122","","","","","","1.061","","","","has coordinates","222750","2020-10-21","18:00:00",""
"4034208","7.6749","0.0006","7.9266","0.0007","9.506","0.0009","95.731","0.002","91.93","0.001","112.487","0.004","530.04","0.08","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 N2 O -","- C12 H8 F2 N2 O -","- C24 H16 F4 N4 O2 -","2","1","","Lian, Guifang; Li, Jingyu; Liu, Ping; Sun, Peipei","Photoredox-Catalyzed Radical Cascade Reaction To Synthesize Fluorinated Pyrrolo[1,2-<i>d</i>]benzodiazepine Derivatives.","The Journal of organic chemistry","2019","84","14","9322","9329","10.1021/acs.joc.9b00937","","","0.71073","MoKα","","0.0761","0.0585","","","0.1798","0.1915","","","","","","1.109","","","","has coordinates","222751","2020-10-21","18:00:00",""
"4034209","20.221","0.004","20.797","0.004","15.506","0.003","90","","92.56","0.03","90","","6514","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azo-borazine-3","","","- C78 H66 B3 N9 -","- C78 H66 B3 N9 -","- C312 H264 B12 N36 -","4","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.1509","0.1017","","","0.2874","0.3449","","","","","","1.04","","","","has coordinates,has disorder","222752","2020-10-21","18:00:00",""
"4034210","13.37","0.003","19.684","0.004","18.969","0.004","90","","97.14","0.03","90","","4953.5","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tris-triflate borazine","","","- C45 H39 B3 F9 N3 O9 S3 -","- C45 H39 B3 F9 N3 O9 S3 -","- C180 H156 B12 F36 N12 O36 S12 -","4","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.0596","0.0545","","","0.1467","0.1516","","","","","","0.991","","","","has coordinates,has disorder","222753","2020-10-21","18:00:00",""
"4034211","10.84","0.002","17.26","0.003","18.41","0.004","114.82","0.01","95.05","0.006","91","0.006","3108.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tert-butyldimethylsilyl (TBDMS)-protected borazine","","","- C61.5 H87 B3 N3 O3.5 Si3 -","- C61.5 H87 B3 N3 O3.5 Si3 -","- C123 H174 B6 N6 O7 Si6 -","2","1","","Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide","Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.","The Journal of organic chemistry","2019","84","14","9101","9116","10.1021/acs.joc.9b01046","","","0.7","Synchrotron","","0.0529","0.0521","","","0.1421","0.1426","","","","","","1.027","","","","has coordinates,has disorder","222754","2020-10-21","18:00:00",""
"4034212","24.5782","0.0007","4.6272","0.0001","25.8074","0.0007","90","","93.14","0.002","90","","2930.62","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N O4 -","- C38 H32 N O4 -","- C152 H128 N4 O16 -","4","1","","Strom, Kyle R.; Szostak, Jack W.; Prywes, Noam","Transfer of Sequence Information and Replication of Diimine Duplexes.","The Journal of organic chemistry","2019","84","7","3754","3761","10.1021/acs.joc.9b00095","","","1.54178","CuKα","","0.0855","0.0576","","","0.1499","0.1647","","","","","","1.076","","","","has coordinates,has disorder","222755","2020-10-21","18:00:00",""
"4034213","8.0811","0.0005","8.9936","0.0005","16.6202","0.0011","94.273","0.005","97.317","0.005","110.25","0.005","1114.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 F3 N O4 S -","- C26 H16 F3 N O4 S -","- C52 H32 F6 N2 O8 S2 -","2","1","","Shaikh, Aslam C.; Banerjee, Somsuvra; Mule, Ravindra D.; Bera, Saibal; Patil, Nitin T.","External Oxidant-Dependent Reactivity Switch in Copper-Mediated Intramolecular Carboamination of Alkynes: Access to a Different Class of Fluorescent Ionic Nitrogen-Doped Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2019","84","7","4120","4130","10.1021/acs.joc.9b00120","","x-ray","0.71073","MoKα","","0.086422","0.062539","","","","0.220207","","","","","","1.30437","","","","has coordinates","222756","2020-10-21","18:00:00",""
"4034214","8.4075","0.0007","8.928","0.0008","16.9361","0.0014","75.688","0.007","85.72","0.007","69.64","0.008","1154.76","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H14 Cl F3 N O4 S -","- C26 H14 Cl F3 N O4 S -","- C52 H28 Cl2 F6 N2 O8 S2 -","2","1","","Shaikh, Aslam C.; Banerjee, Somsuvra; Mule, Ravindra D.; Bera, Saibal; Patil, Nitin T.","External Oxidant-Dependent Reactivity Switch in Copper-Mediated Intramolecular Carboamination of Alkynes: Access to a Different Class of Fluorescent Ionic Nitrogen-Doped Polycyclic Aromatic Hydrocarbons.","The Journal of organic chemistry","2019","84","7","4120","4130","10.1021/acs.joc.9b00120","","x-ray","0.71073","MoKα","","0.0794","0.0594","","","0.1901","0.2187","","","","","","0.784","","","","has coordinates","222757","2020-10-21","18:00:00",""
"4034215","7.3885","0.001","11.9192","0.0016","17.597","0.002","96.437","0.002","90.969","0.002","98.162","0.002","1523.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C80 H52 Br4 N8 O4 -","4","2","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1219","0.0569","","","0.1246","0.1441","","","","","","0.987","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034216","7.732","0.002","21.217","0.006","8.849","0.002","90","","92.94","0.004","90","","1449.8","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0941","0.0477","","","0.1214","0.1394","","","","","","1.031","","","","has coordinates","222759","2020-10-21","18:00:00",""
"4034217","5.6465","0.0008","10.1339","0.0015","31.872","0.005","90","","90","","90","","1823.7","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C104 H68 N12 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1317","0.0772","","","0.1929","0.2199","","","","","","0.929","","","","has coordinates,has disorder","222760","2020-10-21","18:00:00",""
"4034218","28.3133","0.0006","7.5509","0.0002","15.6708","0.0003","90","","109.509","0.001","90","","3157.93","0.12","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C160 H104 Br8 N16 O8 -","8","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0732","0.0389","","","0.0973","0.1134","","","","","","1.01","","","","has coordinates,has disorder","222761","2020-10-21","18:00:00",""
"4034219","15.5365","0.0007","15.5527","0.0007","25.5575","0.0011","76.77","0.001","76.127","0.001","89.681","0.001","5828.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","8","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1111","0.0435","","","0.0984","0.1176","","","","","","0.846","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034220","29.7977","0.0005","7.5553","0.0001","16.4954","0.0003","90","","100.342","0.001","90","","3653.29","0.1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C208 H136 N24 O8 -","8","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.0575","0.048","","","0.1393","0.15","","","","","","1.035","","","","has coordinates","222763","2020-10-21","18:00:00",""
"4034221","5.5694","0.0001","16.5355","0.0004","30.0961","0.0006","90","","90","","90","","2771.63","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0427","0.0279","","","0.0606","0.0631","","","","","","0.954","","","","has coordinates","222764","2020-10-21","18:00:00",""
"4034222","9.9275","0.0004","30.6826","0.0008","10.2669","0.0005","90","","117.756","0.006","90","","2767.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0657","0.0478","","","0.0979","0.1079","","","","","","1.083","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034223","8.4313","0.0003","16.317","0.0007","17.1584","0.0008","90","","101.057","0.002","90","","2316.72","0.17","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N2 O6 Rh S -","- C20 H29 N2 O6 Rh S -","- C80 H116 N8 O24 Rh4 S4 -","4","1","","Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.","The Journal of organic chemistry","2019","84","7","4058","4071","10.1021/acs.joc.9b00051","","","0.71073","MoKα","","0.078","0.0359","","","0.0706","0.0942","","","","","","1.1367","","","","has coordinates","222766","2020-10-21","18:00:00",""
"4034224","17.3441","0.0007","5.5569","0.0003","18.2798","0.0008","90","","107.527","0.0018","90","","1680.01","0.14","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.","The Journal of organic chemistry","2019","84","7","4058","4071","10.1021/acs.joc.9b00051","","","0.71073","MoKα","","0.0676","0.0398","","","0.0876","0.1022","","","","","","1.057","","","","has coordinates","222767","2020-10-21","18:00:00",""
"4034225","13.033","0.0007","15.1328","0.0008","7.9409","0.0003","90","","98.674","0.002","90","","1548.24","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O3 -","- C16 H20 Br N O3 -","- C64 H80 Br4 N4 O12 -","4","1","","Sivasakthikumaran, Ramakrishnan; Jambu, Subramanian; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Distal Weak O-Coordinating C-H Alkylation of Arylacetamides with Alkenes: Combined Experimental and DFT Studies.","The Journal of organic chemistry","2019","84","7","3977","3989","10.1021/acs.joc.8b03257","","","0.71073","MoKα","","0.0676","0.0385","","","0.0981","0.1109","","","","","","0.982","","","","has coordinates","222768","2020-10-21","18:00:00",""
"4034226","8.5651","0.0003","9.8558","0.0003","14.1385","0.0005","90","","90","","90","","1193.51","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br4 -","- C9 H12 Br4 -","- C36 H48 Br16 -","4","1","","Gunther, Michael J.; Pavlović, Radoslav Z; Fernandez, Joseph P.; Zhiquan, Lei; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Stereo- and Regioselective Synthesis of Molecular Baskets.","The Journal of organic chemistry","2019","84","7","4392","4401","10.1021/acs.joc.9b00330","","x-ray","0.71073","MoKα","","0.0177","0.0172","","","0.0418","0.042","","","","","","1.178","","","","has coordinates","222769","2020-10-21","18:00:00",""
"4034227","10.0566","0.0005","12.3887","0.0006","16.2726","0.0007","73.9131","0.0016","78.5757","0.0016","69.5826","0.0016","1813.99","0.15","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H47 B N4 -","- C45 H47 B N4 -","- C90 H94 B2 N8 -","2","1","","Baek, Yonghyeon; Kwon, Youngjae; Maeng, Chanyoung; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Lee, Phil Ho","Pyrazinoindole-Based Lewis-Acid/Base Assembly: Intriguing Intramolecular Charge-Transfer Switching through the Dual-Sensing of Fluoride and Acid.","The Journal of organic chemistry","2019","84","7","3843","3852","10.1021/acs.joc.8b02942","","","0.71073","MoKα","","0.1441","0.0655","","","0.1136","0.1374","","","","","","1.033","","","","has coordinates","222770","2020-10-21","18:00:00",""
"4034228","12.667","0.0017","10.8935","0.0012","27.315","0.003","90","","98.727","0.005","90","","3725.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 B N4 -","- C45 H47 B N4 -","- C180 H188 B4 N16 -","4","1","","Baek, Yonghyeon; Kwon, Youngjae; Maeng, Chanyoung; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun; Lee, Phil Ho","Pyrazinoindole-Based Lewis-Acid/Base Assembly: Intriguing Intramolecular Charge-Transfer Switching through the Dual-Sensing of Fluoride and Acid.","The Journal of organic chemistry","2019","84","7","3843","3852","10.1021/acs.joc.8b02942","","","0.71073","MoKα","","0.1405","0.0641","","","0.1114","0.1359","","","","","","1.016","","","","has coordinates","222771","2020-10-21","18:00:00",""
"4034229","6.9454","0.0001","19.9965","0.0004","10.6578","0.0001","90","","90","","90","","1480.19","0.04","93","","93","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C34 H33.5 F3 N2 O3.25 S -","- C34 H33.5 F3 N2 O3.25 S -","- C68 H67 F6 N4 O6.5 S2 -","2","0.5","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.0347","0.0338","","","0.0965","0.0976","","","","","","1.059","","","","has coordinates,has disorder","222772","2020-10-21","18:00:00",""
"4034230","8.5044","0.0002","9.2497","0.0003","21.4736","0.001","87.846","0.003","80.072","0.003","70.549","0.003","1568.56","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 F15 N2 O3 S -","- C34 H21 F15 N2 O3 S -","- C68 H42 F30 N4 O6 S2 -","2","1","","Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi","Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.","The Journal of organic chemistry","2019","84","7","4372","4380","10.1021/acs.joc.9b00378","","x-ray","1.54184","CuKα","","0.079","0.0616","","","0.1795","0.1914","","","","","","1.095","","","","has coordinates","222773","2020-10-21","18:00:00",""
"4034231","7.6807","0.0002","10.5907","0.0003","16.1738","0.0004","90","","101.009","0.003","90","","1291.43","0.06","278","10","278","10","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Zheng, Zai-Qin; Wei, Wen-Jun; Zhang, Junmin; Li, Hang-Ying; Xu, Kai; Xu, Jiayuan; Tang, Bencan; Li, Ya; Gao, Kun","Heliaquanoids A-E, Five Sesquiterpenoid Dimers from Inula helianthus-aquatica.","The Journal of organic chemistry","2019","84","7","4473","4477","10.1021/acs.joc.8b03284","","","1.54184","CuKα","","0.0495","0.0459","","","0.1185","0.1234","","","","","","1.043","","","","has coordinates","222774","2020-10-21","18:00:00",""
"4034232","7.6236","0.0014","11.458","0.002","14.056","0.003","108.113","0.002","90.803","0.002","96.502","0.002","1157.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 F O2 -","- C31 H21 F O2 -","- C62 H42 F2 O4 -","2","1","","Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan","Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.","The Journal of organic chemistry","2019","84","7","4246","4262","10.1021/acs.joc.9b00231","","","0.71073","MoKα","","0.0847","0.0494","","","0.1395","0.168","","","","","","1.067","","","","has coordinates","222775","2020-10-21","18:00:00",""
"4034233","9.695","0.004","10.725","0.005","12.043","0.005","67.555","0.004","69.092","0.004","69.054","0.004","1045.1","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O -","- C30 H20 O -","- C60 H40 O2 -","2","1","","Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan","Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.","The Journal of organic chemistry","2019","84","7","4246","4262","10.1021/acs.joc.9b00231","","","0.71073","MoKα","","0.0577","0.0465","","","0.1337","0.145","","","","","","1.057","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4034234","13.0743","0.0014","13.6975","0.0015","17.525","0.002","88.312","0.006","76.177","0.005","86.509","0.005","3041.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Cl F12 N9 P2 -","- C59 H60 Cl F12 N9 P2 -","- C118 H120 Cl2 F24 N18 P4 -","2","1","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.0602","0.0436","","","0.1139","0.1253","","","","","","1.022","","","","has coordinates","222777","2020-10-21","18:00:00",""
"4034235","14.3935","0.0008","14.3935","0.0008","17.2887","0.001","90","","90","","120","","3101.9","0.3","90","2","90","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3218","0.2754","","","0.7053","0.7483","","","","","","1.218","","","","has coordinates","222778","2020-10-21","18:00:00",""
"4034236","14.654","0.0013","14.654","0.0013","17.5993","0.0016","90","","90","","120","","3272.9","0.5","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C57 H57 F18 N8 P3 -","- C57 H57 F18 N8 P3 -","- C114 H114 F36 N16 P6 -","2","0.333333","","Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria","Halide-Controlled Extending-Shrinking Motion of a Covalent Cage.","The Journal of organic chemistry","2019","84","7","4221","4228","10.1021/acs.joc.9b00219","","","0.71073","MoKα","","0.3357","0.2496","","","0.6483","0.7363","","","","","","1.134","","","","has coordinates","222779","2020-10-21","18:00:00",""
"4034237","9.1411","0.0003","10.3952","0.0003","13.8711","0.0005","90","","100.611","0.001","90","","1295.54","0.07","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O S -","- C15 H10 F3 N O S -","- C60 H40 F12 N4 O4 S4 -","4","1","","Barthelemy, Anne-Laure; Anselmi, Elsa; Le, Thanh-Nghi; Vo-Thanh, Giang; Guillot, Régis; Miqueu, Karinne; Magnier, Emmanuel","Divergent Synthesis of 1,2-Benzo[ e]thiazine and Benzo[ d]thiazole Analogues Containing a S-Trifluoromethyl Sulfoximine Group: Preparation and New Properties of the Adachi Reagent.","The Journal of organic chemistry","2019","84","7","4086","4094","10.1021/acs.joc.9b00079","","x-ray","0.71073","MoKα","","0.0415","0.0326","","","0.0916","0.0992","","","","","","1.032","","","","has coordinates","222780","2020-10-21","18:00:00",""
"4034238","9.0768","0.0004","10.4534","0.0005","13.9478","0.0006","90","","100.41","0.002","90","","1301.63","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O S -","- C15 H10 F3 N O S -","- C60 H40 F12 N4 O4 S4 -","4","1","","Barthelemy, Anne-Laure; Anselmi, Elsa; Le, Thanh-Nghi; Vo-Thanh, Giang; Guillot, Régis; Miqueu, Karinne; Magnier, Emmanuel","Divergent Synthesis of 1,2-Benzo[ e]thiazine and Benzo[ d]thiazole Analogues Containing a S-Trifluoromethyl Sulfoximine Group: Preparation and New Properties of the Adachi Reagent.","The Journal of organic chemistry","2019","84","7","4086","4094","10.1021/acs.joc.9b00079","","x-ray","0.71073","MoKα","","0.0462","0.0366","","","0.093","0.0982","","","","","","1.038","","","","has coordinates","222781","2020-10-21","18:00:00",""
"4034239","20.2062","0.0003","13.294","0.0002","10.06784","0.0002","90","","90","","90","","2704.44","0.08","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H23 Cl N2 O6 S -","- C30 H23 Cl N2 O6 S -","- C120 H92 Cl4 N8 O24 S4 -","4","1","","Zhou, Xiao-Jian; Zhao, Jian-Qiang; Chen, Xin-Meng; Zhuo, Jun-Rui; Zhang, Yan-Ping; Chen, Yong-Zheng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalyzed Asymmetric Dearomative Aza-Michael/Michael Addition Cascade of 2-Nitrobenzofurans and 2-Nitrobenzothiophenes with 2-Aminochalcones.","The Journal of organic chemistry","2019","84","7","4381","4391","10.1021/acs.joc.9b00401","","x-ray","1.54184","CuKα","","0.0467","0.0407","","","0.1091","0.1152","","","","","","1.043","","","","has coordinates","222782","2020-10-21","18:00:00",""
"4034240","10.1216","0.0009","10.5451","0.001","14.942","0.0014","79.326","0.004","83.739","0.004","70.701","0.004","1477.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N O2 S -","- C35 H33 N O2 S -","- C70 H66 N2 O4 S2 -","2","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.1308","0.0672","","","0.1756","0.2248","","","","","","1.008","","","","has coordinates","222783","2020-10-21","18:00:00",""
"4034241","11.7619","0.001","22.0327","0.0018","7.9732","0.0007","90","","104.881","0.003","90","","1996.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.0802","0.0535","","","0.1259","0.1399","","","","","","1.064","","","","has coordinates,has disorder","222784","2020-10-21","18:00:00",""
"4034242","14.2861","0.0006","13.9462","0.0004","13.3948","0.0005","90","","104.381","0.0015","90","","2585.12","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 S -","- C32 H27 N O2 S -","- C128 H108 N4 O8 S4 -","4","1","","Gandhi, Soniya; Baire, Beeraiah","Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.","The Journal of organic chemistry","2019","84","7","3904","3918","10.1021/acs.joc.8b03027","","","0.71073","MoKα","","0.0788","0.0428","","","0.0905","0.1096","","","","","","1.01","","","","has coordinates","222785","2020-10-21","18:00:00",""
"4034243","6.6499","0.0014","7.472","0.002","43.076","0.01","93.23","0.04","91.35","0.03","116.106","0.017","1916.2","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","2","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0975","0.0963","","","0.2566","0.2574","","","","","","1.108","","","","has coordinates","222786","2020-10-21","18:00:00",""
"4034244","6.5581","0.0001","7.3707","0.0001","39.7747","0.0009","90","","91.298","0.002","90","","1922.13","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H62 N2 O6 Si -","- C40 H62 N2 O6 Si -","- C80 H124 N4 O12 Si2 -","2","1","","Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.","Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.","The Journal of organic chemistry","2019","84","7","4104","4111","10.1021/acs.joc.9b00103","","x-ray","1.54184","CuKα","","0.0595","0.0574","","","0.1334","0.1346","","","","","","1.08","","","","has coordinates","222787","2020-10-21","18:00:00",""
"4034245","10.7376","0.0009","12.1732","0.0012","15.8235","0.0017","71.982","0.009","88.589","0.008","64.831","0.009","1766.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 F N2 O2 S -","- C35 H27 F N2 O2 S -","- C70 H54 F2 N4 O4 S2 -","2","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","","0.71073","MoKα","","0.0828","0.06","","","0.1245","0.1375","","","","","","1.033","","","","has coordinates","222788","2020-10-21","18:00:00",""
"4034246","8.586","0.0002","12.0693","0.0004","15.3164","0.0005","100.733","0.003","101.129","0.002","108.783","0.003","1420.73","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N3 O2 S -","- C36 H29 N3 O2 S -","- C72 H58 N6 O4 S2 -","2","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","","0.71073","MoKα","","0.0485","0.0398","","","0.0926","0.0973","","","","","","1.028","","","","has coordinates","222789","2020-10-21","18:00:00",""
"4034247","17.6547","0.0003","17.6547","0.0003","42.2964","0.0007","90","","90","","120","","11417.1","0.3","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H27 F3 N2 O2 S -","- C36 H27 F3 N2 O2 S -","- C432 H324 F36 N24 O24 S12 -","12","1","","Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.","The Journal of organic chemistry","2019","84","7","3743","3753","10.1021/acs.joc.8b03205","","x-ray","0.71073","MoKα","","0.0407","0.0345","","","0.0834","0.0866","","","","","","1.03","","","","has coordinates","222790","2020-10-21","18:00:00",""
"4034248","8.10978","0.00005","9.41535","0.00005","24.11706","0.00015","90","","90","","90","","1841.49","0.019","123","2","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 I N3 -","- C17 H17 B F4 I N3 -","- C68 H68 B4 F16 I4 N12 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0611","0.0612","","","","","","1.051","","","","has coordinates,has disorder","222791","2020-10-21","18:00:00",""
"4034249","6.54","0.0001","19.8361","0.0004","15.2529","0.0003","90","","93.965","0.002","90","","1973.99","0.06","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H16 B F4 I N4 O2 -","- C17 H16 B F4 I N4 O2 -","- C68 H64 B4 F16 I4 N16 O8 -","4","2","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0496","0.0473","","","0.1265","0.1305","","","","","","1.052","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034250","7.5236","0.0001","14.6973","0.0003","19.9237","0.0003","90","","90","","90","","2203.1","0.06","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 I N4 O5 S -","- C18 H16 F3 I N4 O5 S -","- C72 H64 F12 I4 N16 O20 S4 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0474","0.0448","","","0.1146","0.1172","","","","","","1.038","","","","has coordinates","222793","2020-10-21","18:00:00",""
"4034251","10.2947","0.0002","6.9593","0.0001","11.0589","0.0002","90","","115.163","0.002","90","","717.11","0.02","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C32 H28 Br2 N6 -","2","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0931","0.0935","","","","","","1.041","","","","has coordinates","222794","2020-10-21","18:00:00",""
"4034252","9.417","0.004","16.255","0.007","12.488","0.005","90","","105.578","0.007","90","","1841.4","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O4 -","- C25 H16 O4 -","- C100 H64 O16 -","4","1","","Qiao, Liang; Duan, Zhongwei; Chen, Yinghan; Luan, Yepeng; Gu, Qianqun; Liu, Yan-Kai; Li, Dehai","Aspergiolides A and B: Core Structural Establishment and Synthesis of Structural Analogues.","The Journal of organic chemistry","2019","84","7","4451","4457","10.1021/acs.joc.8b03185","","","0.71073","MoKα","","0.0877","0.0435","","","0.0951","0.1128","","","","","","1.069","","","","has coordinates","222795","2020-10-21","18:00:00",""
"4034253","11.242","0.003","40.833","0.008","11.278","0.002","90","","111.848","0.006","90","","4805.3","1.8","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110.82 H123.23 N8.41 O8 -","- C110.822 H123.233 N8.411 O8 -","- C221.644 H246.466 N16.822 O16 -","2","1","","Wellhöfer, Isabelle; Frydenvang, Karla; Kotesova, Simona; Christiansen, Andreas M.; Laursen, Jonas S.; Olsen, Christian A.","Functionalized Helical β-Peptoids.","The Journal of organic chemistry","2019","84","7","3762","3779","10.1021/acs.joc.9b00218","","","0.71073","MoKα","","0.0976","0.061","","","0.1294","0.146","","","","","","1.02","","","","has coordinates,has disorder","222796","2020-10-21","18:00:00",""
"4034254","9.4387","0.001","10.7305","0.0012","10.9753","0.0012","80.125","0.002","73.234","0.002","68.058","0.002","984.7","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 I N2 S2 -","- C20 H19 I N2 S2 -","- C40 H38 I2 N4 S4 -","2","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.0345","0.0283","","","0.0745","0.0779","","","","","","1.031","","","","has coordinates","222797","2020-10-21","18:00:00",""
"4034255","9.8694","0.0014","10.3956","0.0015","11.1604","0.0015","64.256","0.002","80.181","0.002","63.66","0.002","924","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Br I N2 O S -","- C19 H18 Br I N2 O S -","- C38 H36 Br2 I2 N4 O2 S2 -","2","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1198","0.0878","","","0.2577","0.2953","","","","","","1.02","","","","has coordinates","222798","2020-10-21","18:00:00",""
"4034256","11.0629","0.0016","16.601","0.003","19.901","0.003","90","","90","","90","","3654.9","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cl I N2 S -","- C19 H16 Cl I N2 S -","- C152 H128 Cl8 I8 N16 S8 -","8","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1366","0.0568","","","0.1018","0.1247","","","","","","1.02","","","","has coordinates","222799","2020-10-21","18:00:00",""
"4034257","7.7369","0.0007","18.281","0.002","10.785","0.0011","90","","106.322","0.011","90","","1463.9","0.3","175","","175","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Liu, Yujia; Bergès, Julien; Zaid, Yassir; Chahdi, Fouad Ouazzani; Van Der Lee, Arie; Harakat, Dominique; Clot, Eric; Jaroschik, Florian; Taillefer, Marc","Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums.","The Journal of organic chemistry","2019","84","7","4413","4420","10.1021/acs.joc.8b02834","","","0.71073","MoKα","","0.1969","0.1258","","0.1285","0.1028","0.1028","","","","","","1.117","","","","has coordinates","222800","2020-10-21","18:00:00",""
"4034258","8.0793","0.0001","8.1611","0.0001","20.7538","0.0003","90","","90","","90","","1368.42","0.03","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0312","0.0311","","","0.0946","0.0948","","","","","","1.102","","","","has coordinates","222801","2020-10-21","18:00:00",""
"4034259","7.4815","0.0002","12.4851","0.0002","24.3339","0.0005","90","","90","","90","","2272.96","0.08","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C108 H100 N4 O20 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0323","0.0306","","","0.0822","0.084","","","","","","1.059","","","","has coordinates,has disorder","222802","2020-10-21","18:00:00",""
"4034260","13.8863","0.0003","7.2827","0.0002","24.0141","0.0005","90","","101.573","0.0007","90","","2379.17","0.1","120","","120","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Slavík, Petr; Krupička, Martin; Eigner, Václav; Vrzal, Lukáš; Dvořáková, Hana; Lhoták, Pavel","Rearrangement of meta-Bridged Calix[4]arenes Promoted by Internal Strain.","The Journal of organic chemistry","2019","84","7","4229","4235","10.1021/acs.joc.9b00107","","","1.54178","CuKα","","0.0354","0.0329","","0.0887","0.0881","0.0887","","","","","","0.951","","","","has coordinates","222803","2020-10-21","18:00:00",""
"4034261","8.6488","0.0003","9.3013","0.0004","11.1317","0.0004","91.99","0.003","93.798","0.003","99.922","0.004","879.19","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C46 H34 N2 O6 -","2","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0621","0.0441","","","0.1109","0.1189","","","","","","1.047","","","","has coordinates","222804","2020-10-21","18:00:00",""
"4034262","9.3771","0.0001","18.5002","0.0002","10.2968","0.0001","90","","114.704","0.001","90","","1622.79","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0827","0.0831","","","","","","1.039","","","","has coordinates","222805","2020-10-21","18:00:00",""
"4034263","9.0927","0.0002","18.9606","0.0007","10.0748","0.0002","90","","93.784","0.002","90","","1733.14","0.08","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0611","0.0538","","","0.1317","0.1362","","","","","","1.112","","","","has coordinates","222806","2020-10-21","18:00:00",""
"4034264","9.5875","0.0001","9.8275","0.0001","16.1247","0.0001","90","","90.184","0.001","90","","1519.28","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0336","0.033","","","0.082","0.0825","","","","","","1.059","","","","has coordinates","222807","2020-10-21","18:00:00",""
"4034265","13.9068","0.0002","10.3152","0.0001","26.2389","0.0004","90","","98.581","0.001","90","","3721.87","0.09","113.6","0.3","113.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F N O3 -","- C24 H18 F N O3 -","- C192 H144 F8 N8 O24 -","8","2","","Guranova, Natalia I.; Dar'in, Dmitry; Kantin, Grigory; Novikov, Alexander S.; Bakulina, Olga; Krasavin, Mikhail","Rh(II)-Catalyzed Spirocyclization of α-Diazo Homophthalimides with Cyclic Ethers.","The Journal of organic chemistry","2019","84","7","4534","4542","10.1021/acs.joc.9b00245","","x-ray","1.54184","CuKα","","0.0646","0.0575","","","0.1554","0.1667","","","","","","1.085","","","","has coordinates","222808","2020-10-21","18:00:00",""
"4034266","15.026","0.0003","9.941","0.0002","12.0298","0.0003","90","","99.127","0.0008","90","","1774.18","0.07","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N5 O5 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","","Ansari, Arshad J.; Joshi, Gaurav; Sharma, Praveen; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Chandaluri, Chanchayya Gupta; Kumar, Raj; Singh, Sandeep; Sawant, Devesh M.","Pd-Catalyzed Four-Component Sequential Reaction Delivers a Modular Fluorophore Platform for Cell Imaging.","The Journal of organic chemistry","2019","84","7","3817","3825","10.1021/acs.joc.8b02845","","","0.71073","MoKα","","0.0592","0.0452","","","0.1303","0.1443","","","","","","1.075","","","","has coordinates","222809","2020-10-21","18:00:00",""
"4034267","8.05511","0.00005","11.64625","0.00008","18.10204","0.0001","90","","90","","90","","1698.19","0.018","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B N P -","- C17 H25 B N P -","- C68 H100 B4 N4 P4 -","4","1","","Lemouzy, Sébastien; Membrat, Romain; Olivieri, Enzo; Jean, Marion; Albalat, Muriel; Nuel, Didier; Giordano, Laurent; Hérault, Damien; Buono, Gérard","Umpolung Reactivity of in Situ Generated Phosphido-Boranes: An Entry to P-Stereogenic Aminophosphine-Boranes.","The Journal of organic chemistry","2019","84","7","4551","4557","10.1021/acs.joc.9b00333","","x-ray","1.54184","CuKα","","0.0352","0.0349","","","0.0916","0.0919","","","","","","1.102","","","","has coordinates","222810","2020-10-21","18:00:00",""
"4034268","6.0404","0.001","18.307","0.003","20.483","0.003","90","","96.951","0.004","90","","2248.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0988","0.0523","","","0.1226","0.1453","","","","","","0.994","","","","has coordinates","222811","2020-10-21","18:00:00",""
"4034269","8.2873","0.0003","11.2154","0.0006","13.2137","0.0006","104.22","0.002","107.154","0.002","107.165","0.002","1044.15","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl N O3 S -","- C23 H24 Cl N O3 S -","- C46 H48 Cl2 N2 O6 S2 -","2","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0876","0.0572","","","0.1165","0.1364","","","","","","1.032","","","","has coordinates","222812","2020-10-21","18:00:00",""
"4034270","9.816","0.004","17.033","0.007","14.307","0.006","90","","98.619","0.009","90","","2365.1","1.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O3 S -","- C27 H26 Cl N O3 S -","- C108 H104 Cl4 N4 O12 S4 -","4","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.074","0.0488","","","0.1308","0.1469","","","","","","1.018","","","","has coordinates","222813","2020-10-21","18:00:00",""
"4034271","8.2865","0.0019","10.144","0.003","15.586","0.004","77.546","0.006","84.113","0.006","77.165","0.006","1245.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C52 H48 Cl2 N2 O6 S2 -","2","1","","Zhao, Erbao; Zhou, Feilong; Zhao, Yujun","Lewis Acids Promoted 3 + 2 Cycloaddition of Oxaziridines and Cyclic Allylic Alcohols through Carbonyl Imine Intermediates.","The Journal of organic chemistry","2019","84","7","4282","4293","10.1021/acs.joc.9b00246","","","0.71073","MoKα","","0.0953","0.0556","","","0.134","0.1567","","","","","","0.982","","","","has coordinates","222814","2020-10-21","18:00:00",""
"4034272","31.17","0.006","4.9304","0.0009","23.09","0.004","90","","122.388","0.006","90","","2996.5","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C112 H152 N24 O32 -","8","1","","Peixoto, Daniela; Malta, Gabriela; Cruz, Hugo; Barroso, Sónia; Carvalho, Ana Luísa; Ferreira, Luísa M; Branco, Paula S.","N-Heterocyclic Olefin Catalysis for the Ring Opening of Cyclic Amidine Compounds: A Pathway to the Synthesis of ε-Caprolactam- and γ-Lactam-Derived Amines.","The Journal of organic chemistry","2019","84","7","3793","3800","10.1021/acs.joc.8b02823","","x-ray","0.71073","MoKα","","0.1674","0.0624","","","0.1181","0.1401","","","","","","0.962","","","","has coordinates","222815","2020-10-21","18:00:00",""
"4034273","9.3502","0.0006","9.7552","0.0005","18.8817","0.0013","91.916","0.005","92.417","0.005","104.915","0.005","1661","0.18","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl F O2 S -","- C20 H14 Cl F O2 S -","- C80 H56 Cl4 F4 O8 S4 -","4","2","","Alkan-Zambada, Murat; Hu, Xile","Cu-Catalyzed Photoredox Chlorosulfonation of Alkenes and Alkynes.","The Journal of organic chemistry","2019","84","7","4525","4533","10.1021/acs.joc.9b00238","","x-ray","1.54184","CuKα","","0.065","0.045","","","0.118","0.1296","","","","","","1.022","","","","has coordinates","222816","2020-10-21","18:00:00",""
"4034274","19.6438","0.0014","20.3232","0.0015","26.513","0.002","90","","103.435","0.002","90","","10295","1.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C302 H476 F96 N128 O103 P16 -","- C302 H476 F96 N128 O103 P16 -","- C302 H476 F96 N128 O103 P16 -","1","0.25","","Chandrakumar, Pradeep Kumar; Dhiman, Rajni; Woodward, Clifford E.; Iranmanesh, Hasti; Beves, Jonathon E.; Day, Anthony I.","Tiara[ n]uril: A Glycoluril-Based Macrocyclic Host with Cationic Walls.","The Journal of organic chemistry","2019","84","7","3826","3831","10.1021/acs.joc.8b02913","","","0.71073","MoKα","","0.1246","0.0784","","","0.1911","0.2239","","","","","","1.031","","","","has coordinates","222817","2020-10-21","18:00:00",""
"4034275","10.7001","0.0002","7.5125","0.0001","12.3736","0.0002","90","","93.544","0.001","90","","992.74","0.03","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C40 H40 N4 O14 S2 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.04","0.0368","","","0.0876","0.089","","","","","","1.09","","","","has coordinates","222818","2020-10-21","18:00:00",""
"4034276","5.6069","0.0002","8.4799","0.0003","32.8891","0.0012","90","","90","","90","","1563.74","0.1","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N O3 -","- C15 H19 Cl N O3 -","- C60 H76 Cl4 N4 O12 -","4","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.068","0.0534","","","0.1227","0.1297","","","","","","1.057","","","","has coordinates","222819","2020-10-21","18:00:00",""
"4034277","5.8397","0.0004","11.6308","0.0007","14.2713","0.0008","90","","94.727","0.004","90","","966.02","0.1","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O5 -","- C18 H26 N4 O5 -","- C36 H52 N8 O10 -","2","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.0974","0.0678","","","0.1549","0.1699","","","","","","1.033","","","","has coordinates","222820","2020-10-21","18:00:00",""
"4034278","11.7922","0.0002","14.2337","0.0003","21.0488","0.0004","90","","102.785","0.001","90","","3445.38","0.11","270","2","270","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","4","","Meng, Fan-Jie; Shi, Lei; Feng, Guang-Shou; Sun, Lei; Zhou, Yong-Gui","Enantioselective Synthesis of 3,4-Dihydropyrimidin-2(1 H)-ones through Organocatalytic Transfer Hydrogenation of 2-Hydroxypyrimidines.","The Journal of organic chemistry","2019","84","7","4435","4442","10.1021/acs.joc.8b03128","","","1.54178","CuKα","","0.0631","0.0449","","","0.0992","0.1114","","","","","","1.041","","","","has coordinates","222821","2020-10-21","18:00:00",""
"4034279","15.8855","0.0016","10.6751","0.0013","16.2034","0.0017","90","","102.86","0.01","90","","2678.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","","0.71073","MoKα","","0.0452","0.0395","","","0.1112","0.1161","","","","","","1.037","","","","has coordinates","222822","2020-10-21","18:00:00",""
"4034280","12.5854","0.001","8.978","0.0007","12.7456","0.001","90","","97.805","0.002","90","","1426.81","0.19","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","","0.71073","MoKα","","0.0962","0.0601","","","0.1341","0.1514","","","","","","1.032","","","","has coordinates","222823","2020-10-21","18:00:00",""
"4034281","7.9727","0.0004","14.6193","0.0007","24.5046","0.0011","90","","97.712","0.001","90","","2830.3","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Zhang, Yong; Luo, Liang; Ge, Jin; Yan, Su-Qiong; Peng, Yan-Xin; Liu, Ya-Ru; Liu, Jin-Xiang; Liu, Chong; Ma, Tianqiong; Luo, Hai-Qing","""On Water"" Direct Organocatalytic Cyanoarylmethylation of Isatins for the Diastereoselective Synthesis of 3-Hydroxy-3-cyanomethyl Oxindoles.","The Journal of organic chemistry","2019","84","7","4000","4008","10.1021/acs.joc.8b03194","","x-ray","0.71073","MoKα","","0.0766","0.048","","","0.091","0.1008","","","","","","1.032","","","","has coordinates","222824","2020-10-21","18:00:00",""
"4034282","10.5687","0.0017","13.919","0.002","18.485","0.003","105.636","0.002","104.25","0.002","96.415","0.002","2491.4","0.7","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N O7 -","- C29 H31 N O7 -","- C116 H124 N4 O28 -","4","2","","Vivekanand, Thavaraj; Vachan, B. S.; Karuppasamy, Muthu; Muthukrishnan, Isravel; Maheswari, C. Uma; Nagarajan, Subbiah; Bhuvanesh, Nattamai; Sridharan, Vellaisamy","Diastereoselective ABB' Three-Component Synthesis of Highly Functionalized Spirooxindoles Bearing Five Consecutive Asymmetric Carbons.","The Journal of organic chemistry","2019","84","7","4009","4016","10.1021/acs.joc.8b03270","","","0.71073","MoKα","","0.0579","0.0422","","","0.1029","0.1114","","","","","","1.054","","","","has coordinates,has disorder","222825","2020-10-21","18:00:00",""
"4034283","23.4225","0.0008","14.2185","0.0005","28.8398","0.001","90","","113.424","0.0017","90","","8813.1","0.5","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N2 O6 S3 -","- C44.67 H38 N2 O4.5 S3 -","- C357.36 H304 N16 O36 S24 -","8","2","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Aguilar, Juan A.; Hall, David; Batsanov, Andrei S.; Ren, Zhongjie; Dias, Fernando B.; Bryce, Martin R.","Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor-Acceptor Systems.","The Journal of organic chemistry","2019","84","7","3801","3816","10.1021/acs.joc.8b02848","","x-ray","1.54184","CuKα","","0.0924","0.0585","","","0.1429","0.1579","","","","","","1.023","","","","has coordinates,has disorder","222826","2020-10-21","18:00:00",""
"4034284","23.3637","0.0006","14.6487","0.0005","28.5013","0.0009","90","","112.449","0.0015","90","","9015.3","0.5","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Synthesis of 2,8-Bis(1,9-dimethyl-3-methoxyphenothiazin-10-yl)dibenzothiophene-S,S-dioxide","","- C51.6 H42 Cl1.6 N2 O4 S3 -","- C51.6 H41.9 Cl1.6 N2 O4 S3 -","- C412.8 H335.2 Cl12.8 N16 O32 S24 -","8","2","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Aguilar, Juan A.; Hall, David; Batsanov, Andrei S.; Ren, Zhongjie; Dias, Fernando B.; Bryce, Martin R.","Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor-Acceptor Systems.","The Journal of organic chemistry","2019","84","7","3801","3816","10.1021/acs.joc.8b02848","","x-ray","1.54184","CuKα","","0.1342","0.0725","","","0.1728","0.2042","","","","","","1.01","","","","has coordinates,has disorder","222827","2020-10-21","18:00:00",""
"4034285","19.4948","0.001","19.4948","0.001","35.68","0.004","90","","90","","90","","13560.1","1.8","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C54 H74 Cl6 F N5 O4 -","- C54 H74 Cl6 F N5 O4 -","- C432 H592 Cl48 F8 N40 O32 -","8","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","1.54184","CuKα","","0.0745","0.0686","","","0.1958","0.2066","","","","","","1.051","","","","has coordinates,has disorder","222828","2020-10-21","18:00:00",""
"4034286","13.56","0.003","17.972","0.004","23.795","0.005","90","","104.412","0.004","90","","5616","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Cl N5 O4 -","- C52 H72 Cl N5 O4 -","- C208 H288 Cl4 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0569","0.0407","","","0.1029","0.1118","","","","","","1.025","","","","has coordinates,has disorder","222829","2020-10-21","18:00:00",""
"4034287","9.4746","0.0004","13.2356","0.0006","14.2481","0.0007","79.948","0.003","85.978","0.003","84.632","0.003","1748.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N4 O5 S -","- C38 H42 N4 O5 S -","- C76 H84 N8 O10 S2 -","2","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.073","0.0444","","","0.099","0.1121","","","","","","1.018","","","","has coordinates","222830","2020-10-21","18:00:00",""
"4034288","25.208","0.002","16.8924","0.0013","26.912","0.002","90","","90","","90","","11459.8","1.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H162 Cl6 N10 O13 -","- C114 H162 Cl6 N10 O13 -","- C456 H648 Cl24 N40 O52 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0921","0.0783","","","0.2126","0.2297","","","","","","1.061","","","","has coordinates,has disorder","222831","2020-10-21","18:00:00",""
"4034289","9.75667","0.0001","13.67134","0.00011","14.32506","0.00012","90","","90","","90","","1910.77","0.03","299.18","0.1","299.18","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0317","0.0311","","","0.082","0.0833","","","","","","1.062","","","","has coordinates","222832","2020-10-21","18:00:00",""
"4034290","10.65608","0.00008","16.5098","0.00014","10.94821","0.00009","90","","99.8206","0.0008","90","","1897.89","0.03","298.01","0.19","298.01","0.19","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O3.5 -","- C20 H25 N3 O3.5 -","- C80 H100 N12 O14 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0462","0.044","","","0.1185","0.1205","","","","","","1.039","","","","has coordinates,has disorder","222833","2020-10-21","18:00:00",""
"4034291","21.8602","0.0002","17.8588","0.0002","39.6592","0.0004","90","","99.619","0.001","90","","15265.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H69 Au4 B F4 N O0.5 P4 -","- C84 H69 Au4 B F4 N O0.5 P4 -","- C672 H552 Au32 B8 F32 N8 O4 P32 -","8","1","","Sun, Tingting; Guo, Ping; Xie, Qiong; Zhao, Liang; Zhu, Jun","Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity.","The Journal of organic chemistry","2019","84","7","3881","3886","10.1021/acs.joc.8b02996","","","1.54184","CuKα","","0.0546","0.0524","","","0.1395","0.1413","","","","","","1.124","","","","has coordinates","222834","2020-10-21","18:00:00",""
"4034292","10.9442","0.0001","12.5152","0.0001","18.8958","0.0002","90","","90","","90","","2588.14","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 B N O4 -","- C27 H38 B N O4 -","- C108 H152 B4 N4 O16 -","4","1","","Han, Suna; Shen, Xin; Kong, Duanyang; Zi, Guofu; Hou, Guohua; Zhang, Jiaxin","Cu-Catalyzed Asymmetric Hydroboration of Naphthylallylic Compounds for Enantioselective Synthesis of Chiral Boronates.","The Journal of organic chemistry","2019","84","7","4318","4329","10.1021/acs.joc.9b00289","","x-ray","1.54184","CuKα","","0.0333","0.0302","","","0.0732","0.0741","","","","","","1.134","","","","has coordinates","222835","2020-10-21","18:00:00",""
"4034293","8.3323","0.0018","10.241","0.002","13.709","0.003","106.973","0.005","99.53","0.005","100.043","0.005","1072.2","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N2 O2 -","- C25 H18 Cl2 N2 O2 -","- C50 H36 Cl4 N4 O4 -","2","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1154","0.0674","","","0.1675","0.2112","","","","","","1.036","","","","has coordinates","222836","2020-10-21","18:00:00",""
"4034294","5.725","0.004","16.2","0.012","20.626","0.015","90","","90","","90","","1913","2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1717","0.0872","","","0.2134","0.2746","","","","","","1.013","","","","has coordinates","222837","2020-10-21","18:00:00",""
"4034295","6.084","0.0003","7.6921","0.0004","19.8288","0.001","88.317","0.002","81.705","0.002","85.227","0.002","914.93","0.08","298","2","297.96","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Gao, Wen-Chao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Wei, Wen-Long; Yang, Peng","Synthesis of 4-Sulfenyl Isoxazoles through AlCl<sub>3</sub>-Mediated Electrophilic Cyclization and Sulfenylation of 2-Alkyn-1-one O-Methyloximes.","The Journal of organic chemistry","2019","84","7","4312","4317","10.1021/acs.joc.9b00256","","","0.71073","MoKα","","0.0421","0.0365","","","0.0935","0.099","","","","","","1.06","","","","has coordinates","222838","2020-10-21","18:00:00",""
"4034296","7.9089","0.0016","8.3573","0.0017","11.052","0.002","110.57","0.03","103.01","0.03","93.22","0.03","659","0.3","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 Br2 N2 -","- C16 H10 Br2 N2 -","- C32 H20 Br4 N4 -","2","1","","Han, Yi; Hu, Zhenzhu; Liu, Meifang; Li, Mengwei; Wang, Tingting; Chen, Yulan","Synthesis, Characterization, and Properties of Diazapyrenes via Bischler-Napieralski Reaction.","The Journal of organic chemistry","2019","84","7","3953","3959","10.1021/acs.joc.8b03096","","","0.71073","MoKα","","0.0443","0.0343","","","0.0777","0.0795","","","","","","0.934","","","","has coordinates","222839","2020-10-21","18:00:00",""
"4034297","19.6655","0.0019","38.468","0.004","12.8796","0.001","90","","90","","90","","9743.3","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","zyh_wzd3651","","","- C24 H35 N O4 -","- C24 H35 N O4 -","- C384 H560 N16 O64 -","16","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54178","CuKα","","0.0742","0.0619","","","0.1828","0.1987","","","","","","0.967","","","","has coordinates","222840","2020-10-21","18:00:00",""
"4034298","13.0916","0.0001","27.1113","0.0002","13.5323","0.0001","90","","108.107","0.001","90","","4565.17","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.25 H36 N O4.25 -","- C24.25 H36 N O4.25 -","- C194 H288 N8 O34 -","8","4","","Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.","The Journal of organic chemistry","2019","84","9","5483","5491","10.1021/acs.joc.9b00440","","","1.54184","CuKα","","0.0559","0.0532","","","0.1408","0.1431","","","","","","1.032","","","","has coordinates,has disorder","222841","2020-10-21","18:00:00",""
"4034299","9.9408","0.0011","17.8727","0.0018","19.77","0.002","79.176","0.004","80.799","0.004","74.552","0.004","3302.9","0.6","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H44 Cl4 Se4 -","- C66 H44 Cl4 Se4 -","- C132 H88 Cl8 Se8 -","2","1","","Zhao, Hongyan; Ma, Ying-Chao; Cao, Lei; Huang, Shiqing; Zhang, Jian-Ping; Yan, Xiaoyu","Synthesis and Photophysical Properties of Chalcophenes-Embedded Cycloparaphenylenes.","The Journal of organic chemistry","2019","84","9","5230","5235","10.1021/acs.joc.9b00207","","","0.71073","MoKα","","0.1592","0.0863","","","0.2037","0.2348","","","","","","0.975","","","","has coordinates,has disorder","222842","2020-10-21","18:00:00",""
"4034300","7.8926","0.0011","11.6276","0.0016","13.1465","0.0018","80.62","0.002","84.361","0.002","76.77","0.002","1156.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B F2 N2 O2 -","- C25 H27 B F2 N2 O2 -","- C50 H54 B2 F4 N4 O4 -","2","1","","Wang, Jun; Li, Yongxin; Gong, Qingbao; Wang, Hua; Hao, Erhong; Lo, Pui-Chi; Jiao, Lijuan","β-AlkenylBODIPY Dyes: Regioselective Synthesis via Oxidative C-H Olefination, Photophysical Properties, and Bioimaging Studies.","The Journal of organic chemistry","2019","84","9","5078","5090","10.1021/acs.joc.9b00020","","","0.71073","MoKα","","0.0505","0.0442","","","0.1487","0.1539","","","","","","1.829","","","","has coordinates","222844","2020-10-21","18:00:00",""
"4034301","7.3364","0.0007","10.965","0.002","11.768","0.001","98.74","0.01","102.07","0.01","105.12","0.01","872","0.2","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H14 Br N -","- C25 H14 Br N -","- C50 H28 Br2 N2 -","2","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.0563","0.0462","","","0.1257","0.1311","","","","","","1.211","","","","has coordinates","222845","2020-10-21","18:00:00",""
"4034302","26.407","0.001","16.6742","0.0008","7.0484","0.0004","90","","90","","90","","3103.5","0.3","140","2","140","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C25 H14 N -","- C25 H14 N -","- C200 H112 N8 -","8","1","","Isla, Helena; Saleh, Nidal; Ou-Yang, Jiang-Kun; Dhbaibi, Kais; Jean, Marion; Dziurka, Magdalena; Favereau, Ludovic; Vanthuyne, Nicolas; Toupet, Loïc; Jamoussi, Bassem; Srebro-Hooper, Monika; Crassous, Jeanne","Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity.","The Journal of organic chemistry","2019","84","9","5383","5393","10.1021/acs.joc.9b00389","","","0.71073","MoKα","","0.1279","0.056","","","0.1074","0.1375","","","","","","0.987","","","","has coordinates","222846","2020-10-21","18:00:00",""
"4034303","8.584","0.0006","8.6172","0.0006","14.5365","0.0011","95.778","0.002","94.944","0.002","110.914","0.002","990.66","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Capretz Agy, André; Rodrigues, Jr, Manoel T; Zeoly, Lucas A.; Simoni, Deborah A.; Coelho, Fernando","Palladium-Mediated Oxidative Annulation of δ-Indolyl-α,β-Unsaturated Compounds toward the Synthesis of Cyclopenta[ b]indoles and Heterogeneous Hydrogenation To Access Fused Indolines.","The Journal of organic chemistry","2019","84","9","5564","5581","10.1021/acs.joc.9b00505","","","0.71073","MoKα","","0.0521","0.0405","","","0.102","0.1098","","","","","","1.024","","","","has coordinates","222847","2020-10-21","18:00:00",""
"4034304","7.6849","0.0006","26.3848","0.0012","37.699","0.002","90","","90","","90","","7644","0.8","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O S2 Si2 -","- C42 H50 O S2 Si2 -","- C336 H400 O8 S16 Si16 -","8","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1606","0.0909","","","0.1926","0.2299","","","","","","1.04","","","","has coordinates,has disorder","222848","2020-10-21","18:00:00",""
"4034305","8.5273","0.0003","17.779","0.0007","20.8815","0.0008","99.94","0.003","93.813","0.003","95.177","0.003","3094.6","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H90 S2 Si4 -","- C64 H90 S2 Si4 -","- C128 H180 S4 Si8 -","2","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1516","0.0746","","","0.1424","0.1738","","","","","","1.016","","","","has coordinates,has disorder","222849","2020-10-21","18:00:00",""
"4034306","10.6042","0.0003","12.9313","0.0004","16.115","0.0006","111.178","0.0019","90.073","0.003","95.912","0.002","2047.82","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C92 H92 O28 -","- C92 H92 O28 -","- C92 H92 O28 -","1","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1268","0.0823","","","0.237","0.3006","","","","","","1.053","","","","has coordinates,has disorder","222850","2020-10-21","18:00:00",""
"4034307","9.8426","0.0004","20.6842","0.0007","24.5207","0.0009","113.198","0.002","97.551","0.002","90.007","0.002","4541.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H95 N3 O34 -","- C98 H95 N3 O34 -","- C196 H190 N6 O68 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1152","0.0847","","","0.2389","0.269","","","","","","1.039","","","","has coordinates,has disorder","222851","2020-10-21","18:00:00",""
"4034308","10.7288","0.0019","13.24","0.002","16.153","0.003","69.581","0.002","85.99","0.002","83.114","0.002","2133.9","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H82 Cl18 O12 -","- C82 H82 Cl18 O12 -","- C82 H82 Cl18 O12 -","1","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","0.71073","MoKα","","0.1037","0.0943","","","0.2877","0.296","","","","","","1.059","","","","has coordinates","222852","2020-10-21","18:00:00",""
"4034309","20.2602","0.0009","18.4745","0.001","9.7083","0.0005","90","","103.791","0.004","90","","3529","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H76 O16 -","- C74 H76 O16 -","- C148 H152 O32 -","2","0.5","","Tominaga, Masahide; Kunitomi, Nobuto; Ohara, Kazuaki; Kawahata, Masatoshi; Itoh, Tsutomu; Katagiri, Kosuke; Yamaguchi, Kentaro","Hollow and Solid Spheres Assembled from Functionalized Macrocycles Containing Adamantane.","The Journal of organic chemistry","2019","84","9","5109","5117","10.1021/acs.joc.9b00069","","","1.54178","CuKα","","0.1173","0.0708","","","0.1835","0.2139","","","","","","1.021","","","","has coordinates,has disorder","222853","2020-10-21","18:00:00",""
"4034310","7.35354","0.00015","5.87211","0.00011","11.1184","0.0002","90","","95.496","0.007","90","","477.894","0.017","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","","Takashima, Katsuki; Hayakawa, Daichi; Gouda, Hiroaki; Toyooka, Naoki","Formal Syntheses of (-)-Lepadiformines A, C, and (-)-Fasicularin.","The Journal of organic chemistry","2019","84","9","5222","5229","10.1021/acs.joc.9b00071","","","1.54187","CuKα","","0.0386","0.0346","","","0.0815","0.0837","","","","","","1.087","","","","has coordinates","222854","2020-10-21","18:00:00",""
"4034311","6.8288","0.0005","10.6374","0.0008","29.546","0.0015","90","","90","","90","","2146.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Reddy, Reddy Rajasekhar; Panda, Shibaram; Ghorai, Prasanta","Enantioselective Synthesis of Cyclohexadienone Containing Spiroketals via DyKat Ketalization/oxa-Michael Addition Cascade.","The Journal of organic chemistry","2019","84","9","5357","5368","10.1021/acs.joc.9b00371","","","0.71073","MoKα","","0.1057","0.055","","","0.1061","0.1218","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034312","23.661","0.0005","23.7462","0.0005","25.8874","0.0006","90","","109.922","0.002","90","","13674.6","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C576 H640 N64 O64 -","32","8","","Mi, Xia; Feng, Weisheng; Pi, Chao; Cui, Xiuling","Iridium(III)-Catalyzed C-H Amidation of Nitrones with Dioxazolones.","The Journal of organic chemistry","2019","84","9","5305","5312","10.1021/acs.joc.9b00300","","x-ray","1.54184","CuKα","","0.0844","0.0533","","","0.1411","0.1719","","","","","","1.026","","","","has coordinates","222856","2020-10-21","18:00:00",""
"4034313","7.059","0.003","15.876","0.006","9.721","0.004","90","","92.72","0.03","90","","1088.2","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C50 H56 N12 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.073","0.0614","","","0.1561","0.1623","","","","","","1","","","","has coordinates","222857","2020-10-21","18:00:00",""
"4034314","14.606","0.004","5.425","0.002","15.6","0.004","90","","91.35","0.03","90","","1235.8","0.7","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C51 H58 Cl2 N12 -","- C51 H58 Cl2 N12 -","- C51 H58 Cl2 N12 -","1","0.5","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","1.5418","CuKα","","0.1145","0.0746","","","0.1741","0.1934","","","","","","1.002","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034315","22.199","0.006","22.199","0.006","18.664","0.006","90","","90","","120","","7965","4","200","2","200","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C75 H90 Cd6 Cl12 N18 O9 -","- C75 H84 Cd6 Cl12 N18 O9 -","- C225 H252 Cd18 Cl36 N54 O27 -","3","0.166667","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1119","0.0696","","","0.1898","0.2132","","","","","","1.055","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034316","9.394","0.003","15.759","0.004","11.845","0.004","90","","92.11","0.03","90","","1752.3","0.9","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29.6 H50.7 Cl4 N7.7 O1.6 -","- C29.606 H49.704 Cl4 N7.744 O1.512 -","- C59.212 H99.408 Cl8 N15.488 O3.024 -","2","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.039","0.0343","","","0.0806","0.0835","","","","","","1.015","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034317","12.549","0.003","13.394","0.003","20.848","0.005","77.96","0.02","82.87","0.02","64.67","0.03","3095.2","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H90 Cl8 N12 O5 -","- C50 H84 Cl8.001 N12 O5 -","- C100 H168 Cl16.002 N24 O10 -","2","2","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.081","0.0668","","","0.1714","0.1904","","","","","","1.025","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034318","14.186","0.005","15.161","0.005","15.444","0.006","97.64","0.04","117.19","0.05","91.85","0.03","2912","2","80","2","80","2","","","","","","","","5","P 1","P 1","1","","","","- C82.5 H153 Cl12 N20 O10 -","- C82.5 H140 Cl12 N20 O9.9999 -","- C82.5 H140 Cl12 N20 O9.9999 -","1","1","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1074","0.0881","","","0.2522","0.2747","","","","","","1.113","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4034319","13.2188","0.0004","8.8154","0.0003","16.5835","0.0006","90","","106.553","0.004","90","","1852.37","0.11","292","2","292","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 N2 O6 Si2 -","- C36 H58 N2 O6 Si2 -","- C72 H116 N4 O12 Si4 -","2","1","","Liu, Yuyin; Wang, Zhi-Peng; Banne, Sreenivas; Guo, Jian; He, Yun","Toward the Total Synthesis of Scabrosins: Synthesis of a Desulfur-scabrosin Skeleton and Its Stereoisomers.","The Journal of organic chemistry","2019","84","9","5838","5845","10.1021/acs.joc.9b00015","","","0.71073","MoKα","","0.0717","0.0574","","","0.1378","0.1499","","","","","","1.046","","","","has coordinates","222858","2020-10-21","18:00:00",""
"4034320","10.822","0.002","10.616","0.003","24.636","0.006","90","","90","","90","","2830.3","1.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0562","0.0535","","","0.1273","0.1292","","","","","","1.129","","","","has coordinates","222859","2020-10-21","18:00:00",""
"4034321","10.563","0.004","13.604","0.005","20.789","0.008","95.046","0.004","95.418","0.006","105.221","0.006","2849.9","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","4","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0798","0.0659","","","0.1566","0.1665","","","","","","1.097","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4034322","11.61","0.005","11.921","0.005","14.947","0.006","90","","93.993","0.006","90","","2063.7","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 B O2 Si -","- C21 H27 B O2 Si -","- C84 H108 B4 O8 Si4 -","4","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0724","0.0544","","","0.1382","0.1496","","","","","","1.093","","","","has coordinates","222861","2020-10-21","18:00:00",""
"4034323","9.87","0.0005","12.7437","0.0005","21.0391","0.0011","90","","98.435","0.002","90","","2617.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br Cl3 O S2 -","- C28 H20 Br Cl3 O S2 -","- C112 H80 Br4 Cl12 O4 S8 -","4","1","","Yu, Jing-Jing; Zhao, Li-Yang; Shi, Zhao-Tao; Zhang, Qi; London, Gabor; Liang, Wen-Jing; Gao, Chuan; Li, Ming-Ming; Cao, Xiao-Ming; Tian, He; Feringa, Ben L.; Qu, Da-Hui","Pumping a Ring-Sliding Molecular Motion by a Light-Powered Molecular Motor.","The Journal of organic chemistry","2019","84","9","5790","5802","10.1021/acs.joc.9b00783","","","0.71073","MoKα","","0.0811","0.0567","","","0.1458","0.1667","","","","","","1.05","","","","has coordinates","222862","2020-10-21","18:00:00",""
"4034324","21.012","0.003","9.291","0.0015","22.808","0.004","90","","115.469","0.002","90","","4019.9","1.1","203","","203","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C184 H176 N16 O56 -","8","1","","Liu, Zhan-Jiang; Huang, Pei-Qiang","Biomimetic Enantioselective Total Synthesis of (-)-Robustanoids A and B and Analogues.","The Journal of organic chemistry","2019","84","9","5627","5634","10.1021/acs.joc.9b00573","","","0.71073","MoKα","","0.0519","0.0496","","","0.1193","0.121","","","","","","1.0226","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034325","12.1414","0.0004","13.874","0.0006","12.6453","0.0005","90","","102.044","0.004","90","","2083.21","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Tian, Lu-Lu; Lu, Shuai; Zhang, Zhe-Hua; Huang, En-Ling; Yan, Hua-Ting; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Catalyzed Double Thiolation To Access Sulfur-Bridged Imidazopyridines with Isothiocyanate.","The Journal of organic chemistry","2019","84","9","5213","5221","10.1021/acs.joc.9b00186","","x-ray","1.54184","CuKα","","0.0594","0.046","","","0.1204","0.1348","","","","","","1.021","","","","has coordinates","222864","2020-10-21","18:00:00",""
"4034326","12.6916","0.0008","14.151","0.0008","11.559","0.0003","90","","97.054","0.004","90","","2060.27","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Tian, Lu-Lu; Lu, Shuai; Zhang, Zhe-Hua; Huang, En-Ling; Yan, Hua-Ting; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Catalyzed Double Thiolation To Access Sulfur-Bridged Imidazopyridines with Isothiocyanate.","The Journal of organic chemistry","2019","84","9","5213","5221","10.1021/acs.joc.9b00186","","x-ray","1.54184","CuKα","","0.0636","0.0468","","","0.1205","0.1362","","","","","","1.034","","","","has coordinates","222865","2020-10-21","18:00:00",""
"4034327","8.3166","0.0017","9.658","0.002","13.006","0.003","79.557","0.005","88.171","0.005","76.363","0.005","998.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N O2 S2 -","- C24 H17 N O2 S2 -","- C48 H34 N2 O4 S4 -","2","1","","Ansari, Monish A.; Yadav, Dhananjay; Soni, Sonam; Srivastava, Abhijeet; Singh, Maya Shankar","Visible-Light-Mediated Synthesis of 1,2,4-Dithiazolidines from β-Ketothioamides through a Hydrogen-Atom-Transfer Photocatalytic Approach of Eosin Y.","The Journal of organic chemistry","2019","84","9","5404","5412","10.1021/acs.joc.9b00406","","","0.71073","MoKα","","0.0591","0.0387","","","0.0896","0.1001","","","","","","1.027","","","","has coordinates","222866","2020-10-21","18:00:00",""
"4034328","29.6487","0.0011","13.0893","0.0005","17.7197","0.0007","90","","96.913","0.002","90","","6826.7","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 B O P S2 -","- C38 H36 B O P S2 -","- C304 H288 B8 O8 P8 S16 -","8","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0716","0.0534","","","0.1336","0.1447","","","","","","1.061","","","","has coordinates,has disorder","222867","2020-10-21","18:00:00",""
"4034329","11.6641","0.0007","12.1907","0.0007","14.4512","0.0009","80.433","0.002","89.399","0.002","78.359","0.002","1984","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 B O P S2 -","- C46 H52 B O P S2 -","- C92 H104 B2 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0621","0.0456","","","0.0975","0.1062","","","","","","1.034","","","","has coordinates","222868","2020-10-21","18:00:00",""
"4034330","8.8277","0.0009","12.822","0.0013","15.1587","0.0017","103.228","0.005","97.761","0.005","91.734","0.005","1651.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H45 B O S3 -","- C35 H45 B O S3 -","- C70 H90 B2 O2 S6 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0845","0.0641","","","0.1507","0.1715","","","","","","1.058","","","","has coordinates,has disorder","222869","2020-10-21","18:00:00",""
"4034331","18.0467","0.0004","20.8531","0.0004","23.1236","0.0005","90","","103.603","0.001","90","","8458","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 B O P S2 -","- C54 H44 B O P S2 -","- C432 H352 B8 O8 P8 S16 -","8","2","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0505","0.0399","","","0.1032","0.1107","","","","","","1.049","","","","has coordinates","222870","2020-10-21","18:00:00",""
"4034332","11.018","0.002","13.978","0.002","14.495","0.002","100.529","0.004","102.683","0.004","91.51","0.004","2136.1","0.6","90.15","","90.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 B Cl2 O P S2 -","- C51 H46 B Cl2 O P S2 -","- C102 H92 B2 Cl4 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0692","0.0437","","","0.0987","0.1097","","","","","","1.03","","","","has coordinates","222871","2020-10-21","18:00:00",""
"4034333","14.5432","0.0005","21.3618","0.0006","14.7634","0.0004","90","","110.208","0.001","90","","4304.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B O3 P S2 -","- C52 H48 B O3 P S2 -","- C208 H192 B4 O12 P4 S8 -","4","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.046","0.039","","","0.0885","0.0935","","","","","","1.034","","","","has coordinates","222872","2020-10-21","18:00:00",""
"4034334","33.057","0.003","8.1023","0.0006","26.4753","0.0018","90","","107.952","0.006","90","","6745.9","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H44.75 B O2 S3 -","- C35 H44.75 B O2 S3 -","- C280 H358 B8 O16 S24 -","8","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0745","0.0512","","","0.1278","0.1389","","","","","","1.043","","","","has coordinates,has disorder","222873","2020-10-21","18:00:00",""
"4034335","11.8758","0.0012","12.0304","0.0015","16.3579","0.0015","77.637","0.003","88.199","0.003","76.017","0.003","2214.7","0.4","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 B O P S2 -","- C52 H64 B O P S2 -","- C104 H128 B2 O2 P2 S4 -","2","1","","Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.","Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.","The Journal of organic chemistry","2019","84","9","5394","5403","10.1021/acs.joc.9b00398","","","0.71073","MoKα","","0.0435","0.0357","","","0.0939","0.0991","","","","","","1.051","","","","has coordinates","222874","2020-10-21","18:00:00",""
"4034336","5.80118","0.00004","13.5476","0.00006","21.7017","0.0001","90","","90","","90","","1705.58","0.016","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Rokade, Balaji V.; Guiry, Patrick J.","Enantioselective Catalytic Asymmetric A3 Coupling with Phosphino-Imidazoline Ligands.","The Journal of organic chemistry","2019","84","9","5763","5772","10.1021/acs.joc.9b00728","","","1.54184","CuKα","","0.0282","0.0277","","","0.0758","0.0763","","","","","","1.104","","","","has coordinates","222875","2020-10-21","18:00:00",""
"4034337","7.1461","0.0003","16.5305","0.0007","16.9667","0.0008","90","","90","","90","","2004.25","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 S -","- C19 H26 O5 S -","- C76 H104 O20 S4 -","4","1","","Hazarika, Hemanta; Neog, Kashmiri; Sharma, Abhilash; Das, Babulal; Gogoi, Pranjal","Three-Component Coupling Reactions of Aryne, DMSO, and Activated Alkyne: Stereoselective Synthesis of 2-[( o-Methylthio)aryloxy]-Substituted Dialkyl Maleates.","The Journal of organic chemistry","2019","84","9","5846","5854","10.1021/acs.joc.9b00090","","","0.71073","MoKα","","0.0504","0.0367","","","0.0763","0.0818","","","","","","0.937","","","","has coordinates","222876","2020-10-21","18:00:00",""
"4034338","9.38","0.001","11.273","0.0011","25.44","0.003","90","","90","","90","","2690","0.5","300","2","300.27","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 S -","- C27 H30 N2 O5 S -","- C108 H120 N8 O20 S4 -","4","1","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.0803","0.0598","","","0.1382","0.1483","","","","","","1.052","","","","has coordinates","222877","2020-10-21","18:00:00",""
"4034339","5.602","0.0006","18.4031","0.0018","24.676","0.003","90","","90.769","0.004","90","","2543.7","0.5","102","2","102.19","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 I N2 O3 -","- C26 H23 I N2 O3 -","- C104 H92 I4 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1028","0.0794","","","0.1975","0.2224","","","","","","1.03","","","","has coordinates,has disorder","222878","2020-10-21","18:00:00",""
"4034340","11.06","0.002","9.1934","0.0017","22.324","0.005","90","","94.265","0.007","90","","2263.6","0.8","100","2","99.98","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","2","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.1287","0.081","","","0.1886","0.2241","","","","","","0.99","","","","has coordinates","222879","2020-10-21","18:00:00",""
"4034341","7.3739","0.0003","9.7254","0.0003","11.292","0.0004","108.782","0.001","103.782","0.001","98.661","0.001","721.49","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0406","0.0364","","","0.0948","0.0981","","","","","","1.052","","","","has coordinates","222880","2020-10-21","18:00:00",""
"4034342","27.2621","0.0007","27.2621","0.0007","10.2163","0.0003","90","","90","","120","","6575.7","0.3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C342 H270 N18 O36 -","18","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0636","0.0451","","","0.1045","0.1143","","","","","","1.033","","","","has coordinates","222881","2020-10-21","18:00:00",""
"4034343","8.2249","0.0008","9.6794","0.0007","12.1006","0.001","71.122","0.007","84.574","0.007","71.434","0.008","864.06","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.","The Journal of organic chemistry","2019","84","9","5821","5830","10.1021/acs.joc.8b03249","","x-ray","0.71073","MoKα","","0.0642","0.0479","","","0.1317","0.143","","","","","","1.05","","","","has coordinates","222882","2020-10-21","18:00:00",""
"4034344","14.1845","0.0005","8.4955","0.0003","25.876","0.003","90","","100.645","0.007","90","","3064.5","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C120 H176 O40 -","8","1","","Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.","The Journal of organic chemistry","2019","84","9","5821","5830","10.1021/acs.joc.8b03249","","","1.54187","CuKα","","0.0998","0.0687","","","0.1973","0.2378","","","","","","1.12","","","","has coordinates","222883","2020-10-21","18:00:00",""
"4034345","14.4545","0.0004","14.4545","0.0004","11.1066","0.0004","90","","90","","120","","2009.64","0.11","93","","93","","","","","","","","","6","P 31","P 31","144","","","","- C23 H29 F3 N2 O9 S2 -","- C23 H29 F3 N2 O9 S2 -","- C69 H87 F9 N6 O27 S6 -","3","1","","Kaneko, Hiroki; Takahashi, Shunsuke; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Fawcettimine-Type Lycopodium Alkaloid, Lycopoclavamine-A.","The Journal of organic chemistry","2019","84","9","5645","5654","10.1021/acs.joc.9b00586","","","1.54187","CuKα","","0.1971","0.1076","","","0.228","0.3012","","","","","","1.369","","","","has coordinates","222884","2020-10-21","18:00:00",""
"4034346","10.654","0.001","12.563","0.002","26.016","0.004","90","","103.023","0.002","90","","3392.6","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C152 H144 N16 O40 -","8","1","","Pirovano, Valentina; Brambilla, Elisa; Rizzato, Silvia; Abbiati, Giorgio; Bozzi, Marta; Rossi, Elisabetta","Gold-Catalyzed Cascade Reactions of 4 H-Furo[3,2- b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives.","The Journal of organic chemistry","2019","84","9","5150","5166","10.1021/acs.joc.9b00143","","x-ray","0.71073","MoKα","","0.0942","0.0643","","","0.1596","0.1765","","","","","","1.03","","","","has coordinates","222885","2020-10-21","18:00:00",""
"4034347","10.5752","0.0005","11.3591","0.0006","16.2379","0.0008","79.02","0.001","82.161","0.001","70.701","0.001","1801.58","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","2","","Pirovano, Valentina; Brambilla, Elisa; Rizzato, Silvia; Abbiati, Giorgio; Bozzi, Marta; Rossi, Elisabetta","Gold-Catalyzed Cascade Reactions of 4 H-Furo[3,2- b]indoles with Allenamides: Synthesis of Indolin-3-one Derivatives.","The Journal of organic chemistry","2019","84","9","5150","5166","10.1021/acs.joc.9b00143","","x-ray","0.71073","MoKα","","0.0634","0.0489","","","0.131","0.1431","","","","","","1.025","","","","has coordinates,has disorder","222885","2020-10-21","18:00:00",""
"4034348","9.5434","0.0015","10.2429","0.0015","10.6535","0.0015","71.312","0.004","76.32","0.004","87.19","0.004","958.1","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O -","- C24 H21 N O -","- C48 H42 N2 O2 -","2","1","","Zhang, Yazhen; Huang, Liliang; Li, Xiaoyang; Wang, Le; Feng, Huangdi","Chemo- and Diastereoselective Synthesis of N-Propargyl Oxazolidines through a Copper-Catalyzed Domino A<sup>3</sup> Reaction.","The Journal of organic chemistry","2019","84","9","5046","5055","10.1021/acs.joc.8b03244","","","0.71073","MoKα","","0.1697","0.0901","","","0.1928","0.225","","","","","","1.049","","","","has coordinates,has disorder","222886","2020-10-21","18:00:00",""
"4034349","16.7664","0.0005","7.0835","0.0002","23.4964","0.0008","90","","90","","90","","2790.55","0.15","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 I2 -","- C15 H12 I2 -","- C120 H96 I16 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0385","0.0295","","","0.0587","0.0619","","","","","","1.025","","","","has coordinates","222887","2020-10-21","18:00:00",""
"4034350","10.7186","0.0003","11.7426","0.0003","12.709","0.0003","85.646","0.002","67.22","0.001","85.535","0.002","1468.54","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H22 F9 N O3 S Si -","- C30 H22 F9 N O3 S Si -","- C60 H44 F18 N2 O6 S2 Si2 -","2","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0823","0.0467","","","0.1082","0.121","","","","","","1.081","","","","has coordinates","222888","2020-10-21","18:00:00",""
"4034351","25.3984","0.0009","12.3476","0.0003","17.0885","0.0006","90","","132.247","0.003","90","","3967.1","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B N2 O Si -","- C21 H21 B N2 O Si -","- C168 H168 B8 N16 O8 Si8 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0512","0.0386","","","0.0929","0.102","","","","","","1.031","","","","has coordinates","222889","2020-10-21","18:00:00",""
"4034352","18.524","0.0006","10.8785","0.0006","13.2463","0.0006","90","","129.107","0.004","90","","2071.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","","Bollu, Amarnath; Sharma, Nagendra K.","Cleavable Amide Bond: Mechanistic Insight into Cleavable 4-Aminopyrazolyloxy Acetamide at Low pH.","The Journal of organic chemistry","2019","84","9","5596","5602","10.1021/acs.joc.9b00535","","","0.71073","MoKα","","0.0518","0.0441","","","0.1169","0.1276","","","","","","1.066","","","","has coordinates","222890","2020-10-21","18:00:00",""
"4034353","8.7598","0.0003","11.9832","0.0003","16.0074","0.0004","90","","90","","90","","1680.3","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F N2 O4 S -","- C17 H15 F N2 O4 S -","- C68 H60 F4 N8 O16 S4 -","4","1","","Zhao, Jianbo; Li, Ya; Chen, Ling-Yan; Ren, Xinfeng","Enantioselective Mannich Reactions of 3-Fluorooxindoles with Cyclic N-Sulfamidate Aldimines.","The Journal of organic chemistry","2019","84","9","5099","5108","10.1021/acs.joc.9b00007","","","0.71073","MoKα","","0.0386","0.0347","","","0.0907","0.0944","","","","","","1.039","","","","has coordinates","222891","2020-10-21","18:00:00",""
"4034354","6.1251","0.0002","17.1463","0.0005","19.4588","0.0007","90","","90.903","0.003","90","","2043.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 S3 -","- C24 H18 N2 S3 -","- C96 H72 N8 S12 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0685","0.0428","","","0.0674","0.0743","","","","","","1.082","","","","has coordinates","222892","2020-10-21","18:00:00",""
"4034355","9.7001","0.0007","10.8001","0.0008","18.1902","0.0013","90","","93.173","0.007","90","","1902.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Cl N S3 -","- C22 H12 Cl N S3 -","- C88 H48 Cl4 N4 S12 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0654","0.0439","","","0.0827","0.0957","","","","","","1.007","","","","has coordinates","222893","2020-10-21","18:00:00",""
"4034356","6.1973","0.0005","31.092","0.003","7.8625","0.0007","90","","98.747","0.007","90","","1497.4","0.2","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N S -","- C18 H17 N S -","- C72 H68 N4 S4 -","4","1","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.1695","0.0659","","","0.0803","0.1063","","","","","","0.998","","","","has coordinates","222894","2020-10-21","18:00:00",""
"4034357","9.8448","0.0009","12.6834","0.0012","15.882","0.0014","74.186","0.004","86.987","0.004","77.953","0.004","1866","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Cl N S3 -","- C22 H12 Cl N S3 -","- C88 H48 Cl4 N4 S12 -","4","2","","Schneeweis, Arno P. W.; Hauer, Simone T.; Lopez, Daniel A.; von Dressler, Björn; Reiss, Guido J.; Müller, Thomas J J","Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]thiazines with Conformation-Dependent Electronic Properties.","The Journal of organic chemistry","2019","84","9","5582","5595","10.1021/acs.joc.9b00517","","","0.71073","MoKα","","0.0578","0.0431","","","0.0781","0.0862","","","","","","1.066","","","","has coordinates,has disorder","222895","2020-10-21","18:00:00",""
"4034358","6.3002","0.0004","12.8333","0.0006","22.1179","0.001","90","","90","","90","","1788.28","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Li, Geng; Li, Heng; Zhang, Quan; Yang, Min; Gu, Yu-Cheng; Liang, Lin-Fu; Tang, Wei; Guo, Yue-Wei","Rare Cembranoids from Chinese Soft Coral Sarcophyton ehrenbergi: Structural and Stereochemical Studies.","The Journal of organic chemistry","2019","84","9","5091","5098","10.1021/acs.joc.9b00030","","","1.54178","CuKα","","0.0322","0.0301","","","0.0801","0.0815","","","","","","1.048","","","","has coordinates","222896","2020-10-21","18:00:00",""
"4034359","10.5465","0.0003","10.7385","0.0003","11.308","0.0003","90","","90","","90","","1280.67","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F3 O2 -","- C6 H7 F3 O2 -","- C48 H56 F24 O16 -","8","2","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0323","0.0288","","","0.0717","0.0731","","","","","","1.033","","","","has coordinates","222897","2020-10-21","18:00:00",""
"4034360","5.0898","0.0014","7.4264","0.0013","9.842","0.003","90","","102.18","0.03","90","","363.64","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C12 H18 F6 O6 -","2","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0985","0.0891","","","0.245","0.2599","","","","","","1.113","","","","has coordinates","222898","2020-10-21","18:00:00",""
"4034361","5.4802","0.0001","7.5663","0.0002","18.5353","0.0005","90","","90","","90","","768.56","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C24 H36 F12 O12 -","4","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0344","0.0335","","","0.0912","0.0921","","","","","","1.066","","","","has coordinates","222899","2020-10-21","18:00:00",""
"4034362","45.8821","0.0012","12.5134","0.0004","9.1092","0.0002","90","","95.645","0.002","90","","5204.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C192 H256 F64 O96 -","32","8","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0483","0.0341","","","0.1012","0.1164","","","","","","1.053","","","","has coordinates","222900","2020-10-21","18:00:00",""
"4034363","9.4854","0.0007","12.5272","0.001","13.1934","0.0016","63.411","0.01","89.962","0.008","80.155","0.006","1376.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H35 N3 -","- C33 H35 N3 -","- C66 H70 N6 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.1181","0.0951","","","0.2197","0.2328","","","","","","1.126","","","","has coordinates","222901","2020-10-21","18:00:00",""
"4034364","9.2883","0.0007","23.2285","0.0008","9.3154","0.0007","90","","109.472","0.008","90","","1894.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","2","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","","1.54187","CuKα","","0.1005","0.0411","","","0.0857","0.1371","","","","","","1.149","","","","has coordinates","222902","2020-10-21","18:00:00",""
"4034365","25.855","0.002","9.4237","0.0006","25.289","0.002","90","","114.109","0.01","90","","5624.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H35 N3 -","- C33 H35 N3 -","- C264 H280 N24 -","8","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.0907","0.069","","","0.1751","0.1887","","","","","","1.032","","","","has coordinates","222903","2020-10-21","18:00:00",""
"4034366","5.9434","0.0006","12.1854","0.0012","15.7437","0.0014","88.834","0.008","84.137","0.008","81.962","0.008","1123.07","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C54 H46 N6 O6 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfur-Promoted DABCO-Catalyzed Oxidative Trimerization of Phenylacetonitriles.","The Journal of organic chemistry","2019","84","9","5907","5912","10.1021/acs.joc.9b00408","","x-ray","0.71073","MoKα","","0.1124","0.0657","","","0.1547","0.1725","","","","","","1.031","","","","has coordinates,has disorder","222904","2020-10-21","18:00:00",""
"4034367","26.394","0.003","7.2723","0.0008","14.8685","0.0013","90","","95.381","0.008","90","","2841.4","0.5","293.39","0.1","293.39","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Zhu, Jing; Li, Rui; Su, Yan; Gu, Peiming","Synthesis of Isoindoles from Intramolecular Condensation of Benzyl Azides with α-Aryldiazoesters.","The Journal of organic chemistry","2019","84","9","5813","5820","10.1021/acs.joc.8b03180","","","0.71073","MoKα","","0.102","0.0604","","","0.1352","0.169","","","","","","1.074","","","","has coordinates","222905","2020-10-21","18:00:00",""
"4034368","12.8127","0.0008","9.6523","0.0005","15.1119","0.0009","90","","91.014","0.003","90","","1868.63","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Ag F3 N4 O2 -","- C32 H56 Ag F3 N4 O2 -","- C64 H112 Ag2 F6 N8 O4 -","2","0.5","","Mir, Roya; Rowshanpour, Rozhin; Dempsey, Katie; Pilkington, Melanie; Dudding, Travis","Selective Aerobic Oxidation of Benzylic Alcohols Catalyzed by a Dicyclopropenylidene-Ag(I) Complex.","The Journal of organic chemistry","2019","84","9","5726","5731","10.1021/acs.joc.9b00624","","","0.71073","MoKα","","0.0706","0.0608","","","0.1696","0.1827","","","","","","1.14","","","","has coordinates,has disorder","222906","2020-10-21","18:00:00",""
"4034369","7.5095","0.001","13.3501","0.0018","18.111","0.003","90","","90","","90","","1815.7","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Matsubara, Ryosuke; Kaiba, Tomoaki; Nakata, Akito; Yabuta, Tatsushi; Hayashi, Masahiko; Tsubaki, Motonari; Uchino, Takashi; Chatani, Eri","9-Aryl-3-aminocarbazole as an Environment- and Stimuli-Sensitive Fluorogen and Applications in Lipid Droplet Imaging.","The Journal of organic chemistry","2019","84","9","5535","5547","10.1021/acs.joc.9b00493","","","0.71069","MoKα","","","0.042","","","","0.0975","","","","","","1.033","","","","has coordinates","222907","2020-10-21","18:00:00",""
"4034370","15.6759","0.0005","7.256","0.0002","19.3615","0.0005","90","","111.935","0.004","90","","2042.84","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","","John, Jubi; Omanakuttan, Vishnu K.; T, Aneeja; Suresh, Cherumuttathu H.; Jones, Peter G.; Hopf, Henning","Tandem α-Arylation/Cyclization of 4-Haloacetoacetates with Arynes: A Metal-Free Approach toward 4-Aryl-3-(2 H)-furanones.","The Journal of organic chemistry","2019","84","9","5957","5964","10.1021/acs.joc.9b00488","","","0.71073","MoKα","","0.0397","0.0358","","","0.0951","0.0985","","","","","","1.054","","","","has coordinates","222908","2020-10-21","18:00:00",""
"4034371","7.3441","0.0004","8.1078","0.0006","13.414","0.0008","77.358","0.007","82.035","0.007","63.503","0.01","696.73","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br I N O -","- C15 H9 Br I N O -","- C30 H18 Br2 I2 N2 O2 -","2","1","","Mehta, Saurabh; Brahmchari, Dhirendra","Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.","The Journal of organic chemistry","2019","84","9","5492","5503","10.1021/acs.joc.9b00452","","","0.71073","MoKα","","0.0754","0.0599","","","0.144","0.1561","","","","","","1.07","","","","has coordinates","222909","2020-10-21","18:00:00",""
"4034372","9.3645","0.0006","6.711","0.0005","17.121","0.001","90","","96.72","0.006","90","","1068.58","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N O -","- C15 H9 N O -","- C60 H36 N4 O4 -","4","1","","Mehta, Saurabh; Brahmchari, Dhirendra","Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.","The Journal of organic chemistry","2019","84","9","5492","5503","10.1021/acs.joc.9b00452","","","0.71073","MoKα","","0.1052","0.0528","","","0.1054","0.1377","","","","","","1.063","","","","has coordinates","222910","2020-10-21","18:00:00",""
"4034373","7.5742","0.0006","9.6811","0.0008","14.8804","0.0012","75.378","0.007","82.224","0.006","85.679","0.006","1045.12","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 B F5 N3 O S -","- C23 H17 B F5 N3 O S -","- C46 H34 B2 F10 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.1027","0.0844","","","0.2539","0.2688","","","","","","1.154","","","","has coordinates","222911","2020-10-21","18:00:00",""
"4034374","7.475","0.0002","8.3821","0.0003","13.9171","0.0005","81.503","0.003","75.608","0.003","76.458","0.003","817.42","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H13 B Br F2 N3 O S -","- C16 H13 B Br F2 N3 O S -","- C32 H26 B2 Br2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0297","0.0243","","","0.0614","0.0629","","","","","","1.045","","","","has coordinates","222912","2020-10-21","18:00:00",""
"4034375","9.487","0.0004","9.5942","0.0003","21.6881","0.0008","89.071","0.003","83.721","0.003","73.245","0.003","1878.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 B F2 N3 O S -","- C22 H18 B F2 N3 O S -","- C88 H72 B4 F8 N12 O4 S4 -","4","2","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0555","0.0505","","","0.1344","0.1384","","","","","","0.96","","","","has coordinates","222913","2020-10-21","18:00:00",""
"4034376","14.8687","0.0005","9.9039","0.0002","14.7449","0.0004","90","","113.696","0.004","90","","1988.24","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 B F2 N4 O S -","- C23 H17 B F2 N4 O S -","- C92 H68 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0476","0.0385","","","0.0994","0.1045","","","","","","1.035","","","","has coordinates","222914","2020-10-21","18:00:00",""
"4034377","5.9096","0.0002","7.6125","0.0002","47.0191","0.0011","90","","90","","90","","2115.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B F2 N4 O S -","- C24 H23 B F2 N4 O S -","- C96 H92 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0331","0.0307","","","0.0788","0.0806","","","","","","1.074","","","","has coordinates","222915","2020-10-21","18:00:00",""
"4034378","5.4633","0.0002","7.9239","0.0004","42.334","0.002","90","","90","","90","","1832.67","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 B F2 N3 O S2 -","- C20 H16 B F2 N3 O S2 -","- C80 H64 B4 F8 N12 O4 S8 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0604","0.0554","","","0.1378","0.1396","","","","","","1.065","","","","has coordinates,has disorder","222916","2020-10-21","18:00:00",""
"4034379","7.5467","0.0003","7.0232","0.0002","39.1624","0.0013","90","","93.585","0.003","90","","2071.62","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O2 S -","- C23 H20 B F2 N3 O2 S -","- C92 H80 B4 F8 N12 O8 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.048","0.045","","","0.1197","0.1214","","","","","","1.119","","","","has coordinates","222917","2020-10-21","18:00:00",""
"4034380","11.75","0.003","5.2155","0.0013","22.757","0.005","90","","102.894","0.005","90","","1359.4","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","0.71073","MoKα","","0.0927","0.0466","","","0.1097","0.1306","","","","","","1.026","","","","has coordinates","222918","2020-10-21","18:00:00",""
"4034381","37.313","0.003","37.313","0.003","4.8514","0.0005","90","","90","","120","","5849.5","0.9","297","","297.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C288 H180 N36 O36 -","18","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","1.54178","CuKα","","0.1248","0.0808","","","0.1945","0.2233","","","","","","1.048","","","","has coordinates","222919","2020-10-21","18:00:00",""
"4034382","12.0357","0.0002","18.1671","0.0004","21.3736","0.0004","90","","91.8761","0.0016","90","","4670.91","0.16","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C208 H272 O48 -","8","2","","Ma, Tsz-Kan; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Radical Anion Cascade Triene Cyclization: Biomimetic Total Syntheses of Austalide Natural Products.","The Journal of organic chemistry","2019","84","9","4961","4970","10.1021/acs.joc.9b00142","","","1.54184","CuKα","","0.0905","0.0538","","","0.1226","0.1446","","","","","","1.01","","","","has coordinates,has disorder","222920","2020-10-21","18:00:00",""
"4034383","7.9945","0.0013","8.1909","0.0014","11.3613","0.0019","108.674","0.005","101.616","0.005","98.853","0.006","671","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C36 H28 N4 O2 -","2","1","","Belyaeva, Kseniya V.; Nikitina, Lina P.; Mal'kina, Anastasiya G.; Afonin, Andrei V.; Vashchenko, Alexander V.; Trofimov, Boris A.","Cyanoacetylenes as Triggers and Partners in KOH-Assisted Assemblies of Quinoline-Based Dihydropyrimido[1,2-<i>a</i>]quinolin-3-ones on Water.","The Journal of organic chemistry","2019","84","15","9726","9733","10.1021/acs.joc.9b01482","","","0.71073","MoKα","","0.0981","0.066","","","0.1632","0.1823","","","","","","1.055","","","","has coordinates","222921","2020-10-21","18:00:00",""
"4034384","9.6872","0.0009","12.243","0.0012","16.6225","0.0015","90","","102.063","0.003","90","","1927.9","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","1","","Narangoda, Chandima J.; Kakeshpour, Tayeb; Lex, Timothy R.; Redden, Brandon K.; Moore, Madelyn A.; Frank, Emma M.; McMillen, Colin D.; Wiskur, Sheryl L.; Kitaygorodskiy, Alex; Jackson, James E.; Whitehead, Daniel C.","Cycloaddition/Electrocyclic Ring Opening Sequence between Alkynyl Sulfides and Azodicarboxylates To Provide <i>N</i>,<i>N</i>-Dicarbamoyl 2-Iminothioimidates.","The Journal of organic chemistry","2019","84","15","9734","9743","10.1021/acs.joc.9b01515","","","0.71073","MoKα","","0.0395","0.0331","","","0.0763","0.08","","","","","","1.08","","","","has coordinates","222922","2020-10-21","18:00:00",""
"4034385","8.3957","0.0005","10.1273","0.0006","10.864","0.0006","94.618","0.003","95.332","0.004","94.579","0.004","913.18","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br N2 O6 -","- C18 H15 Br N2 O6 -","- C36 H30 Br2 N4 O12 -","2","1","","Ono, Yoshiki; Nakazaki, Atsuo; Ueki, Kaori; Higuchi, Keiko; Sriphana, Uraiwan; Adachi, Masaatsu; Nishikawa, Toshio","Asymmetric Synthesis of the Aromatic Fragment of Sespendole.","The Journal of organic chemistry","2019","84","15","9750","9757","10.1021/acs.joc.9b01597","","","1.54187","CuKα","","0.0692","0.0567","","","0.1542","0.1637","","","","","","1.099","","","","has coordinates","222923","2020-10-21","18:00:00",""
"4034386","42.404","0.006","7.2286","0.0007","20.011","0.004","90","","103.906","0.014","90","","5954","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","10 in manuscript","","","- C38 H24 O2.5 S2 -","- C38 H24 O2.5 S2 -","- C304 H192 O20 S16 -","8","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.4247","0.3019","","","0.5621","0.612","","","","","","3.154","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034387","6.3875","0.0005","15.891","0.0013","6.5698","0.0005","90","","100.771","0.0011","90","","655.11","0.09","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br4 -","- C14 H6 Br4 -","- C28 H12 Br8 -","2","0.5","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","0.71073","MoKα","","0.0229","0.0193","","","0.0451","0.0462","","","","","","1.034","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034388","21.1699","0.0009","12.3706","0.0003","25.2309","0.0011","90","","103.887","0.003","90","","6414.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","18 in manuscript","","","- C74 H78 O2 Si4 -","- C74 H78 O2 Si4 -","- C296 H312 O8 Si16 -","4","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.1784","0.0786","","","0.144","0.1845","","","","","","1.02","","","","has coordinates","222924","2020-10-21","18:00:00",""
"4034389","25.742","0.0007","12.162","0.0002","18.7326","0.0004","90","","105.989","0.002","90","","5637.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","17 in manuscript","","","- C56 H84 O2 Si6 -","- C56 H84 O2 Si6 -","- C224 H336 O8 Si24 -","4","1","","Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization.","The Journal of organic chemistry","2019","84","15","9826","9834","10.1021/acs.joc.9b01567","","","1.54178","CuKα","","0.0622","0.0463","","","0.1062","0.1169","","","","","","1.057","","","","has coordinates,has disorder","222924","2020-10-21","18:00:00",""
"4034390","14.9128","0.0009","9.6989","0.0005","19.5579","0.001","90","","96.549","0.006","90","","2810.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 N3 O2 S -","- C35 H33 N3 O2 S -","- C140 H132 N12 O8 S4 -","4","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0866","0.064","","","0.1655","0.1878","","","","","","1.041","","","","has coordinates","222925","2020-10-21","18:00:00",""
"4034391","10.2015","0.0009","10.5115","0.001","12.4818","0.0014","66.676","0.01","66.523","0.01","89.163","0.007","1110.9","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O2 S -","- C27 H25 N3 O2 S -","- C54 H50 N6 O4 S2 -","2","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0764","0.0579","","","0.1503","0.1719","","","","","","1.045","","","","has coordinates","222926","2020-10-21","18:00:00",""
"4034392","8.657","0.0007","26.7995","0.0018","10.5139","0.0008","90","","102.303","0.008","90","","2383.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O2 S -","- C28 H27 N3 O2 S -","- C112 H108 N12 O8 S4 -","4","1","","Sheng, Guorong; Li, Zhenmin; Mao, Jianming; Lu, Ping; Wang, Yanguang","General Approach To Construct Azepino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, Azocino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles, and Azonino[2,3-<i>b</i>:4,5-<i>b</i>']diindoles via Rh(II)-Catalyzed Reactions of 3-Diazoindolin-2-imines with 3-(Bromoalkyl)indoles.","The Journal of organic chemistry","2019","84","15","9561","9569","10.1021/acs.joc.9b01169","","","0.71073","MoKα","","0.0717","0.051","","","0.1191","0.1335","","","","","","1.017","","","","has coordinates","222927","2020-10-21","18:00:00",""
"4034393","13.11","0.01","8.187","0.003","19.242","0.005","90","","106.69","0.04","90","","1978.3","1.8","373","2","373","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49.6 H35.2 Cl1.2 -","- C49.6 H35.2 Cl1.2 -","- C99.2 H70.4 Cl2.4 -","2","0.5","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1021","0.0899","","","0.2498","0.2672","","","","","","1.067","","","","has coordinates,has disorder","222928","2020-10-21","18:00:00",""
"4034394","15.485","0.003","9.779","0.004","26.384","0.004","90","","96.527","0.003","90","","3969.4","1.9","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C51 H38 Cl4 -","- C51 H38 Cl4 -","- C204 H152 Cl16 -","4","1","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1095","0.0912","","","0.2565","0.2725","","","","","","1.034","","","","has coordinates,has disorder","222929","2020-10-21","18:00:00",""
"4034395","12.8137","0.0007","16.6915","0.001","10.8066","0.0007","90","","99.3292","0.0014","90","","2280.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C84 H128 N8 O24 -","4","1","","Osaka, Kazuyuki; Usami, Ayuka; Iwasaki, Tomoya; Yamawaki, Mugen; Morita, Toshio; Yoshimi, Yasuharu","Sequential Intermolecular Radical Addition and Reductive Radical Cyclization of Tyrosine and Phenylalanine Derivatives with Alkenes via Photoinduced Decarboxylation: Access to Ring-Constrained γ-Amino Acids.","The Journal of organic chemistry","2019","84","15","9480","9488","10.1021/acs.joc.9b00970","","","0.71075","MoKα","","","0.1038","","","","0.4488","","","","","","0.752","","","","has coordinates","222930","2020-10-21","18:00:00",""
"4034396","11.2529","0.0006","10.6509","0.0006","15.9247","0.0009","90","","102.231","0.006","90","","1865.31","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 O P S2 -","- C17 H27 O P S2 -","- C68 H108 O4 P4 S8 -","4","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","0.71073","MoKα","","0.0332","0.0276","","","0.0667","0.0699","","","","","","1.031","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034397","7.6112","0.0001","11.6546","0.0002","22.0545","0.0004","90","","97.261","0.002","90","","1940.67","0.06","173","2","173","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 P S3 -","- C17 H27 P S3 -","- C68 H108 P4 S12 -","4","2","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","x-ray","1.54184","CuKα","","0.0431","0.0426","","","0.1135","0.1143","","","","","","1.068","","","","has coordinates,has disorder","222931","2020-10-21","18:00:00",""
"4034398","7.6056","0.0003","11.6865","0.0004","11.2799","0.0004","90","","101.66","0.002","90","","981.9","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 P S2 Se -","- C17 H27 P S2 Se -","- C34 H54 P2 S4 Se2 -","2","1","","Karpus, Andrii; Daran, Jean-Claude; Poli, Rinaldo; Mazières, Stéphane; Destarac, Mathias A.; Manoury, Eric","Synthesis of <i>S</i>-Alkyl Phosphinocarbodithioates with Switch between P(III) and P(V) Derivatives.","The Journal of organic chemistry","2019","84","15","9446","9453","10.1021/acs.joc.9b00590","","","0.71073","MoKα","","0.0345","0.0285","","","0.0589","0.0675","","","","","","1.065","","","","has coordinates","222931","2020-10-21","18:00:00",""
"4034399","10.4256","0.0008","5.0334","0.0003","12.3473","0.0008","90","","100.178","0.007","90","","637.74","0.08","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0537","0.0421","","","0.0821","0.0871","","","","","","1.049","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034400","12.01317","0.00019","5.15118","0.00008","25.5406","0.0004","90","","100.633","0.0016","90","","1553.36","0.04","150","0.14","150","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","2","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0501","0.0416","","","0.0954","0.1","","","","","","1.05","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034401","8.21878","0.00012","15.829","0.0002","29.2661","0.0004","90","","90","","90","","3807.38","0.09","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C180 H264 O24 -","12","3","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0464","0.0392","","","0.0888","0.0926","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034402","5.43829","0.00016","13.3879","0.0004","16.7506","0.0004","90","","90","","90","","1219.57","0.06","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0546","0.0435","","","0.094","0.0986","","","","","","1.025","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034403","5.6645","0.0008","11.4388","0.0017","21.259","0.004","90","","92.242","0.014","90","","1376.4","0.4","298","0.1","298","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Conboy, Darren; Mirallai, Styliana I.; Craig, Austin; McArdle, Patrick; Al-Kinani, Ali A; Barton, Stephen; Aldabbagh, Fawaz","Incorporating Morpholine and Oxetane into Benzimidazolequinone Antitumor Agents: The Discovery of 1,4,6,9-Tetramethoxyphenazine from Hydrogen Peroxide and Hydroiodic Acid-Mediated Oxidative Cyclizations.","The Journal of organic chemistry","2019","84","15","9811","9818","10.1021/acs.joc.9b01427","","","0.71073","MoKα","","0.173","0.1293","","","0.3623","0.39","","","","","","1.243","","","","has coordinates","222934","2020-10-21","18:00:00",""
"4034404","10.1616","0.0006","10.1802","0.0007","13.8624","0.0009","87.935","0.006","86.834","0.005","64","0.006","1286.81","0.16","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl N2 O3 -","- C12 H17 Cl N2 O3 -","- C48 H68 Cl4 N8 O12 -","4","2","","Conboy, Darren; Mirallai, Styliana I.; Craig, Austin; McArdle, Patrick; Al-Kinani, Ali A; Barton, Stephen; Aldabbagh, Fawaz","Incorporating Morpholine and Oxetane into Benzimidazolequinone Antitumor Agents: The Discovery of 1,4,6,9-Tetramethoxyphenazine from Hydrogen Peroxide and Hydroiodic Acid-Mediated Oxidative Cyclizations.","The Journal of organic chemistry","2019","84","15","9811","9818","10.1021/acs.joc.9b01427","","","0.71073","MoKα","","0.088","0.0682","","","0.1703","0.1834","","","","","","1.124","","","","has coordinates","222935","2020-10-21","18:00:00",""
"4034405","9.4881","0.0008","34.08","0.004","21.122","0.002","90","","90","","90","","6829.9","1.2","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C75 H65 B F2 N2 -","- C75 H65 B F2 N2 -","- C300 H260 B4 F8 N8 -","4","0.5","","Miao, Wei; Feng, Yuanmei; Wu, Qinghua; Sheng, Wanle; Li, Mao; Liu, Qingyun; Hao, Erhong; Jiao, Lijuan","Phenanthro[<i>b</i>]-Fused BODIPYs through Tandem Suzuki and Oxidative Aromatic Couplings: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2019","84","15","9693","9704","10.1021/acs.joc.9b01425","","","0.71073","MoKα","","0.1163","0.069","","","0.1591","0.1828","","","","","","1.04","","","","has coordinates","222936","2020-10-21","18:00:00",""
"4034406","7.2849","0.0011","8.8114","0.0013","13.947","0.002","92.768","0.002","99.629","0.003","113.402","0.002","803.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Wang, Mingshan; Shi, Lou; Li, Yifei; Liu, Qun; Pan, Ling","Synthesis of γ-Pyrones from Formal [4 + 2] Cyclization of Ketene Dithioacetals with Acyl Chlorides.","The Journal of organic chemistry","2019","84","15","9603","9610","10.1021/acs.joc.9b01254","","","0.71073","MoKα","","0.0642","0.0478","","","0.118","0.1409","","","","","","1.091","","","","has coordinates","222937","2020-10-21","18:00:00",""
"4034407","12.238","0.0001","12.238","0.0001","13.7036","0.0002","90","","90","","90","","2052.37","0.04","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0289","0.0284","","","0.0704","0.0708","","","","","","1.078","","","","has coordinates","222938","2020-10-21","18:00:00",""
"4034408","8.0131","0.0002","8.5786","0.0002","18.3195","0.0005","90","","90","","90","","1259.3","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0562","0.0535","","","0.1524","0.1569","","","","","","1.065","","","","has coordinates","222939","2020-10-21","18:00:00",""
"4034409","11.6263","0.0001","13.4946","0.0001","11.7477","0.0001","90","","90.512","0.001","90","","1843.05","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N P -","- C24 H24 N P -","- C96 H96 N4 P4 -","4","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","1.54178","CuKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.037","","","","has coordinates","222940","2020-10-21","18:00:00",""
"4034410","9.7187","0.0009","5.5986","0.0005","23.953","0.003","90","","99.621","0.011","90","","1285","0.2","199.96","0.1","199.96","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br O4 -","- C13 H15 Br O4 -","- C52 H60 Br4 O16 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","0.71073","MoKα","","0.0769","0.0472","","","0.09","0.1019","","","","","","1.067","","","","has coordinates","222941","2020-10-21","18:00:00",""
"4034411","9.069","0.002","9.761","0.003","9.779","0.003","90","","108.224","0.003","90","","822.2","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C40 H42 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","","0.71073","MoKα","","0.0354","0.034","","","0.0788","0.0803","","","","","","1.052","","","","has coordinates","222942","2020-10-21","18:00:00",""
"4034412","7.39581","0.00012","9.46599","0.00017","13.8475","0.0002","90","","90","","90","","969.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0313","0.0312","","","0.0809","0.0811","","","","","","1.132","","","","has coordinates","222943","2020-10-21","18:00:00",""
"4034413","8.0054","0.0001","7.7314","0.0001","8.6884","0.0001","90","","95.249","0.001","90","","535.496","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0674","0.0675","","","","","","1.103","","","","has coordinates","222944","2020-10-21","18:00:00",""
"4034414","10.3937","0.0002","18.5331","0.0003","38.2687","0.0006","90","","90","","90","","7371.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H55 N O2.5 P -","- C40 H55 N O2.5 P -","- C320 H440 N8 O20 P8 -","8","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0513","0.048","","","0.1306","0.1335","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034415","8.3691","0.0002","9.9458","0.0002","22.7743","0.0005","90","","90","","90","","1895.67","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O2 P -","- C24 H22 N O2 P -","- C96 H88 N4 O8 P4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0569","0.0498","","","0.1104","0.1182","","","","","","1.007","","","","has coordinates","222946","2020-10-21","18:00:00",""
"4034416","16.4812","0.0002","16.4812","0.0002","16.0775","0.0003","90","","90","","90","","4367.13","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0278","0.0272","","0.0696","0.0689","0.0696","","","","","","1.0029","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034417","16.4674","0.0002","16.4674","0.0002","15.659","0.0004","90","","90","","90","","4246.33","0.13","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C184 H224 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0284","0.0277","","0.0713","0.0706","0.0713","","","","","","1.0023","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034418","16.3993","0.0002","16.3993","0.0002","15.9819","0.0003","90","","90","","90","","4298.12","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C184 H224 N16 O48 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0292","0.0287","","0.0806","0.0799","0.0806","","","","","","1.0153","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034419","9.0534","0.0001","11.9701","0.0002","22.0969","0.0003","90","","90","","90","","2394.64","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0329","0.0313","","0.0821","0.0805","0.0821","","","","","","0.9952","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034421","7.1712","0.0008","8.3963","0.0009","29.02","0.003","90","","90","","90","","1747.3","0.3","128","2","128","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 1","","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C72 H64 O24 S8 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0398","","","0.106","0.1136","","","","","","1.08","","","","has coordinates","222948","2020-10-21","18:00:00",""
"4034422","8.383","0.007","9.251","0.008","13.884","0.013","90.71","0.03","107.221","0.019","101.633","0.019","1004.3","1.5","102","2","102","2","","","","","","","","4","P -1","-P 1","2","C18H16O6S2","","","- C20 H22 O7 S3 -","- C20 H22 O7 S3 -","- C40 H44 O14 S6 -","2","1","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0811","0.0479","","","0.0966","0.1079","","","","","","1.123","","","","has coordinates","222949","2020-10-21","18:00:00",""
"4034423","8.5494","0.0004","10.8559","0.0005","9.9111","0.0005","90","","95.013","0.002","90","","916.34","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C9H7O2SBr","","","- C9 H7 Br O2 S -","- C9 H7 Br O2 S -","- C36 H28 Br4 O8 S4 -","4","1","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.024","0.0221","","","0.0569","0.0577","","","","","","1.073","","","","has coordinates","222950","2020-10-21","18:00:00",""
"4034424","18.3651","0.0007","11.6589","0.0004","17.9089","0.0007","90","","118.612","0.001","90","","3366.3","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Crystal-2","","","- C18 H16 O6 S2 -","- C18 H16 O6 S2 -","- C144 H128 O48 S16 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0403","","","0.1079","0.1145","","","","","","1.036","","","","has coordinates","222951","2020-10-21","18:00:00",""
"4034425","14.1638","0.0003","14.8141","0.0003","7.77","0.0002","90","","90","","90","","1630.33","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H25 N O3 S -","- C15 H25 N O3 S -","- C60 H100 N4 O12 S4 -","4","1","","Kralt, Braden; Moreira, Ryan; Palmer, Michael; Taylor, Scott D.","Total Synthesis of A54145 Factor D.","The Journal of organic chemistry","2019","84","18","12021","12030","10.1021/acs.joc.9b01938","","","0.71073","MoKα","","0.0334","0.0306","","","0.0769","0.0785","","","","","","1.215","","","","has coordinates","222952","2020-10-21","18:00:00",""
"4034426","32.134","0.004","10.0646","0.0011","17.425","0.002","90","","122.84","","90","","4734.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N2 O -","- C31 H30 N2 O -","- C248 H240 N16 O8 -","8","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer","(Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.","The Journal of organic chemistry","2019","84","18","11513","11523","10.1021/acs.joc.9b00709","","","0.71073","MoKα","","0.1356","0.0462","","","0.1034","0.145","","","","","","0.85","","","","has coordinates","222953","2020-10-21","18:00:00",""
"4034427","10.06","0.005","12.876","0.005","15.353","0.005","90","0.005","101.971","0.005","90","0.005","1945.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer","(Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.","The Journal of organic chemistry","2019","84","18","11513","11523","10.1021/acs.joc.9b00709","","","0.71073","MoKα","","0.0944","0.0511","","","0.1314","0.1608","","","","","","0.961","","","","has coordinates","222954","2020-10-21","18:00:00",""
"4034428","9.5058","0.0007","9.7689","0.0006","10.3324","0.0006","98.427","0.005","105.26","0.006","99.585","0.006","894.26","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C38 H38 N2 O12 S2 -","2","1","","Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao","Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines.","The Journal of organic chemistry","2019","84","18","11863","11872","10.1021/acs.joc.9b01713","","x-ray","1.54184","CuKα","","0.0404","0.0375","","","0.1023","0.1057","","","","","","1.0869","","","","has coordinates","222955","2020-10-21","18:00:00",""
"4034429","9.2602","0.0009","9.6004","0.0009","11.0248","0.0008","67.889","0.008","81.813","0.008","89.11","0.008","898.01","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C38 H38 N2 O12 S2 -","2","1","","Chen, Shuqi; Yao, Yongqi; Yang, Wen; Lin, Qifu; Wang, Lin; Li, Huanyong; Chen, Donghan; Tan, Yun; Yang, Dingqiao","Three-Component Cycloaddition To Synthesize Aziridines and 1,2,3-Triazolines.","The Journal of organic chemistry","2019","84","18","11863","11872","10.1021/acs.joc.9b01713","","x-ray","0.71073","MoKα","","0.0739","0.0519","","","0.1177","0.1378","","","","","","1.0707","","","","has coordinates","222956","2020-10-21","18:00:00",""
"4034430","10.66","0.0012","8.2642","0.0009","16.2137","0.0017","90","","96.03","0.003","90","","1420.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.046","0.0389","","","0.0986","0.103","","","","","","1.073","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034431","8.203","0.002","21.807","0.007","10.328","0.003","90","","105.567","0.011","90","","1779.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C92 H80 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1267","0.0663","","","0.1506","0.1826","","","","","","1.031","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034432","20.246","0.002","4.8365","0.0005","31.055","0.003","90","","90.496","0.003","90","","3040.8","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 O4 -","- C17 H14 Cl2 O4 -","- C136 H112 Cl16 O32 -","8","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0348","0.0304","","","0.0714","0.0738","","","","","","1.052","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034433","11.8572","0.0004","21.4415","0.0007","7.3083","0.0003","90","","107.84","0.002","90","","1768.69","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0457","0.0359","","","0.0864","0.0916","","","","","","1.047","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034434","12.6139","0.0009","14.2691","0.001","9.0436","0.0007","90","","104.041","0.001","90","","1579.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1402","0.0433","","","0.0906","0.1211","","","","","","0.958","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034435","8.2452","0.0003","7.9051","0.0003","27.3274","0.001","90","","90.186","0.001","90","","1781.17","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0444","0.0354","","","0.0871","0.0924","","","","","","1.032","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034436","9.7914","0.0003","11.0553","0.0004","14.4153","0.0005","90","","105.144","0.001","90","","1506.22","0.09","99","2","99","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0386","0.0336","","","0.0864","0.09","","","","","","1.056","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034437","16.044","0.0014","11.1195","0.0009","10.6719","0.0008","90","","93.585","0.003","90","","1900.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0585","0.0431","","","0.097","0.1043","","","","","","1.034","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034438","11.4341","0.0007","12.3823","0.0008","13.3138","0.0007","78.593","0.003","84.868","0.003","87.793","0.003","1839.91","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","2","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.0641","0.0556","","","0.1585","0.1691","","","","","","1.068","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034439","16.1741","0.0016","8.5137","0.0008","28.773","0.003","90","","97.242","0.003","90","","3930.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 O10 -","- C46 H52 O10 -","- C184 H208 O40 -","4","1","","Chang, Meng-Yang; Chen, Shin-Mei; Hsiao, Yu-Ting","Trifluoroacetic Anhydride Mediated One-Pot Synthesis of 1-Aryl Isochroman-3-ones via the Carboxy-Pictet-Spengler Reaction.","The Journal of organic chemistry","2019","84","18","11687","11698","10.1021/acs.joc.9b01605","","","0.71073","MoKα","","0.1227","0.0635","","","0.127","0.1502","","","","","","1.036","","","","has coordinates","222957","2020-10-21","18:00:00",""
"4034440","11.3081","0.0003","10.6674","0.0003","13.9179","0.0004","90","","101.426","0.003","90","","1645.62","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-benzyl-3-vinyl-1,4-diazaspiro[5.5]undecane-2,5-dione","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","2","","Faltracco, Matteo; Cotogno, Silvia; Vande Velde, Christophe M. L.; Ruijter, Eelco","Catalytic Asymmetric Synthesis of Diketopiperazines by Intramolecular Tsuji-Trost Allylation.","The Journal of organic chemistry","2019","84","18","12058","12070","10.1021/acs.joc.9b01994","","x-ray","1.54184","CuKα","","0.064","0.0478","","","0.1064","0.118","","","","","","1.015","","","","has coordinates","222958","2020-10-21","18:00:00",""
"4034441","15.48","0.005","11.486","0.004","23.094","0.008","90","","90","","90","","4106","2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C200 H144 F24 N24 O8 -","8","1","","Li, Kun; Chen, Li; Fan, Yun-Xiang; Wei, Yao; Yan, Sheng-Jiao","Multicomponent Tether Catalysis Synthesis of Highly Functionalized 4-(Pyridin-2-ylmethyl)-2-aminopyrroles via Cascade Reaction Is Accompanied by Decarboxylation.","The Journal of organic chemistry","2019","84","18","11971","11982","10.1021/acs.joc.9b01814","","","0.71073","MoKα","","0.203","0.0657","","","0.1057","0.1532","","","","","","0.997","","","","has coordinates,has disorder","222959","2020-10-21","18:00:00",""
"4034442","12.4847","0.0006","7.9336","0.0004","13.1642","0.0006","90","","115.119","0.002","90","","1180.58","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 O2 S -","- C12 H9 Cl N2 O2 S -","- C48 H36 Cl4 N8 O8 S4 -","4","1","","Padmaja, Ramsingh Dhanbahadur; Balamurali, Musuvathi Motilal; Chanda, Kaushik","One-Pot, Telescopic Approach for the Chemoselective Synthesis of Substituted Benzo[<i>e</i>]pyrido/pyrazino/pyridazino[1,2-<i>b</i>][1,2,4]thiadiazine dioxides and Their Significance in Biological Systems †.","The Journal of organic chemistry","2019","84","18","11382","11390","10.1021/acs.joc.9b00869","","","0.71073","MoKα","","0.0439","0.0389","","","0.1055","0.1108","","","","","","1.104","","","","has coordinates","222960","2020-10-21","18:00:00",""
"4034443","31.797","0.0017","11.539","0.001","19.088","0.0018","90","","94.402","0.008","90","","6982.8","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C320 H448 O24 -","4","1","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0585","0.0535","","","0.1418","0.146","","","","","","1.017","","","","has coordinates,has disorder","222961","2020-10-21","18:00:00",""
"4034444","13.341","0.006","16.117","0.004","17.567","0.006","90","","108.21","0.02","90","","3588","2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C160 H224 O12 -","2","0.5","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0642","0.05","","","0.1314","0.1427","","","","","","1.049","","","","has coordinates","222962","2020-10-21","18:00:00",""
"4034445","8.2196","0.0004","10.7227","0.0006","11.3119","0.0005","66.681","0.005","87.343","0.004","71.985","0.005","867.36","0.09","129.99","","129.99","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","1.54184","CuKα","","0.0517","0.0423","","","0.1088","0.1132","","","","","","1.0553","","","","has coordinates","222963","2020-10-21","18:00:00",""
"4034446","10.6738","0.0009","6.1061","0.0004","27.463","0.003","90","","95.812","0.008","90","","1780.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","0.71073","MoKα","","0.0627","0.0465","","","0.0941","0.1017","","","","","","1.051","","","","has coordinates","222964","2020-10-21","18:00:00",""
"4034447","12.6492","0.0004","8.7038","0.0004","14.8276","0.0007","90","","104.369","0.004","90","","1581.39","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Synofzik, Judith; Dar'in, Dmitry; Novikov, Mikhail S.; Kantin, Grigory; Bakulina, Olga; Krasavin, Mikhail","α-Acyl-α-diazoacetates in Transition-Metal-Free β-Lactam Synthesis.","The Journal of organic chemistry","2019","84","18","12101","12110","10.1021/acs.joc.9b02030","","","1.54184","CuKα","","0.0479","0.0405","","","0.1077","0.1144","","","","","","1.0359","","","","has coordinates","222965","2020-10-21","18:00:00",""
"4034448","12.4419","0.0003","5.90535","0.00012","15.1818","0.0011","90","","100.222","0.007","90","","1097.76","0.09","93.1","","93.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 O3 -","- C12 H9 F3 O3 -","- C48 H36 F12 O12 -","4","1","","Zhang, Tianyuan; Shimizu, Yuhei; Fukaya, Shuhei; Sawa, Tomofumi; Maekawa, Hirofumi","Construction of a CF<sub>3</sub>-Containing Benzofurofuranone Skeleton from Coumarins via Reductive Coupling and Acid-Mediated Ring Contraction.","The Journal of organic chemistry","2019","84","18","12165","12171","10.1021/acs.joc.9b01439","","","1.54187","CuKα","","","0.0466","","","","0.1321","","","","","","1.068","","","","has coordinates","222966","2020-10-21","18:00:00",""
"4034449","5.6471","0.0002","14.5583","0.0004","13.5116","0.0004","90","","98.2257","0.0007","90","","1099.39","0.06","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N3 O2 -","- C25 H26 Br N3 O2 -","- C50 H52 Br2 N6 O4 -","2","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0305","0.0303","","","0.0801","0.0805","","","","","","1.058","","","","has coordinates","222967","2020-10-21","18:00:00",""
"4034450","8.8126","0.0002","14.1981","0.0003","18.1609","0.0004","90","","90","","90","","2272.33","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0307","0.0297","","","0.0782","0.0792","","","","","","1.031","","","","has coordinates,has disorder","222968","2020-10-21","18:00:00",""
"4034451","7.7296","0.0005","9.4178","0.0006","11.3595","0.0007","95.41","0.004","107.142","0.004","108.192","0.004","734.72","0.09","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","","0.71073","MoKα","","0.0871","0.0544","","","0.1591","0.182","","","","","","1.054","","","","has coordinates","222969","2020-10-21","18:00:00",""
"4034452","8.9313","0.0018","9.6546","0.0017","13.094","0.002","90","","96.289","0.018","90","","1122.3","0.3","197","130","197","130","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.1169","0.0833","","","0.2027","0.248","","","","","","1.158","","","","has coordinates","222970","2020-10-21","18:00:00",""
"4034453","7.0898","0.0004","9.8867","0.0004","14.0714","0.0007","90","","99.057","0.005","90","","974.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0784","0.0599","","","0.15","0.1597","","","","","","1.139","","","","has coordinates","222971","2020-10-21","18:00:00",""
"4034454","7.1948","0.0003","13.3348","0.0005","9.1745","0.0003","90","","107.609","0.004","90","","838.97","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.134","0.1397","","","","","","1.116","","","","has coordinates","222972","2020-10-21","18:00:00",""
"4034455","8.8591","0.0004","12.2957","0.0004","9.3813","0.0004","90","","104.579","0.005","90","","988.99","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.0489","0.0433","","","0.1198","0.1246","","","","","","1.137","","","","has coordinates","222973","2020-10-21","18:00:00",""
"4034456","6.7285","0.0017","6.8933","0.0014","9.436","0.0016","96.507","0.016","104.492","0.019","98.12","0.019","414.41","0.16","114","20","114","20","","","","","","","","3","P -1","-P 1","2","","","","- C10 H7 N3 -","- C10 H7 N3 -","- C20 H14 N6 -","2","1","","Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit","Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.","The Journal of organic chemistry","2019","84","18","12031","12039","10.1021/acs.joc.9b01946","","x-ray","0.71073","MoKα","","0.1049","0.0812","","","0.2168","0.2483","","","","","","1.069","","","","has coordinates","222974","2020-10-21","18:00:00",""
"4034457","17.0502","0.0008","12.2438","0.0006","16.2974","0.0008","90","","116.408","0.002","90","","3047.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Cl N2 Pd -","- C34 H41 Cl N2 Pd -","- C136 H164 Cl4 N8 Pd4 -","4","1","","Reeves, Emily K.; Humke, Jenna N.; Neufeldt, Sharon R.","N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling.","The Journal of organic chemistry","2019","84","18","11799","11812","10.1021/acs.joc.9b01692","","x-ray","0.71073","MoKα","","0.0415","0.0281","","","0.0636","0.0686","","","","","","1.06","","","","has coordinates","222975","2020-10-21","18:00:00",""
"4034458","15.3184","0.0012","16.1014","0.0011","17.6466","0.0013","90","","105.951","0.003","90","","4184.9","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Cl N2 Pd -","- C40 H53 Cl N2 Pd -","- C160 H212 Cl4 N8 Pd4 -","4","1","","Reeves, Emily K.; Humke, Jenna N.; Neufeldt, Sharon R.","N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling.","The Journal of organic chemistry","2019","84","18","11799","11812","10.1021/acs.joc.9b01692","","x-ray","0.71073","MoKα","","0.0399","0.0272","","","0.0647","0.0707","","","","","","1.038","","","","has coordinates","222976","2020-10-21","18:00:00",""
"4034459","11.1195","0.0006","18.96","0.0009","19.2929","0.001","117.806","0.003","90.313","0.003","91.209","0.003","3596.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H18 F3 N3 O -","- C23 H18 F3 N3 O -","- C161 H126 F21 N21 O7 -","7","7","","Kriegelstein, Michal; Profous, David; Lyčka, Antonín; Trávníček, Zdeněk; Přibylka, Adam; Volná, Tereza; Benická, Sandra; Cankař, Petr","Axially Chiral Trifluoromethylbenzimidazolylbenzoic Acid: A Chiral Derivatizing Agent for α-Chiral Primary Amines and Secondary Alcohols To Determine the Absolute Configuration.","The Journal of organic chemistry","2019","84","18","11911","11921","10.1021/acs.joc.9b01770","","","0.71073","MoKα","","0.1416","0.0651","","","0.0952","0.111","","","","","","0.951","","","","has coordinates,has disorder","222977","2020-10-21","18:00:00",""
"4034460","8.5425","0.0017","11.979","0.002","17.812","0.004","90","","90","","90","","1822.7","0.6","163","2","163.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br F N2 O2 -","- C22 H16 Br F N2 O2 -","- C88 H64 Br4 F4 N8 O8 -","4","1","","Li, Bing-Yu; Lin, Ye; Du, Da-Ming","Organocatalytic Asymmetric Mannich Addition of 3-Fluorooxindoles to Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepines: Highly Enantioselective Construction of Tetrasubstituted C-F Stereocenters.","The Journal of organic chemistry","2019","84","18","11752","11762","10.1021/acs.joc.9b01507","","","0.71073","MoKα","","0.0457","0.043","","","0.0948","0.0967","","","","","","1.06","","","","has coordinates","222978","2020-10-21","18:00:00",""
"4034461","19.343","0.003","9.986","0.0009","12.0587","0.0013","90","","108.317","0.008","90","","2211.2","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.1159","0.0539","","","0.1394","0.1732","","","","","","1.034","","","","has coordinates","222979","2020-10-21","18:00:00",""
"4034462","16.9833","0.0006","6.3684","0.0003","19.2501","0.0005","90","","90","","90","","2082.02","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.0444","0.035","","","0.0918","0.0975","","","","","","1.048","","","","has coordinates","222980","2020-10-21","18:00:00",""
"4034463","7.8798","0.0007","11.5501","0.0008","21.2513","0.0019","90","","100.393","0.008","90","","1902.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","","Wang, Qian; Osipyan, Angelina; Konstantinidou, Markella; Butera, Roberto; Mgimpatsang, Kumchok C.; Shishkina, Svitlana V.; Dömling, Alexander","Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles.","The Journal of organic chemistry","2019","84","18","12148","12156","10.1021/acs.joc.9b01258","","","0.71073","MoKα","","0.1459","0.0642","","","0.157","0.1954","","","","","","0.87","","","","has coordinates","222981","2020-10-21","18:00:00",""
"4034464","12.5401","0.0015","11.523","0.0017","13.5777","0.0018","90","","96.662","0.01","90","","1948.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl N3 O2 -","- C21 H20 Cl N3 O2 -","- C84 H80 Cl4 N12 O8 -","4","1","","Wang, Qian; Osipyan, Angelina; Konstantinidou, Markella; Butera, Roberto; Mgimpatsang, Kumchok C.; Shishkina, Svitlana V.; Dömling, Alexander","Pd-Catalyzed de Novo Assembly of Diversely Substituted Indole-Fused Polyheterocycles.","The Journal of organic chemistry","2019","84","18","12148","12156","10.1021/acs.joc.9b01258","","","0.71073","MoKα","","0.1518","0.0647","","","0.1465","0.1823","","","","","","0.872","","","","has coordinates","222982","2020-10-21","18:00:00",""
"4034465","9.4352","0.001","8.4152","0.0009","14.7368","0.0017","90","","97.276","0.011","90","","1160.7","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Martin, Daniel J.; Mercado, Brandon Q.; Mayer, James M.","Synthesis and Prior Misidentification of 4-<i>tert</i>-Butyl-2,6-dinitrobenzaldehyde.","The Journal of organic chemistry","2019","84","18","12172","12176","10.1021/acs.joc.9b01737","","","0.71073","MoKα","","0.0629","0.0532","","","0.1443","0.1497","","","","","","1.03","","","","has coordinates","222983","2020-10-21","18:00:00",""
"4034466","18.7889","0.0011","10.5423","0.0006","11.6936","0.0007","90","","91.857","0.005","90","","2315","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C88 H96 N16 O40 -","8","2","","Martin, Daniel J.; Mercado, Brandon Q.; Mayer, James M.","Synthesis and Prior Misidentification of 4-<i>tert</i>-Butyl-2,6-dinitrobenzaldehyde.","The Journal of organic chemistry","2019","84","18","12172","12176","10.1021/acs.joc.9b01737","","","0.71073","MoKα","","0.0724","0.0484","","","0.1078","0.1204","","","","","","1.045","","","","has coordinates","222984","2020-10-21","18:00:00",""
"4034467","12.8015","0.0001","8.1119","0.0001","15.1341","0.0001","90","","108.066","0.001","90","","1494.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","2","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0745","0.0754","","","","","","1.037","","","","has coordinates","222985","2020-10-21","18:00:00",""
"4034468","10.566","0.0002","17.6181","0.0004","17.1644","0.0004","90","","99.086","0.002","90","","3155.11","0.12","100","0.13","100","0.13","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0615","0.0579","","","0.164","0.1679","","","","","","1.052","","","","has coordinates,has disorder","222986","2020-10-21","18:00:00",""
"4034469","10.0534","0.0002","16.7674","0.0003","18.6721","0.0003","90","","90","","90","","3147.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O5 -","- C36 H35 N3 O5 -","- C144 H140 N12 O20 -","4","1","","Fan, Ying; Lu, Jian; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Cu(I)-Catalyzed Asymmetric Mannich Reaction of Glycine Schiff Bases to Ketimines.","The Journal of organic chemistry","2019","84","18","11639","11648","10.1021/acs.joc.9b01566","","","1.54178","CuKα","","0.0378","0.0354","","","0.0958","0.0986","","","","","","1.023","","","","has coordinates","222987","2020-10-21","18:00:00",""
"4034470","9.6255","0.0004","11.1263","0.0005","17.2047","0.0008","106.863","0.002","98.061","0.002","93.61","0.002","1735.43","0.14","170","2","170.01","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl3 F N3 O5 S2 -","- C34 H31 Cl3 F N3 O5 S2 -","- C68 H62 Cl6 F2 N6 O10 S4 -","2","1","","Chen, Changwei; Cui, Sunliang","Iterative Assembly of Nitrile Oxides and Ynamides: Synthesis of Isoxazoles and Pyrroles.","The Journal of organic chemistry","2019","84","18","12157","12164","10.1021/acs.joc.9b01430","","","0.71073","MoKα","","0.0587","0.0493","","","0.1327","0.1402","","","","","","1.045","","","","has coordinates","222988","2020-10-21","18:00:00",""
"4034471","30.2123","0.0009","6.9861","0.0002","16.6208","0.0004","90","","97.425","0.001","90","","3478.67","0.17","170","2","169.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F3 N2 O3 S -","- C18 H15 F3 N2 O3 S -","- C144 H120 F24 N16 O24 S8 -","8","1","","Chen, Changwei; Cui, Sunliang","Iterative Assembly of Nitrile Oxides and Ynamides: Synthesis of Isoxazoles and Pyrroles.","The Journal of organic chemistry","2019","84","18","12157","12164","10.1021/acs.joc.9b01430","","","0.71073","MoKα","","0.0683","0.0509","","","0.1375","0.1538","","","","","","1.03","","","","has coordinates","222989","2020-10-21","18:00:00",""
"4034472","9.1946","0.0002","13.3206","0.0004","15.4255","0.0004","85.066","0.001","83.434","0.001","76.486","0.001","1821.48","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin","Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.","The Journal of organic chemistry","2019","84","18","11945","11957","10.1021/acs.joc.9b01804","","","1.54178","CuKα","","0.039","0.0357","","","0.0923","0.0945","","","","","","1.034","","","","has coordinates","222990","2020-10-21","18:00:00",""
"4034473","8.7578","0.0009","9.4458","0.0014","10.0094","0.0013","86.145","0.016","86.215","0.01","68.042","0.009","765.47","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C36 H28 Cl2 N2 O4 -","2","1","","Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin","Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.","The Journal of organic chemistry","2019","84","18","11945","11957","10.1021/acs.joc.9b01804","","","1.54178","CuKα","","0.0367","0.0354","","","0.0966","0.098","","","","","","1.044","","","","has coordinates","222991","2020-10-21","18:00:00",""
"4034474","12.0497","0.0017","14.261","0.002","15.114","0.002","90","","100.99","0.003","90","","2549.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 O4 S -","- C30 H32 O4 S -","- C120 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0544","0.0388","","","0.09","0.0985","","","","","","1.03","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034475","14.241","0.002","11.0536","0.0015","15.619","0.002","90","","96.543","0.004","90","","2442.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 F O4 S -","- C30 H25 F O4 S -","- C120 H100 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.1087","0.0676","","","0.1558","0.1785","","","","","","1.048","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034476","11.8975","0.0005","14.838","0.0007","14.1035","0.0007","90","","94.87","0.001","90","","2480.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O4 S -","- C29 H30 O4 S -","- C116 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0525","0.0405","","","0.0982","0.106","","","","","","1.032","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034477","10.3709","0.0018","11.198","0.0017","12.307","0.002","112.885","0.006","92.332","0.007","106.31","0.006","1245.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 O5 S -","- C30 H32 O5 S -","- C60 H64 O10 S2 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0464","0.0366","","","0.0975","0.11","","","","","","1.123","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034478","14.6355","0.0018","8.323","0.001","17.421","0.002","90","","98.637","0.003","90","","2098","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0519","0.0426","","","0.1076","0.1143","","","","","","1.025","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034479","11.9401","0.0005","11.1292","0.0005","17.5921","0.0007","90","","102.577","0.002","90","","2281.61","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O5 S -","- C25 H26 O5 S -","- C100 H104 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0642","0.0513","","","0.1444","0.1558","","","","","","1.039","","","","has coordinates,has disorder","222992","2020-10-21","18:00:00",""
"4034480","7.1922","0.0006","8.1888","0.0007","17.2964","0.0015","82.23","0.004","87.95","0.005","87.46","0.004","1007.88","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C52 H44 O4 S2 -","2","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0896","0.0491","","","0.1279","0.1604","","","","","","1.002","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034481","10.4333","0.0007","8.3721","0.0005","20.905","0.0012","90","","96.602","0.003","90","","1813.91","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br O2 S -","- C22 H19 Br O2 S -","- C88 H76 Br4 O8 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0277","0.0249","","","0.0598","0.0609","","","","","","1.043","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034482","17.258","0.003","11.1864","0.0019","17.603","0.003","90","","96.353","0.004","90","","3377.5","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O2 S2 -","- C20 H18 O2 S2 -","- C160 H144 O16 S16 -","8","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0713","0.0614","","","0.1243","0.1309","","","","","","1.098","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034483","10.2968","0.0004","20.9708","0.001","14.9988","0.0007","90","","98.936","0.002","90","","3199.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 O5 S -","- C37 H42 O5 S -","- C148 H168 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0603","0.0433","","","0.1035","0.1142","","","","","","1.027","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034484","14.5709","0.0016","8.0748","0.0008","18.602","0.002","90","","91.042","0.005","90","","2188.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 S -","- C28 H22 O3 S -","- C112 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0575","0.0413","","","0.1173","0.1514","","","","","","1.168","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034485","10.8179","0.001","10.4282","0.001","16.7152","0.0016","90","","90.935","0.003","90","","1885.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0546","0.0382","","","0.0862","0.0943","","","","","","1.027","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034486","12.5407","0.0014","5.3966","0.0006","25.05","0.003","90","","93.281","0.003","90","","1692.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Chang, Meng-Yang; Wu, Yan-Shin; Tsai, Yu-Lin; Chen, Hsing-Yin","Synthesis of 2-Sulfonyl Indenes and Indanes.","The Journal of organic chemistry","2019","84","18","11699","11723","10.1021/acs.joc.9b01606","","","0.71073","MoKα","","0.0542","0.0387","","","0.0895","0.097","","","","","","1.044","","","","has coordinates","222992","2020-10-21","18:00:00",""
"4034487","17.2366","0.0003","7.2333","0.0001","41.0092","0.0008","90","","95.052","0.002","90","","5093.06","0.15","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 S -","- C34 H32 S -","- C272 H256 S8 -","8","2","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0817","0.0736","","","0.193","0.1957","","","","","","1.007","","","","has coordinates","222993","2020-10-21","18:00:00",""
"4034488","14.4446","0.0002","16.2063","0.0002","21.8323","0.0003","90","","90","","90","","5110.8","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 O S -","- C34 H32 O S -","- C272 H256 O8 S8 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0688","0.0666","","","0.1624","0.1637","","","","","","1.058","","","","has coordinates,has disorder","222994","2020-10-21","18:00:00",""
"4034489","10.1994","0.0004","13.3386","0.0005","19.921","0.0007","90","","96.989","0.003","90","","2690.03","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 N -","- C36 H37 N -","- C144 H148 N4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0485","0.0446","","","0.1255","0.1299","","","","","","0.951","","","","has coordinates","222995","2020-10-21","18:00:00",""
"4034490","7.1863","0.0002","21.7963","0.0007","17.2689","0.0004","90","","101.827","0.002","90","","2647.49","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 S -","- C34 H32 O2 S -","- C136 H128 O8 S4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","0.71073","MoKα","","0.0645","0.0428","","","0.096","0.1044","","","","","","0.974","","","","has coordinates","222996","2020-10-21","18:00:00",""
"4034491","11.391","0.002","5.7875","0.0009","24.004","0.004","90","","93.919","0.014","90","","1578.8","0.5","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,3-triphenylpropan-1-one","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Alanthadka, Anitha; Bera, Sourajit; Banerjee, Debasis","Iron-Catalyzed Ligand Free α-Alkylation of Methylene Ketones and β-Alkylation of Secondary Alcohols Using Primary Alcohols.","The Journal of organic chemistry","2019","84","18","11676","11686","10.1021/acs.joc.9b01600","","","0.71073","MoKα","","0.1181","0.0544","","","0.1528","0.1873","","","","","","0.855","","","","has coordinates","222997","2020-10-21","18:00:00",""
"4034492","7.1925","0.0001","19.211","0.0005","20.7806","0.0005","90","","90","","90","","2871.36","0.11","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O5 S -","- C34 H30 N2 O5 S -","- C136 H120 N8 O20 S4 -","4","1","","He, Chonglong; Li, Zhanhuan; Xu, Jianfeng; Ren, Hongjun","Asymmetric Synthesis of Spirocyclic Oxindole δ-Lactams via NHC-Catalyzed Formal [2+4] Annulation of Aliphatic Aldehydes with Oxindole-Derived α,β-Unsaturated Ketimines.","The Journal of organic chemistry","2019","84","18","12177","12186","10.1021/acs.joc.9b01760","","","0.71073","MoKα","","0.0476","0.039","","","0.091","0.0979","","","","","","1.039","","","","has coordinates","222998","2020-10-21","18:00:00",""
"4034493","14.0384","0.00008","18.16861","0.00008","19.8336","0.00007","91.8589","0.0003","110.33","0.0004","98.7848","0.0004","4667.96","0.04","120.01","0.11","120.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C77 H82 Cl6 O6 S24 -","- C77 H82 Cl6 O6 S24 -","- C154 H164 Cl12 O12 S48 -","2","1","","Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping","Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations.","The Journal of organic chemistry","2019","84","18","11774","11782","10.1021/acs.joc.9b01675","","x-ray","1.54184","CuKα","","0.0474","0.0461","","","0.1176","0.1184","","","","","","1.036","","","","has coordinates","222999","2020-10-21","18:00:00",""
"4034494","11.186","0.0008","11.4071","0.0001","13.4875","0.0011","66.629","0.013","86.938","0.018","62.124","0.011","1377.9","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O2 S4 -","- C12 H14 O2 S4 -","- C48 H56 O8 S16 -","4","2","","Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping","Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations.","The Journal of organic chemistry","2019","84","18","11774","11782","10.1021/acs.joc.9b01675","","","0.71073","MoKα","","0.0214","0.0198","","","0.0553","0.056","","","","","","1.05","","","","has coordinates","223000","2020-10-21","18:00:00",""
"4034495","11.0192","0.0002","10.5869","0.0002","17.8709","0.0004","90","","100.006","0.0009","90","","2053.09","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C92 H88 Cl4 N4 O12 -","4","1","","Kadiyala, Veerabhushanam; Bharath Kumar, Perla; Balasubramanian, Sridhar; Karunakar, Galla V.","Gold-Catalyzed Synthesis of 6-Hydroxyindoles from Alkynylcyclohexadienones and Substituted Amines.","The Journal of organic chemistry","2019","84","18","12228","12236","10.1021/acs.joc.9b02023","","","0.71073","MoKα","","0.0857","0.056","","","0.1317","0.1491","","","","","","1.032","","","","has coordinates,has disorder","223001","2020-10-21","18:00:00",""
"4034496","9.888","0.0018","11.0785","0.0016","11.369","0.002","62.976","0.016","83.635","0.015","76.644","0.014","1079.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C54 H58 N6 -","2","1","","An, Xiao-De; Duan, Kang; Li, Xian-Jiang; Yang, Jian-Ming; Lu, Yong-Na; Liu, Qing; Xiao, Jian","Synthesis of Tetrahydro[1,3,4]triazepines via Redox-Neutral α-C(sp<sup>3</sup>)-H Amination of Cyclic Amines.","The Journal of organic chemistry","2019","84","18","11839","11847","10.1021/acs.joc.9b01703","","","1.54184","CuKα","","0.0697","0.0501","","","0.1275","0.145","","","","","","1.025","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034497","9.3516","0.0008","13.4322","0.0012","16.9369","0.0013","90","","92.215","0.008","90","","2125.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N3 -","- C23 H23 N3 -","- C92 H92 N12 -","4","1","","An, Xiao-De; Duan, Kang; Li, Xian-Jiang; Yang, Jian-Ming; Lu, Yong-Na; Liu, Qing; Xiao, Jian","Synthesis of Tetrahydro[1,3,4]triazepines via Redox-Neutral α-C(sp<sup>3</sup>)-H Amination of Cyclic Amines.","The Journal of organic chemistry","2019","84","18","11839","11847","10.1021/acs.joc.9b01703","","","1.54184","CuKα","","0.097","0.0537","","","0.166","0.2399","","","","","","0.716","","","","has coordinates","223003","2020-10-21","18:00:00",""
"4034498","10.434","0.0006","14.33","0.0008","13.3476","0.0007","90","","102.277","0.002","90","","1950.08","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N O P -","- C24 H22 N O P -","- C96 H88 N4 O4 P4 -","4","2","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0567","0.0367","","","0.0686","0.0748","","","","","","1.005","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034499","11.4607","0.0002","11.4607","0.0002","12.8304","0.0003","90","","90","","90","","1685.24","0.06","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H18 N O P S -","- C18 H18 N O P S -","- C72 H72 N4 O4 P4 S4 -","4","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","1.54178","CuKα","","0.0284","0.0263","","","0.0661","0.0676","","","","","","1.044","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034500","8.0431","0.0005","10.1175","0.0006","8.8692","0.0006","90","","105.061","0.002","90","","696.95","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","","Seo, Chris S. G.; Tannoux, Thibault; Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H.","Enantioselective Hydrogenation of Activated Aryl Imines Catalyzed by an Iron(II) P-NH-P' Complex.","The Journal of organic chemistry","2019","84","18","12040","12049","10.1021/acs.joc.9b01964","","","0.71073","MoKα","","0.0359","0.0303","","","0.0656","0.0683","","","","","","1.056","","","","has coordinates","223005","2020-10-21","18:00:00",""
"4034501","7.362","0.002","8.473","0.003","18.02","0.007","101.258","0.012","98.436","0.01","91.151","0.011","1089.1","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C48 H50 N2 O14 -","2","1","","Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez","A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.","The Journal of organic chemistry","2019","84","18","11581","11595","10.1021/acs.joc.9b01520","","","0.71073","MoKα","","0.2543","0.0745","","","0.1491","0.2246","","","","","","0.98","","","","has coordinates","223006","2020-10-21","18:00:00",""
"4034502","9.736","0.004","11.089","0.004","15.026","0.006","85.979","0.018","88.879","0.019","88.814","0.017","1617.6","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","2","","Kumar, Virendra; Awasthi, Annapurna; Metya, Abhisek; Khan, Tabrez","A Metal-Free Domino Process for Regioselective Synthesis of 1,2,4-Trisubstituted Pyrroles: Application toward the Formal Synthesis of Ningalin B.","The Journal of organic chemistry","2019","84","18","11581","11595","10.1021/acs.joc.9b01520","","","0.71073","MoKα","","0.108","0.0657","","","0.1631","0.1932","","","","","","1.026","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034503","27.438","0.005","8.466","0.0016","9.7512","0.0019","90","","90","","90","","2265.1","0.7","296.15","0.1","296.15","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Liu, Xing; Dong, Zhi-Bing","Chemoselective Chan-Lam Coupling Reactions between Benzimidazoline-2-thiones and Arylboronic Acids.","The Journal of organic chemistry","2019","84","18","11524","11532","10.1021/acs.joc.9b01370","","","0.71073","MoKα","","0.0637","0.0483","","","0.1004","0.1117","","","","","","1.141","","","","has coordinates","223008","2020-10-21","18:00:00",""
"4034504","51.068","0.002","10.701","0.0004","20.7984","0.0009","90","","109.478","0.0016","90","","10715.4","0.8","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C432 H608 O32 S16 -","8","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0617","","0.1813","0.1711","0.1813","","","","","","0.9313","","","","has coordinates,has disorder","223009","2020-10-21","18:00:00",""
"4034505","9.3862","0.0003","14.2171","0.0005","19.5174","0.0007","100.48","0.001","99.0902","0.001","93.0281","0.001","2519.94","0.15","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C108 H152 O8 S4 -","2","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0387","0.0383","","0.0976","0.0975","0.0976","","","","","","0.9497","","","","has coordinates","223010","2020-10-21","18:00:00",""
"4034506","13.0211","0.0004","13.0211","0.0004","25.5008","0.0007","90","","90","","120","","3744.38","0.19","180","","180","","","","101","","","","","4","P 32 2 1","P 32 2""","154","","","","- C54 H76 O4 S2 -","- C54 H76 O4 S2 -","- C162 H228 O12 S6 -","3","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0457","0.0456","","0.1085","0.1084","0.1085","","","","","","0.8768","","","","has coordinates,has disorder","223011","2020-10-21","18:00:00",""
"4034507","13.8672","0.0004","13.8672","0.0004","24.9165","0.0007","90","","90","","120","","4149.5","0.2","180","","180","","","","","","","","","4","P 32","P 32","145","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C174 H252 O12 S6 -","3","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0808","0.074","","0.211","0.2005","0.211","","","","","","1.0303","","","","has coordinates,has disorder","223012","2020-10-21","18:00:00",""
"4034508","10.0198","0.0003","40.3929","0.0011","13.8991","0.0004","90","","100.855","0.001","90","","5524.7","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H84 O4 S2 -","- C58 H84 O4 S2 -","- C232 H336 O16 S8 -","4","2","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0734","0.0707","","0.196","0.1941","0.196","","","","","","0.9405","","","","has coordinates,has disorder","223013","2020-10-21","18:00:00",""
"4034509","10.4974","0.0004","13.0623","0.0005","19.5386","0.0007","108.273","0.0012","93.3489","0.0012","96.5858","0.0013","2514.57","0.16","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C54 H76 O4 S2 -","- C54.0032 H76.0094 O4 S2.0002 -","- C108.006 H152.019 O8 S4.0004 -","2","1","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0462","0.045","","0.1156","0.1151","0.1156","","","","","","0.9554","","","","has coordinates,has disorder","223014","2020-10-21","18:00:00",""
"4034510","10.1236","0.0003","22.2391","0.0007","10.781","0.0003","90","","107.328","0.0009","90","","2317.07","0.12","180","","180","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 O4 S2 -","- C50 H68 O4 S2 -","- C100 H136 O8 S4 -","2","0.5","","Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.","The Journal of organic chemistry","2019","84","18","11572","11580","10.1021/acs.joc.9b01493","","","1.54178","CuKα","","0.0352","0.0348","","0.089","0.0889","0.089","","","","","","0.9291","","","","has coordinates,has disorder","223015","2020-10-21","18:00:00",""
"4034511","7.9383","0.0011","9.6261","0.0013","12.0805","0.0017","82.961","0.002","75.096","0.002","69.699","0.002","836.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C42 H30 Br2 O4 -","2","1","","He, Xinwei; Xie, Mengqing; Tang, Qiang; Zuo, Youpeng; Li, Ruxue; Shang, Yongjia","Catalyst-Free Synthesis of 2,3-Dihydrobenzofurans via a Formal [4+1] Annulation of Propargylamines with Sulfur Ylides.","The Journal of organic chemistry","2019","84","18","11623","11638","10.1021/acs.joc.9b01557","","","0.71073","MoKα","","0.0718","0.0534","","","0.1218","0.1309","","","","","","1.092","","","","has coordinates","223016","2020-10-21","18:00:00",""
"4034512","12.0583","0.0011","7.508","0.0007","20.4002","0.0017","90","","96.629","0.003","90","","1834.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","He, Xinwei; Xie, Mengqing; Tang, Qiang; Zuo, Youpeng; Li, Ruxue; Shang, Yongjia","Catalyst-Free Synthesis of 2,3-Dihydrobenzofurans via a Formal [4+1] Annulation of Propargylamines with Sulfur Ylides.","The Journal of organic chemistry","2019","84","18","11623","11638","10.1021/acs.joc.9b01557","","","0.71073","MoKα","","0.0693","0.0626","","","0.1823","0.1894","","","","","","1.026","","","","has coordinates","223017","2020-10-21","18:00:00",""
"4034513","7.9839","0.0004","9.8531","0.0004","15.2245","0.0007","72.988","0.004","89.602","0.004","80.801","0.004","1129.51","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","1","0.5","","Kazim, Muhammad; Foy, Hayden; Siegler, Maxime A.; Dudding, Travis; Lectka, Thomas","Discovery and Mechanistic Study of a Totally Organic C<sub>(aryl)</sub>-C<sub>(alkyl)</sub>Oxygen Insertion Reaction.","The Journal of organic chemistry","2019","84","21","14349","14353","10.1021/acs.joc.9b02238","","","0.71073","MoKα","","0.0636","0.0479","","","0.1066","0.1158","","","","","","1.039","","","","has coordinates,has disorder","223018","2020-10-21","18:00:00",""
"4034514","8.0663","0.0005","12.7882","0.0006","13.3392","0.0011","102.324","0.005","103.153","0.006","102.371","0.004","1258.07","0.15","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O5 -","- C29 H20 O5 -","- C58 H40 O10 -","2","1","","Kazim, Muhammad; Foy, Hayden; Siegler, Maxime A.; Dudding, Travis; Lectka, Thomas","Discovery and Mechanistic Study of a Totally Organic C<sub>(aryl)</sub>-C<sub>(alkyl)</sub>Oxygen Insertion Reaction.","The Journal of organic chemistry","2019","84","21","14349","14353","10.1021/acs.joc.9b02238","","","1.54178","CuKα","","0.0783","0.0658","","","0.175","0.1833","","","","","","1.059","","","","has coordinates","223019","2020-10-21","18:00:00",""
"4034515","13.0658","0.0008","12.6324","0.0007","18.3843","0.0011","90","","107.83","0.007","90","","2888.6","0.3","295.1","0.18","295.1","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 F3 N2 O8 -","- C29 H31 F3 N2 O8 -","- C116 H124 F12 N8 O32 -","4","1","","Yang, Xie-Chao; Liu, Jin-Yu; Liu, Zhen; Hu, Xiu-Qin; Xu, Peng-Fei","Quaternary Carbon Center Forming [3 + 2] Cyclization Reaction by Adjusting the Substituents of Substrates.","The Journal of organic chemistry","2019","84","21","13871","13880","10.1021/acs.joc.9b02041","","","0.71073","MoKα","","0.1029","0.0623","","","0.1468","0.1807","","","","","","1.01","","","","has coordinates","223020","2020-10-21","18:00:00",""
"4034516","13.4214","0.0012","11.7864","0.0011","17.4141","0.0015","90","","92.874","0.002","90","","2751.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br F O3 S -","- C29 H28 Br F O3 S -","- C116 H112 Br4 F4 O12 S4 -","4","1","","Shi, Hao-Nan; Huang, Min-Hua; He, Chun-Lan; Lu, Hai-Ping; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Completely Stereoselective Synthesis of Sulfonated 1,3-Dihydroisobenzofurans via Radical Multicomponent Reactions.","The Journal of organic chemistry","2019","84","21","13686","13695","10.1021/acs.joc.9b01918","","","0.71073","MoKα","","0.1534","0.0618","","","0.1406","0.159","","","","","","1.065","","","","has coordinates,has disorder","223021","2020-10-21","18:00:00",""
"4034517","8.923","0.0007","10.5859","0.0009","14.8151","0.0012","75.045","0.001","78.478","0.001","89.563","0.002","1323.33","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 F2 N2 O3 S -","- C30 H22 F2 N2 O3 S -","- C60 H44 F4 N4 O6 S2 -","2","1","","Shi, Hao-Nan; Huang, Min-Hua; He, Chun-Lan; Lu, Hai-Ping; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Completely Stereoselective Synthesis of Sulfonated 1,3-Dihydroisobenzofurans via Radical Multicomponent Reactions.","The Journal of organic chemistry","2019","84","21","13686","13695","10.1021/acs.joc.9b01918","","","0.71073","MoKα","","0.1719","0.0708","","","0.0766","0.091","","","","","","0.963","","","","has coordinates","223022","2020-10-21","18:00:00",""
"4034518","7.468","0.003","10.606","0.006","12.627","0.004","90","","90","","90","","1000.1","0.8","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0838","0.0405","","","0.0841","0.1005","","","","","","1.061","","","","has coordinates","223023","2020-10-21","18:00:00",""
"4034519","7.1176","0.001","15.208","0.002","10.1283","0.0014","90","","91.197","0.004","90","","1096.1","0.3","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O2 -","- C8 H18 Cl2 N2 O2 -","- C32 H72 Cl8 N8 O8 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0383","0.0304","","","0.0752","0.0782","","","","","","1.063","","","","has coordinates","223024","2020-10-21","18:00:00",""
"4034520","6.9635","0.0002","6.8977","0.0002","14.8768","0.0004","90","","95.7031","0.0018","90","","711.03","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl N O -","- C6 H12 Cl N O -","- C24 H48 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0515","0.0392","","","0.0889","0.0932","","","","","","1.087","","","","has coordinates","223025","2020-10-21","18:00:00",""
"4034521","13.372","0.003","5.9409","0.0015","12.492","0.003","90","","116.478","0.005","90","","888.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C32 H56 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0467","0.0359","","","0.0877","0.0936","","","","","","1.036","","","","has coordinates","223026","2020-10-21","18:00:00",""
"4034522","24.981","0.005","7.1333","0.0013","12.15","0.002","90","","90","","90","","2165.1","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 Cl N O -","- C10 H18 Cl N O -","- C80 H144 Cl8 N8 O8 -","8","2","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.1006","0.0677","","","0.1717","0.1958","","","","","","1.051","","","","has coordinates","223027","2020-10-21","18:00:00",""
"4034523","8.521","0.002","5.6665","0.0013","32.043","0.009","90","","90","","90","","1547.2","0.7","220","","220","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 F O2 S -","- C19 H15 F O2 S -","- C76 H60 F4 O8 S4 -","4","1","","Ni, Jiabin; Nishonov, Bekzod; Pardaev, Azizbek; Zhang, Ao","Palladium-Catalyzed Ring-Opening Coupling of <i>gem</i>-Difluorocyclopropanes for the Construction of 2-Fluoroallylic Sulfones.","The Journal of organic chemistry","2019","84","21","13646","13654","10.1021/acs.joc.9b01897","","","0.71073","MoKα","","0.0864","0.0538","","","0.0965","0.114","","","","","","0.993","","","","has coordinates","223028","2020-10-21","18:00:00",""
"4034524","19.2816","0.0006","14.7591","0.0004","20.9864","0.0007","90","","90","","90","","5972.3","0.3","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Br4 I2 In N2 O3 -","- C23 H21 Br4 I2 In N2 O3 -","- C184 H168 Br32 I16 In8 N16 O24 -","8","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0456","","","","0.0332","","","","","","1.663","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034525","8.4308","0.0009","8.9813","0.0007","10.4867","0.0011","77.69","0.008","66.808","0.01","83.175","0.008","712.56","0.13","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 I O3 -","- C14 H17 I O3 -","- C28 H34 I2 O6 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0372","","","","0.0436","","","","","","0.99","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034526","7.53781","0.00014","10.20563","0.00017","11.60365","0.00018","73.547","0.0014","78.527","0.0014","86.886","0.0014","838.99","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C38 H36 I2 N2 O2 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0278","","","","0.0264","","","","","","2.037","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034527","10.0928","0.0003","11.2539","0.0003","15.7207","0.0005","110.444","0.003","93.094","0.003","104.384","0.002","1601.09","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 Br4 I2 In N2 O -","- C27 H19 Br4 I2 In N2 O -","- C54 H38 Br8 I4 In2 N4 O2 -","2","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0388","","","","0.0406","","","","","","1.364","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034528","15.7256","0.0011","7.8647","0.0005","12.5283","0.0008","90","","107.452","0.007","90","","1478.14","0.18","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 I O -","- C17 H13 I O -","- C68 H52 I4 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0339","","","","0.0769","","","","","","0.951","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034529","10.7276","0.0003","6.04195","0.00012","21.376","0.0005","90","","92.5","0.002","90","","1384.18","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","1.54184","CuKα","","","0.057","","","","0.0701","","","","","","3.418","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034530","7.51047","0.00005","20.79595","0.00011","11.09437","0.00006","90","","90.0347","0.0006","90","","1732.8","0.017","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O -","- C24 H20 O -","- C96 H80 O4 -","4","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","1.54184","CuKα","","","0.0635","","","","0.1574","","","","","","0.802","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034531","10.9644","0.0002","30.3343","0.0005","11.0367","0.0002","90","","98.842","0.0008","90","","3627.15","0.11","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 Br N2 O9 -","- C35 H41 Br N2 O9 -","- C140 H164 Br4 N8 O36 -","4","2","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","1.54178","CuKα","","0.0385","0.0379","","","0.0982","0.0989","","","","","","1.021","","","","has coordinates","223030","2020-10-21","18:00:00",""
"4034532","9.413","0.003","10.263","0.003","11.789","0.003","82.581","0.004","78.044","0.004","79.541","0.003","1090.7","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","tosaka20161121","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Sato, Ryo; Tosaka, Takuya; Masu, Hyuma; Arai, Takayoshi","Catalytic Asymmetric Synthesis of Chiral Bis(indolyl)methanes Using a Ts-PyBidine-Nickel Complex.","The Journal of organic chemistry","2019","84","21","14248","14257","10.1021/acs.joc.9b02006","","","0.71073","MoKα","","0.1304","0.0931","","","0.176","0.1914","","","","","","1.157","","","","has coordinates,has disorder","223031","2020-10-21","18:00:00",""
"4034533","7.0678","0.0007","24.954","0.002","11.6047","0.001","90","","91.286","0.006","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O4 -","- C23 H25 N3 O4 -","- C92 H100 N12 O16 -","4","1","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","","1.54187","CuKα","","0.1603","0.0657","","","0.1595","0.2241","","","","","","0.995","","","","has coordinates","223032","2020-10-21","18:00:00",""
"4034534","14.9275","0.0004","13.8231","0.0003","23.3215","0.0006","90","","107.109","0.003","90","","4599.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N3 O5.5 -","- C24 H28 N3 O5.5 -","- C192 H224 N24 O44 -","8","2","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","x-ray","0.71073","MoKα","","0.0695","0.0513","","","0.1363","0.1469","","","","","","1.048","","","","has coordinates","223033","2020-10-21","18:00:00",""
"4034535","15.119","0.015","6.98","0.005","23.971","0.015","90","","98.71","0.03","90","","2501","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F3 N3 O3 -","- C28 H24 F3 N3 O3 -","- C112 H96 F12 N12 O12 -","4","1","","Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah","Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.","The Journal of organic chemistry","2019","84","21","13807","13823","10.1021/acs.joc.9b02018","","","1.54187","CuKα","","0.1456","0.0792","","","0.2168","0.2618","","","","","","0.924","","","","has coordinates,has disorder","223034","2020-10-21","18:00:00",""
"4034536","45.984","0.003","14.1262","0.0009","15.9483","0.001","90","","92.21","0.003","90","","10352","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C480 H480 N96 O48 -","48","12","","Bisht, Girish Singh; Gnanaprakasam, Boopathy","Transition-Metal-Free Addition Reaction for the Synthesis of 3-(Aminobenzylidene/aminoalkylidene)indolin-2-ones and Its Synthetic Applications.","The Journal of organic chemistry","2019","84","21","13516","13527","10.1021/acs.joc.9b01771","","","1.54178","CuKα","","0.0561","0.0465","","","0.1424","0.1495","","","","","","1.13","","","","has coordinates","223035","2020-10-21","18:00:00",""
"4034537","32.615","0.003","7.5572","0.0008","23.266","0.002","90","","129.639","0.003","90","","4416.1","0.8","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C224 H192 N16 O8 -","8","1","","Cardoza, Savio; Das, Parthasarathi; Tandon, Vibha","Pd-Catalyzed Sequential Arylation of 7-Azaindoles: Aggregate-Induced Emission of Tetra-Aryl 7-Azaindoles.","The Journal of organic chemistry","2019","84","21","14015","14029","10.1021/acs.joc.9b02187","","","0.71073","MoKα","","0.0548","0.0479","","","0.203","0.2241","","","","","","1.04","","","","has coordinates","223036","2020-10-21","18:00:00",""
"4034538","9.286","0.0014","32.685","0.004","10.0857","0.0012","90","","113.399","0.004","90","","2809.4","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 N2 O2 -","- C35 H30 N2 O2 -","- C140 H120 N8 O8 -","4","1","","Cardoza, Savio; Das, Parthasarathi; Tandon, Vibha","Pd-Catalyzed Sequential Arylation of 7-Azaindoles: Aggregate-Induced Emission of Tetra-Aryl 7-Azaindoles.","The Journal of organic chemistry","2019","84","21","14015","14029","10.1021/acs.joc.9b02187","","","0.71073","MoKα","","0.077","0.0533","","","0.1576","0.1814","","","","","","1.067","","","","has coordinates","223037","2020-10-21","18:00:00",""
"4034539","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223038","2020-10-21","18:00:00",""
"4034540","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","223039","2020-10-21","18:00:00",""
"4034541","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","223040","2020-10-21","18:00:00",""
"4034542","10.4256","0.0014","12.6372","0.0014","16.616","0.002","90","","96.095","0.012","90","","2176.8","0.5","293","2","293","2","","","","","","","oganic synthesis","4","P 1 21/n 1","-P 2yn","14","","(10-ethyl-7-phenyl-6,7-dihydro-5H-benzo[b]pyrrolo[1,2-d][1,4]diazepin-5-yl)(phenyl)methanone","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zelina, Elena Y.; Nevolina, Tatyana A.; Skvortsov, Dmitry A.; Trushkov, Igor V.; Uchuskin, Maxim G.","A Route to (Het)arene-Annulated Pyrrolo[1,2-<i>d</i>][1,4]diazepines via the Expanded Intramolecular Paal-Knorr Reaction: Nitro Group and Furan Ring as Equivalents of Amino Group and 1,4-Diketone.","The Journal of organic chemistry","2019","84","21","13707","13720","10.1021/acs.joc.9b01925","","x-ray","0.71073","MoKα","","0.0822","0.0649","","","0.1833","0.197","","","","","","1.034","","","","has coordinates","223041","2020-10-21","18:00:00",""
"4034543","17.08","0.03","14.32","0.02","7.997","0.012","90","","80.212","0.018","90","","1927","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.1209","0.0781","","","0.1993","0.2334","","","","","","1.008","","","","has coordinates","223042","2020-10-21","18:00:00",""
"4034544","7.564","0.003","10.325","0.004","11.849","0.004","80.459","0.009","89.468","0.009","88.028","0.009","912","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C40 H40 N4 O8 S2 -","2","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.0343","0.0324","","","0.091","0.0927","","","","","","0.998","","","","has coordinates","223043","2020-10-21","18:00:00",""
"4034545","25.468","0.005","4.6287","0.0008","23.093","0.004","90","","113.58","0.005","90","","2495","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 Br N2 O -","- C16 H9 Br N2 O -","- C128 H72 Br8 N16 O8 -","8","1","","Massaro, Nicholas P.; Chatterji, Aayushi; Sharma, Indrajeet","Three-Component Approach to Pyridine-Stabilized Ketenimines for the Synthesis of Diverse Heterocycles.","The Journal of organic chemistry","2019","84","21","13676","13685","10.1021/acs.joc.9b01906","","","0.71073","MoKα","","0.0797","0.0592","","","0.1713","0.1984","","","","","","1.005","","","","has coordinates","223044","2020-10-21","18:00:00",""
"4034546","9.3851","0.0019","10.325","0.002","13.344","0.003","89.257","0.002","74.918","0.002","67.207","0.002","1145.4","0.4","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 N6 -","- C24 H36 N6 -","- C48 H72 N12 -","2","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","0.71073","MoKα","","0.0473","0.0412","","","0.1053","0.11","","","","","","0.967","","","","has coordinates","223045","2020-10-21","18:00:00",""
"4034547","25.9278","0.0011","10.4781","0.0004","23.3336","0.001","90","","123.115","0.004","90","","5309.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N6 -","- C30 H36 N6 -","- C240 H288 N48 -","8","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","1.54178","CuKα","","0.0883","0.0544","","","0.1193","0.131","","","","","","1.053","","","","has coordinates,has disorder","223046","2020-10-21","18:00:00",""
"4034548","11.0095","0.0006","23.1808","0.0013","13.2505","0.0007","90","","114.06","0.003","90","","3087.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 N6 -","- C32 H46 N6 -","- C128 H184 N24 -","4","1","","O'Dea, Connor; Ugarte Trejo, Omar; Arras, Janet; Ehnbom, Andreas; Bhuvanesh, Nattamai; Stollenz, Michael","Ethylene-Bridged Hexadentate Bis(amidines) and Bis(amidinates) with Variable Binding Sites.","The Journal of organic chemistry","2019","84","21","14217","14226","10.1021/acs.joc.9b01908","","","1.54178","CuKα","","0.0887","0.069","","","0.1814","0.2012","","","","","","1.053","","","","has coordinates,has disorder","223047","2020-10-21","18:00:00",""
"4034549","33.097","0.003","12.1277","0.0012","7.263","0.0007","90","","101.451","0.006","90","","2857.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C136 H96 F8 N8 O24 -","8","1","","Vadivelu, Murugan; Sampath, Sugirdha; Muthu, Kesavan; Karthikeyan, Kesavan; Praveen, Chandrasekar","Harnessing the TEMPO-Catalyzed Aerobic Oxidation for Machetti-De Sarlo Reaction toward Sustainable Synthesis of Isoxazole Libraries.","The Journal of organic chemistry","2019","84","21","13636","13645","10.1021/acs.joc.9b01896","","","0.71073","MoKα","","0.0837","0.0515","","","0.1042","0.1223","","","","","","1.07","","","","has coordinates","223048","2020-10-21","18:00:00",""
"4034550","13.752","0.002","10.6347","0.001","12.4145","0.0018","90","","114.16","0.018","90","","1656.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N7 O3 S -","- C13 H17 N7 O3 S -","- C52 H68 N28 O12 S4 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","0.71073","MoKα","","0.1289","0.0626","","","0.1488","0.2048","","","","","","1.002","","","","has coordinates","223049","2020-10-21","18:00:00",""
"4034551","8.9035","0.0005","10.0161","0.0007","10.3084","0.0007","90.185","0.006","108.341","0.005","112.269","0.006","799.62","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 F N5 O2 S2 -","- C13 H16 F N5 O2 S2 -","- C26 H32 F2 N10 O4 S4 -","2","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","0.7107","MoKα","","0.056","0.0431","","","0.1351","0.1525","","","","","","1.009","","","","has coordinates","223050","2020-10-21","18:00:00",""
"4034552","8.53","0.006","9.037","0.004","23.329","0.016","90","","90","","90","","1798.3","1.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N6 O2 S2 -","- C13 H24 N6 O2 S2 -","- C52 H96 N24 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","1.54184","CuKα","","0.0507","0.045","","","0.1028","0.1042","","","","","","1.038","","","","has coordinates","223051","2020-10-21","18:00:00",""
"4034553","11.6527","0.0019","16.548","0.0019","12.5581","0.0019","90","","109.183","0.017","90","","2287.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Tong, Pei; Sun, Zhou; Wang, Shutao; Zhang, Yuan; Li, Ying","Zn(OTf)<sub>2</sub>-Catalyzed Formal [3 + 3] Cascade Annulation of Propargylic Alcohols with 2-Aminochromones: Accessing the Chromeno[2,3-<i>b</i>]pyridines.","The Journal of organic chemistry","2019","84","21","13967","13974","10.1021/acs.joc.9b02120","","","0.71073","MoKα","","0.1387","0.0637","","","0.1198","0.1576","","","","","","1.026","","","","has coordinates","223052","2020-10-21","18:00:00",""
"4034554","8.153","0.0006","10.6538","0.0008","18.3193","0.0014","90","","90","","90","","1591.2","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.1082","0.1045","","","0.2425","0.2494","","","","","","1.144","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034555","7.4919","0.0005","13.2055","0.0009","15.9971","0.0011","90","","90","","90","","1582.66","0.19","120","","120","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C19 H19 N2 O3 -","- C19 H19 N2 O3 -","- C76 H76 N8 O12 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.0465","0.0399","","","0.1013","0.1084","","","","","","1.046","","","","has coordinates","223054","2020-10-21","18:00:00",""
"4034556","9.2943","0.0004","10.1497","0.0004","19.3054","0.0007","90","","90","","90","","1821.16","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","1.54178","CuKα","","0.0274","0.0267","","","0.07","0.0708","","","","","","1.048","","","","has coordinates","223055","2020-10-21","18:00:00",""
"4034557","6.9459","0.0013","19.489","0.004","15.671","0.003","90","","90.077","0.004","90","","2121.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","2","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","0.71073","MoKα","","0.1686","0.0877","","","0.1834","0.2342","","","","","","0.976","","","","has coordinates","223056","2020-10-21","18:00:00",""
"4034558","11.04919","0.00018","12.5553","0.0003","13.5552","0.0003","73.9262","0.0019","79.3366","0.0016","79.3046","0.0016","1757.67","0.07","294.1","0.2","294.1","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N S -","- C24 H17 N S -","- C96 H68 N4 S4 -","4","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0626","0.0501","","","0.1324","0.1421","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034559","18.3659","0.0012","11.7207","0.0009","8.8736","0.0007","90","","102.469","0.007","90","","1865.1","0.2","294.13","0.16","294.13","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 S -","- C24 H16 N2 O2 S -","- C96 H64 N8 O8 S4 -","4","1","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.1505","0.065","","","0.1187","0.1589","","","","","","1.037","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034560","12.1121","0.0003","14.1893","0.0003","21.9733","0.0006","90","","104.932","0.003","90","","3648.86","0.16","293.9","0.3","293.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 S -","- C25 H16 N2 S -","- C200 H128 N16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0564","0.0417","","","0.1004","0.1106","","","","","","1.029","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034561","15.0652","0.0003","12.5113","0.0003","19.6794","0.0005","90","","90","","90","","3709.28","0.15","293.6","0.19","293.6","0.19","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H17 N O2 S -","- C25 H17 N O2 S -","- C200 H136 N8 O16 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0646","0.0521","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034562","22.6911","0.0013","20.5795","0.0009","8.1911","0.0004","90","","90","","90","","3825","0.3","293.9","0.4","293.9","0.4","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C200 H144 N16 O8 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0981","0.0603","","","0.1343","0.1553","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034563","4.3237","0.0002","19.2147","0.0006","21.1017","0.0008","90","","94.738","0.004","90","","1747.11","0.12","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 S -","- C24 H18 N2 S -","- C96 H72 N8 S4 -","4","1","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0973","0.0602","","","0.133","0.1553","","","","","","1.059","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034565","21.15","0.003","9.7675","0.0013","16.065","0.002","90","","104.705","0.002","90","","3210","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O6 S -","- C16 H16 O6 S -","- C128 H128 O48 S8 -","8","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","","0.71073","MoKα","","0.0473","0.0387","","","0.1074","0.1117","","","","","","1.008","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034566","15.573","0.0011","15.4582","0.0011","11.9655","0.0009","90","","106.128","0.002","90","","2767.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 Ru S -","- C30 H32 O4 Ru S -","- C120 H128 O16 Ru4 S4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0383","0.03","","","0.0743","0.0814","","","","","","1.043","","","","has coordinates,has disorder","223058","2020-10-21","18:00:00",""
"4034567","11.0617","0.0008","10.3249","0.0008","15.3097","0.0011","90","","104.003","0.003","90","","1696.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 S -","- C20 H18 O4 S -","- C80 H72 O16 S4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0541","0.0406","","","0.0894","0.0952","","","","","","1.059","","","","has coordinates,has disorder","223058","2020-10-21","18:00:00",""
"4034568","15.5019","0.0008","8.5732","0.0005","14.4028","0.0008","90","","107.173","0.002","90","","1828.81","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O5 S Si -","- C17 H22 O5 S Si -","- C68 H88 O20 S4 Si4 -","4","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0456","0.0349","","","0.0845","0.0905","","","","","","1.051","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034569","8.1249","0.0014","9.0422","0.0014","9.265","0.0015","75.059","0.012","64.69","0.011","71.468","0.011","577.49","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Co F6 O8 -","- C4 H8 Co F6 O8 -","- C8 H16 Co2 F12 O16 -","2","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0784","0.0551","","","0.1087","0.1202","","","","","","1.057","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034570","7.5692","0.0002","11.1619","0.0003","13.8735","0.0004","69.526","0.001","76.891","0.001","78.419","0.001","1059.96","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C48 H42 N2 O12 S2 -","2","1","","Qin, Pengjin; Holland, Ryan L.; Bunker, Kevin D.; O'Connor, Joseph M; Baldridge, Kim K.; Rheingold, Arnold L.","Acid-Induced Liberation of Polysubstituted Cyclopentadiene Ligands from Cyclopentadienyl Cobalt: A [2 + 2 + 1] Cycloaddition Route toward 1,2,4-Trisubstituted Cyclopentadienes.","The Journal of organic chemistry","2019","84","21","13992","14004","10.1021/acs.joc.9b02182","","x-ray","0.71073","MoKα","K-L~3~","0.0488","0.0406","","","0.0966","0.1029","","","","","","1.027","","","","has coordinates","223058","2020-10-21","18:00:00",""
"4034571","13.4894","0.0001","13.8665","0.0001","22.2258","0.0002","90","","90","","90","","4157.35","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","1","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0301","0.0294","","","0.0781","0.0788","","","","","","1.023","","","","has coordinates","223059","2020-10-21","18:00:00",""
"4034572","28.4549","0.0014","6.8073","0.0003","70.292","0.003","90","","96.374","0.004","90","","13531.5","1.1","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C46 H63 O8 -","- C46 H63 O8 -","- C552 H756 O96 -","12","3","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0939","0.0786","","","0.2114","0.2289","","","","","","1.066","","","","has coordinates","223060","2020-10-21","18:00:00",""
"4034573","7.14826","0.00009","21.3979","0.0003","26.9591","0.0004","90","","91.3181","0.0012","90","","4122.51","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","2","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.046","0.0441","","","0.1186","0.1201","","","","","","1.044","","","","has coordinates","223061","2020-10-21","18:00:00",""
"4034574","16.2705","0.0002","23.0829","0.0003","16.4391","0.0002","90","","90","","90","","6174.04","0.13","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O4 -","- C16 H13 Cl N2 O4 -","- C256 H208 Cl16 N32 O64 -","16","2","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0698","0.0557","","","0.1443","0.1564","","","","","","1.023","","","","has coordinates,has disorder","223062","2020-10-21","18:00:00",""
"4034575","8.30352","0.00008","8.62547","0.00011","10.50067","0.00011","106.302","0.001","101.893","0.0009","103.836","0.001","670.1","0.015","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl F3 O2 -","- C16 H10 Cl F3 O2 -","- C32 H20 Cl2 F6 O4 -","2","1","","Xing, Linlin; Zhang, Yong; Zhang, Yilin; Ai, Zhenkang; Li, Xuemin; Du, Yunfei; Deng, Jun; Zhao, Kang","Regioselective Chlorolactonization of Styrene-Type Carboxylic Esters and Amides via PhICl<sub>2</sub>-Mediated Oxidative C-O/C-Cl Bond Formations.","The Journal of organic chemistry","2019","84","21","13832","13840","10.1021/acs.joc.9b02022","","x-ray","1.54184","CuKα","","0.0298","0.0282","","","0.0752","0.0778","","","","","","1.08","","","","has coordinates","223063","2020-10-21","18:00:00",""
"4034576","8.345","0.003","11.25","0.003","30.833","0.009","90","","90","","90","","2894.6","1.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O3 -","- C16 H15 Cl O3 -","- C128 H120 Cl8 O24 -","8","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0482","0.0343","","","0.0878","0.0946","","","","","","0.901","","","","has coordinates","223064","2020-10-21","18:00:00",""
"4034577","14.851","0.015","4.703","0.005","16.195","0.016","90","","107.694","0.012","90","","1077.6","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl O3 -","- C11 H13 Cl O3 -","- C44 H52 Cl4 O12 -","4","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0705","0.0529","","","0.1263","0.1322","","","","","","1.178","","","","has coordinates","223065","2020-10-21","18:00:00",""
"4034578","5.6203","0.0003","8.9365","0.0005","14.7908","0.001","90","","92.213","0.003","90","","742.33","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhashal, Anil Ranu; Lynn Kamerlin, Shina Caroline; Kihlberg, Jan; Norberg, Thomas; Widersten, Mikael","Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di- and Tri-Hydroxypentanones.","The Journal of organic chemistry","2019","84","11","6982","6991","10.1021/acs.joc.9b00742","","","0.71073","MoKα","","0.0526","0.036","","","0.1049","0.1219","","","","","","0.933","","","","has coordinates","223066","2020-10-21","18:00:00",""
"4034579","11.9718","0.0007","10.0001","0.0005","13.155","0.0007","90","","94.144","0.005","90","","1570.79","0.15","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0363","0.0298","","","0.0806","0.083","","","","","","1.07","","","","has coordinates","223067","2020-10-21","18:00:00",""
"4034580","11.4273","0.0002","12.1982","0.0002","12.8395","0.0002","90","","90","","90","","1789.73","0.05","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0288","","","0.08","0.0806","","","","","","1.052","","","","has coordinates","223068","2020-10-21","18:00:00",""
"4034581","5.7829","0.0002","13.4141","0.0005","20.7255","0.0006","90","","90","","90","","1607.73","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0283","","","0.0784","0.0792","","","","","","1.081","","","","has coordinates","223069","2020-10-21","18:00:00",""
"4034582","12.9091","0.0009","18.649","0.0012","16.3846","0.0011","90","","106.745","0.003","90","","3777.2","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 O2 -","- C43 H60 O2 -","- C172 H240 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0658","0.0501","","","0.1321","0.1417","","","","","","1.041","","","","has coordinates","223070","2020-10-21","18:00:00",""
"4034583","14.5479","0.0012","13.8161","0.0012","19.0946","0.0016","90","","94.938","0.004","90","","3823.7","0.6","109","2","108.97","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 O2 -","- C47 H52 O2 -","- C188 H208 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.2031","0.1876","","","0.496","0.503","","","","","","1.102","","","","has coordinates","223070","2020-10-21","18:00:00",""
"4034584","10.1187","0.0002","21.3827","0.0005","23.195","0.0006","90","","90","","90","","5018.6","0.2","102","2","102.49","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 O2 -","- C59 H76 O2 -","- C236 H304 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0668","0.0466","","","0.1066","0.1165","","","","","","1.016","","","","has coordinates,has disorder","223070","2020-10-21","18:00:00",""
"4034585","9.834","0.003","23.521","0.006","10.229","0.003","90","","102.582","0.003","90","","2309.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N2 O S2 -","- C25 H21 Br N2 O S2 -","- C100 H84 Br4 N8 O4 S8 -","4","1","","Bodhak, Chandan; Pramanik, Animesh","One-Pot, Three-Component Synthesis of 5-Sulfenyl-2-iminothiazolines by Cross-Dehydrogenative C-S Coupling Using I<sub>2</sub>/DMSO in Open Air.","The Journal of organic chemistry","2019","84","11","7265","7278","10.1021/acs.joc.9b00785","","","0.71073","MoKα","","0.0469","0.0325","","","0.0783","0.0845","","","","","","1.028","","","","has coordinates","223071","2020-10-21","18:00:00",""
"4034586","4.7639","0.0003","10.5335","0.0006","23.7167","0.0013","90","","94.668","0.007","90","","1186.17","0.12","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C48 H28 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0597","","","","0.1286","","","","","","0.916","","","","has coordinates","223072","2020-10-21","18:00:00",""
"4034587","11.716","0.0004","5.04263","0.00015","21.6594","0.0007","90","","103.028","0.008","90","","1246.69","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F6 N3 -","- C13 H9 F6 N3 -","- C52 H36 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0399","","","","0.1113","","","","","","1.071","","","","has coordinates","223073","2020-10-21","18:00:00",""
"4034588","9.2235","0.0003","9.2912","0.0003","31.3829","0.001","90","","90","","90","","2689.43","0.15","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C112 H88 F48 N24 -","8","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0657","","","","0.1414","","","","","","1.048","","","","has coordinates","223074","2020-10-21","18:00:00",""
"4034589","5.05749","0.00017","29.7507","0.001","9.2553","0.0003","90","","104.672","0.008","90","","1347.18","0.09","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C56 H44 F24 N12 -","4","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0671","","","","0.1709","","","","","","0.959","","","","has coordinates","223075","2020-10-21","18:00:00",""
"4034590","4.5879","0.0003","10.6241","0.0005","11.9829","0.0006","90","","92.543","0.007","90","","583.5","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H7 F6 N3 -","- C12 H7 F6 N3 -","- C24 H14 F12 N6 -","2","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0441","","","","0.1066","","","","","","1.013","","","","has coordinates","223076","2020-10-21","18:00:00",""
"4034591","15.2452","0.0003","17.0853","0.0003","19.0868","0.0003","90","","90","","90","","4971.52","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C272 H216 N8 O16 -","8","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0392","0.037","","","0.0919","0.0935","","","","","","1.031","","","","has coordinates","223077","2020-10-21","18:00:00",""
"4034592","9.7016","0.0004","11.6604","0.0004","11.727","0.0005","88.483","0.003","86.881","0.003","89.643","0.003","1324.17","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","2","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","","0.71073","MoKα","","0.0791","0.0721","","","0.1929","0.1984","","","","","","1.101","","","","has coordinates","223078","2020-10-21","18:00:00",""
"4034593","16.4257","0.0002","18.3154","0.0001","16.5931","0.0002","90","","111.952","0.001","90","","4629.99","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C240 H216 N8 O24 -","8","2","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0441","0.0416","","","0.105","0.1071","","","","","","1.031","","","","has coordinates,has disorder","223079","2020-10-21","18:00:00",""
"4034594","12.92","0.0004","10.2331","0.0003","15.3199","0.0004","90","","99.36","0.003","90","","1998.5","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0464","0.0435","","","0.1081","0.1101","","","","","","1.053","","","","has coordinates","223080","2020-10-21","18:00:00",""
"4034595","16.7112","0.0006","18.8566","0.0007","15.79","0.0006","90","","110.115","0.004","90","","4672.2","0.3","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54184","CuKα","","0.0645","0.0563","","","0.1529","0.1655","","","","","","1.063","","","","has coordinates","223081","2020-10-21","18:00:00",""
"4034596","21.6654","0.0004","9.6032","0.0002","29.9888","0.0007","90","","90","","90","","6239.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C272 H272 Cl16 N32 O16 -","16","2","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54178","CuKα","","0.0851","0.0754","","","0.1657","0.1694","","","","","","1.239","","","","has coordinates,has disorder","223081","2020-10-21","18:00:00",""
"4034597","8.8011","0.0004","16.3251","0.0007","21.7086","0.001","104.967","0.002","99.429","0.002","98.308","0.002","2914.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Iron tricarbonyl triaminocyclopentadienyl tetrafuloroborate","Iron tricarbonyl triaminocyclopentadienyl tetrafuloroborate","","- C27 H27 B F4 Fe N3 O3 -","- C27 H27 B F4 Fe N3 O3 -","- C108 H108 B4 F16 Fe4 N12 O12 -","4","2","","Lator, Alexis; Gaillard, Quentin Gaignard; Mérel, Delphine S; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Room-Temperature Chemoselective Reductive Alkylation of Amines Catalyzed by a Well-Defined Iron(II) Complex Using Hydrogen.","The Journal of organic chemistry","2019","84","11","6813","6829","10.1021/acs.joc.9b00581","","","0.71073","MoKα","","0.0989","0.0831","","","0.1917","0.1989","","","","","","1.097","","","","has coordinates","223082","2020-10-21","18:00:00",""
"4034598","19.0715","0.0007","19.0715","0.0007","18.6402","0.0011","90","","90","","90","","6779.9","0.5","291.9","0.2","291.9","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C320 H240 Cl16 N32 O16 -","16","1","","Dagar, Anuradha; Bae, Gi Hun; Lee, Jeong Hwa; Kim, Ikyon","Tandem [4+1+1] Annulation Approach to 4-Acyl-3,4-dihydropyrrolo[1,2- a]pyrazines: Diastereoselective Construction of Dihydropyrazine Units from Pyrroles.","The Journal of organic chemistry","2019","84","11","6916","6927","10.1021/acs.joc.9b00724","","x-ray","0.71073","MoKα","","0.1342","0.0642","","","0.1104","0.1343","","","","","","1.044","","","","has coordinates","223083","2020-10-21","18:00:00",""
"4034599","10.1429","0.0005","11.3255","0.0006","28.5157","0.0015","101.224","0.002","94.472","0.002","94.362","0.002","3189.3","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C37.5 H29 Cl Fe N2 O2 S Se -","- C37.5 H28.5 Cl Fe N2 O2 S Se -","- C150 H114 Cl4 Fe4 N8 O8 S4 Se4 -","4","2","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.0988","0.0538","","","0.0893","0.1026","","","","","","1.031","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4034600","7.2892","0.0014","10.772","0.002","16.748","0.004","90.548","0.01","94.001","0.011","100.253","0.01","1290.6","0.5","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Br Cl3 Fe N2 O S -","- C27 H20 Br Cl3 Fe N2 O S -","- C54 H40 Br2 Cl6 Fe2 N4 O2 S2 -","2","1","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.1188","0.0581","","","0.1336","0.164","","","","","","0.94","","","","has coordinates","223086","2020-10-21","18:00:00",""
"4034601","10.2382","0.0007","10.5403","0.0006","14.96","0.0009","101.312","0.003","96.876","0.003","101.715","0.003","1528.5","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 Cl2 Fe N2 O2 S Se -","- C34 H25 Cl2 Fe N2 O2 S Se -","- C68 H50 Cl4 Fe2 N4 O4 S2 Se2 -","2","1","","Sattar, Moh; Patidar, Krishna; Thorat, Raviraj Ananda; Kumar, Sangit","Copper-Mediated Selective Mono- and Sequential Organochalcogenation of C-H Bonds: Synthesis of Hybrid Unsymmetrical Aryl Ferrocene Chalcogenides.","The Journal of organic chemistry","2019","84","11","6669","6678","10.1021/acs.joc.9b00311","","","0.71073","MoKα","","0.0618","0.0431","","","0.0936","0.1016","","","","","","1.013","","","","has coordinates","223087","2020-10-21","18:00:00",""
"4034602","7.5106","0.0004","8.1242","0.0003","46.103","0.003","90","","90","","90","","2813.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N3 O9 -","- C31 H27 N3 O9 -","- C124 H108 N12 O36 -","4","1","","Zuo, Xiong; Liu, Xiong-Li; Wang, Jun-Xin; Yao, Yi-Ming; Zhou, Yan-You; Wei, Qi-Di; Gong, Yi; Zhou, Ying","Organocatalytic Reaction of Chromone-Oxindole Synthon: Access to Chromanone-Based Spirocyclohexaneoxindoles with Five Adjacent Stereocenters.","The Journal of organic chemistry","2019","84","11","6679","6688","10.1021/acs.joc.9b00326","","x-ray","1.54184","CuKα","","0.0708","0.0673","","","0.1729","0.1753","","","","","","1.067","","","","has coordinates","223088","2020-10-21","18:00:00",""
"4034603","6.0244","0.0002","10.8597","0.0004","12.0848","0.0004","90","","90.221","0.002","90","","790.62","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C32 H42 Cl2 N4 O4 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0392","0.0354","","","0.0818","0.0835","","","","","","1.065","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034604","8.8127","0.0002","12.4251","0.0003","16.7855","0.0004","90","","90","","90","","1837.99","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O4 -","- C18 H25 Cl N2 O4 -","- C72 H100 Cl4 N8 O16 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0314","0.0298","","","0.0681","0.0687","","","","","","1.069","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034605","5.9927","0.0001","15.8308","0.0003","16.9752","0.0003","90","","90","","90","","1610.42","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl F N2 O2 -","- C16 H20 Cl F N2 O2 -","- C64 H80 Cl4 F4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0401","0.036","","","0.0915","0.0938","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034606","10.0063","0.0003","12.9939","0.0004","14.0411","0.0003","90","","106.272","0.0017","90","","1752.51","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl N3 O4 -","- C16 H20 Cl N3 O4 -","- C64 H80 Cl4 N12 O16 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0449","0.0364","","","0.0811","0.0854","","","","","","1.027","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034607","6.154","0.0004","14.8883","0.001","15.8902","0.001","90","","90","","90","","1455.9","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N2 O2 -","- C15 H19 Cl N2 O2 -","- C60 H76 Cl4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0316","0.0283","","","0.0651","0.0669","","","","","","1.045","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034608","6.6026","0.0001","16.0983","0.0003","11.7124","0.0002","90","","103.279","0.001","90","","1211.63","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl N2 O2 -","- C10 H17 Cl N2 O2 -","- C40 H68 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.031","0.0282","","","0.0647","0.066","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034609","8.11","0.0001","14.6693","0.0002","11.5814","0.0002","90","","94.617","0.001","90","","1373.35","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 Cl N2 O2 -","- C12 H21 Cl N2 O2 -","- C48 H84 Cl4 N8 O8 -","4","2","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.034","0.0302","","","0.068","0.0698","","","","","","1.038","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034610","12.1176","0.0004","7.5277","0.0003","12.3487","0.0004","90","","114.006","0.002","90","","1028.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0475","0.041","","","0.0926","0.0962","","","","","","1.058","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034611","10.6364","0.0002","5.2321","0.0001","18.8702","0.0003","90","","103.104","0.001","90","","1022.79","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 O7 S -","- C19 H32 O7 S -","- C38 H64 O14 S2 -","2","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0348","0.0342","","","0.0933","0.0936","","","","","","1.16","","","","has coordinates","223090","2020-10-21","18:00:00",""
"4034612","21.5846","0.00002","5.0243","0.00001","19.5658","0.00002","90","","98.775","0.003","90","","2097.03","0.018","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H33 O7.5 S -","- C19 H33 O7.5 S -","- C76 H132 O30 S4 -","4","1","","Ferko, Branislav; Zeman, Marián; Formica, Michele; Veselý, Sebastián; Doháňošová, Jana; Moncol, Ján; Olejníková, Petra; Berkeš, Dušan; Jakubec, Pavol; Dixon, Darren J.; Caletková, Ol'ga","Total Synthesis of Berkeleylactone A.","The Journal of organic chemistry","2019","84","11","7159","7165","10.1021/acs.joc.9b00850","","","1.54186","CuKα","","0.0343","0.0303","","0.0786","0.0765","0.0786","","","","","","1.0202","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4034613","12.18","0.002","13.002","0.003","23.231","0.005","90","","102.88","0.03","90","","3586.4","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 F3 N2 O -","- C20 H19 F3 N2 O -","- C160 H152 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71075","MoKα","","0.0684","0.0516","","","0.1216","0.1303","","","","","","1.032","","","","has coordinates","223091","2020-10-21","18:00:00",""
"4034614","8.9628","0.0018","9.4248","0.0019","9.828","0.002","72.59","0.03","76.23","0.03","66.65","0.03","720.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C34 H26 F6 N4 O2 -","2","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71075","MoKα","","0.0945","0.0601","","","0.132","0.1501","","","","","","1.027","","","","has coordinates","223092","2020-10-21","18:00:00",""
"4034615","27.797","0.003","12.3377","0.0013","22.253","0.002","90","","124.115","0.003","90","","6318.4","1.1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H50 Br4 N8 O9 Pd4 -","- C65 H50 Br4 N8 O9 Pd4 -","- C260 H200 Br16 N32 O36 Pd16 -","4","0.5","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.71073","MoKα","","0.0311","0.025","","","0.0576","0.061","","","","","","1.049","","","","has coordinates,has disorder","223093","2020-10-21","18:00:00",""
"4034616","11.9093","0.0004","4.2046","0.0001","17.3663","0.0006","90","","92.247","0.002","90","","868.93","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I N2 -","- C9 H7 I N2 -","- C36 H28 I4 N8 -","4","1","","Kazi, Imran; Guha, Somraj; Sekar, Govindasamy","Halogen Bond-Assisted Electron-Catalyzed Atom Economic Iodination of Heteroarenes at Room Temperature.","The Journal of organic chemistry","2019","84","11","6642","6654","10.1021/acs.joc.9b00174","","","0.71073","MoKα","","0.0245","0.0202","","","0.0423","0.0442","","","","","","1.068","","","","has coordinates","223094","2020-10-21","18:00:00",""
"4034617","8.835","0.004","10.618","0.005","21.406","0.01","90","","94.091","0.008","90","","2003","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.1186","0.0568","","","0.1202","0.15","","","","","","0.997","","","","has coordinates","223095","2020-10-21","18:00:00",""
"4034618","9.395","0.003","10.61","0.003","11.09","0.004","75.545","0.006","84.22","0.007","76.423","0.007","1039.5","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F O2 P -","- C27 H20 F O2 P -","- C54 H40 F2 O4 P2 -","2","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.083","0.0454","","","0.0943","0.1166","","","","","","1.029","","","","has coordinates,has disorder","223096","2020-10-21","18:00:00",""
"4034619","10.256","0.005","23.54","0.012","9.465","0.005","90","","94.141","0.009","90","","2279","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F3 O2 P -","- C28 H20 F3 O2 P -","- C112 H80 F12 O8 P4 -","4","1","","Qiao, Ming-Ming; Liu, Yi-Yin; Yao, Sheng; Ma, Tian-Cong; Tang, Zi-Long; Shi, De-Qing; Xiao, Wen-Jing","Photoredox/Cobalt-Catalyzed Phosphinyloxy Radical Addition/Cyclization Cascade: Synthesis of Phosphaisocoumarins.","The Journal of organic chemistry","2019","84","11","6798","6806","10.1021/acs.joc.9b00570","","","0.71073","MoKα","","0.1106","0.0597","","","0.15","0.1832","","","","","","1.019","","","","has coordinates,has disorder","223097","2020-10-21","18:00:00",""
"4034620","8.33461","0.00016","10.798","0.0002","17.6151","0.0003","90","","103.262","0.0019","90","","1543.03","0.05","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylisatin","1-methylindole-2,3-dione","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C72 H56 N8 O16 -","8","2","","Martínez Suárez, Jaime F; Caram, José A; Echeverría, Gustavo A; Piro, Oscar E.; Gennaro, Ana M.; Mirífico, María V","Electrosynthesis of N-Methylisatin.","The Journal of organic chemistry","2019","84","11","6879","6885","10.1021/acs.joc.9b00690","","x-ray","1.54184","CuKα","","0.0479","0.0413","","","0.1189","0.1287","","","","","","1.038","","","","has coordinates","223098","2020-10-21","18:00:00",""
"4034621","12.8491","0.0003","12.8491","0.0003","22.5713","0.0005","90","","90","","120","","3227.25","0.13","253","0.1","253","0.1","","","","","","","","7","P 61","P 61","169","","","","- C19 H23 Cl N O4 P S -","- C19 H23 Cl N O4 P S -","- C114 H138 Cl6 N6 O24 P6 S6 -","6","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0313","0.0306","","","0.0832","0.0842","","","","","","1.062","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034622","6.1288","0.0012","16.1","0.003","22.181","0.004","90","","90","","90","","2188.7","0.7","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N O4 P S -","- C19 H25 Cl N O4 P S -","- C76 H100 Cl4 N4 O16 P4 S4 -","4","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0557","0.0468","","","0.1203","0.1308","","","","","","1.044","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034623","6.1681","0.0017","8.599","0.002","45.381","0.012","90","","91.368","0.006","90","","2406.3","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F3 N O2 S -","- C26 H23 Cl F3 N O2 S -","- C104 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.194","0.0771","","","0.166","0.2044","","","","","","1.037","","","","has coordinates","223100","2020-10-21","18:00:00",""
"4034624","6.5738","0.0003","9.2172","0.0004","35.5118","0.0013","90","","90","","90","","2151.73","0.16","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.0514","0.0396","","","0.0912","0.096","","","","","","1.032","","","","has coordinates","223101","2020-10-21","18:00:00",""
"4034625","12.6698","0.001","12.0237","0.0009","15.1369","0.0011","90","","108.243","0.002","90","","2190","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.1484","0.0724","","","0.1785","0.2178","","","","","","1.045","","","","has coordinates","223102","2020-10-21","18:00:00",""
"4034626","11.1571","0.0002","12.454","0.0002","11.9","0.0002","90","","90.045","0.001","90","","1653.51","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Arutiunov, Nikolai A.; Aksenov, Nicolai A.; Aleksandrova, Elena V.; Zhao, Zhenze; Du, Liqin; Kornienko, Alexander; Rubin, Michael","Synthesis of Spiro[indole-3,5'-isoxazoles] with Anticancer Activity via a Formal [4 + 1]-Spirocyclization of Nitroalkenes to Indoles.","The Journal of organic chemistry","2019","84","11","7123","7137","10.1021/acs.joc.9b00808","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.1197","0.1221","","","","","","1.049","","","","has coordinates","223103","2020-10-21","18:00:00",""
"4034627","20.7396","0.0004","8.9839","0.0002","21.9017","0.0005","90","","90","","90","","4080.78","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Yoshida, Yasushi; Hiroshige, Tomohiko; Omori, Kazuki; Mino, Takashi; Sakamoto, Masami","Chemo- and Regioselective Asymmetric Synthesis of Cyclic Enamides through the Catalytic Umpolung Organocascade Reaction of α-Imino Amides.","The Journal of organic chemistry","2019","84","11","7362","7371","10.1021/acs.joc.9b01036","","","1.54178","CuKα","","0.0419","0.0376","","","0.1037","0.1081","","","","","","1.05","","","","has coordinates","223104","2020-10-21","18:00:00",""
"4034628","14.0004","0.0003","11.9503","0.0003","17.5757","0.0004","90","","107.37","0.0009","90","","2806.47","0.11","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N2 O -","- C34 H36 N2 O -","- C136 H144 N8 O4 -","4","1","","Su, Yingpeng; Zhao, Yanan; Chang, Bingbing; Zhao, Xiaolong; Zhang, Rong; Liu, Xuan; Huang, Danfeng; Wang, Ke-Hu; Huo, Congde; Hu, Yulai","[3 + 2] Cycloaddition of para-Quinone Methides with Nitrile Imines: Approach to Spiro-pyrazoline-cyclohexadienones.","The Journal of organic chemistry","2019","84","11","6719","6728","10.1021/acs.joc.9b00434","","","1.54178","CuKα","","0.0644","0.0621","","","0.1693","0.1725","","","","","","1.065","","","","has coordinates","223105","2020-10-21","18:00:00",""
"4034629","5.566","0.0002","13.8503","0.0005","16.9333","0.0006","90","","91.13","0.001","90","","1305.15","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Yi, Fengping; Sun, Qihui; Sun, Jing; Fu, Chao; Yi, Weiyin","Terminal Alkyne-Assisted One-Pot Synthesis of Arylamidines: Carbon Source of the Amidine Group from Oxime Chlorides.","The Journal of organic chemistry","2019","84","11","6780","6787","10.1021/acs.joc.9b00538","","","1.54178","CuKα","","0.0343","0.0314","","","0.0822","0.0843","","","","","","1.086","","","","has coordinates","223106","2020-10-21","18:00:00",""
"4034630","10.3734","0.0005","10.4862","0.0005","16.0455","0.0007","71.411","0.002","82.811","0.003","60.942","0.002","1445.17","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 Cl2 N4 -","- C31 H34 Cl2 N4 -","- C62 H68 Cl4 N8 -","2","1","","Dutta, Ranjan; Samala, Srinivas; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","meso-Bis(ethynyl) Versus meso-Bis(aryl) Calix[4]pyrroles: Dimensionally Well-Modulated Receptors That Can Regulate the Anion Binding Domains.","The Journal of organic chemistry","2019","84","11","6851","6857","10.1021/acs.joc.9b00639","","","0.71073","MoKα","","0.0962","0.0572","","","0.1194","0.1393","","","","","","1.015","","","","has coordinates","223107","2020-10-21","18:00:00",""
"4034631","10.509","0.002","14.05","0.003","14.974","0.003","69.53","0.03","87.69","0.03","81.67","0.03","2049.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H54 N4 O Si2 -","- C39 H54 N4 O Si2 -","- C78 H108 N8 O2 Si4 -","2","1","","Dutta, Ranjan; Samala, Srinivas; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","meso-Bis(ethynyl) Versus meso-Bis(aryl) Calix[4]pyrroles: Dimensionally Well-Modulated Receptors That Can Regulate the Anion Binding Domains.","The Journal of organic chemistry","2019","84","11","6851","6857","10.1021/acs.joc.9b00639","","x-ray","0.63","synchrotron","","0.0816","0.071","","","0.2227","0.2346","","","","","","1.087","","","","has coordinates","223108","2020-10-21","18:00:00",""
"4034632","9.1144","0.001","9.4623","0.001","10.9816","0.0012","79.346","0.009","72.139","0.01","65.185","0.011","816.48","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C32 H34 Br2 N4 O8 -","2","1","","Babu, Venkata Nagarjuna; Murugan, Arumugavel; Katta, Narenderreddy; Devatha, Suman; Sharada, Duddu S.","Exocyclic N-Acyliminium Ion (NAI) Cyclization: Access to Fully Substituted Oxazoles and Furocoumarins.","The Journal of organic chemistry","2019","84","11","6631","6641","10.1021/acs.joc.9b00096","","","1.5418","CuKα","","0.0626","0.0453","","","0.1389","0.1473","","","","","","1.179","","","","has coordinates","223109","2020-10-21","18:00:00",""
"4034633","23.969","0.0012","8.5622","0.0004","19.4153","0.0009","90","","128.055","0.001","90","","3137.5","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C152 H128 N32 -","8","1","","Li, Na; Bai, Jinku; Zheng, Xiaolin; Rao, Honghua","Formation of Methylene Linkage for N-Heterocycles: Sequential C-H and C-O Bond Functionalization of Methanol with Cosolvent Water.","The Journal of organic chemistry","2019","84","11","6928","6939","10.1021/acs.joc.9b00729","","","0.71073","MoKα","","0.1009","0.0743","","","0.2006","0.2205","","","","","","1.042","","","","has coordinates","223110","2020-10-21","18:00:00",""
"4034634","9.3487","0.0015","10.2759","0.0016","14.892","0.002","77.916","0.002","79.1443","0.0019","89.242","0.002","1373.4","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H35 B F4 N P S -","- C29 H35 B F4 N P S -","- C58 H70 B2 F8 N2 P2 S2 -","2","1","","Heiss, Tyler K.; Prescher, Jennifer A.","Cyclopropeniminium Ions Exhibit Unique Reactivity Profiles with Bioorthogonal Phosphines.","The Journal of organic chemistry","2019","84","11","7443","7448","10.1021/acs.joc.9b00518","","","0.71073","MoKα","","0.0557","0.0465","","","0.1175","0.1232","","","","","","1.026","","","","has coordinates","223111","2020-10-21","18:00:00",""
"4034635","9.02944","0.00009","10.3803","0.0002","23.2249","0.0002","90","","90","","90","","2176.83","0.05","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-N,N-dimethyl-1-(2-phenylferrocenyl)ethan-1-amine - phenol (1/1)","","- C26 H29 Fe N O -","- C26 H29 Fe N O -","- C104 H116 Fe4 N4 O4 -","4","1","","Plevová, Kristína; Mudráková, Brigita; Rakovský, Erik; Šebesta, Radovan","Diastereoselective Pd-Catalyzed C-H Arylation of Ferrocenylmethanamines with Arylboronic Acids or Pinacol Esters.","The Journal of organic chemistry","2019","84","11","7312","7319","10.1021/acs.joc.9b00953","","","1.54186","CuKα","","0.0309","0.0292","","","0.0699","0.0713","","","","","","1.043","","","","has coordinates","223112","2020-10-21","18:00:00",""
"4034636","12.3322","0.0006","9.6323","0.0005","21.0939","0.001","90","","91.129","0.003","90","","2505.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O5 -","- C32 H28 O5 -","- C128 H112 O20 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.0721","0.0469","","","0.1032","0.1154","","","","","","1.022","","","","has coordinates","223113","2020-10-21","18:00:00",""
"4034637","14.3284","0.0006","16.2797","0.0008","21.9001","0.001","90","","92.092","0.004","90","","5105.1","0.4","100.2","0.9","100.2","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N0 O5 -","- C34 H28 O5 -","- C272 H224 O40 -","8","2","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.","The Journal of organic chemistry","2019","84","11","7279","7290","10.1021/acs.joc.9b00939","","","0.71073","MoKα","","0.2598","0.2366","","","0.5669","0.5761","","","","","","1.101","","","","has coordinates","223114","2020-10-21","18:00:00",""
"4034638","10.8152","0.0018","18.697","0.003","12.86","0.002","90","","96.46","0.003","90","","2583.9","0.7","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 N4 O2 -","- C30 H22 Cl2 N4 O2 -","- C120 H88 Cl8 N16 O8 -","4","1","","Li, Ming; Li, Wei; Lin, Cheng-Dong; Wang, Jia-Hui; Wen, Li-Rong","One Base for Two Shots: Metal-Free Substituent-Controlled Synthesis of Two Kinds of Oxadiazine Derivatives from Alkynylbenziodoxolones and Amidoximes.","The Journal of organic chemistry","2019","84","11","6904","6915","10.1021/acs.joc.9b00659","","","0.71073","MoKα","","0.0601","0.0546","","","0.1111","0.1142","","","","","","1.169","","","","has coordinates","223115","2020-10-21","18:00:00",""
"4034639","12.8072","0.0007","6.0525","0.0004","16.8346","0.0009","90","","91.053","0.005","90","","1304.72","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","x-ray","1.54184","CuKα","","0.0466","0.0428","","","0.111","0.1147","","","","","","1.032","","","","has coordinates","223116","2020-10-21","18:00:00",""
"4034640","11.1472","0.0003","8.8578","0.0002","14.7757","0.0004","90","","101.894","0.003","90","","1427.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl3 N2 O -","- C13 H13 Cl3 N2 O -","- C52 H52 Cl12 N8 O4 -","4","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","","0.71073","MoKα","","0.0426","0.0325","","","0.0686","0.0733","","","","","","1.052","","","","has coordinates","223117","2020-10-21","18:00:00",""
"4034641","8.5663","0.0004","9.2482","0.0004","10.8111","0.0005","105.441","0.004","113.046","0.004","97.005","0.004","734.57","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl3 N2 O3 -","- C13 H13 Cl3 N2 O3 -","- C26 H26 Cl6 N4 O6 -","2","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","","0.71073","MoKα","","0.0255","0.0232","","","0.054","0.0553","","","","","","1.07","","","","has coordinates","223118","2020-10-21","18:00:00",""
"4034642","7.5047","0.0003","9.2211","0.0004","11.4499","0.0006","90.884","0.004","103.956","0.004","95.264","0.004","765.14","0.06","114","2","114","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C36 H34 F2 N4 O2 -","2","1","","Golushko, Andrei A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.","Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.","The Journal of organic chemistry","2019","84","11","7495","7500","10.1021/acs.joc.9b00812","","x-ray","1.54184","CuKα","","0.0497","0.0411","","","0.1097","0.1156","","","","","","1.07","","","","has coordinates","223119","2020-10-21","18:00:00",""
"4034643","6.5779","0.0009","11.3665","0.0014","12.6177","0.0018","64.977","0.013","78.727","0.012","84.893","0.011","838.3","0.2","292.87","0.1","292.87","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 I N2 O2 -","- C18 H15 I N2 O2 -","- C36 H30 I2 N4 O4 -","2","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0924","0.0593","","","0.1363","0.1671","","","","","","1.084","","","","has coordinates","223120","2020-10-21","18:00:00",""
"4034644","17.28","0.004","7.0153","0.0011","7.3724","0.001","90","","102.57","0.02","90","","872.3","0.3","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai","Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones.","The Journal of organic chemistry","2019","84","11","6946","6961","10.1021/acs.joc.9b00733","","","0.71073","MoKα","","0.0476","0.0442","","","0.1112","0.1152","","","","","","1.103","","","","has coordinates","223121","2020-10-21","18:00:00",""
"4034645","8.3012","0.0003","11.343","0.0004","13.0055","0.0005","93.515","0.002","103.769","0.002","110.518","0.002","1099.77","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O4 P S -","- C25 H20 N O4 P S -","- C50 H40 N2 O8 P2 S2 -","2","1","","Deng, Chun-Lin; Bard, Jeremy P.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Naphtho[2,1- e]-1,2-azaphosphorine 2-Oxide Derivatives: Synthesis, Optoelectronic Properties, and Self-Dimerization Phenomena.","The Journal of organic chemistry","2019","84","12","8131","8139","10.1021/acs.joc.9b00994","","","1.54178","CuKα","","0.0424","0.037","","","0.0993","0.1039","","","","","","1.029","","","","has coordinates","223122","2020-10-21","18:00:00",""
"4034646","12.7196","0.0006","14.8501","0.0007","15.4304","0.0007","117.135","0.003","106.977","0.003","94.402","0.004","2404.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cl3 N2 O2 P -","- C25 H17 N2 O2 P -","- C100 H68 N8 O8 P4 -","4","2","","Deng, Chun-Lin; Bard, Jeremy P.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Naphtho[2,1- e]-1,2-azaphosphorine 2-Oxide Derivatives: Synthesis, Optoelectronic Properties, and Self-Dimerization Phenomena.","The Journal of organic chemistry","2019","84","12","8131","8139","10.1021/acs.joc.9b00994","","","1.54178","CuKα","","0.1241","0.1027","","","0.2856","0.3052","","","","","","1.115","","","","has coordinates","223123","2020-10-21","18:00:00",""
"4034647","9.2466","0.0002","18.4489","0.0005","20.5607","0.0005","104.176","0.002","99.4171","0.0019","94.7816","0.0019","3326.75","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C177 H123 F9 O33 S3 -","- C177 H123 F9 O33 S3 -","- C177 H123 F9 O33 S3 -","1","0.5","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","A Protonated Quinone Methide Stabilized by a Combination of Partial Aromatization and π-Interaction: Spectroscopic and Crystallographic Analysis.","The Journal of organic chemistry","2019","84","12","8284","8288","10.1021/acs.joc.9b00923","","","0.71073","MoKα","","0.0528","0.0419","","","0.1183","0.1288","","","","","","1.019","","","","has coordinates,has disorder","223124","2020-10-21","18:00:00",""
"4034648","7.9839","0.0004","9.8531","0.0004","15.2245","0.0007","72.988","0.004","89.602","0.004","80.801","0.004","1129.51","0.09","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","- C59 H42 Cl2 O8 -","1","0.5","","Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas","A Protonated Quinone Methide Stabilized by a Combination of Partial Aromatization and π-Interaction: Spectroscopic and Crystallographic Analysis.","The Journal of organic chemistry","2019","84","12","8284","8288","10.1021/acs.joc.9b00923","","","0.71073","MoKα","","0.0636","0.0479","","","0.1066","0.1158","","","","","","1.039","","","","has coordinates,has disorder","223125","2020-10-21","18:00:00",""
"4034649","8.8449","0.0004","18.7623","0.0008","11.3664","0.0005","90","","95.801","0.001","90","","1876.6","0.14","273","0.2","273","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N4 O3 S -","- C17 H19 Cl N4 O3 S -","- C68 H76 Cl4 N16 O12 S4 -","4","2","","Hajra, Saumen; Abu Saleh, S. K.; Hazra, Atanu; Singh, Maya Shankar","Organocatalytic Domino Reaction of Spiroaziridine Oxindoles and Malononitrile for the Enantiopure Synthesis of Spiro[dihydropyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2019","84","12","8194","8201","10.1021/acs.joc.9b01226","","","0.71073","MoKα","","0.0343","0.0339","","","0.0886","0.089","","","","","","1.048","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034650","9.1234","0.0001","16.3488","0.0001","37.5189","0.0003","90","","90","","90","","5596.19","0.08","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O3 -","- C33 H39 N O3 -","- C264 H312 N8 O24 -","8","2","","Yang, Guo-Hui; Zhao, Qun; Zhang, Zhi-Pei; Zheng, Han-Liang; Chen, Li; Li, Xin","Asymmetric Cycloaddition of ortho-Hydroxyphenyl-Substituted para-Quinone Methides and Enamides Catalyzed by Chiral Phosphoric Acid.","The Journal of organic chemistry","2019","84","12","7883","7893","10.1021/acs.joc.9b00749","","x-ray","1.54184","CuKα","","0.0382","0.0355","","","0.0937","0.0958","","","","","","1.046","","","","has coordinates","223127","2020-10-21","18:00:00",""
"4034651","9.7016","0.0003","11.9655","0.0003","20.8347","0.0006","90","","90","","90","","2418.59","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O2 S -","- C26 H37 N O2 S -","- C104 H148 N4 O8 S4 -","4","1","","Kikuchi, Yuki; Nakamura, Chisato; Matsuoka, Mizuki; Asami, Rina; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Sulfonamides through Chiral Palladium-Catalyzed N-Allylation.","The Journal of organic chemistry","2019","84","12","8112","8120","10.1021/acs.joc.9b00989","","","0.71073","MoKα","","0.0345","0.0299","","","0.0766","0.08","","","","","","1.06","","","","has coordinates","223128","2020-10-21","18:00:00",""
"4034652","8.433","0.0005","10.8448","0.0006","12.9749","0.0008","90","","90","","90","","1186.61","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0474","0.0379","","","0.085","0.0904","","","","","","0.914","","","","has coordinates","223129","2020-10-21","18:00:00",""
"4034653","16.7645","0.0009","7.1009","0.0004","15.2474","0.0008","90","","108.694","0.006","90","","1719.34","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O4 -","- C19 H16 N4 O4 -","- C76 H64 N16 O16 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0946","0.0643","","","0.1551","0.1719","","","","","","1.022","","","","has coordinates","223130","2020-10-21","18:00:00",""
"4034654","13.0333","0.0003","6.8004","0.0002","17.1688","0.0004","90","","90","","90","","1521.7","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","0.5","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0421","0.0377","","","0.0935","0.0965","","","","","","1.073","","","","has coordinates","223131","2020-10-21","18:00:00",""
"4034655","8.7124","0.0004","28.1168","0.001","15.7854","0.0005","90","","94.165","0.004","90","","3856.7","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H33 Cl2 F2 N7 O2 Pd -","- C43 H33 Cl2 F2 N7 O2 Pd -","- C172 H132 Cl8 F8 N28 O8 Pd4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0644","0.0471","","","0.0987","0.1102","","","","","","1.043","","","","has coordinates","223132","2020-10-21","18:00:00",""
"4034656","3.9295","0.0004","18.2181","0.0016","10.247","0.001","90","","97.12","0.009","90","","727.91","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.33 H8 N2.67 S1.33 -","- C9.33333 H8 N2.66667 S1.33333 -","- C28 H24 N8 S4 -","3","0.75","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0867","0.0734","","","0.1698","0.1772","","","","","","1.156","","","","has coordinates","223133","2020-10-21","18:00:00",""
"4034657","20.8007","0.0015","14.1869","0.0011","15.5305","0.0014","90","","92.242","0.008","90","","4579.5","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 F2 N6 O2 Pd -","- C45 H30 F2 N6 O2 Pd -","- C180 H120 F8 N24 O8 Pd4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","","0.71073","MoKα","","0.0957","0.065","","","0.1926","0.2454","","","","","","1.08","","","","has coordinates","223134","2020-10-21","18:00:00",""
"4034658","8.2188","0.0005","19.2559","0.0009","6.6689","0.0004","90","","90","","90","","1055.42","0.1","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -","- C32 H20 Cl4 F12 N4 O8 S4 -","8","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.044","0.0369","","","0.088","0.0941","","","","","","1.107","","","","has coordinates","223135","2020-10-21","18:00:00",""
"4034659","11.2985","0.0015","6.4748","0.0009","15.103","0.002","90","","104.709","0.015","90","","1068.7","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.1298","0.0705","","","0.141","0.186","","","","","","1.058","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034660","7.4999","0.0002","10.9169","0.0006","14.4193","0.0007","78.395","0.004","81.878","0.003","82.656","0.003","1138.82","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F5 N S -","- C12 H6 F5 N S -","- C48 H24 F20 N4 S4 -","4","2","","Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata","Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.","The Journal of organic chemistry","2019","84","12","8315","8321","10.1021/acs.joc.9b01074","","x-ray","0.71073","MoKα","","0.0637","0.0544","","","0.1629","0.1755","","","","","","1.073","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034661","11.3033","0.0007","10.9964","0.0007","17.009","0.001","90","","106.577","0.002","90","","2026.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0441","0.0378","","","0.1048","0.1114","","","","","","1.034","","","","has coordinates","223138","2020-10-21","18:00:00",""
"4034662","8.6581","0.001","9.964","0.0012","23.395","0.003","90","","90","","90","","2018.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl N2 O3 S -","- C20 Cl N2 O3 S -","- C80 Cl4 N8 O12 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0614","0.0539","","","0.1548","0.1666","","","","","","1.097","","","","has coordinates","223139","2020-10-21","18:00:00",""
"4034663","7.3636","0.0008","8.0204","0.0009","18.386","0.002","90.452","0.002","94.406","0.002","105.314","0.002","1043.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 S3 -","- C10 H8 S3 -","- C40 H32 S12 -","4","2","","Xu, Hong-Hui; Zhang, Xiao-Hong; Zhang, Xing-Guo","Copper-Catalyzed Tandem Sulfuration/Annulation of Propargylamines with Sulfur via C-N Bond Cleavage.","The Journal of organic chemistry","2019","84","12","7894","7900","10.1021/acs.joc.9b00685","","","0.71073","MoKα","","0.0587","0.0364","","","0.0884","0.1006","","","","","","1.03","","","","has coordinates","223140","2020-10-21","18:00:00",""
"4034664","19.2701","0.0014","8.2426","0.0006","20.874","0.0016","90","","115.56","0.002","90","","2991.1","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 N7 O3 Pd S -","- C32 H35 N7 O3 Pd S -","- C128 H140 N28 O12 Pd4 S4 -","4","1","","Wisniewski, Steven R.; Savage, Scott A.; Romero, Evan O.; Eastgate, Martin D.; Tan, Yichen; Simmons, Eric M.; Plata, R. Erik; Sowa, Jr, John R; Blackmond, Donna G.","Utilizing Native Directing Groups: Mechanistic Understanding of a Direct Arylation Leads to Formation of Tetracyclic Heterocycles via Tandem Intermolecular, Intramolecular C-H Activation.","The Journal of organic chemistry","2019","84","12","7961","7970","10.1021/acs.joc.9b00823","","x-ray","0.71073","MoKα","","0.0749","0.0489","","","0.1258","0.1423","","","","","","1.042","","","","has coordinates","223141","2020-10-21","18:00:00",""
"4034665","15.447","0.003","4.7022","0.0009","16.247","0.003","90","","103.12","0.03","90","","1149.3","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Zhang, Wei; Pan, Yu-Liang; Yang, Chen; Chen, Li; Li, Xin; Cheng, Jin-Pei","Metal-Free Direct C-H Cyanoalkylation of Quinoxalin-2(1 H)-Ones by Organic Photoredox Catalysis.","The Journal of organic chemistry","2019","84","12","7786","7795","10.1021/acs.joc.9b00657","","","0.71073","MoKα","","0.0551","0.0437","","","0.1281","0.1393","","","","","","1.072","","","","has coordinates","223142","2020-10-21","18:00:00",""
"4034666","7.3559","0.0003","15.3767","0.0004","9.9606","0.0004","90","","109.59","0.004","90","","1061.42","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Chiral Bifunctional Amine-Squaramide-Catalyzed Highly Diastereo- and Enantioselective Michael/Aldol Cascade Reaction of 2-Mercaptobenzaldehyde and α,β-Unsaturated 7-Azaindoline Amides.","The Journal of organic chemistry","2019","84","12","7984","7994","10.1021/acs.joc.9b00837","","","0.71073","MoKα","","0.0468","0.037","","","0.0835","0.0886","","","","","","1.022","","","","has coordinates","223143","2020-10-21","18:00:00",""
"4034667","9.2446","0.0002","11.9262","0.0002","20.0912","0.0004","90","","90","","90","","2215.11","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O2 -","- C26 H22 Br N3 O2 -","- C104 H88 Br4 N12 O8 -","4","1","","Yang, Xiao-Chao; Liu, Meng-Meng; Mathey, François; Yang, Hua; Hua, Yuan-Zhao; Wang, Min-Can","Access to Chiral 2,5-Pyrrolidinyl Dispirooxindoles via Dinuclear Zinc-Catalyzed Asymmetric Cascade Reactions.","The Journal of organic chemistry","2019","84","12","7762","7775","10.1021/acs.joc.9b00645","","x-ray","1.54184","CuKα","","0.0348","0.0317","","","0.0799","0.0824","","","","","","1.038","","","","has coordinates","223144","2020-10-21","18:00:00",""
"4034668","7.8472","0.0002","13.1693","0.0004","15.6331","0.0004","65.377","0.003","82.399","0.003","87.32","0.003","1455.69","0.08","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N6 O2 -","- C34 H40 N6 O2 -","- C68 H80 N12 O4 -","2","1","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0403","0.036","","","0.0917","0.0953","","","","","","1.041","","","","has coordinates","223145","2020-10-21","18:00:00",""
"4034669","19.1887","0.0003","7.82212","0.00014","43.4449","0.0007","90","","93.6972","0.0014","90","","6507.35","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 B2 F4 N6 O2 -","- C34 H38 B2 F4 N6 O2 -","- C272 H304 B16 F32 N48 O16 -","8","4","","Patalag, Lukas J.; Loch, Maximilian; Jones, Peter G.; Werz, Daniel B.","Exploring the π-System of the (Aza-)BOIMPY Scaffold: Electron-Rich Pyrrole Moieties Working in Concert with Electron-Depleted Meso-Positions.","The Journal of organic chemistry","2019","84","12","7804","7814","10.1021/acs.joc.9b00603","","","1.54184","CuKα","","0.0377","0.0357","","","0.0924","0.0941","","","","","","1.028","","","","has coordinates,has disorder","223145","2020-10-21","18:00:00",""
"4034670","8.7072","0.0001","15.9416","0.0002","18.7685","0.0003","90","","90","","90","","2605.19","0.06","170","2","169.91","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C120 H140 N4 O12 -","4","1","","Wang, Jin-Rong; Jiang, Xiao-Li; Hang, Qing-Qing; Zhang, Shu; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Conjugate Addition of Indoles to para-Quinone Methide Derivatives.","The Journal of organic chemistry","2019","84","12","7829","7839","10.1021/acs.joc.9b00710","","","1.34139","GaKα","","0.0401","0.0349","","","0.0821","0.0858","","","","","","1.07","","","","has coordinates","223146","2020-10-21","18:00:00",""
"4034671","9.206","0.007","10.422","0.009","13.489","0.011","70.7","0.03","86.07","0.03","64.49","0.04","1098.2","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-(1S,3R,6R)-7,9-Dimethoxy-5,6-dimethyl-1,3-diphenyl-1,3,4,6-tetrahydroindeno[7,1-cd]oxepine","","- C28 H28 O3 -","- C28 H28 O3 -","- C56 H56 O6 -","2","1","","Mahesh, S. K.; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Tandem Addition/Electrocyclization/Benzylation of Alkyl Aryl-1,3-dienes and Aromatic Aldehydes: Access to Highly Substituted Indenes.","The Journal of organic chemistry","2019","84","12","7815","7828","10.1021/acs.joc.9b00679","","","0.71073","MoKα","","0.0674","0.052","","","0.1573","0.1722","","","","","","1.243","","","","has coordinates","223147","2020-10-21","18:00:00",""
"4034672","7.8869","0.0004","9.3365","0.0005","19.477","0.0011","81.863","0.002","80.9818","0.0017","65.5329","0.0017","1284.59","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±)-(1S,3R,6R)-1,3-Bis(2,6-dichlorophenyl)-7,9-dimethoxy-5,6-dimethyl-1,3,4,6-tetrahydroindeno[7,1-cd]oxepine","","- C28 H24 Cl4 O3 -","- C28 H24 Cl4 O3 -","- C56 H48 Cl8 O6 -","2","1","","Mahesh, S. K.; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","Tandem Addition/Electrocyclization/Benzylation of Alkyl Aryl-1,3-dienes and Aromatic Aldehydes: Access to Highly Substituted Indenes.","The Journal of organic chemistry","2019","84","12","7815","7828","10.1021/acs.joc.9b00679","","","0.71073","MoKα","","0.1044","0.0593","","","0.1451","0.1678","","","","","","1.024","","","","has coordinates","223148","2020-10-21","18:00:00",""
"4034673","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","223149","2020-10-21","18:00:00",""
"4034674","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","223150","2020-10-21","18:00:00",""
"4034675","6.6417","0.0003","10.7582","0.0005","22.9878","0.0011","90","","90","","90","","1642.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23.76 Cl0.24 O5 -","- C19 H23.757 Cl0.243 O5 -","- C76 H95.028 Cl0.972 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0351","0.0336","","","0.0822","0.0831","","","","","","1.002","","","","has coordinates,has disorder","223151","2020-10-21","18:00:00",""
"4034676","8.4827","0.0002","11.6842","0.0003","20.2986","0.0005","90","","93.727","0.002","90","","2007.61","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Thorve, Pradip Ramdas; Guru, Murali Mohan; Maji, Biplab","Manganese-Catalyzed Divergent Markovnikov Addition and [2+2+2] Cycloaddition of 2-Carbonyl Indanone with Terminal Alkyne.","The Journal of organic chemistry","2019","84","12","8185","8193","10.1021/acs.joc.9b01173","","x-ray","0.71073","MoKα","","0.052","0.0444","","","0.1033","0.1074","","","","","","1.069","","","","has coordinates","223152","2020-10-21","18:00:00",""
"4034677","10.06","0.009","19.154","0.018","10.988","0.01","90","","92.904","0.012","90","","2115","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 S2 -","- C23 H20 N2 O2 S2 -","- C92 H80 N8 O8 S8 -","4","1","","Xiao, Xinsheng; Huang, Sanping; Tang, Shanshan; Jia, Guokai; Ou, Guangchuan; Li, Yangyan","Ligand-Free, Quinoline N-Assisted Copper-Catalyzed Nitrene Transfer Reaction To Synthesize 8-Quinolylsulfimides.","The Journal of organic chemistry","2019","84","12","7618","7629","10.1021/acs.joc.9b00281","","","0.71073","MoKα","","0.088","0.0447","","","0.1237","0.1599","","","","","","1.07","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034678","10.6007","0.0003","11.6604","0.0003","12.0513","0.0003","108.277","0.001","103.559","0.0012","92.6408","0.001","1363.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O3 S -","- C32 H32 N2 O3 S -","- C64 H64 N4 O6 S2 -","2","1","","Rajasekar, Shanmugam; Anbarasan, Pazhamalai","One-Pot Transannulation of N-Sulfonyl-1,2,3-triazoles to Dihydro-β-carbolines and Dihydroisoquinolines via Rhodium-Catalyzed C-H Insertion-cum-Base-Mediated Aza-Michael Reaction.","The Journal of organic chemistry","2019","84","12","7747","7761","10.1021/acs.joc.9b00644","","x-ray","0.71073","MoKα","","0.06","0.0414","","","0.1007","0.1123","","","","","","1.041","","","","has coordinates","223154","2020-10-21","18:00:00",""
"4034679","16.0521","0.0004","8.5382","0.0002","20.395","0.0005","90","","112.092","0.001","90","","2590.03","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O4 S -","- C29 H28 N2 O4 S -","- C116 H112 N8 O16 S4 -","4","1","","Rajasekar, Shanmugam; Anbarasan, Pazhamalai","One-Pot Transannulation of N-Sulfonyl-1,2,3-triazoles to Dihydro-β-carbolines and Dihydroisoquinolines via Rhodium-Catalyzed C-H Insertion-cum-Base-Mediated Aza-Michael Reaction.","The Journal of organic chemistry","2019","84","12","7747","7761","10.1021/acs.joc.9b00644","","","0.71073","MoKα","","0.0772","0.0512","","","0.1246","0.1463","","","","","","1.029","","","","has coordinates","223155","2020-10-21","18:00:00",""
"4034680","30.464","0.003","10.2578","0.0011","10.0765","0.001","90","","90","","90","","3148.8","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C65 H8 O2 -","- C65 H8 O2 -","- C260 H32 O8 -","4","1","","Li, Dan; Li, Zong-Jun; He, Fa-Gui; Geng, Chao; Gao, Xiang","Synthesizing 1,23-C60 Adducts with Improved Efficiency: A Type of Stable and Highly Soluble C60 Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02272","","","0.71073","MoKα","","0.1386","0.0533","","","0.1023","0.1323","","","","","","0.733","","","","has coordinates","223264","2020-10-21","18:00:00",""
"4034681","14.35","0.0014","17.5032","0.0017","20.228","0.002","73.507","0.002","87.844","0.002","85.918","0.002","4858.5","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H30 O8 S2 -","- C79 H30 O8 S2 -","- C316 H120 O32 S8 -","4","2","","Li, Dan; Li, Zong-Jun; He, Fa-Gui; Geng, Chao; Gao, Xiang","Synthesizing 1,23-C60 Adducts with Improved Efficiency: A Type of Stable and Highly Soluble C60 Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02272","","","0.71073","MoKα","","0.1993","0.1249","","","0.3221","0.3727","","","","","","1.173","","","","has coordinates","223265","2020-10-21","18:00:00",""
"4034682","9.6177","0.0019","11.43","0.002","13.27","0.003","90","","90.27","0.03","90","","1458.8","0.5","113","2","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O7 -","- C15 H13 N O7 -","- C60 H52 N4 O28 -","4","1","","Shen, Hui-Jie; Duan, Ya-Nan; Zheng, Ke; Zhang, Chi","Redetermination of the Structure of a Water-Soluble Hypervalent Iodine(V) Reagent AIBX and Its Synthetic Utility in the Oxidation of Alcohols and Synthesis of Isoxazoline <i>N</i>-Oxides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02328","","","0.71073","MoKα","","0.0668","0.0415","","","0.0936","0.1184","","","","","","0.93","","","","has coordinates","223380","2020-10-21","18:00:00",""
"4034683","7.3732","0.0007","9.8713","0.0009","13.3675","0.0012","99.627","0.002","97.603","0.002","102.719","0.003","921.11","0.15","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Zhou, Peng; Yang, Wei-Tao; Rahman, Anis Ur; Li, Guigen; Jiang, Bo","Rh(III)-Catalyzed [3 + 3] Annulation Reaction of Cyclopropenones and Sulfoxonium Ylides toward Trisubstituted 2-Pyrones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02253","","","0.71073","MoKα","","0.0873","0.0499","","","0.1028","0.1134","","","","","","1.076","","","","has coordinates","223430","2020-10-21","18:00:00",""
"4034684","12.6714","0.0004","6.1189","0.0002","24.3445","0.0008","90","","98.6402","0.0013","90","","1866.13","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani","Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02527","","","0.71073","MoKα","","0.0537","0.0405","","","0.0976","0.1084","","","","","","1.033","","","","has coordinates","223431","2020-10-21","18:00:00",""
"4034685","8.9275","0.0005","10.3757","0.0007","21.3167","0.0013","90","","90","","90","","1974.5","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Manoharan, Ramasamy; Logeswaran, Ravichandran; Jeganmohan, Masilamani","Ru(II)- or Rh(III)-Catalyzed Difunctionalization of Alkenes by Tandem Cyclization of N-Aryl Acrylamides with Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02527","","","0.71073","MoKα","","0.0719","0.044","","","0.0837","0.0975","","","","","","1.02","","","","has coordinates","223432","2020-10-21","18:00:00",""
"4034686","8.9419","0.0003","28.4755","0.0006","9.9467","0.0003","90","","116.669","0.004","90","","2263.24","0.14","294.53","0.1","294.53","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y2","","- C31 H22 N O3 -","- C30 H22 N2 O3 -","- C120 H88 N8 O12 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0452","0.0402","","","0.102","0.1075","","","","","","1.049","","","","has coordinates","224704","2020-10-21","18:00:00",""
"4034687","8.1949","0.0005","8.5852","0.0005","10.9177","0.0007","79.529","0.005","87.131","0.005","85.915","0.005","752.86","0.08","296.2","0.4","296.2","0.4","","","","","","","","4","P -1","-P 1","2","","y2","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0481","0.0397","","","0.1003","0.1084","","","","","","1.027","","","","has coordinates","224706","2020-10-21","18:00:00",""
"4034688","18.544","0.0004","11.7459","0.0004","14.8965","0.0004","90","","93.306","0.002","90","","3239.3","0.16","294.8","0.4","294.8","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Y2","","- C19 H12 F3 N O3 -","- C19 H12 F3 N O3 -","- C152 H96 F24 N8 O24 -","8","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0615","0.0514","","","0.1482","0.1588","","","","","","1.081","","","","has coordinates","224708","2020-10-21","18:00:00",""
"4034689","17.301","0.0004","7.8804","0.0002","12.3166","0.0003","90","","93.197","0.002","90","","1676.62","0.07","294.47","0.1","294.47","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y2","","- C22 H15 N O3 -","- C22 H15 N O3 -","- C88 H60 N4 O12 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.1024","0.1089","","","","","","1.049","","","","has coordinates","224710","2020-10-21","18:00:00",""
"4034690","13.9277","0.0003","14.1983","0.0003","18.4795","0.0004","90","","110.551","0.003","90","","3421.75","0.14","294.41","0.1","294.41","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Y-II-162","","- C38 H34 N2 O8 -","- C2.375 H2.125 N0.125 O0.5 -","- C152 H136 N8 O32 -","64","16","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1201","0.1297","","","","","","1.02","","","","has coordinates","224712","2020-10-21","18:00:00",""
"4034691","7.7017","0.0003","10.8099","0.0005","11.7377","0.0006","115.04","0.005","102.168","0.004","97.486","0.003","838.48","0.08","296.7","0.17","296.7","0.17","","","","","","","","4","P -1","-P 1","2","","Y2","","- C20 H14 N O5 -","- C20 H15 N O5 -","- C40 H30 N2 O10 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0457","0.0427","","","0.1148","0.119","","","","","","1.046","","","","has coordinates","224715","2020-10-21","18:00:00",""
"4034692","7.5278","0.0005","7.5377","0.0005","13.1321","0.0006","98.873","0.004","94.769","0.005","106.281","0.006","700.4","0.08","295.11","0.1","295.11","0.1","","","","","","","","5","P -1","-P 1","2","","116","","- C18 H12 F N O3 -","- C18 H12 F N O3 -","- C36 H24 F2 N2 O6 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0512","0.0488","","","0.128","0.1314","","","","","","1.042","","","","has coordinates","224717","2020-10-21","18:00:00",""
"4034693","7.9444","0.0003","8.8275","0.0004","10.9655","0.0005","78.813","0.004","87.457","0.004","86.807","0.004","752.78","0.06","295.5","0.6","295.5","0.6","","","","","","","","4","P -1","-P 1","2","","1","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.046","0.0435","","","0.115","0.1191","","","","","","1.081","","","","has coordinates","224719","2020-10-21","18:00:00",""
"4034694","5.47677","0.00015","12.5741","0.0004","23.342","0.0006","90","","94.306","0.003","90","","1602.92","0.08","294.54","0.13","294.54","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0551","0.0431","","","0.1099","0.1213","","","","","","1.036","","","","has coordinates","224721","2020-10-21","18:00:00",""
"4034695","15.3481","0.0006","8.6768","0.0004","21.2841","0.0008","90","","93.94","0.004","90","","2827.8","0.2","294.31","0.15","294.31","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Y2","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C144 H104 N8 O24 -","8","2","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0532","0.0418","","","0.1078","0.1186","","","","","","1.023","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4034696","8.727","0.0007","9.2667","0.0008","12.6797","0.0012","74.37","0.008","72.94","0.008","84.241","0.007","943.79","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","Y2","","- C21 H21 N O3 Si -","- C21 H21 N O3 Si -","- C42 H42 N2 O6 Si2 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.0454","0.0383","","","0.0905","0.0962","","","","","","1.066","","","","has coordinates","224725","2020-10-21","18:00:00",""
"4034697","7.704","0.0002","13.0756","0.0004","15.2485","0.0004","90","","91.757","0.003","90","","1535.33","0.07","294.87","0.1","294.87","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","76","","- C19 H13 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.049","0.045","","","0.1156","0.1199","","","","","","1.094","","","","has coordinates","224727","2020-10-21","18:00:00",""
"4034698","7.817","0.0005","8.4933","0.0006","12.0759","0.0007","76.529","0.005","72.019","0.006","89.646","0.006","739.73","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","164","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C38 H26 N2 O8 -","2","1","","Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng","Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02289","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0913","0.0974","","","","","","1.035","","","","has coordinates","224729","2020-10-21","18:00:00",""
"4034699","7.1537","0.0001","19.3801","0.0003","20.9999","0.0004","90","","90","","90","","2911.41","0.08","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0694","0.0671","","","0.15","0.1511","","","","","","1.363","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034700","7.2788","0.0002","8.7498","0.0002","13.49","0.0005","81.525","0.002","83.346","0.003","82.899","0.002","839.07","0.04","110","2","110.15","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 N4 O2 -","- C40 H50 N4 O2 -","- C40 H50 N4 O2 -","1","0.5","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0665","0.0425","","","0.1071","0.1228","","","","","","1.055","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034701","6.9887","0.0002","10.3971","0.0002","14.9094","0.0004","72.261","0.002","78.663","0.002","80.202","0.002","1004.63","0.05","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 N3 O2 S -","- C22 H13 N3 O2 S -","- C44 H26 N6 O4 S2 -","2","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0431","0.0362","","","0.0971","0.1029","","","","","","1.029","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034702","5.1447","0.0003","9.3119","0.0005","10.5693","0.0005","80.705","0.004","79.917","0.005","89.967","0.005","491.78","0.05","110","2","110.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 S2 -","- C24 H18 N4 S2 -","- C24 H18 N4 S2 -","1","0.5","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","0.71073","MoKα","","0.0773","0.0708","","","0.1907","0.1964","","","","","","1.177","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034703","4.5752","0.0012","22.619","0.006","15.627","0.005","90","","96.157","0.01","90","","1607.9","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 F N4 O2 -","- C20 H11 F N4 O2 -","- C80 H44 F4 N16 O8 -","4","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","","0.71073","MoKα","","0.0409","0.0322","","","0.085","0.0914","","","","","","1.026","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034704","23.1591","0.0006","5.7258","0.0002","7.1647","0.0002","90","","94.102","0.003","90","","947.64","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-(4-fluorophenyl)oxazole-4-carboxylate","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C44 H32 F4 N4 O12 -","4","1","","Serebryannikova, Anna V.; Galenko, Ekaterina E.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","Synthesis of Isoxazole- and Oxazole-4-carboxylic Acids Derivatives by Controlled Isoxazole-Azirine-Isoxazole/Oxazole Isomerization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02536","","x-ray","1.54184","CuKα","","0.0414","0.0392","","","0.1017","0.1037","","","","","","1.083","","","","has coordinates","224735","2020-10-21","18:00:00",""
"4034705","13.389","0.0005","15.2225","0.0006","22.965","0.0008","81.3234","0.0012","80.0883","0.0013","70.721","0.0013","4329.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H57 Cl2 N5 O S Si2 -","- C42 H57 Cl2 N5 O S Si2 -","- C168 H228 Cl8 N20 O4 S4 Si8 -","4","2","","Zhao, Kexiang; Yu, Fei; Liu, Wenbo; Huang, Yinjuan; Said, Ahmed Ali; Li, Yang; Zhang, Qichun","Unexpected Synthesis, Properties, and Nonvolatile Memory Device Application of Imidazole-Fused Azaacenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02156","","","0.71073","MoKα","","0.1731","0.0729","","","0.1347","0.1752","","","","","","1.017","","","","has coordinates","225396","2020-10-21","18:00:00",""
"4034706","5.093","0.002","5.618","0.002","11.155","0.005","84.307","0.015","83.682","0.014","78.046","0.015","309.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H3 F2 N O3 -","- C5 H3 F2 N O3 -","- C10 H6 F4 N2 O6 -","2","1","","Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O.","Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02258","","","0.71073","MoKα","","0.0649","0.0432","","","0.1293","0.1517","","","","","","1.04","","","","has coordinates,has disorder","225397","2020-10-21","18:00:00",""
"4034707","17.197","0.003","6.3032","0.0012","14.879","0.003","90","","119.429","0.006","90","","1404.7","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F2 N O3 -","- C6 H5 F2 N O3 -","- C48 H40 F16 N8 O24 -","8","1","","Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O.","Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02258","","","0.71073","MoKα","","0.0485","0.0364","","","0.0867","0.0935","","","","","","1.025","","","","has coordinates","225398","2020-10-21","18:00:00",""
"4034708","7.914","0.004","10.509","0.005","9.039","0.005","90","","105.295","0.011","90","","725.1","0.6","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 F2 N2 O -","- C6 H8 F2 N2 O -","- C24 H32 F8 N8 O4 -","4","1","","Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O.","Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02258","","","0.71073","MoKα","","0.0825","0.0475","","","0.1168","0.14","","","","","","1.074","","","","has coordinates","225399","2020-10-21","18:00:00",""
"4034709","6.08424","0.00009","18.4274","0.0002","28.6542","0.0004","90","","93.835","0.0012","90","","3205.42","0.07","297.2","0.5","297.2","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N O5 -","- C43 H35 N O5 -","- C172 H140 N4 O20 -","4","1","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","1.54184","CuKα","","0.0814","0.0709","","","0.2067","0.2211","","","","","","1.046","","","","has coordinates","225400","2020-10-21","18:00:00",""
"4034710","24.706","0.01","8.715","0.002","4.1298","0.001","90","","93.86","0.03","90","","887.2","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","0.5","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","0.71073","MoKα","","0.1008","0.0928","","","0.2498","0.2722","","","","","","1.09","","","","has coordinates","225401","2020-10-21","18:00:00",""
"4034711","9.7838","0.0009","10.6982","0.0009","12.8472","0.001","79.071","0.007","79.762","0.007","88.94","0.007","1299.1","0.2","297.6","0.5","297.6","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O -","- C36 H25 N O -","- C72 H50 N2 O2 -","2","1","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","1.54184","CuKα","","0.111","0.0796","","","0.2072","0.2315","","","","","","1.051","","","","has coordinates,has disorder","225402","2020-10-21","18:00:00",""
"4034712","9.7491","0.0005","10.3104","0.0005","13.5196","0.0007","82.709","0.004","71.806","0.005","87.816","0.004","1280.57","0.12","291.16","0.1","291.16","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O2 -","- C36 H25 N O2 -","- C72 H50 N2 O4 -","2","1","","Li, Jian; Liu, Junjie; Yin, Jiangliang; Zhang, Yuming; Han, Weiguo; Lan, Jingbo; Wu, Di; Bin, Zhengyang; You, Jingsong","Double ortho-C-H Activation/Annulation of Benzamides with Aryl Alkynes: A Route to Double-Helical Polycyclic Heteroaromatics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02339","","x-ray","1.54184","CuKα","","0.0692","0.06","","","0.1617","0.1737","","","","","","1.047","","","","has coordinates","225403","2020-10-21","18:00:00",""
"4034713","6.0307","0.0001","16.4179","0.0004","22.933","0.0005","90","","90","","90","","2270.63","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Wan, Qian; Li, Shiwu; Kang, Qiang; Yuan, Yaofeng; Du, Yu","Chiral-at-Metal Rh(III) Complex Catalyzed Cascade Reduction-Michael Addition Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02243","","","1.54184","CuKα","","0.0469","0.0448","","","0.117","0.1194","","","","","","1.073","","","","has coordinates","225404","2020-10-21","18:00:00",""
"4035879","5.7871","0.0002","13.5493","0.0006","16.8357","0.0006","90","","90","","90","","1320.11","0.09","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br F3 N O3 -","- C11 H11 Br F3 N O3 -","- C44 H44 Br4 F12 N4 O12 -","4","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0829","0.0432","","","0.0916","0.1144","","","","","","0.896","","","","has coordinates","227287","2020-10-21","18:00:00",""
"4035880","8.7236","0.0005","11.9043","0.0004","8.7256","0.0004","90","","118.539","0.007","90","","796.04","0.08","200","1","200","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H15 Br F3 N O3 -","- C15 H15 Br F3 N O3 -","- C30 H30 Br2 F6 N2 O6 -","2","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0395","0.0336","","","0.0766","0.0835","","","","","","0.813","","","","has coordinates","227288","2020-10-21","18:00:00",""
"4035881","6.3688","0.0001","12.2935","0.0002","21.2458","0.0004","90","","90","","90","","1663.44","0.05","170","2","169.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.046","0.0423","","","0.1025","0.1062","","","","","","1.095","","","","has coordinates","227289","2020-10-21","18:00:00",""
"4035882","13.2915","0.0003","7.2927","0.0002","17.9828","0.0005","90","","106.01","0.001","90","","1675.48","0.08","170","2","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.0334","0.0315","","","0.0778","0.0794","","","","","","1.051","","","","has coordinates","227290","2020-10-21","18:00:00",""
"4035883","16.8548","0.0008","12.1664","0.0006","5.1458","0.0002","90","","90","","90","","1055.21","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0361","0.0339","","","0.0856","0.0871","","","","","","1.119","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035884","8.0534","0.0004","19.6802","0.001","7.3808","0.0004","90","","98.57","0.003","90","","1156.74","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br N O2 -","- C14 H8 Br N O2 -","- C56 H32 Br4 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0335","0.028","","","0.0667","0.0696","","","","","","1.092","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035885","20.0319","0.0011","5.2142","0.0003","12.3896","0.0007","90","","92.388","0.003","90","","1292.97","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0547","0.0416","","","0.0979","0.1064","","","","","","1.037","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035886","12.5941","0.0015","14.2233","0.0018","7.5547","0.0009","90","","104.868","0.003","90","","1308","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F N O2 -","- C18 H10 F N O2 -","- C72 H40 F4 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0808","0.0627","","","0.1722","0.1893","","","","","","1.055","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035887","24.8334","0.0013","5.7013","0.0003","7.5769","0.0004","90","","90","","90","","1072.76","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 F2 N O2 -","- C14 H7 F2 N O2 -","- C56 H28 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0322","0.0277","","","0.0632","0.0657","","","","","","1.029","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035888","7.4945","0.0009","29.594","0.004","5.8859","0.0007","90","","90","","90","","1305.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H9 F2 N O2 -","- C18 H9 F2 N O2 -","- C72 H36 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.035","0.0328","","","0.0861","0.0872","","","","","","1.129","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035889","15.8917","0.0006","12.4954","0.0004","10.8866","0.0003","90","","90","","90","","2161.79","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Br N O4 S -","- C25 H18 Br N O4 S -","- C100 H72 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0235","0.0211","","","0.052","0.0526","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035890","18.3082","0.0012","7.4274","0.0004","15.82","0.0011","90","","105.707","0.002","90","","2070.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F N2 O2 -","- C28 H17 F N2 O2 -","- C112 H68 F4 N8 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0633","0.0436","","","0.1143","0.1324","","","","","","1.078","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035891","22.6011","0.0014","22.6011","0.0014","16.3728","0.0012","90","","90","","90","","8363.4","1","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C448 H384 N32 -","16","1","","Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy","Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile.","The Journal of organic chemistry","2019","84","1","73","93","10.1021/acs.joc.8b02322","","","0.71073","MoKα","","0.0645","0.0489","","","0.124","0.1357","","","","","","1.03","","","","has coordinates","227292","2020-10-21","18:00:00",""
"4035892","7.5531","0.0003","14.3982","0.0006","13.9311","0.0006","90","","90.1024","0.0019","90","","1515.02","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N -","- C18 H19 Br N -","- C72 H76 Br4 N4 -","4","1","","Mallick, Sudesh; Maddala, Sudhakar; Kollimalayan, Kalidass; Venkatakrishnan, Parthasarathy","Oxidative Coupling of Carbazoles: A Substituent-Governed Regioselectivity Profile.","The Journal of organic chemistry","2019","84","1","73","93","10.1021/acs.joc.8b02322","","","0.71073","MoKα","","0.0469","0.0319","","","0.0791","0.0859","","","","","","1.045","","","","has coordinates","227293","2020-10-21","18:00:00",""
"4035893","15.4188","0.0003","5.0091","0.0001","20.2178","0.0003","90","","99.157","0.002","90","","1541.61","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 I2 N O S -","- C14 H11 I2 N O S -","- C56 H44 I8 N4 O4 S4 -","4","1","","Ma, Yan-Na; Bian, Yajing; Liu, Xin; Zhang, Jie; Chen, Xuenian","One-Pot Synthesis of Iodo-Dibenzothiazines from 2-Biaryl Sulfides.","The Journal of organic chemistry","2019","84","1","450","457","10.1021/acs.joc.8b02729","","x-ray","1.54184","CuKα","","0.0765","0.0598","","","0.1587","0.1688","","","","","","1.054","","","","has coordinates","227294","2020-10-21","18:00:00",""
"4035894","5.0756","0.0001","16.2147","0.0003","15.4288","0.0002","90","","96.518","0.002","90","","1261.57","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 I N O S -","- C13 H10 I N O S -","- C52 H40 I4 N4 O4 S4 -","4","1","","Ma, Yan-Na; Bian, Yajing; Liu, Xin; Zhang, Jie; Chen, Xuenian","One-Pot Synthesis of Iodo-Dibenzothiazines from 2-Biaryl Sulfides.","The Journal of organic chemistry","2019","84","1","450","457","10.1021/acs.joc.8b02729","","x-ray","1.54184","CuKα","","0.0455","0.0422","","","0.1214","0.1252","","","","","","1.077","","","","has coordinates","227295","2020-10-21","18:00:00",""
"4035895","11.0122","0.0002","12.6075","0.0002","20.4557","0.0003","75.1","0.001","81.569","0.001","64.963","0.001","2484.3","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O8 -","- C30 H26 O8 -","- C120 H104 O32 -","4","2","","Dam, Jean; Bode, Moira L.; de Koning, Charles B.","Ceric Ammonium Sulfate (CAS) Mediated Oxidations of Benzophenones Possessing a Phenolic Substituent for the Synthesis of Xanthones and Related Products.","The Journal of organic chemistry","2019","84","1","150","160","10.1021/acs.joc.8b02503","","","0.71073","MoKα","","0.0658","0.039","","","0.0999","0.1128","","","","","","1.061","","","","has coordinates","227296","2020-10-21","18:00:00",""
"4035896","7.0221","0.001","19.019","0.003","19.187","0.003","90","","90","","90","","2562.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.71073","MoKα","","0.1453","0.0629","","","0.1278","0.1658","","","","","","1.031","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035897","6.1027","0.0005","8.5357","0.0009","10.175","0.0011","112.463","0.01","95.209","0.009","99.616","0.008","475.92","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C18 H14 Cl2 N4 O4 -","2","1","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.7107","MoKα","","0.0636","0.0423","","","0.1003","0.1128","","","","","","1.026","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035898","13.5965","0.0005","10.4773","0.0004","8.6767","0.0004","90","","90","","90","","1236.04","0.09","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C56 H68 Cl4 N8 -","4","0.5","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.038","0.0347","","","0.085","0.0882","","","","","","1.127","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035899","11.2159","0.0003","12.4494","0.0004","12.6863","0.0005","71.2729","0.0009","77.0254","0.001","69.4681","0.0009","1558.5","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C76 H76 Cl4 N8 -","4","2","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","","0.71075","MoKα","","0.0482","0.0445","","","0.1297","0.1334","","","","","","1.153","","","","has coordinates","227298","2020-10-21","18:00:00",""
"4035900","14.0029","0.0003","13.7401","0.0003","14.1052","0.0003","90","","90","","90","","2713.86","0.1","98","","98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","RM4010","","- C14 H16 Ag Cl N2 -","- C14 H16 Ag Cl N2 -","- C112 H128 Ag8 Cl8 N16 -","8","1","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","x-ray","0.71075","MoKα","","0.0439","0.0413","","","0.1067","0.1078","","","","","","1.276","","","","has coordinates","275143","2022-05-06","20:26:43",""
"4035901","68.03","0.09","22.65","0.03","10.235","0.006","90","","90","","90","","15771","3","150","2","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C53 H38 N2 O S -","- C53 H38 N2 O S -","- C848 H608 N32 O16 S16 -","16","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of Unsymmetrical Heterobenzisapphyrins.","The Journal of organic chemistry","2019","84","1","417","422","10.1021/acs.joc.8b02616","","x-ray","0.71073","MoKα","","0.159","0.105","","","0.2398","0.2863","","","","","","1.028","","","","has coordinates","227301","2020-10-21","18:00:00",""
"4035902","5.6856","0.0001","15.7385","0.0003","29.0307","0.0005","90","","94.9272","0.0009","90","","2588.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","1","","Aboussafy, Claude Larrivée; Andersen Gersby, Lotte Bettina; Molinaro, Antonio; Newman, Mari-Anne; Lowary, Todd L.","A Convergent Route to Enantiomers of the Bicyclic Monosaccharide Bradyrhizose Leads to Insight into the Bioactivity of an Immunologically Silent Lipopolysaccharide.","The Journal of organic chemistry","2019","84","1","14","41","10.1021/acs.joc.8b02206","","","1.54178","CuKα","","0.0543","0.0521","","","0.1269","0.1283","","","","","","1.101","","","","has coordinates","227302","2020-10-21","18:00:00",""
"4035903","6.0738","0.0005","31.982","0.002","10.2483","0.0008","90","","102.879","0.005","90","","1940.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Aboussafy, Claude Larrivée; Andersen Gersby, Lotte Bettina; Molinaro, Antonio; Newman, Mari-Anne; Lowary, Todd L.","A Convergent Route to Enantiomers of the Bicyclic Monosaccharide Bradyrhizose Leads to Insight into the Bioactivity of an Immunologically Silent Lipopolysaccharide.","The Journal of organic chemistry","2019","84","1","14","41","10.1021/acs.joc.8b02206","","","1.54178","CuKα","","0.096","0.0682","","","0.1884","0.2117","","","","","","0.987","","","","has coordinates","227303","2020-10-21","18:00:00",""
"4035904","10.01","0.003","17.046","0.003","23.122","0.004","90.035","0.004","95.751","0.004","104.451","0.004","3799.9","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H37.75 Cl9 F20 N8 O9.38 Os2 Zn -","- C69 H37.74 Cl9 F20 N8 O9.37 Os2 Zn -","- C138 H75.48 Cl18 F40 N16 O18.74 Os4 Zn2 -","2","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.0887","0.0659","","","0.1603","0.1691","","","","","","1.057","","","","has coordinates,has disorder","227304","2020-10-21","18:00:00",""
"4035905","12.6745","0.0006","12.0132","0.0005","26.3857","0.0011","90","","99.5245","0.0017","90","","3962.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H8 Cl2 F20 N4 O4 -","- C43 H8 Cl2 F20 N4 O4 -","- C172 H32 Cl8 F80 N16 O16 -","4","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.0666","0.0615","","","0.1374","0.1398","","","","","","1.187","","","","has coordinates,has disorder","227305","2020-10-21","18:00:00",""
"4035906","22.412","0.004","21.631","0.004","30.193","0.005","90","","90","","90","","14637","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C568 H352 Cl48 F160 N64 O64 Os16 -","8","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1639","0.0971","","","0.2096","0.2435","","","","","","1.07","","","","has coordinates","227306","2020-10-21","18:00:00",""
"4035907","13.336","0.019","15.94","0.02","16.02","0.02","63.58","0.03","87.24","0.03","88.56","0.03","3046","7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H26 Cl3 F20 N6 O6 Os -","- C57 H26 Cl3 F20 N6 O6 Os -","- C114 H52 Cl6 F40 N12 O12 Os2 -","2","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.231","0.1458","","","0.3733","0.4484","","","","","","1.057","","","","has coordinates,has disorder","227307","2020-10-21","18:00:00",""
"4035908","28.859","0.002","49.537","0.003","12.0811","0.0007","90","","90","","90","","17271","1.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45.59 H13.97 Cl2.41 F20 N4 O4 -","- C45.588 H13.97 Cl2.412 F20 N4 O4 -","- C729.408 H223.52 Cl38.592 F320 N64 O64 -","16","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.086","0.0691","","","0.181","0.1974","","","","","","1.066","","","","has coordinates,has disorder","227308","2020-10-21","18:00:00",""
"4035909","13.33","0.004","16.128","0.005","16.174","0.005","115.91","0.004","90.019","0.005","92.124","0.005","3125","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H59 Cl15 F40 N12 O8 Os2 -","- C119 H59 Cl15 F40 N12 O8 Os2 -","- C119 H59 Cl15 F40 N12 O8 Os2 -","1","0.5","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1234","0.0992","","","0.2531","0.2812","","","","","","1.036","","","","has coordinates,has disorder","227309","2020-10-21","18:00:00",""
"4035910","7.3869","0.0004","7.8823","0.0005","16.1317","0.0009","90","","96.726","0.005","90","","932.82","0.09","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl F2 N3 O2 -","- C19 H20 Cl F2 N3 O2 -","- C38 H40 Cl2 F4 N6 O4 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.0812","0.0557","","","0.0932","0.1188","","","","","","1.055","","","","has coordinates","227310","2020-10-21","18:00:00",""
"4035911","7.00151","0.00015","9.9401","0.0003","29.1848","0.0008","90","","90","","90","","2031.14","0.09","293.19","0.1","293.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 O3 -","- C23 H22 F N3 O3 -","- C92 H88 F4 N12 O12 -","4","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","x-ray","1.54184","CuKα","","0.0395","0.0354","","","0.0873","0.0911","","","","","","1.044","","","","has coordinates","227311","2020-10-21","18:00:00",""
"4035912","6.9619","0.0014","9.2892","0.0019","15.045","0.004","93.627","0.018","99.834","0.018","93.558","0.016","954.1","0.4","291.93","0.1","291.93","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O3 -","- C22 H19 F N2 O3 -","- C44 H38 F2 N4 O6 -","2","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","","0.71073","MoKα","","0.1196","0.061","","","0.1192","0.1625","","","","","","1.035","","","","has coordinates","227312","2020-10-21","18:00:00",""
"4035913","7.4505","0.0006","11.269","0.0009","31.662","0.002","90","","90","","90","","2658.3","0.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","1","","An, Hejun; Mai, Shaoyu; Xuan, Qingqing; Zhou, Yao; Song, Qiuling","Gold-Catalyzed Radical-Involved Intramolecular Cyclization of Internal N-Propargylamides for the Construction of 5-Oxazole Ketones.","The Journal of organic chemistry","2019","84","1","401","408","10.1021/acs.joc.8b02334","","x-ray","0.71073","MoKα","","0.0846","0.0586","","","0.1342","0.169","","","","","","0.9801","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035914","19.469","0.01","9.394","0.005","20.403","0.011","90","","92.166","0.009","90","","3729","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N -","- C25 H16 F3 N -","- C200 H128 F24 N8 -","8","2","","Zhang, Tao; Chen, Fan; Zhang, Xiao-Hong; Qian, Peng-Cheng; Zhang, Xing-Guo","Palladium-Catalyzed Tandem Carbocyclization and Hetroarylation for the Synthesis of 2-(Trifluoromethyl)indenylmethyleneindoles.","The Journal of organic chemistry","2019","84","1","307","313","10.1021/acs.joc.8b02781","","","0.71073","MoKα","","0.0717","0.0503","","","0.1599","0.1863","","","","","","1.085","","","","has coordinates","227314","2020-10-21","18:00:00",""
"4035915","6.4521","0.0004","10.1091","0.0006","21.6537","0.0012","90","","90","","90","","1412.36","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0311","0.0289","","","0.0701","0.0714","","","","","","1.058","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035916","8.8548","0.0005","10.0501","0.0006","20.0035","0.0012","90","","101.423","0.002","90","","1744.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F O3 S -","- C22 H17 F O3 S -","- C88 H68 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0355","0.0308","","","0.0781","0.0811","","","","","","1.034","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035917","7.0055","0.0013","10.701","0.002","13.367","0.003","71.146","0.007","75.076","0.006","85.59","0.007","916.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C46 H40 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0782","0.05","","","0.1189","0.1321","","","","","","1.028","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035918","12.756","0.004","8.772","0.003","19.326","0.006","90","","106.925","0.013","90","","2068.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O5 S -","- C25 H24 O5 S -","- C100 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0579","0.0438","","","0.1056","0.1156","","","","","","1.025","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035919","8.524","0.0016","10.785","0.002","12.112","0.002","110.385","0.006","97.83","0.006","98.906","0.006","1009.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 O3 S -","- C27 H22 O3 S -","- C54 H44 O6 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0854","0.0528","","","0.1341","0.1489","","","","","","1.085","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035920","8.5464","0.0003","9.709","0.0004","11.3017","0.0004","66.561","0.004","85.785","0.003","69.576","0.003","803.98","0.06","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Jing, Kun; Wang, Xiang-Nan; Wang, Guan-Wu","Diastereoselective Synthesis of Oxazoloisoindolinones via Cascade Pd-Catalyzed ortho-Acylation of N-Benzoyl α-Amino Acid Derivatives and Subsequent Double Intramolecular Cyclizations.","The Journal of organic chemistry","2019","84","1","161","172","10.1021/acs.joc.8b02509","","","1.54184","CuKα","","0.0592","0.0559","","","0.1474","0.1506","","","","","","1.056","","","","has coordinates,has disorder","227316","2020-10-21","18:00:00",""
"4035921","13.3398","0.0001","9.9841","0.0001","25.3045","0.0002","90","","96.555","0.001","90","","3348.17","0.05","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Jing, Kun; Wang, Xiang-Nan; Wang, Guan-Wu","Diastereoselective Synthesis of Oxazoloisoindolinones via Cascade Pd-Catalyzed ortho-Acylation of N-Benzoyl α-Amino Acid Derivatives and Subsequent Double Intramolecular Cyclizations.","The Journal of organic chemistry","2019","84","1","161","172","10.1021/acs.joc.8b02509","","","1.54184","CuKα","","0.0455","0.0447","","","0.1173","0.118","","","","","","1.079","","","","has coordinates","227317","2020-10-21","18:00:00",""
"4035922","48.0321","0.0015","10.6191","0.0002","14.3112","0.0005","90","","98.054","0.003","90","","7227.5","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H98 N4 O6 S4 Si4 -","- C58 H98 N4 O6 S4 Si4 -","- C232 H392 N16 O24 S16 Si16 -","4","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.066","0.0401","","","0.0984","0.1077","","","","","","0.969","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035923","7.368","0.002","19.751","0.006","19.406","0.006","90","","98.02","0.009","90","","2796.4","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","1","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1783","0.1178","","","0.3015","0.3472","","","","","","1.027","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035924","10.3012","0.0007","11.484","0.0009","12.611","0.0009","81.906","0.006","72.145","0.006","68.197","0.006","1317.82","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O4 S2 -","- C26 H32 N4 O4 S2 -","- C52 H64 N8 O8 S4 -","2","1","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1052","0.0528","","","0.1139","0.1356","","","","","","1.017","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035925","16.173","0.008","6.265","0.003","16.682","0.008","90","","102.457","0.009","90","","1650.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N4 O6 S4 -","- C34 H36 N4 O6 S4 -","- C68 H72 N8 O12 S8 -","2","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.1522","0.0768","","","0.1453","0.1724","","","","","","0.998","","","","has coordinates,has disorder","227318","2020-10-21","18:00:00",""
"4035926","7.9063","0.0009","8.9584","0.0007","7.9434","0.001","90","","99.907","0.009","90","","554.22","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","","Kolanji, Kubandiran; Postulka, Lars; Wolf, Bernd; Lang, Michael; Schollmeyer, Dieter; Baumgarten, Martin","Planar Benzo[1,2- b:4,5- b']dithiophene Derivatives Decorated with Nitronyl and Imino Nitroxides.","The Journal of organic chemistry","2019","84","1","140","149","10.1021/acs.joc.8b02499","","","0.71073","MoKα","","0.0313","0.0286","","","0.0768","0.0788","","","","","","1.049","","","","has coordinates","227319","2020-10-21","18:00:00",""
"4035927","10.21201","0.00018","8.56525","0.00017","13.5471","0.0003","90","","93.5862","0.0017","90","","1182.62","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N3 O5 S -","- C25 H20 F3 N3 O5 S -","- C50 H40 F6 N6 O10 S2 -","2","1","","Wang, Cong; Li, Nan; Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Asymmetric Michael Addition of 2-Acetyl Azaarenes to β-CF<sub>3</sub>-β-(3-indolyl)nitroalkenes Catalyzed by a Cobalt(II)/(imidazoline-oxazoline) Complex.","The Journal of organic chemistry","2019","84","1","191","203","10.1021/acs.joc.8b02601","","x-ray","1.54184","CuKα","","0.0368","0.0351","","","0.0917","0.0941","","","","","","1.059","","","","has coordinates","227320","2020-10-21","18:00:00",""
"4035928","13.6805","0.0016","9.6013","0.0011","18.12","0.002","90","","107.042","0.003","90","","2275.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Br2 Cl2 O2 -","- C25 H16 Br2 Cl2 O2 -","- C100 H64 Br8 Cl8 O8 -","4","1","","Chai, Guo-Li; Zhu, Bo; Chang, Junbiao","Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in Catalytic Asymmetric Allylboration of Ketones.","The Journal of organic chemistry","2019","84","1","120","127","10.1021/acs.joc.8b02475","","","0.71073","MoKα","","0.1015","0.0549","","","0.1283","0.1488","","","","","","1.039","","","","has coordinates","227321","2020-10-21","18:00:00",""
"4035929","22.832","0.008","13.024","0.005","20.26","0.008","90","","104.866","0.007","90","","5823","4","293","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Br2 O2 -","- C24 H12 Br2 O2 -","- C288 H144 Br24 O24 -","12","1.5","","Chai, Guo-Li; Zhu, Bo; Chang, Junbiao","Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in Catalytic Asymmetric Allylboration of Ketones.","The Journal of organic chemistry","2019","84","1","120","127","10.1021/acs.joc.8b02475","","","0.71073","MoKα","","0.1995","0.061","","","0.1031","0.1378","","","","","","0.957","","","","has coordinates","227322","2020-10-21","18:00:00",""
"4035930","6.1289","0.0001","9.1873","0.0002","18.5609","0.0003","90","","97.518","0.001","90","","1036.14","0.03","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O8 -","- C22 H30 O8 -","- C44 H60 O16 -","2","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0474","0.0403","","","0.0939","0.0979","","","","","","1.055","","","","has coordinates","227323","2020-10-21","18:00:00",""
"4035931","33.1345","0.0005","5.7877","0.0001","10.7579","0.0002","90","","92.181","0.001","90","","2061.58","0.06","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Kim, Dae-Shik; Fang, Francis G.; Choi, Hyeong-Wook; Fang, Hui","Synthesis of a Polycyclic Halichondrin C1-C14 Fragment via Intermolecular Oxy-Michael/ Trans-Ketalization.","The Journal of organic chemistry","2019","84","8","4898","4903","10.1021/acs.joc.8b02404","","","1.54178","CuKα","","0.0416","0.0367","","","0.0909","0.0945","","","","","","1.029","","","","has coordinates","227324","2020-10-21","18:00:00",""
"4035932","6.4833","0.0002","18.1783","0.0006","13.2669","0.0004","90","","101.976","0.001","90","","1529.54","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl6 O2 Sb -","- C9 H9 Cl6 O2 Sb -","- C36 H36 Cl24 O8 Sb4 -","4","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.017","0.0165","","","0.0371","0.0373","","","","","","1.242","","","","has coordinates","227325","2020-10-21","18:00:00",""
"4035933","9.8238","0.0009","19.393","0.0017","9.8685","0.0009","90","","94.8734","0.0012","90","","1873.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl6 N O3 Sb -","- C11 H14 Cl6 N O3 Sb -","- C44 H56 Cl24 N4 O12 Sb4 -","4","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0186","0.0175","","","0.0418","0.0424","","","","","","1.13","","","","has coordinates","227326","2020-10-21","18:00:00",""
"4035934","13.4466","0.0003","9.1948","0.0002","17.3481","0.0004","90","","90","","90","","2144.9","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0406","0.0319","","","0.0783","0.0842","","","","","","1.025","","","","has coordinates","227327","2020-10-21","18:00:00",""
"4035935","18.3837","0.0006","7.0496","0.0002","24.2591","0.0007","90","","93.266","0.001","90","","3138.82","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl6 O2 Sb -","- C9 H9 Cl6 O2 Sb -","- C72 H72 Cl48 O16 Sb8 -","8","2","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0456","0.0284","","","0.0551","0.0604","","","","","","1.035","","","","has coordinates","227328","2020-10-21","18:00:00",""
"4035936","5.81","0.003","10.115","0.006","25.579","0.014","90","","90","","90","","1503.2","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Br F O5 -","- C13 H19 Br F O5 -","- C52 H76 Br4 F4 O20 -","4","1","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.119","0.0475","","","0.0585","0.0694","","","","","","0.783","","","","has coordinates","227329","2020-10-21","18:00:00",""
"4035937","17.659","0.0015","17.659","0.0015","14.3682","0.0012","90","","90","","90","","4480.6","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C9 H10 Br F N2 O5 -","- C9 H10 Br F N2 O5 -","- C144 H160 Br16 F16 N32 O80 -","16","2","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.0199","0.0179","","","0.0439","0.0443","","","","","","1.021","","","","has coordinates","264242","2021-04-16","08:49:21",""
"4035938","8.846","0.0006","10.5118","0.0007","20.6078","0.0014","90","","90","","90","","1916.3","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-3-((triisopropylsilyl)ethynyl)dihydro-furan-2(3H)-one","","- C17 H30 O4 Si -","- C17 H30 O4 Si -","- C68 H120 O16 Si4 -","4","1","","Zhong, Yong-Li; Cleator, Ed; Liu, Zhijian; Yin, Jianguo; Morris, William J.; Alam, Mahbub; Bishop, Brian; Dumas, Aaron M.; Edwards, John; Goodyear, Adrian; Mullens, Peter; Song, Zhiguo Jake; Shevlin, Michael; Thaisrivongs, David A.; Li, Hongming; Sherer, Edward C.; Cohen, Ryan D.; Yin, Jingjun; Tan, Lushi; Yasuda, Nobuyoshi; Limanto, John; Davies, Antony; Campos, Kevin R.","Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor.","The Journal of organic chemistry","2019","84","8","4780","4795","10.1021/acs.joc.8b02500","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0554","0.0555","","","","","","1.042","","","","has coordinates","227331","2020-10-21","18:00:00",""
"4035939","42.959","0.006","12.0548","0.0017","8.2298","0.0016","90","","90.61","0.006","90","","4261.7","1.2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20.5 H18 F4 N5 O2 S -","- C20.5 H18 F4 N5 O2 S -","- C164 H144 F32 N40 O16 S8 -","8","2","","Oguma, Takuya; Anan, Kosuke; Suzuki, Shinji; Hisakawa, Shinya; Takada, Akihiro; Ogawa, Masayoshi; Kusakabe, Ken-Ichi","Synthesis of a 6-CF<sub>3</sub>-Substituted 2-Amino-dihydro-1,3-thiazine β-Secretase Inhibitor by N, N-Diethylaminosulfur Trifluoride-Mediated Chemoselective Cyclization.","The Journal of organic chemistry","2019","84","8","4893","4897","10.1021/acs.joc.8b02179","","","1.54187","CuKα","","0.064","0.0627","","","0.1703","0.1709","","","","","","1.079","","","","has coordinates","227332","2020-10-21","18:00:00",""
"4035940","9.0177","0.0007","10.4022","0.0009","10.8349","0.0009","97.211","0.003","95.918","0.002","96.014","0.003","995.78","0.14","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N4 O4 S2 -","- C48 H48 N4 O4 S2 -","- C48 H48 N4 O4 S2 -","1","0.5","","Chauhan, Navya; Pradhan, Sajan; Ghorai, Manas K.","Stereospecific Synthesis of Highly Substituted Piperazines via an One-Pot Three Component Ring-Opening Cyclization from N-Activated Aziridines, Anilines, and Propargyl Carbonates.","The Journal of organic chemistry","2019","84","4","1757","1765","10.1021/acs.joc.8b02259","","","0.71073","MoKα","","0.0705","0.0456","","","0.1216","0.151","","","","","","1.164","","","","has coordinates","227333","2020-10-21","18:00:00",""
"4035941","5.1381","0.0009","10.587","0.002","13.334","0.002","104.09","0.015","92.295","0.014","103.6","0.016","680.1","0.2","100","10","100","10","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N3 O2 -","- C15 H12 F3 N3 O2 -","- C30 H24 F6 N6 O4 -","2","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0888","0.0674","","","0.1774","0.1961","","","","","","1.021","","","","has coordinates","227334","2020-10-21","18:00:00",""
"4035942","13.2944","0.0006","9.4754","0.0004","13.8198","0.0006","90","","90.284","0.004","90","","1740.86","0.13","100","10","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O5 S -","- C17 H19 N3 O5 S -","- C68 H76 N12 O20 S4 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0412","0.0373","","","0.0909","0.0935","","","","","","1.056","","","","has coordinates","227335","2020-10-21","18:00:00",""
"4035943","5.0629","0.0001","12.817","0.0002","19.6202","0.0003","90","","96.844","0.001","90","","1264.11","0.04","100","10","100","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0374","0.0362","","","0.0996","0.1006","","","","","","1.05","","","","has coordinates","227336","2020-10-21","18:00:00",""
"4035944","5.069","0.0002","26.9119","0.0012","9.2857","0.0004","90","","102.161","0.005","90","","1238.3","0.09","100","10","100","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0476","0.0441","","","0.1164","0.12","","","","","","1.072","","","","has coordinates","227337","2020-10-21","18:00:00",""
"4035945","9.1912","0.0003","11.3929","0.0005","13.7464","0.0006","90","","90","","90","","1439.45","0.1","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0422","0.0412","","","0.1078","0.1089","","","","","","1.039","","","","has coordinates","227338","2020-10-21","18:00:00",""
"4035946","10.1629","0.0005","14.3553","0.0006","20.1376","0.001","90","","90","","90","","2937.9","0.2","299.12","0.1","299.12","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C128 H112 F24 N24 O16 -","8","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0466","0.0383","","","0.0898","0.0949","","","","","","1.024","","","","has coordinates","227339","2020-10-21","18:00:00",""
"4035947","8.6477","0.0004","16.423","0.0006","11.6919","0.0005","90","","104.122","0.004","90","","1610.31","0.12","110","1","110","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Khelifi, Ilhem; Zhao, Guangkuan; Ghermani, Nour-Eddine; Provot, Olivier; Alami, Mouad","Unexpected Oxidative Ring Opening of Electron-Rich 3-Aminobenzofurans into α-Ketoimines Derivatives.","The Journal of organic chemistry","2019","84","4","1725","1733","10.1021/acs.joc.8b01685","","x-ray","0.71073","MoKα","","0.0616","0.0454","","","0.1107","0.1231","","","","","","1.054","","","","has coordinates","227340","2020-10-21","18:00:00",""
"4035948","21.244","0.003","19.83","0.003","14.957","0.002","90","","90","","90","","6300.9","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Lu2@C2v-C82 NHC","Lu2@C3v-C82 NHC","","- C106 H24 Lu2 N2 S6 -","- C106 H24 Lu1.9978 N2 S6 -","- C424 H96 Lu7.9912 N8 S24 -","4","0.5","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1712","0.1581","","","0.372","0.381","","","","","","1.088","","","","has coordinates,has disorder","227341","2020-10-21","18:00:00",""
"4035949","20.132","0.005","20.735","0.005","14.696","0.005","90","0.005","90.598","0.005","90","0.005","6134","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me-NHC","Me-NHC","","- C107 H38 Lu3 N3 S0 -","- C107 H38 Lu3 N3 -","- C428 H152 Lu12 N12 -","4","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71069","MoKα","","0.1017","0.0631","","","0.1429","0.1705","","","","","","1.019","","","","has coordinates,has disorder","227342","2020-10-21","18:00:00",""
"4035950","26.199","0.007","11.22","0.003","20.553","0.005","90","","107.986","0.007","90","","5746","3","170","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lu2@C2v-C82 NHC","Lu2@C2v-C82 NHC","","- C419 H96 Lu8 N8 S13 -","- C419 H96 Lu7.9976 N8 S13 -","- C419 H96 Lu7.9976 N8 S13 -","1","0.125","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.1441","0.1301","","","0.293","0.3021","","","","","","1.115","","","","has coordinates,has disorder","227343","2020-10-21","18:00:00",""
"4035951","25.423","0.003","15.6051","0.0015","28.953","0.003","90","","90","","90","","11486","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Me+O-NHC","Me+O-NHC","","- C102 H24 Lu3 N3 O S2 -","- C102 H24 Lu2.9999 N3 O S2 -","- C816 H192 Lu23.9992 N24 O8 S16 -","8","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.0916","0.0789","","","0.1647","0.1716","","","","","","1.151","","","","has coordinates,has disorder","227344","2020-10-21","18:00:00",""
"4035952","5.6641","0.0001","8.0176","0.0002","19.4004","0.0004","90","","94.876","0.002","90","","877.83","0.03","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O4 -","- C20 H19 Br O4 -","- C40 H38 Br2 O8 -","2","1","","Hoffmeyer, Patrick; Schneider, Christoph","Stereoselective Synthesis of 2,3,5-Trisubstituted Tetrahydrofurans Initiated by a Titanium-BINOLate-Catalyzed Vinylogous Aldol Reaction.","The Journal of organic chemistry","2019","84","2","1079","1084","10.1021/acs.joc.8b02828","","","0.71073","MoKα","","0.033","0.0264","","","0.054","0.0566","","","","","","1.03","","","","has coordinates,has disorder","227345","2020-10-21","18:00:00",""
"4035953","16.2996","0.0009","9.0953","0.0005","13.4799","0.0006","90","","101.291","0.002","90","","1959.71","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 O P -","- C28 H17 O P -","- C112 H68 O4 P4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","","0.71073","MoKα","","0.129","0.0602","","","0.1297","0.1584","","","","","","1.01","","","","has coordinates","227346","2020-10-21","18:00:00",""
"4035954","9.3936","0.0008","11.2389","0.0011","11.6385","0.0011","114.26","0.004","97.195","0.004","92.441","0.004","1105.37","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C57 H40 Cl2 O4 P2 -","- C57 H40 Cl2 O4 P2 -","- C57 H40 Cl2 O4 P2 -","1","0.5","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0748","0.0544","","","0.1307","0.1422","","","","","","1.075","","","","has coordinates","227347","2020-10-21","18:00:00",""
"4035955","9.0297","0.0003","10.1542","0.0003","19.3621","0.0006","90","","90","","90","","1775.3","0.1","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Si -","- C24 H18 Si -","- C96 H72 Si4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0812","0.083","","","","","","1.047","","","","has coordinates","227348","2020-10-21","18:00:00",""
"4035956","12.9334","0.0013","11.7951","0.0012","10.7132","0.0011","90","","100.176","0.002","90","","1608.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F4 N -","- C18 H18 B F4 N -","- C72 H72 B4 F16 N4 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1421","0.0492","","","0.0922","0.1182","","","","","","0.942","","","","has coordinates","227349","2020-10-21","18:00:00",""
"4035957","9.1735","0.0014","13.378","0.002","19.632","0.003","80.22","0.003","89.344","0.003","77.052","0.003","2313","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O7 -","- C22 H19 N5 O7 -","- C88 H76 N20 O28 -","4","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1779","0.0811","","","0.1711","0.1922","","","","","","1.017","","","","has coordinates","227350","2020-10-21","18:00:00",""
"4035958","10.2319","0.0013","10.7218","0.0014","13.463","0.002","90","","100.27","0.004","90","","1453.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 B F4 N2 -","- C15 H17 B F4 N2 -","- C60 H68 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1113","0.0589","","","0.1109","0.1396","","","","","","1.029","","","","has coordinates","227351","2020-10-21","18:00:00",""
"4035959","6.3354","0.0003","19.0291","0.0009","17.215","0.0008","90","","90.203","0.001","90","","2075.38","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B F4 N2 -","- C23 H25 B F4 N2 -","- C92 H100 B4 F16 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.0782","0.0465","","","0.0945","0.1128","","","","","","1.028","","","","has coordinates","227352","2020-10-21","18:00:00",""
"4035960","7.8332","0.0015","11.886","0.002","11.962","0.002","99.791","0.004","97.172","0.004","107.373","0.004","1029","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 B F4 N3 O2 -","- C22 H22 B F4 N3 O2 -","- C44 H44 B2 F8 N6 O4 -","2","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1487","0.0757","","","0.1432","0.1759","","","","","","1.029","","","","has coordinates","227353","2020-10-21","18:00:00",""
"4035961","25.511","0.006","25.511","0.006","8.04","0.002","90","","90","","90","","5233","2","120","2","120","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C256 H256 N32 -","16","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filatova, Ekaterina A.; Dyablo, Olga V.; Pogosova, Olga G.; Borodkin, Gennady S.; Filarowski, Aleksander; Steglenko, Dmitriy V.","Neutral Pyrrole Nitrogen Atom as a π- and Mixed n,π-Donor in Hydrogen Bonding.","The Journal of organic chemistry","2019","84","2","726","737","10.1021/acs.joc.8b02562","","","0.71073","MoKα","","0.1274","0.0523","","","0.0988","0.124","","","","","","0.97","","","","has coordinates","227354","2020-10-21","18:00:00",""
"4035962","5.75922","0.00014","24.0052","0.0005","10.1828","0.0002","90","","104.555","0.002","90","","1362.6","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H39 N2 O6 P S -","- C24 H39 N2 O6 P S -","- C48 H78 N4 O12 P2 S2 -","2","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.0902","0.0931","","","","","","1.066","","","","has coordinates,has disorder","227355","2020-10-21","18:00:00",""
"4035963","27.2663","0.0002","27.2663","0.0002","12.3982","0.0002","90","","90","","90","","9217.46","0.18","150","0.1","150","0.1","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C22 H26 F N2 O4 P -","- C22 H26 F N2 O4 P -","- C352 H416 F16 N32 O64 P16 -","16","1","","Maestro, Aitor; Martinez de Marigorta, Edorta; Palacios, Francisco; Vicario, Javier","Enantioselective α-Aminophosphonate Functionalization of Indole Ring through an Organocatalyzed Friedel-Crafts Reaction.","The Journal of organic chemistry","2019","84","2","1094","1102","10.1021/acs.joc.8b02843","","x-ray","1.54184","CuKα","","0.0525","0.0484","","","0.1356","0.1396","","","","","","1.065","","","","has coordinates,has disorder","227356","2020-10-21","18:00:00",""
"4035964","29.6415","0.0005","8.72785","0.00014","18.2127","0.0003","90","","90.6805","0.0014","90","","4711.41","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 F3 N2 O2 -","- C28 H23 F3 N2 O2 -","- C224 H184 F24 N16 O16 -","8","1","","Wang, Qijun; Wang, Bo; Deng, Hao; Shangguan, Yu; Lin, Yan; Zhang, Yaqi; Zhang, Zheming; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Silver-Catalyzed Three-Component Difunctionalization of Alkenes via Radical Pathways: Access to CF<sub>3</sub>-Functionalized Alkyl-Substituted 1,4-Naphthoquinone Derivatives.","The Journal of organic chemistry","2019","84","2","1006","1014","10.1021/acs.joc.8b02997","","x-ray","1.54184","CuKα","","0.0579","0.0536","","","0.147","0.154","","","","","","1.034","","","","has coordinates","227357","2020-10-21","18:00:00",""
"4035965","8.623","0.0012","9.5904","0.0012","12.8096","0.0016","102.175","0.01","92.846","0.011","98.99","0.011","1019","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 F N O3 -","- C25 H20 F N O3 -","- C50 H40 F2 N2 O6 -","2","1","","Li, De-Feng; Gu, Yan; Zhang, Jing-Ru; Liu, Kun; Zhao, Li-Ming","Diastereoselective Construction of Spiro-furo[3,2- c]benzopyranoxindoles through a Cu(OTf)<sub>2</sub>/AcOH Cooperative Promoted Bicyclization Reaction.","The Journal of organic chemistry","2019","84","2","879","887","10.1021/acs.joc.8b02762","","x-ray","0.71073","MoKα","","0.1449","0.0656","","","0.1439","0.1982","","","","","","0.917","","","","has coordinates","227358","2020-10-21","18:00:00",""
"4035966","18.795","0.004","6.7049","0.0008","43.048","0.008","90","","101.359","0.018","90","","5318.6","1.7","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H27 N3 O6 S -","- C27 H27 N3 O6 S -","- C216 H216 N24 O48 S8 -","8","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2989","0.1039","","","0.1348","0.1971","","","","","","1.013","","","","has coordinates","227359","2020-10-21","18:00:00",""
"4035967","7.1605","0.0012","11.4577","0.0014","22.362","0.002","96.348","0.009","99.163","0.011","108.189","0.012","1695.4","0.4","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N2 O3 -","- C18 H14 Cl2 N2 O3 -","- C72 H56 Cl8 N8 O12 -","4","2","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2402","0.081","","","0.2017","0.276","","","","","","0.986","","","","has coordinates","227360","2020-10-21","18:00:00",""
"4035968","12.674","0.003","7.0239","0.0014","18.455","0.004","90","","108.04","0.02","90","","1562.1","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2238","0.1689","","","0.455","0.4844","","","","","","1.576","","","","has coordinates","227361","2020-10-21","18:00:00",""
"4035969","9.9275","0.0003","10.6817","0.0004","17.0657","0.0007","90","","92.797","0.004","90","","1807.53","0.11","291","","291","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.0423","0.0384","","","0.0953","0.099","","","","","","1.037","","","","has coordinates","227362","2020-10-21","18:00:00",""
"4035970","12.306","0.003","9.758","0.002","17.335","0.005","90","","105.34","0.03","90","","2007.5","0.9","291","","291","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2353","0.0762","","","0.1542","0.2567","","","","","","0.874","","","","has coordinates","227363","2020-10-21","18:00:00",""
"4035971","11.3525","0.0005","17.2191","0.0006","8.8785","0.0003","90","","96.982","0.003","90","","1722.7","0.11","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C84 H68 N12 O12 -","4","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.0599","0.0413","","","0.1034","0.1163","","","","","","1.015","","","","has coordinates","227364","2020-10-21","18:00:00",""
"4035972","15.346","0.0018","5.6824","0.0006","13.3043","0.0012","90","","90","","90","","1160.2","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-amino-2-phenyl-8-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0358","0.0316","","","0.0792","0.0835","","","","","","1.05","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035973","3.8638","0.0003","12.3396","0.0009","23.9712","0.0019","90","","90.007","0.004","90","","1142.89","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2-phenyl-5-fluoroquinazoline","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C56 H40 F4 N12 -","4","2","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.068","0.0434","","","0.1198","0.1414","","","","","","1.028","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035974","10.9843","0.0005","14.3764","0.0006","7.3629","0.0003","90","","101.026","0.002","90","","1141.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-3'-methoxy-[1,1'-biphenyl]-4-carbonitrile","","- C14 H10 F N O -","- C14 H10 F N O -","- C56 H40 F4 N4 O4 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0655","0.0531","","","0.1586","0.1749","","","","","","1.11","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035975","7.246","0.0005","25.6754","0.0018","7.4701","0.0005","90","","113.808","0.003","90","","1271.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-difluoro-4-(naphthalen-1-yl)benzonitrile","","- C17 H9 F2 N -","- C17 H9 F2 N -","- C68 H36 F8 N4 -","4","1","","Peshkov, Roman Yu; Wang, Chunyan; Panteleeva, Elena V.; Rybalova, Tatyana V.; Tretyakov, Evgeny V.","Radical Anions of Aromatic Carbonitriles as Reagents for Arylation of Fluorinated Benzonitriles.","The Journal of organic chemistry","2019","84","2","963","972","10.1021/acs.joc.8b02904","","","0.71073","MoKα","","0.0543","0.0379","","","0.1079","0.1294","","","","","","1.121","","","","has coordinates","227365","2020-10-21","18:00:00",""
"4035976","11.2142","0.0006","25.3615","0.0011","11.4422","0.0007","90","","108.702","0.002","90","","3082.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.5 H29 Cl N2 O4.5 -","- C33.5 H29 Cl N2 O4.5 -","- C134 H116 Cl4 N8 O18 -","4","2","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.061","0.0509","","","0.1365","0.1436","","","","","","1.057","","","","has coordinates,has disorder","227366","2020-10-21","18:00:00",""
"4035977","13.2027","0.0004","8.2361","0.0002","24.8945","0.0006","90","","90.564","0.001","90","","2706.87","0.12","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl N3 O4 -","- C33 H28 Cl N3 O4 -","- C132 H112 Cl4 N12 O16 -","4","1","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.0539","0.0403","","","0.0948","0.1035","","","","","","1.047","","","","has coordinates","227367","2020-10-21","18:00:00",""
"4035978","8.4563","0.0002","23.5963","0.0005","16.0089","0.0004","90","","99.308","0.001","90","","3152.31","0.13","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl N3 O4 -","- C37 H32 Cl N3 O4 -","- C148 H128 Cl4 N12 O16 -","4","1","","Gayton, Jacqueline; Autry, Shane A.; Meador, William; Parkin, Sean R.; Hill, Jr, Glake Alton; Hammer, Nathan I.; Delcamp, Jared H.","Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts.","The Journal of organic chemistry","2019","84","2","687","697","10.1021/acs.joc.8b02521","","","0.71073","MoKα","","0.0413","0.0365","","","0.0954","0.0994","","","","","","1.032","","","","has coordinates","227368","2020-10-21","18:00:00",""
"4035979","11.545","0.0003","10.3342","0.0003","8.9226","0.0002","90","","93.57","0.002","90","","1062.47","0.05","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br N O4 S -","- C8 H8 Br N O4 S -","- C32 H32 Br4 N4 O16 S4 -","4","1","","Gilles, Philippe; Veryser, Cedrick; Vangrunderbeeck, Sarah; Ceusters, Sam; Van Meervelt, Luc; De Borggraeve, Wim M.","Synthesis of N-Acyl Sulfamates from Fluorosulfates and Amides.","The Journal of organic chemistry","2019","84","2","1070","1078","10.1021/acs.joc.8b02785","","x-ray","0.71073","MoKα","","0.0258","0.0249","","","0.0654","0.066","","","","","","1.041","","","","has coordinates","227369","2020-10-21","18:00:00",""
"4035980","8.2394","0.0005","10.4297","0.0007","13.8617","0.0008","79.069","0.005","83.88","0.005","89.814","0.005","1162.74","0.13","294","0.11","294","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 N O5 S2 -","- C9 H9 N O5 S2 -","- C36 H36 N4 O20 S8 -","4","2","","Gilles, Philippe; Veryser, Cedrick; Vangrunderbeeck, Sarah; Ceusters, Sam; Van Meervelt, Luc; De Borggraeve, Wim M.","Synthesis of N-Acyl Sulfamates from Fluorosulfates and Amides.","The Journal of organic chemistry","2019","84","2","1070","1078","10.1021/acs.joc.8b02785","","x-ray","0.71073","MoKα","","0.0792","0.0455","","","0.1049","0.1239","","","","","","1.017","","","","has coordinates","227370","2020-10-21","18:00:00",""
"4035981","9.571","0.002","10.703","0.003","12.016","0.003","82.755","0.009","83.644","0.009","86.742","0.008","1212.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.2505","0.084","","","0.1325","0.1626","","","","","","1.015","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035982","11.852","0.003","9.52","0.002","21.501","0.006","90","","104.502","0.008","90","","2348.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C100 H120 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1504","0.0639","","","0.1535","0.1876","","","","","","1.017","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035983","9.5634","0.001","11.1224","0.0012","22.362","0.002","90","","100.055","0.004","90","","2342.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N2 O5 -","- C27 H25 F N2 O5 -","- C108 H100 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.151","0.0638","","","0.1309","0.1591","","","","","","1.015","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035984","10.643","0.003","10.801","0.003","12.45","0.004","82.896","0.009","84.637","0.009","87.675","0.009","1413.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C54 H50 Cl2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1078","0.0617","","","0.1698","0.1831","","","","","","1.067","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035985","11.806","0.004","9.349","0.004","21.788","0.007","90","","105.72","","90","","2314.9","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O5 -","- C24 H27 Cl N2 O5 -","- C96 H108 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.2016","0.0717","","","0.1586","0.1951","","","","","","0.986","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035986","8.937","0.0017","9.5663","0.0018","11.885","0.002","95.002","0.006","90.131","0.006","99.912","0.006","997","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Cl N2 O5 -","- C21 H21 Cl N2 O5 -","- C42 H42 Cl2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0897","0.052","","","0.1171","0.1338","","","","","","1.016","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035987","9.958","0.003","10.022","0.003","13.449","0.004","82.113","0.008","74.432","0.009","67.704","0.008","1195.3","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C48 H58 N6 O12 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1021","0.0547","","","0.1314","0.1537","","","","","","1.022","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035988","8.036","0.003","8.365","0.002","14.182","0.004","99.935","0.009","98.973","0.01","90.533","0.011","926.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F N2 O5 -","- C20 H19 F N2 O5 -","- C40 H38 F2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0903","0.0525","","","0.121","0.1371","","","","","","1.022","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035989","7.9925","0.0017","9.4075","0.0017","25.078","0.005","90","","90.754","0.008","90","","1885.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1233","0.1059","","","0.2816","0.2965","","","","","","1.007","","","","has coordinates","227371","2020-10-21","18:00:00",""
"4035990","8.473","0.003","11.408","0.003","12.922","0.004","97.836","0.009","100.573","0.01","101.321","0.01","1184.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 N2 O5 -","- C21 H19 F3 N2 O5 -","- C42 H38 F6 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1195","0.074","","","0.2143","0.237","","","","","","1.087","","","","has coordinates,has disorder","227371","2020-10-21","18:00:00",""
"4035991","9.0321","0.001","18.163","0.002","11.1885","0.0013","90","","92.013","0.004","90","","1834.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0849","0.0528","","","0.1279","0.1493","","","","","","1.122","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035992","8.8658","0.0011","17.995","0.002","11.1606","0.0014","90","","92.884","0.004","90","","1778.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 F N2 O5 -","- C20 H19 F N2 O5 -","- C80 H76 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0847","0.0469","","","0.1028","0.1155","","","","","","1.043","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035993","8.9042","0.0011","18.097","0.002","11.3927","0.0015","90","","92.297","0.004","90","","1834.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0716","0.0466","","","0.1066","0.1175","","","","","","1.015","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035994","9.1526","0.0019","9.557","0.002","11.185","0.003","81.811","0.006","87.933","0.006","82.353","0.006","959.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br N2 O5 -","- C20 H19 Br N2 O5 -","- C40 H38 Br2 N4 O10 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.042","0.0319","","","0.0784","0.0826","","","","","","1.051","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035995","7.6659","0.0008","21.313","0.002","15.1393","0.0016","90","","101.551","0.003","90","","2423.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C112 H112 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1117","0.062","","","0.1447","0.1719","","","","","","1.057","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035996","7.7696","0.0009","19.945","0.002","15.1798","0.0016","90","","102.142","0.004","90","","2299.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F N2 O5 -","- C27 H25 F N2 O5 -","- C108 H100 F4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.0993","0.056","","","0.1362","0.1567","","","","","","1.02","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035997","7.7039","0.0011","20.96","0.003","15.257","0.003","90","","102.356","0.005","90","","2406.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1335","0.0596","","","0.1274","0.155","","","","","","1.02","","","","has coordinates,has disorder","227372","2020-10-21","18:00:00",""
"4035998","9.306","0.002","9.447","0.002","17.344","0.004","90","","90","","90","","1524.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.077","0.0473","","","0.096","0.1066","","","","","","1.039","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4035999","8.5742","0.0008","9.9875","0.0009","11.2641","0.001","77.561","0.003","77.38","0.003","66.025","0.003","851.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.1087","0.0827","","","0.2174","0.2441","","","","","","1.057","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4036000","12.4803","0.0001","17.4877","0.0001","18.5699","0.0002","90","","90","","90","","4052.91","0.06","123","2","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9,9'-dimethoxy-3H,3'H-1,1'-bibenzo[f]chromene","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.045","0.0427","","","0.1159","0.118","","","","","","1.032","","","","has coordinates","227374","2020-10-21","18:00:00",""
"4036001","11.2662","0.0002","15.6756","0.0002","14.1746","0.0003","90","","90","","90","","2503.3","0.08","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H20 Br2 O2 -","- C32 H20 Br2 O2 -","- C128 H80 Br8 O8 -","4","0.5","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","","1.5418","CuKα","","0.0467","0.046","","","0.1336","0.1351","","","","","","1.082","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4036002","14.84939","0.00017","5.00377","0.00004","23.0085","0.0002","90","","103.007","0.001","90","","1665.74","0.03","123","2","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.0483","0.0462","","","0.1169","0.1194","","","","","","1.13","","","","has coordinates","227376","2020-10-21","18:00:00",""
"4036003","15.9367","0.0002","6.7628","0.0001","16.9558","0.0003","90","","117.243","0.0008","90","","1624.73","0.04","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 F3 N2 O4 -","- C14 H13 F3 N2 O4 -","- C56 H52 F12 N8 O16 -","4","2","","Hu, Bin; Deng, Li","Direct Catalytic Asymmetric Synthesis of Trifluoromethylated γ-Amino Esters/Lactones via Umpolung Strategy.","The Journal of organic chemistry","2019","84","2","994","1005","10.1021/acs.joc.8b02893","","","1.5418","CuKα","","0.0243","0.0236","","0.0623","0.0617","0.0623","","","","","","0.9971","","","","has coordinates,has disorder","227377","2020-10-21","18:00:00",""
"4036004","11.9497","0.0011","12.5259","0.0011","18.539","0.002","85.427","0.009","86.549","0.009","62.251","0.009","2447.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O9 S3 -","- C48 H54 O9 S3 -","- C96 H108 O18 S6 -","2","1","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","","1.54184","CuKα","","0.1417","0.0657","","","0.1107","0.1428","","","","","","0.963","","","","has coordinates","227378","2020-10-21","18:00:00",""
"4036005","14.1404","0.0002","22.9172","0.0003","14.4095","0.0002","90","","109.755","0.002","90","","4394.7","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl O12 S3 -","- C39.5 H57 Cl O12 S3 -","- C158 H228 Cl4 O48 S12 -","4","2","","Perretti, Marcelle D.; Pérez-Márquez, Lidia A; García-Rodríguez, Raúl; Carrillo, Romen","Building Covalent Molecular Capsules by Thiol-Michael Addition Click Reaction.","The Journal of organic chemistry","2019","84","2","840","850","10.1021/acs.joc.8b02677","","x-ray","1.54184","CuKα","","0.0618","0.0591","","","0.1735","0.1793","","","","","","1.028","","","","has coordinates","227379","2020-10-21","18:00:00",""
"4036006","3.8905","0.0005","20.385","0.002","12.7499","0.0011","90","","90.055","0.009","90","","1011.17","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C36 H40 N8 O20 -","4","1","","Wan, Yameng; Zhang, Zhiguo; Ma, Nana; Bi, Jingjing; Zhang, Guisheng","Acylamino-Directed Specific Sequential Difunctionalizations of Anilides via Metal-Free Relay Reactions for p-Oxygen and o-Nitrogen Incorporation.","The Journal of organic chemistry","2019","84","2","780","791","10.1021/acs.joc.8b02636","","x-ray","1.54184","CuKα","","0.0895","0.0575","","","0.1401","0.1687","","","","","","1.042","","","","has coordinates","227380","2020-10-21","18:00:00",""
"4036007","4.6612","0.0006","8.2732","0.0009","15.4139","0.0018","81.641","0.009","82.204","0.01","80.603","0.01","576.37","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F3 N2 O4 -","- C10 H9 F3 N2 O4 -","- C20 H18 F6 N4 O8 -","2","1","","Wan, Yameng; Zhang, Zhiguo; Ma, Nana; Bi, Jingjing; Zhang, Guisheng","Acylamino-Directed Specific Sequential Difunctionalizations of Anilides via Metal-Free Relay Reactions for p-Oxygen and o-Nitrogen Incorporation.","The Journal of organic chemistry","2019","84","2","780","791","10.1021/acs.joc.8b02636","","x-ray","1.54184","CuKα","","0.0752","0.0503","","","0.132","0.1524","","","","","","1.015","","","","has coordinates,has disorder","227381","2020-10-21","18:00:00",""
"4036008","6.3754","0.0003","19.036","0.0009","10.9599","0.0006","90","","102.276","0.0012","90","","1299.7","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H26 Br2 O5 -","- C30 H26 Br2 O5 -","- C60 H52 Br4 O10 -","2","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","0.71073","MoKα","","0.0386","0.0329","","","0.0803","0.083","","","","","","1.039","","","","has coordinates","227382","2020-10-21","18:00:00",""
"4036009","6.4222","0.0004","15.4984","0.001","22.8","0.0015","90","","90","","90","","2269.4","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C116 H104 O16 -","4","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","1.54178","CuKα","","0.0347","0.0332","","","0.0828","0.0841","","","","","","1.067","","","","has coordinates","227383","2020-10-21","18:00:00",""
"4036010","10.6835","0.0005","12.3208","0.0005","15.947","0.0007","90","","90","","90","","2099.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N2 O4 -","- C23 H21 Cl N2 O4 -","- C92 H84 Cl4 N8 O16 -","4","1","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0571","0.0418","","","0.0997","0.1097","","","","","","1.028","","","","has coordinates","227384","2020-10-21","18:00:00",""
"4036011","9.748","0.0008","25.918","0.002","10.3862","0.0007","90","","100.71","0.002","90","","2578.3","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C112 H112 N8 O20 S4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0841","0.0572","","","0.138","0.1583","","","","","","1.05","","","","has coordinates","227385","2020-10-21","18:00:00",""
"4036012","8.3716","0.0004","50.033","0.003","8.3726","0.0004","90","","107.899","0.001","90","","3337.2","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H40 N2 O5 S Si -","- C33 H40 N2 O5 S Si -","- C132 H160 N8 O20 S4 Si4 -","4","2","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0716","0.0514","","","0.1171","0.1321","","","","","","1.022","","","","has coordinates","227386","2020-10-21","18:00:00",""
"4036013","11.6358","0.0011","15.0363","0.0015","7.9048","0.0007","90","","99.872","0.009","90","","1362.5","0.2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 -","- C14 H16 N6 -","- C56 H64 N24 -","4","1","","Zhang, Li-Yu; Zhang, Chen; Wang, Tao; Shi, Yu-Long; Ban, Meng-Tao; Cui, Dong-Mei","Copper-Catalyzed Tandem Reactions of 2-Amine-[1,3,5]triazines with Nitriles.","The Journal of organic chemistry","2019","84","2","536","543","10.1021/acs.joc.8b02150","","","0.71073","MoKα","","0.0674","0.0452","","","0.1046","0.1214","","","","","","1.022","","","","has coordinates","227387","2020-10-21","18:00:00",""
"4036014","17.1899","0.0009","16.7466","0.001","8.1097","0.0005","90","","91.91","0.002","90","","2333.3","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","1","","Weber, J.; Clennan, E. L.","Origin of the Preferential Formation of Helicenes in Mallory Photocyclizations. Temperature as a Tool to Influence Reaction Regiochemistry.","The Journal of organic chemistry","2019","84","2","817","830","10.1021/acs.joc.8b02671","","","0.71073","MoKα","","0.1244","0.0579","","","0.1167","0.1492","","","","","","1.008","","","","has coordinates","227388","2020-10-21","18:00:00",""
"4036015","6.9595","0.0006","10.7062","0.0009","11.3837","0.001","90","","90","","90","","848.2","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0301","0.0289","","","0.0795","0.0805","","","","","","1.108","","","","has coordinates","227389","2020-10-21","18:00:00",""
"4036016","6.7672","0.0002","11.7433","0.0004","7.7423","0.0003","90","","112.125","0.002","90","","569.97","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0417","0.0381","","","0.0949","0.1027","","","","","","1.068","","","","has coordinates","227390","2020-10-21","18:00:00",""
"4036017","7.153","0.005","13.527","0.005","19.62","0.005","90","","109.92","0.015","90","","1784.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","1","","Zhou, Meng; Li, Jinlei; Tian, Chao; Sun, Xiao; Zhu, Xiaoting; Cheng, Yaohang; An, Guanghui; Li, Guangming","A Metal-Free Three-Component Reaction of trans-β-Nitrostyrene Derivatives, Dibromo Amides, and Amines Leading to Functionalized Amidines.","The Journal of organic chemistry","2019","84","2","1015","1024","10.1021/acs.joc.8b02998","","","0.71069","MoKα","","0.0794","0.0589","","","0.1418","0.1595","","","","","","1.044","","","","has coordinates","227391","2020-10-21","18:00:00",""
"4036018","6.5131","","8.2925","","21.2429","","99.9811","","90.1718","","90.1879","","1129.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","2","","Thapa, Pawan; Corral, Esai; Sardar, Sinjinee; Pierce, Brad S.; Foss, Jr, Frank W","Isoindolinone Synthesis: Selective Dioxane-Mediated Aerobic Oxidation of Isoindolines.","The Journal of organic chemistry","2019","84","2","1025","1034","10.1021/acs.joc.8b01920","","x-ray","0.71073","MoKα","","0.069","0.069","","","0.0465","0.0465","","","","1.47","1.47","1.47","","","","has coordinates","227392","2020-10-21","18:00:00",""
"4036019","10.2358","0.0007","8.6625","0.0006","12.4764","0.001","90","","90.477","0.002","90","","1106.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O8 -","- C17 H33 N3 O8 -","- C34 H66 N6 O16 -","2","1","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","0.71073","MoKα","","0.0487","0.0392","","","0.0866","0.0908","","","","","","1.042","","","","has coordinates","227393","2020-10-21","18:00:00",""
"4036020","9.6845","0.0002","11.1866","0.0002","20.2699","0.0005","90","","90","","90","","2195.97","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C72 H136 N8 O48 -","8","2","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","1.54178","CuKα","","0.0241","0.0234","","","0.06","0.0604","","","","","","1.089","","","","has coordinates","227394","2020-10-21","18:00:00",""
"4036021","9.846","0.002","12.222","0.002","13.29","0.003","67.89","0.03","69.42","0.03","84.54","0.03","1385.9","0.6","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl3 N2 O7 S2 -","- C26 H25 Cl3 N2 O7 S2 -","- C52 H50 Cl6 N4 O14 S4 -","2","1","","Shi, Wangyu; Zhou, Leijie; Mao, Biming; Wang, Qijun; Wang, Chang; Zhang, Cheng; Li, Xuefeng; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed [3+2] Annulation of β-Sulfonamido-Substituted Enones with Sulfamate-Derived Cyclic Imines.","The Journal of organic chemistry","2019","84","2","679","686","10.1021/acs.joc.8b02515","","","0.71073","MoKα","","0.0743","0.067","","","0.1558","0.1609","","","","","","1.095","","","","has coordinates","227395","2020-10-21","18:00:00",""
"4036022","6.1209","0.0005","8.3258","0.0006","19.4643","0.0015","85.484","0.002","84.662","0.002","80.436","0.002","971.87","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 Cl O6 -","- C18 H25 Cl O6 -","- C36 H50 Cl2 O12 -","2","1","","Singh, Kuldeep; Bera, Tishyasoumya; Jaiswal, Vandana; Biswas, Subrata; Mondal, Biplab; Das, Dinabandhu; Saha, Jaideep","Lewis Acid Catalyzed Nucleophilic Ring Opening and 1,3-Bisfunctionalization of Donor-Acceptor Cyclopropanes with Hydroperoxides: Access to Highly Functionalized Peroxy/(α-Heteroatom Substituted)Peroxy Compounds.","The Journal of organic chemistry","2019","84","2","710","725","10.1021/acs.joc.8b02561","","","0.71073","MoKα","","0.0469","0.0375","","","0.096","0.102","","","","","","1.029","","","","has coordinates","227396","2020-10-21","18:00:00",""
"4036023","5.6579","0.0001","21.719","0.0005","14.8462","0.0003","90","","90.302","0.002","90","","1824.33","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl O3 S -","- C21 H17 Cl O3 S -","- C84 H68 Cl4 O12 S4 -","4","1","","Waiba, Satyadeep; Barman, Milan K.; Maji, Biplab","Manganese-Catalyzed Acceptorless Dehydrogenative Coupling of Alcohols With Sulfones: A Tool To Access Highly Substituted Vinyl Sulfones.","The Journal of organic chemistry","2019","84","2","973","982","10.1021/acs.joc.8b02911","","x-ray","0.71073","MoKα","","0.0443","0.0357","","","0.0822","0.087","","","","","","1.063","","","","has coordinates","227397","2020-10-21","18:00:00",""
"4036024","10.044","0.003","12.223","0.003","12.45","0.003","81.343","0.007","71.583","0.007","66.01","0.007","1324.5","0.6","238","2","238","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O4 -","- C34 H30 O4 -","- C68 H60 O8 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0625","0.0447","","","0.0961","0.1065","","","","","","1.04","","","","has coordinates","227398","2020-10-21","18:00:00",""
"4036025","9.4052","0.0004","12.5506","0.0005","16.5291","0.0007","80.422","0.001","80.65","0.001","89.993","0.001","1897.62","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 Br2 N2 -","- C42 H30 Br2 N2 -","- C84 H60 Br4 N4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0526","0.0374","","","0.0906","0.0971","","","","","","1.082","","","","has coordinates","227399","2020-10-21","18:00:00",""
"4036026","7.0575","0.0005","10.2773","0.0008","22.134","0.002","88.791","0.003","88.61","0.003","81.318","0.002","1586.3","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C86 H64 N4 O4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.0836","0.054","","","0.1117","0.1279","","","","","","1.052","","","","has coordinates,has disorder","227400","2020-10-21","18:00:00",""
"4036027","11.134","0.002","12.176","0.003","13.759","0.003","83.142","0.007","77.79","0.007","67.611","0.008","1684.1","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C90 H72 N4 O4 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.1791","0.0681","","","0.1581","0.2229","","","","","","0.947","","","","has coordinates","227401","2020-10-21","18:00:00",""
"4036028","9.1373","0.0013","18.993","0.003","18.606","0.002","90","","100.289","0.004","90","","3177","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 N2 -","- C41 H30 N2 -","- C164 H120 N8 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Konala, Ashok; Hsu, Che-Hao; Villuri, Bharath Kumar; Reddy, Sabbasani Rajasekhara; Lin, LiChun; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Polysubstituted Cyclopentene and Cyclopenta[ b]carbazole Analogues from Unsymmetrical 4-Arylidene-3,6-diarylhex-2-en-5-ynal and Indole Derivatives via an Iodine Mediated Electrocyclization Reaction.","The Journal of organic chemistry","2019","84","6","3036","3044","10.1021/acs.joc.8b02168","","","0.71073","MoKα","","0.1142","0.0601","","","0.131","0.1498","","","","","","1.017","","","","has coordinates","227402","2020-10-21","18:00:00",""
"4036029","11.7219","0.0003","11.6068","0.0003","7.8791","0.0002","90","","108.63","0.0016","90","","1015.81","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Grandane, Aiga; Longwitz, Lars; Roolf, Catrin; Spannenberg, Anke; Murua Escobar, Hugo; Junghanss, Christian; Suna, Edgars; Werner, Thomas","Intramolecular Base-Free Catalytic Wittig Reaction: Synthesis of Benzoxepinones.","The Journal of organic chemistry","2019","84","3","1320","1329","10.1021/acs.joc.8b02789","","","1.54178","CuKα","","0.0411","0.036","","","0.0932","0.099","","","","","","1.07","","","","has coordinates","227403","2020-10-21","18:00:00",""
"4036030","3.7834","0.0003","9.5523","0.0006","10.0933","0.0007","80.562","0.002","80.636","0.002","80.13","0.002","351.09","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N2 O3 -","- C7 H6 N2 O3 -","- C14 H12 N4 O6 -","2","1","","Rizzo, Antonio; Mayer, Robert J.; Trauner, Dirk","Biomimetic Approach Toward Enterocin and Deoxyenterocin.","The Journal of organic chemistry","2019","84","3","1162","1175","10.1021/acs.joc.8b02273","","","0.71073","MoKα","","0.0409","0.032","","","0.086","0.0902","","","","","","1.083","","","","has coordinates","227404","2020-10-21","18:00:00",""
"4036031","13.98976","0.00019","20.6879","0.0003","34.2198","0.0004","88.085","0.001","82.746","0.001","82.76","0.001","9744.7","0.2","99.96","0.17","99.96","0.17","","","","","","","","3","P -1","-P 1","2","","","","- C188 H212 N8 -","- C188 H212 N8 -","- C376 H424 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.0797","0.0687","","","0.1812","0.1895","","","","","","1.026","","","","has coordinates,has disorder","227405","2020-10-21","18:00:00",""
"4036032","13.707","0.0005","30.1449","0.0013","33.1513","0.0013","102.076","0.003","95.259","0.003","100.812","0.003","13034.3","0.9","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C309 H332 N12 Ni3 -","- C309 H332 N12 Ni3 -","- C618 H664 N24 Ni6 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.1655","0.1133","","","0.2996","0.354","","","","","","1.145","","","","has coordinates,has disorder","227406","2020-10-21","18:00:00",""
"4036033","21.1919","0.0007","21.4423","0.0008","24.3801","0.0012","64.385","0.004","66.879","0.004","89.485","0.003","9012.9","0.8","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C172.61 H190.31 N8 -","- C172.598 H190.299 N8 -","- C345.196 H380.597 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.123","0.0901","","","0.2212","0.2472","","","","","","1.041","","","","has coordinates,has disorder","227407","2020-10-21","18:00:00",""
"4036034","12.5978","0.0015","17.972","0.002","43.321","0.005","98.672","0.01","93.842","0.009","105.443","0.011","9287","2","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C221 H245 N8 -","- C221 H245 N8 -","- C442 H490 N16 -","2","1","","Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert","Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.","The Journal of organic chemistry","2019","84","3","1489","1499","10.1021/acs.joc.8b02907","","x-ray","1.54184","CuKα","","0.1971","0.1299","","","0.3234","0.3778","","","","","","1.222","","","","has coordinates,has disorder","227408","2020-10-21","18:00:00",""
"4036035","7.2833","0.0002","12.8375","0.0003","12.4934","0.0009","90","","90","","90","","1168.12","0.09","123","","123","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Sako, Makoto; Aoki, Takanori; Zumbrägel, Nadine; Schober, Lukas; Gröger, Harald; Takizawa, Shinobu; Sasai, Hiroaki","Chiral Dinuclear Vanadium Complex-Mediated Oxidative Coupling of Resorcinols.","The Journal of organic chemistry","2019","84","3","1580","1587","10.1021/acs.joc.8b02494","","","1.54187","CuKα","","0.0592","0.0576","","","0.1565","0.1575","","","","","","1.137","","","","has coordinates","227409","2020-10-21","18:00:00",""
"4036036","4.641","0.00013","13.2241","0.0003","27.002","0.0007","90","","90","","90","","1657.2","0.07","293","2","293","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Yokoyama, Soichi; Nishiwaki, Nagatoshi","Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.","The Journal of organic chemistry","2019","84","3","1192","1200","10.1021/acs.joc.8b02517","","x-ray","1.54184","CuKα","","0.0434","0.041","","","0.1066","0.1091","","","","","","1.06","","","","has coordinates","227410","2020-10-21","18:00:00",""
"4036037","14.4693","0.0003","12.8715","0.0002","9.0715","0.0002","90","","99.139","0.002","90","","1668.04","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Yokoyama, Soichi; Nishiwaki, Nagatoshi","Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State.","The Journal of organic chemistry","2019","84","3","1192","1200","10.1021/acs.joc.8b02517","","x-ray","1.54184","CuKα","","0.0416","0.038","","","0.101","0.1039","","","","","","1.054","","","","has coordinates","227411","2020-10-21","18:00:00",""
"4036038","21.8886","0.0012","5.9177","0.0003","22.4643","0.0012","90","","106.375","0.002","90","","2791.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N4 O8 -","- C24 H42 N4 O8 -","- C96 H168 N16 O32 -","4","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","0.71073","MoKα","","0.0702","0.0477","","","0.0991","0.109","","","","","","1.02","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036039","22.8427","0.0009","6.4349","0.0003","16.7283","0.0007","90","","116.778","0.001","90","","2195.21","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 F3 N O4 S -","- C8 H12 F3 N O4 S -","- C64 H96 F24 N8 O32 S8 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.0291","0.0288","","","0.0714","0.0717","","","","","","1.063","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036040","6.3322","0.0004","16.0598","0.0008","13.7532","0.0007","90","","98.378","0.004","90","","1383.69","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C52 H84 N4 O16 -","4","1","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.1068","0.075","","","0.1332","0.1443","","","","","","1.085","","","","has coordinates,has disorder","227412","2020-10-21","18:00:00",""
"4036041","10.2399","0.0003","6.5669","0.0002","11.6218","0.0003","90","","106.022","0.001","90","","751.14","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","0.5","","Feskov, Illia O.; Chernykh, Anton V.; Kuchkovska, Yuliya O.; Daniliuc, Constantin G.; Kondratov, Ivan S.; Grygorenko, Oleksandr O.","3-((Hetera)cyclobutyl)azetidines, ""Stretched"" Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2019","84","3","1363","1371","10.1021/acs.joc.8b02822","","","1.54178","CuKα","","0.0352","0.0322","","","0.0802","0.0828","","","","","","1.072","","","","has coordinates","227412","2020-10-21","18:00:00",""
"4036042","6.639","0.003","8.413","0.003","36.816","0.016","90","","90.173","0.01","90","","2056.3","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.1099","0.062","","","0.1167","0.1467","","","","","","0.973","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036043","14.9637","0.0005","11.3042","0.0004","21.2771","0.0009","90","","110.436","0.001","90","","3372.6","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C136 H192 N16 O24 -","8","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.0551","0.055","","","0.2125","0.2128","","","","","","2.07","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036044","6.8272","0.0003","8.0949","0.0003","42.0284","0.0015","90.029","0.002","89.977","0.002","90.011","0.002","2322.72","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","4","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.1127","0.0664","","","0.1056","0.1181","","","","","","1.263","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036045","6.696","0.002","13.783","0.004","10.694","0.004","90","","102.69","0.008","90","","962.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C40 H60 N4 O6 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0798","0.0599","","","0.147","0.1601","","","","","","1.026","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036046","28.9","0.04","10.508","0.013","13.397","0.017","90","","106.42","0.03","90","","3902","9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 N2 O3 -","- C20 H29 N2 O3 -","- C160 H232 N16 O24 -","8","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.3844","0.1511","","","0.3044","0.3809","","","","","","1.265","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036047","6.8063","0.0018","13.002","0.004","13.629","0.004","110.694","0.006","92.523","0.007","99.327","0.007","1106.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N3 O3 -","- C22 H30 N3 O3 -","- C44 H60 N6 O6 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.2859","0.0841","","","0.1747","0.2362","","","","","","1.017","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036048","6.7044","0.001","28.659","0.004","11.4082","0.0018","90","","91.966","0.009","90","","2190.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O3 -","- C25 H29 N3 O3 -","- C100 H116 N12 O12 -","4","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","1.54178","CuKα","","0.1014","0.0712","","","0.1771","0.1965","","","","","","1.09","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036049","12.367","0.005","16.811","0.007","19.201","0.008","90","","90","","90","","3992","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","2","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0749","0.0407","","","0.1008","0.1175","","","","","","0.665","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036050","6.5787","0.0011","9.2449","0.0014","14.324","0.002","75.8","0.003","77.982","0.004","81.933","0.004","822.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C40 H42 N6 O2 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0607","0.0523","","","0.1857","0.1965","","","","","","1.563","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036051","6.9007","0.0011","25.211","0.004","13.042","0.002","90","","101.886","0.004","90","","2220.3","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.0419","0.0361","","","0.0975","0.1037","","","","","","0.761","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036052","6.6014","0.0015","9.469","0.002","35.287","0.008","93.454","0.005","93.826","0.005","98.649","0.005","2170.3","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Cl6 N5 O4 -","- C41 H44 Cl6 N5 O4 -","- C82 H88 Cl12 N10 O8 -","2","1","","Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.","Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01936","","","0.71073","MoKα","","0.1283","0.0913","","","0.2631","0.3006","","","","","","0.781","","","","has coordinates","227480","2020-10-21","18:00:00",""
"4036053","21.0773","0.0014","6.9231","0.0005","16.9633","0.0011","90","","101.741","0.002","90","","2423.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RCG-0193a-2","","","- C28 H30.28 N4 O0.14 -","- C28 H30.2812 N4 O0.1406 -","- C112 H121.125 N16 O0.5624 -","4","1","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0648","0.042","","","0.1","0.111","","","","","","1.023","","","","has coordinates","227732","2020-10-21","18:00:00",""
"4036054","10.4305","0.0007","8.805","0.0006","17.1263","0.0011","90","","100.262","0.002","90","","1547.73","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","RCG-0191a-6","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0627","0.0407","","","0.0878","0.0974","","","","","","1.03","","","","has coordinates","227733","2020-10-21","18:00:00",""
"4036055","10.4169","0.0005","9.4055","0.0005","14.6021","0.0008","90","","109.178","0.0017","90","","1351.26","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RCG-0192b","","","- C32 H36 N4 O2 -","- C32.0072 H36.0156 N4 O2 -","- C64.0144 H72.0312 N8 O4 -","2","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0668","0.0441","","","0.1134","0.1277","","","","","","1.029","","","","has coordinates,has disorder","227734","2020-10-21","18:00:00",""
"4036056","26.0163","0.0018","26.0163","0.0018","6.8761","0.0005","90","","90","","120","","4030.5","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","RCG-0191b","","","- C20.67 H14 N4 O2.33 S0.33 -","- C20.6668 H14.0004 N4 O2.3334 S0.3334 -","- C186.001 H126.004 N36 O21.0006 S3.0006 -","9","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0991","0.0783","","","0.2313","0.2553","","","","","","1.07","","","","has coordinates,has disorder","227735","2020-10-21","18:00:00",""
"4036057","4.6765","0.0002","8.8636","0.0004","16.2126","0.0008","94.8546","0.0018","96.969","0.0018","97.109","0.002","658.53","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","RCG0192a-1","","","- C32 H38 N4 -","- C32 H38 N4 -","- C32 H38 N4 -","1","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0704","0.0455","","","0.1073","0.1197","","","","","","1.006","","","","has coordinates","227736","2020-10-21","18:00:00",""
"4036058","16.5439","0.0005","12.7585","0.0005","13.4093","0.0005","90","","101.515","0.003","90","","2773.4","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 O0 S -","- C12 H18 N4 S -","- C96 H144 N32 S8 -","8","1","","Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai","Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02514","","x-ray","0.71073","MoKα","","0.044","0.0391","","","0.1","0.1025","","","","","","1.068","","","","has coordinates","227843","2020-10-21","18:00:00",""
"4036059","16.55068","0.0001","26.78093","0.00017","7.26499","0.00005","90","","90","","90","","3220.15","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C18 H19 N5 O -","- C18 H19 N5 O -","- C144 H152 N40 O8 -","8","1","","Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai","Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02514","","x-ray","1.54184","CuKα","","0.0384","0.0382","","","0.0922","0.0927","","","","","","1.073","","","","has coordinates","227844","2020-10-21","18:00:00",""
"4036060","11.7852","0.0008","7.4546","0.0005","13.3425","0.0008","90","","100.496","0.006","90","","1152.58","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F3 N2 O -","- C12 H8 F3 N O2 -","- C48 H32 F12 N4 O8 -","4","1","","Wang, Junwen; Chen, Shouxiong; Wu, Wei; Wen, Shunli; Weng, Zhiqiang","Base-Mediated Tunable Synthesis of 2-Trifluoromethylated Furans and Dihydrofuranols: Extraordinary Stable in Sulfuric Acid.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02326","","x-ray","1.54184","CuKα","","0.0511","0.0387","","","0.0966","0.1066","","","","","","1.038","","","","has coordinates","227845","2020-10-21","18:00:00",""
"4036061","10.011","0.0004","11.0449","0.0005","13.0896","0.0005","110.209","0.004","90.334","0.004","109.03","0.004","1272.5","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H7 Cl F3 N O2 -","- C12 H7 Cl F3 N O2 -","- C48 H28 Cl4 F12 N4 O8 -","4","2","","Wang, Junwen; Chen, Shouxiong; Wu, Wei; Wen, Shunli; Weng, Zhiqiang","Base-Mediated Tunable Synthesis of 2-Trifluoromethylated Furans and Dihydrofuranols: Extraordinary Stable in Sulfuric Acid.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02326","","","0.71073","MoKα","","0.1284","0.0621","","","0.1894","0.2401","","","","","","1.021","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036062","11.0213","0.0016","8.5573","0.0013","25.048","0.004","90","","98.823","0.003","90","","2334.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 N O2 -","- C12 H8 F3 N O2 -","- C96 H64 F24 N8 O16 -","8","2","","Wang, Junwen; Chen, Shouxiong; Wu, Wei; Wen, Shunli; Weng, Zhiqiang","Base-Mediated Tunable Synthesis of 2-Trifluoromethylated Furans and Dihydrofuranols: Extraordinary Stable in Sulfuric Acid.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02326","","","0.71073","MoKα","","0.1159","0.0623","","","0.1427","0.1754","","","","","","1.072","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4036063","11.2458","0.0012","7.3541","0.0006","18.913","0.002","90","","105.066","0.012","90","","1510.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N5 O2 S -","- C14 H15 N5 O2 S -","- C56 H60 N20 O8 S4 -","4","1","","Lyapustin, Daniil N.; Ulomsky, Evgeny N.; Zanakhov, Timur O.; Rusinov, Vladimir L.","Three-Component Coupling of Aromatic Aldehydes, 1-Morpholino-2-nitroalkenes, and 3-Aminoazoles via Boron Trifluoride Etherate Catalysis: Reaction Pathway and Features of the Formation of Intermediates.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02286","","","0.71073","MoKα","","0.1271","0.0616","","","0.1561","0.2158","","","","","","1.001","","","","has coordinates","227848","2020-10-21","18:00:00",""
"4036064","10.389","0.0003","18.7746","0.0006","10.6297","0.0003","90","","113.397","0.001","90","","1902.84","0.1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Du, Yachu; Wang, Lichang; Plunkett, Kyle N.","1,1'-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02118","","","0.71073","MoKα","","0.0532","0.0399","","","0.0951","0.103","","","","","","1.042","","","","has coordinates","227849","2020-10-21","18:00:00",""
"4036065","13.7602","0.0001","13.8078","0.0002","16.1032","0.0002","65.362","0.001","78.621","0.001","61.072","0.001","2434","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H49 Cl N4 O4 -","- C55 H49 Cl N4 O4 -","- C110 H98 Cl2 N8 O8 -","2","1","","Niu, Li; Pi, Rou; Dong, Suzhen; Liu, Shunying","Aromatic C-H Bond Functionalized via Zwitterion Intermediates to Construct Bioxindole Containing Continuous Quaternary Carbons.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02228","","x-ray","1.54184","CuKα","","0.0523","0.0488","","","0.1471","0.1504","","","","","","1.073","","","","has coordinates","227850","2020-10-21","18:00:00",""
"4036066","8.4719","0.0002","11.2069","0.0003","9.3465","0.0003","90","","92.107","0.001","90","","886.79","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C36 H34 I2 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0507","0.0476","","","0.1195","0.1231","","","","","","1.065","","","","has coordinates","227917","2020-10-21","18:00:00",""
"4036067","7.8514","0.0004","11.5391","0.0006","27.4981","0.0012","90","","90","","90","","2491.3","0.2","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 I N3 O7 S -","- C23 H24 I N3 O7 S -","- C92 H96 I4 N12 O28 S4 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0555","0.0431","","","0.1035","0.1122","","","","","","1.059","","","","has coordinates","227918","2020-10-21","18:00:00",""
"4036068","10.4928","0.0003","10.9595","0.0003","18.3029","0.0006","73.12","0.002","78.857","0.002","64.829","0.002","1816.9","0.1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C72 H68 I4 N8 O20 -","4","4","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0733","0.0493","","","0.0951","0.107","","","","","","1.062","","","","has coordinates","227919","2020-10-21","18:00:00",""
"4036069","9.4104","0.0006","13.139","0.0008","14.3976","0.0009","90","","90","","90","","1780.17","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C72 H68 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0333","0.0319","","","0.0813","0.0827","","","","","","1.069","","","","has coordinates","227920","2020-10-21","18:00:00",""
"4036070","20.3654","0.0007","10.686","0.0004","18.0155","0.0007","90","","91.228","0.002","90","","3919.7","0.3","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H19 I N3 O7.5 S -","- C16 H19 I N3 O7.5 S -","- C128 H152 I8 N24 O60 S8 -","8","2","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.046","0.039","","","0.0818","0.0861","","","","","","1.056","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036071","6.556","0.0004","12.1153","0.0008","9.5191","0.0007","90","","93.513","0.003","90","","754.66","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O -","- C20 H28 O -","- C40 H56 O2 -","2","1","","Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.","Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02293","","","0.71073","MoKα","","0.0745","0.0622","","","0.1694","0.1838","","","","","","1.4","","","","has coordinates","227922","2020-10-21","18:00:00",""
"4036072","15.4691","0.0004","30.463","0.0008","6.74","0.0002","90","","90","","90","","3176.13","0.15","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H28 O -","- C20 H28 O -","- C160 H224 O8 -","8","2","","Ganga-Sah, Yumeela; Leznoff, Daniel B.; Bennet, Andrew J.","Synthesis of Sterically Congested 2,2'-Bi(Adamantyl)-based Alcohol and Amines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02293","","","1.54178","CuKα","","0.0736","0.0529","","","0.1149","0.1261","","","","","","1.013","","","","has coordinates","227923","2020-10-21","18:00:00",""
"4036073","11.8379","0.0005","14.0015","0.0006","12.0981","0.0006","90","","106.742","0.003","90","","1920.24","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 I N O3 -","- C20 H16 I N O3 -","- C80 H64 I4 N4 O12 -","4","2","","Donthoju, Ashok; Magham, Lakshmi Revati; Singh, Neetu; Manjula, Nemali; Chegondi, Rambabu","Enantioselective Desymmetrization of Prochiral Cyclopentene-1,3-diones Triggered by Remote C(sp2)-N Bond Formation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02411","","","0.71073","MoKα","","0.062","0.0449","","","0.1201","0.1328","","","","","","0.929","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036074","10.8715","0.0008","12.1969","0.0009","12.8986","0.0009","108.743","0.002","92.547","0.002","106.776","0.002","1532.85","0.19","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35.64 H28.28 Cl3.28 N3 -","- C35.639 H28.278 Cl3.278 N3 -","- C71.278 H56.556 Cl6.556 N6 -","2","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","0.71073","MoKα","","0.081","0.049","","","0.1255","0.1407","","","","","","1.045","","","","has coordinates","231004","2020-10-21","18:00:00",""
"4036075","16.6654","0.0014","9.3763","0.0008","17.4986","0.0014","90","","91.473","0.005","90","","2733.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 N3 -","- C37 H31 N3 -","- C148 H124 N12 -","4","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","0.71073","MoKα","","0.1099","0.058","","","0.1094","0.1237","","","","","","1.038","","","","has coordinates","231005","2020-10-21","18:00:00",""
"4036076","15.0683","0.0005","7.4793","0.0002","21.6678","0.0008","90","","94.396","0.001","90","","2434.78","0.14","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N3 S -","- C34 H25 N3 S -","- C136 H100 N12 S4 -","4","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","0.71073","MoKα","","0.0885","0.0549","","","0.129","0.1464","","","","","","1.027","","","","has coordinates","231006","2020-10-21","18:00:00",""
"4036077","15.4397","0.0007","9.2509","0.0005","17.4181","0.0007","90","","99.141","0.003","90","","2456.3","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N3 O -","- C34 H25 N3 O -","- C136 H100 N12 O4 -","4","1","","Sauvé, Ethan R.; Paeng, Jaesuk; Yamaguchi, Shigehiro; Hudson, Zachary M.","Donor‒Acceptor Materials Exhibiting Thermally Activated Delayed Fluorescence Using a Planarized N-Phenylbenzimidazole Acceptor","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02283","","x-ray","1.54178","CuKα","","0.0545","0.0407","","","0.1003","0.1102","","","","","","1.044","","","","has coordinates","231007","2020-10-21","18:00:00",""
"4036078","7.2656","0.0006","7.5496","0.0006","15.542","0.0013","102.357","0.003","96.219","0.003","101.241","0.003","806.71","0.12","297","2","296.96","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C38 H30 N6 O6 -","2","1","","Chen, Chen; Wei, Ran; Yi, Xing; Gao, Li; Zhang, Min; Liu, Han; Li, Qingshan; Song, Heng; Ban, Shurong","Diastereo- and enantioselective synthesis of functionalized cyclopentenes containing quaternary chiral center via thiosquaramide-catalyzed cascade Michael/Henry reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02176","","","0.71073","MoKα","","0.0517","0.0408","","","0.1002","0.1073","","","","","","1.072","","","","has coordinates","231008","2020-10-21","18:00:00",""
"4036079","17.90301","0.00018","7.47461","0.00009","11.71091","0.00012","90","","98.6865","0.001","90","","1549.15","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Liu, Fen; Tian, Hai-Yan; Huang, Xiao-Lin; Wang, Wen-Jing; Li, Ni-Ping; He, Jun; Ye, Wen-Cai; Wang, Lei","Xanthchrysones A-C: Rearranged Phenylpropanoyl-Phloroglucinol Dimers with Unusual Skeletons from Xanthostemon chrysanthus.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02373","","x-ray","1.54184","CuKα","","0.0447","0.044","","","0.153","0.1538","","","","","","1.7373","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036080","35.1338","0.0016","24.4548","0.0009","8.3344","0.0002","90","","91.754","0.004","90","","7157.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O10 -","- C34 H32 O10 -","- C272 H256 O80 -","8","2","","Liu, Fen; Tian, Hai-Yan; Huang, Xiao-Lin; Wang, Wen-Jing; Li, Ni-Ping; He, Jun; Ye, Wen-Cai; Wang, Lei","Xanthchrysones A-C: Rearranged Phenylpropanoyl-Phloroglucinol Dimers with Unusual Skeletons from Xanthostemon chrysanthus.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02373","","","1.54184","CuKα","","0.2713","0.2491","","","0.5237","0.5354","","","","","","1.062","","","","has coordinates","231010","2020-10-21","18:00:00",""
"4036081","12.89","0.002","10.577","0.002","12.0978","0.0018","90","","96.57","0.003","90","","1638.6","0.5","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 F3 N O3 S3 Si -","- C9 H18 F3 N O3 S3 Si -","- C36 H72 F12 N4 O12 S12 Si4 -","4","1","","Zemtsov, Artem A.; Ashirbaev, Salavat S.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Dilman, Alexander D.","Photoredox Reaction of 2-Mercaptothiazolinium Salts with Silyl Enol Ethers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02478","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.0872","0.0932","","","","","","1.024","","","","has coordinates","231011","2020-10-21","18:00:00",""
"4036082","13.3302","0.0006","7.7379","0.0004","18.5526","0.0009","90","","103.928","0.001","90","","1857.4","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","","Smirnov, Alexander Yu; Zaitseva, Elvira R.; Belozerova, Olga A.; Alekseyev, Roman S.; Baleeva, Nadezhda S.; Zagudaylova, Marina B.; Mikhaylov, Andrey A.; Baranov, Mikhail S.","Nitroacetic esters in the regioselective synthesis of isoxazole-3,5-dicarboxylic acids derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02427","","","0.71073","MoKα","","0.0495","0.0395","","","0.1221","0.1343","","","","","","1.004","","","","has coordinates","231012","2020-10-21","18:00:00",""
"4036083","40.1168","0.0011","13.5455","0.0004","15.0921","0.0005","90","","103.963","0.0013","90","","7958.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3a in manuscript","","","- C43 H52 N2 O Si2 -","- C43 H52 N2 O Si2 -","- C344 H416 N16 O8 Si16 -","8","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","0.71073","MoKα","","0.1183","0.0631","","","0.1484","0.1804","","","","","","1.033","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036084","12.0996","0.0004","15.1021","0.0007","23.5671","0.0008","90","","93.347","0.003","90","","4299.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C47 H54 N2 O Si2 -","- C47 H54 N2 O Si2 -","- C188 H216 N8 O4 Si8 -","4","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.0881","0.0547","","","0.1284","0.1507","","","","","","1.023","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036085","8.0215","0.0007","20.4645","0.0018","28.066","0.002","85.137","0.007","82.512","0.007","81.462","0.007","4507.2","0.7","240","2","240","2","","","","","","","","5","P -1","-P 1","2","3c in manuscript","","","- C51 H56 N2 O Si2 -","- C51 H56 N2 O Si2 -","- C204 H224 N8 O4 Si8 -","4","2","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1534","0.0634","","","0.1207","0.1647","","","","","","1.011","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036086","18.0785","0.0005","32.5959","0.0009","7.7799","0.0002","90","","95.694","0.002","90","","4562","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3d in manuscript","","","- C49 H54 Cl3 N4 O Si2 -","- C49 H54 N4 O Si2 -","- C196 H216 N16 O4 Si8 -","4","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.0878","0.059","","","0.1504","0.1691","","","","","","1.015","","","","has coordinates","231013","2020-10-21","18:00:00",""
"4036087","16.1832","0.0009","9.6851","0.0005","26.6042","0.0017","90","","103.342","0.005","90","","4057.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3e in manuscript","","","- C43 H50 N4 O S Si2 -","- C43 H50 N4 O S Si2 -","- C172 H200 N16 O4 S4 Si8 -","4","1","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1549","0.0904","","","0.1721","0.2134","","","","","","1.172","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036088","37.3457","0.0009","37.3457","0.0009","8.156","0.0003","90","","90","","90","","11375.2","0.6","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","3f in manuscript","","","- C64 H70 N4 O2 Si2 -","- C64 H70 N4 O2 Si2 -","- C512 H560 N32 O16 Si16 -","8","0.5","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1169","0.0661","","","0.1595","0.1892","","","","","","1.018","","","","has coordinates,has disorder","231013","2020-10-21","18:00:00",""
"4036089","34.619","0.004","12.3766","0.001","17.2734","0.0017","90","","105.698","0.008","90","","7125","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3g in manuscript","","","- C84 H86 N4 O2 Si2 -","- C84 H86 N4 O2 Si2 -","- C336 H344 N16 O8 Si8 -","4","0.5","","Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.","Azaacenodibenzosuberones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02756","","","1.54178","CuKα","","0.1885","0.0975","","","0.2377","0.3008","","","","","","1.022","","","","has coordinates","231013","2020-10-21","18:00:00",""
"4036090","9.9083","0.0004","15.1863","0.0006","19.203","0.0008","91.916","0.003","92.93","0.003","101.564","0.003","2824.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H164 Cl6 N2 O12 -","- C122 H164 Cl6 N2 O12 -","- C122 H164 Cl6 N2 O12 -","1","0.5","","Royakkers, Jeroen; Minotto, Alessandro; Congrave, Daniel G.; Zeng, Weixuan; Patel, Adil; Bond, Andrew D.; Bučar, Dejan-Krešimir; Cacialli, Franco; Bronstein, Hugo","Doubly Encapsulated Perylene Diimides: Effect of Molecular Encapsulation on Photophysical Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02597","","","1.54178","CuKα","","0.2857","0.1955","","","0.4227","0.4526","","","","","","2.158","","","","has coordinates,has disorder","231094","2020-10-21","18:00:00",""
"4036091","16.5071","0.0007","12.026","0.0005","47.761","0.002","90","","98.26","0.003","90","","9382.9","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H124 Cl6 N2 O12 -","- C98 H124 Cl6 N2 O12 -","- C392 H496 Cl24 N8 O48 -","4","1","","Royakkers, Jeroen; Minotto, Alessandro; Congrave, Daniel G.; Zeng, Weixuan; Patel, Adil; Bond, Andrew D.; Bučar, Dejan-Krešimir; Cacialli, Franco; Bronstein, Hugo","Doubly Encapsulated Perylene Diimides: Effect of Molecular Encapsulation on Photophysical Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02597","","","1.54178","CuKα","","0.2786","0.1678","","","0.4148","0.4726","","","","","","1.337","","","","has coordinates","231094","2020-10-21","18:00:00",""
"4036092","8.0934","0.0001","10.189","0.0001","27.8072","0.0002","90","","90","","90","","2293.08","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O5 S -","- C25 H30 N2 O5 S -","- C100 H120 N8 O20 S4 -","4","1","","Ao, Chaoqun; Yang, Xiaohan; Jia, Shikun; Xu, Xinfang; Yuan, Yanqiu; Zhang, Dan; Hu, Wenhao","Zinc-Catalyzed Alkyne-Carbonyl Metathesis of Ynamides with Isatins: Stereoselective Access to Fully Substituted Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02350","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0715","0.0718","","","","","","1.061","","","","has coordinates","231095","2020-10-21","18:00:00",""
"4036093","9.7408","0.0002","10.3272","0.0002","13.5807","0.0003","107.572","0.002","95.879","0.002","109.928","0.002","1191.86","0.05","99.97","0.1","99.97","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br N2 O5 S -","- C26 H23 Br N2 O5 S -","- C52 H46 Br2 N4 O10 S2 -","2","1","","Ao, Chaoqun; Yang, Xiaohan; Jia, Shikun; Xu, Xinfang; Yuan, Yanqiu; Zhang, Dan; Hu, Wenhao","Zinc-Catalyzed Alkyne-Carbonyl Metathesis of Ynamides with Isatins: Stereoselective Access to Fully Substituted Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02350","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.085","0.0866","","","","","","1.043","","","","has coordinates","231096","2020-10-21","18:00:00",""
"4036094","11.2573","0.0007","11.2944","0.0007","12.1379","0.0007","72.109","0.002","72.801","0.002","63.066","0.001","1286.85","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O4 S3 -","- C27 H25 N O4 S3 -","- C54 H50 N2 O8 S6 -","2","1","","Iwasaki, Masayuki; Nonaka, Kosei; Zou, Song; Sawanaka, Yuta; Shinozaki, Takaaki; Fujii, Tomoya; Nakajima, Kiyohiko; Nishihara, Yasushi","Copper-Catalyzed Regioselective Aminothiolation of Aromatic and Aliphatic Alkenes with <i>N</i>-Fluorobenzenesulfonimide and Thiols through Three-Component Radical Coupling.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02392","","","0.71075","MoKα","","0.0717","0.0483","","","0.099","0.1084","","","","","","1.075","","","","has coordinates","231097","2020-10-21","18:00:00",""
"4036095","16.3207","0.0004","9.014","0.0002","17.5595","0.0004","90","","111.115","0.001","90","","2409.82","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O3 S -","- C30 H23 N O3 S -","- C120 H92 N4 O12 S4 -","4","1","","Xie, Huan-Ping; Sun, Lei; Wu, Bo; Zhou, Yong-Gui","Copper-Catalyzed Alkynylation/Cyclization/Isomerization Cascade for Synthesis of 1,2-Dihydrobenzofuro[3,2-b]pyridines and Benzofuro[3,2-b]pyridines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02512","","","0.71073","MoKα","","0.0597","0.0444","","","0.1139","0.127","","","","","","1.028","","","","has coordinates","231098","2020-10-21","18:00:00",""
"4036096","8.148","0.006","8.347","0.004","14.363","0.011","90","","94.014","0.019","90","","974.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 S -","- C14 H9 S -","- C56 H36 S4 -","4","1","","Chow, Chi Hao Eugene; Phan, Hoa; Zhang, Xiaojie; Wu, Jishan","Sulfur-Doped (Dibenzo)heptazethrene and (Dibenzo)octazethrene Diradicaloids.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02796","","","1.54178","CuKα","","0.0471","0.0373","","","0.0793","0.0835","","","","","","1.063","","","","has coordinates","231178","2020-10-21","18:00:00",""
"4036097","3.9499","0.0004","15.0724","0.0018","23.358","0.003","90","","92.198","0.009","90","","1389.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Br2 F2 -","- C16 H8 Br2 F2 -","- C64 H32 Br8 F8 -","4","1","","Huang, Xiaoying; Chen, Hui; Huang, Zhongzhi; Xu, Yan-Li; Li, Fangyao; Ma, Xian-Li; Chen, Yan-Yan","Visible-light-induced difunctionalization of alkynes: The synthesis of thiazoles and 1,1-dibromo-1-en-3-ynes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02300","","x-ray","0.71073","MoKα","","0.089","0.0707","","","0.1327","0.1411","","","","","","1.086","","","","has coordinates","231179","2020-10-21","18:00:00",""
"4036098","7.7239","0.0002","21.0831","0.0007","23.9339","0.0009","90","","90","","90","","3897.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Bera, Tishyasoumya; Singh, Bandana; Hamlin, Trevor A.; Sahoo, Subash C.; Saha, Jaideep","One-Step Assembly of Functionalized Morpholinones and 1,4-Oxazepane-3-ones via [3+3]- and [3+4]-Annulation of Aza-oxyallyl Cation and Amphoteric Compounds.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02269","","x-ray","0.71073","MoKα","","0.1579","0.0807","","","0.1928","0.2399","","","","","","0.956","","","","has coordinates","231180","2020-10-21","18:00:00",""
"4036099","11.9336","0.0006","13.6523","0.0004","16.6906","0.0007","90","","109.019","0.005","90","","2570.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C112 H104 N8 O24 S4 -","4","1","","Wang, Yue; Jia, Siming; Li, Er-Qing; Duan, Zheng","Phosphine/Palladium Cooperative Catalysis: (4 + 3) Annulations of Morita-Baylis-Hillman Carbonates and Vinyl Benzoxazinanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02349","","x-ray","1.54184","CuKα","","0.0635","0.0459","","","0.1141","0.1261","","","","","","1.027","","","","has coordinates,has disorder","231181","2020-10-21","18:00:00",""
"4036100","14.1794","0.0006","7.3034","0.0003","12.8276","0.0004","90","","107.358","0.002","90","","1267.9","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","DBR108_a_a","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Anif Pasha, Mohammed; Krishna, A. Vamshi; Ashok, Etikala; Ramachary, Dhevalapally Buchi","Organocatalytic Reductive Propargylation: Scope and Applications.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02415","","x-ray","0.71073","MoKα","","0.0849","0.0484","","","0.1013","0.1129","","","","","","1.084","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036101","11.298","0.003","15.006","0.003","9.832","0.002","90","","100.36","0.004","90","","1639.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br O -","- C23 H15 Br O -","- C92 H60 Br4 O4 -","4","1","","Hinkle, Robert James; Speer, Daniel John; Carnell, Brendon Baxter; Kanter, Bethany Lynch; Pike, Robert D.","Mild, Modular and Convergent Synthesis of Helical Naphtho[2,1-c]chromenes via a Multistep Cyclization/aromatization Cascade Sequence.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02058","","","0.71073","MoKα","","0.0236","0.0214","","","0.0579","0.0592","","","","","","1.067","","","","has coordinates","231846","2020-10-21","18:00:00",""
"4037534","8.6886","0.0005","12.9245","0.0009","17.456","0.0012","90","","99.871","0.005","90","","1931.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","","Elagamy, Amr; Shaw, Ranjay; Panwar, Rahul; Shally, ?; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of Highly Functionalized Spirobutenolides via a Nitroalkane-Mediated Ring Contraction of 2-Oxobenzo[ h]chromenes through Denitration.","The Journal of organic chemistry","2019","84","3","1154","1161","10.1021/acs.joc.8b02257","","","0.71073","MoKα","","0.1047","0.0741","","","0.2005","0.2222","","","","","","0.977","","","","has coordinates","236291","2020-10-21","18:00:00",""
"4037541","26.18193","0.00018","9.22358","0.00007","16.79917","0.00011","90","","107.151","0.0007","90","","3876.44","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N5 O7 -","- C36 H57 N5 O7 -","- C144 H228 N20 O28 -","4","1","","Hou, Xue-Mei; Li, Yue-Ying; Shi, Yun-Wei; Fang, Yao-Wei; Chao, Rong; Gu, Yu-Cheng; Wang, Chang-Yun; Shao, Chang-Lun","Integrating Molecular Networking and <sup>1</sup>H NMR To Target the Isolation of Chrysogeamides from a Library of Marine-Derived Penicillium Fungi.","The Journal of organic chemistry","2019","84","3","1228","1237","10.1021/acs.joc.8b02614","","","1.54184","CuKα","","0.0432","0.0425","","","0.1483","0.1518","","","","","","0.748","","","","has coordinates","236304","2020-10-21","18:00:00",""
"4037542","4.84176","0.00019","18.7757","0.0005","21.9789","0.0009","90","","94.933","0.004","90","","1990.64","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br2 N O4 -","- C21 H23 Br2 N O4 -","- C84 H92 Br8 N4 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71075","MoKα","","0.0454","0.0331","","","0.0665","0.0708","","","","","","1.022","","","","has coordinates,has disorder","236306","2020-10-21","18:00:00",""
"4037543","13.6477","0.0009","5.6446","0.0003","7.713","0.0005","90","","91.024","0.006","90","","594.08","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0952","0.0614","","","0.1332","0.1515","","","","","","1.038","","","","has coordinates,has disorder","236308","2020-10-21","18:00:00",""
"4037544","12.7322","0.0005","7.4012","0.0003","21.0629","0.0008","90","","104.743","0.004","90","","1919.49","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0692","0.0492","","","0.108","0.1176","","","","","","1.041","","","","has coordinates","236310","2020-10-21","18:00:00",""
"4037545","7.5809","0.0002","9.1799","0.0003","16.1134","0.0004","104.725","0.003","97.399","0.002","97.091","0.002","1061.15","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C52 H54 N2 O8 -","2","1","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0548","0.0435","","","0.0987","0.1053","","","","","","1.025","","","","has coordinates","236311","2020-10-21","18:00:00",""
"4037546","8.2051","0.0002","14.4648","0.0004","17.5416","0.0005","70.834","0.003","81.487","0.002","82.58","0.002","1937.62","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi","Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties.","The Journal of organic chemistry","2019","84","3","1257","1275","10.1021/acs.joc.8b02648","","","0.71073","MoKα","","0.0906","0.0564","","","0.1229","0.1393","","","","","","1.025","","","","has coordinates","236313","2020-10-21","18:00:00",""
"4037547","10.1855","0.0007","10.7629","0.0007","12.0612","0.0008","88.263","0.005","75.335","0.006","79.388","0.005","1257.08","0.15","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N O4 S -","- C27 H30 Br N O4 S -","- C54 H60 Br2 N2 O8 S2 -","2","1","","Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min","Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers.","The Journal of organic chemistry","2019","84","3","1605","1613","10.1021/acs.joc.8b02712","","x-ray","0.71073","MoKα","","0.1071","0.0592","","","0.1291","0.1518","","","","","","1.047","","","","has coordinates","236316","2020-10-21","18:00:00",""
"4037548","10.7773","0.0006","11.0593","0.0009","12.3513","0.0011","102.885","0.007","108.768","0.006","102.871","0.006","1287.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N O4 S -","- C27 H30 Br N O4 S -","- C54 H60 Br2 N2 O8 S2 -","2","1","","Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min","Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers.","The Journal of organic chemistry","2019","84","3","1605","1613","10.1021/acs.joc.8b02712","","","0.71073","MoKα","","0.0942","0.0573","","","0.1305","0.1466","","","","","","1.04","","","","has coordinates","236317","2020-10-21","18:00:00",""
"4037549","11.923","0.002","18.737","0.004","19.416","0.004","90","","90","","90","","4337.6","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C192 H248 N8 O32 -","8","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.074","0.0621","","","0.1764","0.1876","","","","","","1.046","","","","has coordinates","236319","2020-10-21","18:00:00",""
"4037550","7.9305","0.0016","8.026","0.0016","10.9367","0.0014","73.997","0.014","75.084","0.014","62.95","0.02","588.8","0.2","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C28 H29 N O5 -","1","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.0639","0.0573","","","0.1398","0.1529","","","","","","0.9614","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037551","8.9323","0.0018","5.448","0.0011","38.734","0.008","90","","94.87","0.03","90","","1878.1","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.108","0.0854","","","0.2358","0.2588","","","","","","1.06","","","","has coordinates","236323","2020-10-21","18:00:00",""
"4037552","11.6427","0.0006","26.7219","0.0012","16.0346","0.0008","90","","100.857","0.002","90","","4899.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C232 H216 N8 O40 -","8","2","","Varshnaya, Rohit Kumar; Banerjee, Prabal","Lewis Acid-Catalyzed [3+3] Annulation of Donor-Acceptor Cyclopropanes and Indonyl Alcohols: One Step Synthesis of Substituted Carbazoles with Promising Photophysical Properties.","The Journal of organic chemistry","2019","84","3","1614","1623","10.1021/acs.joc.8b02733","","","0.71073","MoKα","","0.1553","0.0825","","","0.1491","0.1751","","","","","","1.095","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037553","19.56339","0.00013","7.68013","0.00007","16.52524","0.00011","90","","93.4366","0.0006","90","","2478.44","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0393","0.0379","","","0.1036","0.1042","","","","","","1.066","","","","has coordinates","236327","2020-10-21","18:00:00",""
"4037554","8.79462","0.00016","14.7893","0.0002","19.5287","0.0003","90","","90","","90","","2540.03","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0484","0.0456","","","0.1197","0.1217","","","","","","1.071","","","","has coordinates","236328","2020-10-21","18:00:00",""
"4037555","8.3634","0.001","9.4209","0.001","10.7953","0.0012","95.936","0.004","94.797","0.004","115.518","0.003","755.66","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C34 H44 N4 O4 -","2","1","","Chithanna, Sivanna; Yang, Ding-Yah","Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines.","The Journal of organic chemistry","2019","84","3","1339","1347","10.1021/acs.joc.8b02819","","x-ray","0.71073","MoKα","","0.054","0.044","","","0.1176","0.1259","","","","","","1.049","","","","has coordinates","236330","2020-10-21","18:00:00",""
"4037556","8.2655","0.0007","9.2448","0.0008","10.7843","0.0009","102.597","0.003","109.073","0.003","105.449","0.003","707.31","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Chithanna, Sivanna; Yang, Ding-Yah","Multicomponent Synthesis of 1,3-Diketone-Linked N-Substituted Pyrroles, Pyrrolo[1,2- a]pyrazines, Pyrrolo[1,4]diazepines, and Pyrrolo[1,4]diazocines.","The Journal of organic chemistry","2019","84","3","1339","1347","10.1021/acs.joc.8b02819","","x-ray","0.71073","MoKα","","0.0407","0.0362","","","0.0976","0.1022","","","","","","0.968","","","","has coordinates","236333","2020-10-21","18:00:00",""
"4037557","12.8547","0.0016","16.926","0.002","7.0925","0.0009","90","","102.502","0.003","90","","1506.6","0.3","153","","153.08","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying","Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","3","1348","1362","10.1021/acs.joc.8b02820","","","1.54178","CuKα","","0.0998","0.0989","","","0.2813","0.2819","","","","","","1.087","","","","has coordinates","236335","2020-10-21","18:00:00",""
"4037558","12.6874","0.0003","7.3742","0.0002","27.9567","0.0007","90","","98.825","0.002","90","","2584.65","0.11","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying","Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.","The Journal of organic chemistry","2019","84","3","1348","1362","10.1021/acs.joc.8b02820","","x-ray","1.54184","CuKα","","0.0737","0.0625","","","0.1687","0.1789","","","","","","1.07","","","","has coordinates","236336","2020-10-21","18:00:00",""
"4037559","23.323","0.0002","25.0931","0.0002","7.6786","0.0001","90","","90","","90","","4493.87","0.08","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C100 H122 O25 -","- C100 H120 O25 -","- C200 H240 O50 -","2","0.5","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0562","0.0526","","","0.1599","0.1637","","","","","","1.056","","","","has coordinates,has disorder","236338","2020-10-21","18:00:00",""
"4037560","8.9473","0.0008","13.6391","0.0012","9.5262","0.0008","90","","105.518","0.005","90","","1120.13","0.17","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C52 H64 O12 -","2","1","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","","1.54178","CuKα","","0.0332","0.0332","","","0.0876","0.0876","","","","","","1.057","","","","has coordinates","236340","2020-10-21","18:00:00",""
"4037561","7.9644","0.0001","10.5027","0.0001","12.5674","0.0002","91.463","0.001","90.407","0.001","100.694","0.001","1032.56","0.02","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C25 H29 O6.5 -","- C25 H29 O6.5 -","- C50 H58 O13 -","2","2","","Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29.","The Journal of organic chemistry","2019","84","3","1534","1541","10.1021/acs.joc.8b02830","","x-ray","1.54184","CuKα","","0.0312","0.0311","","","0.082","0.082","","","","","","1.062","","","","has coordinates","236342","2020-10-21","18:00:00",""
"4037562","14.3428","0.0012","9.8491","0.0008","15.27","0.0013","90","","94.761","0.002","90","","2149.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Zhao, Yulei; Zhang, Zheng; Liu, Xu; Wang, Zongkang; Cao, Ziping; Tian, Laijin; Yue, Mingbo; You, Jinmao","TBAF-Catalyzed O-Nucleophilic Cyclization of Enaminones: A Process for the Synthesis of Dihydroisobenzofuran Derivatives.","The Journal of organic chemistry","2019","84","3","1379","1386","10.1021/acs.joc.8b02842","","","0.71073","MoKα","","0.1239","0.049","","","0.1364","0.1948","","","","","","0.911","","","","has coordinates","236344","2020-10-21","18:00:00",""
"4037563","11.5522","0.0007","13.2766","0.0006","11.993","0.0005","90","","100.086","0.005","90","","1810.99","0.16","203.01","0.1","203.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H30 F2 N8 O14 -","- C36 H30 F2 N8 O14 -","- C72 H60 F4 N16 O28 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0599","0.0523","","","0.1356","0.143","","","","","","1.038","","","","has coordinates","236347","2020-10-21","18:00:00",""
"4037564","17.54012","0.00018","27.5274","0.0002","24.5429","0.0002","90","","102.616","0.0009","90","","11564","0.18","250","0.1","250","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N12 O8 -","- C56 H80 N12 O8 -","- C448 H640 N96 O64 -","8","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.0928","0.0845","","","0.2597","0.274","","","","","","1.04","","","","has coordinates,has disorder","236349","2020-10-21","18:00:00",""
"4037565","19.8342","0.0004","20.3805","0.0005","24.4985","0.0005","107.004","0.002","100.146","0.0018","107.036","0.002","8675.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C168 H240 N36 O24 -","- C168 H240 N36 O24 -","- C336 H480 N72 O48 -","2","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Varlot, Alexandre; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Azacalixquinarenes: From Canonical to (Poly-)Zwitterionic Macrocycles.","The Journal of organic chemistry","2019","84","3","1387","1397","10.1021/acs.joc.8b02847","","x-ray","1.54184","CuKα","","0.1857","0.1508","","","0.362","0.3775","","","","","","2.462","","","","has coordinates,has disorder","236351","2020-10-21","18:00:00",""
"4037566","7.5751","0.0006","15.3923","0.0012","14.2928","0.0013","90","","90.148","0.008","90","","1666.5","0.2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Chen, Zhengwang; Liang, Pei; Ma, Xiaoyue; Luo, Haiqing; Xu, Guohai; Liu, Tanggao; Wen, Xiaowei; Zheng, Jing; Ye, Hui","Catalyst-Free Annulation of 2-Pyridylacetates and Ynals with Molecular Oxygen: An Access to 3-Acylated Indolizines.","The Journal of organic chemistry","2019","84","3","1630","1639","10.1021/acs.joc.8b02883","","","0.71073","MoKα","","0.0733","0.0549","","","0.1247","0.1368","","","","","","1.046","","","","has coordinates","236353","2020-10-21","18:00:00",""
"4037567","11.156","0.0006","13.669","0.0007","15.093","0.0008","106.191","0.002","100.862","0.002","108.089","0.002","2003.41","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H17.5 Cl1.5 N O5 -","- C20.5 H17.5 Cl1.5 N O5 -","- C82 H70 Cl6 N4 O20 -","4","2","","Hu, Zhongyan; Zhang, Lingjuan; Li, Juanjuan; Yang, Wenhui; Wei, Qianwen; Xu, Xianxiu","Silver-Catalyzed Nucleophilic Addition of β-Dicarbonyls to Isocyano Group: Facile Access to Indolin-3-ol Derivatives.","The Journal of organic chemistry","2019","84","3","1563","1569","10.1021/acs.joc.8b03058","","","0.71069","MoKα","","0.1142","0.0783","","","0.2048","0.2462","","","","","","1.051","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037568","7.3816","0.0002","18.2822","0.0005","25.5946","0.0008","90","","90","","90","","3454.04","0.17","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0672","0.0547","","","0.1246","0.1334","","","","","","1.091","","","","has coordinates,has disorder","236356","2020-10-21","18:00:00",""
"4037569","8.8482","0.0004","9.1945","0.0005","22.0415","0.0009","81.339","0.004","78.471","0.004","73.473","0.004","1676.01","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","2","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0736","0.0625","","","0.1436","0.1498","","","","","","1.137","","","","has coordinates,has disorder","236358","2020-10-21","18:00:00",""
"4037570","7.1881","0.0019","16.816","0.006","10.435","0.004","90","","99.549","0.012","90","","1243.9","0.7","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Modha, Sachin G.; Pöthig, Alexander; Dreuw, Andreas; Bach, Thorsten","[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope.","The Journal of organic chemistry","2019","84","3","1139","1153","10.1021/acs.joc.8b03144","","x-ray","1.54178","CuKα","","0.0356","0.0333","","","0.0815","0.0832","","","","","","1.06","","","","has coordinates","236360","2020-10-21","18:00:00",""
"4037571","9.338","0.0004","15.7753","0.0007","8.6495","0.0004","90","","112.182","0.002","90","","1179.85","0.09","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Modha, Sachin G.; Pöthig, Alexander; Dreuw, Andreas; Bach, Thorsten","[6π] Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope.","The Journal of organic chemistry","2019","84","3","1139","1153","10.1021/acs.joc.8b03144","","x-ray","0.71073","MoKα","","0.0365","0.0318","","","0.0751","0.0783","","","","","","1.074","","","","has coordinates","236361","2020-10-21","18:00:00",""
"4037572","20.541","0.0012","5.8794","0.0004","10.1091","0.0006","90","","99.746","0.003","90","","1203.24","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Muñoz-Molina, José María; Pérez, Pedro J","Ruthenium-Catalyzed Heck-Type Alkenylation of Alkyl Bromides.","The Journal of organic chemistry","2019","84","12","8289","8296","10.1021/acs.joc.9b00898","","x-ray","0.71073","MoKα","","0.0711","0.0507","","","0.1341","0.1464","","","","","","1.068","","","","has coordinates","236366","2020-10-21","18:00:00",""
"4037573","10.0433","0.0001","17.29","0.0001","20.8133","0.0001","109.894","0.001","97.03","0.001","101.883","0.001","3252.13","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br N2 O5.5 S -","- C38 H30 Br N2 O5.5 S -","- C152 H120 Br4 N8 O22 S4 -","4","2","","Li, Xiaoping; Yan, Juzhang; Qin, Jialiang; Lin, Shilin; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective Synthesis of Benzofuran-Fused N-Heterocycles via Chiral Squaramide Catalyzed [4 + 2] Cyclization of Azadienes with Azlactones.","The Journal of organic chemistry","2019","84","12","8035","8045","10.1021/acs.joc.9b00911","","","1.54178","CuKα","","0.034","0.0271","","","0.0676","0.073","","","","","","1.024","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037574","9.6195","0.0003","10.6241","0.0004","12.2816","0.0005","79.29","0.001","84.563","0.001","71.676","0.001","1169.87","0.07","150","2","149.98","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Chen, Lu-Lu; Zhang, Jing-Wen; Yang, Wan-Wan; Fu, Ji-Ya; Zhu, Jun-Yan; Wang, Yan-Bo","Synthesis of 1-Cyano-3-acylnaphthalenes via Formal [4+2] Benzannulation of 2-(2-Alkynylphenyl)acetonitriles and Alkynones.","The Journal of organic chemistry","2019","84","12","8090","8099","10.1021/acs.joc.9b00948","","","0.71073","MoKα","","0.0619","0.0453","","","0.1056","0.1153","","","","","","1.037","","","","has coordinates","236371","2020-10-21","18:00:00",""
"4037575","15.5288","0.0004","15.8554","0.0004","9.4331","0.0003","90","","101.848","0.003","90","","2273.09","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Chen, Lu-Lu; Zhang, Jing-Wen; Yang, Wan-Wan; Fu, Ji-Ya; Zhu, Jun-Yan; Wang, Yan-Bo","Synthesis of 1-Cyano-3-acylnaphthalenes via Formal [4+2] Benzannulation of 2-(2-Alkynylphenyl)acetonitriles and Alkynones.","The Journal of organic chemistry","2019","84","12","8090","8099","10.1021/acs.joc.9b00948","","x-ray","1.54184","CuKα","","0.0656","0.0498","","","0.1284","0.144","","","","","","1.041","","","","has coordinates","236372","2020-10-21","18:00:00",""
"4037576","5.7414","0.0001","16.5338","0.0004","23.6498","0.0006","90","","90","","90","","2245.01","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br O3 S Se -","- C23 H23 Br O3 S Se -","- C92 H92 Br4 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0484","0.0351","","","0.0595","0.0636","","","","","","1.034","","","","has coordinates","236374","2020-10-21","18:00:00",""
"4037577","5.76106","0.00011","16.4713","0.0004","23.1761","0.0006","90","","90","","90","","2199.23","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O3 S Se -","- C24 H24 O3 S Se -","- C96 H96 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0566","0.0393","","","0.0775","0.0839","","","","","","1.064","","","","has coordinates","236375","2020-10-21","18:00:00",""
"4037578","9.9188","0.0002","9.9188","0.0002","74.552","0.002","90","","90","","120","","6352","0.2","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C25 H21 F3 N2 O -","- C25 H21 F3 N2 O -","- C300 H252 F36 N24 O12 -","12","2","","Wang, Xin-Wei; Chen, Mu-Wang; Wu, Bo; Wang, Baomin; Zhou, Yong-Gui","Chiral Phosphoric Acid-Catalyzed Synthesis of Fluorinated 5,6-Dihydroindolo[1,2- c]quinazolines with Quaternary Stereocenters.","The Journal of organic chemistry","2019","84","12","8300","8308","10.1021/acs.joc.9b00985","","","1.54178","CuKα","","0.0602","0.0432","","","0.0969","0.1092","","","","","","1.041","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037579","6.4612","0.0002","11.7915","0.0004","15.9166","0.0005","90","","100.808","0.002","90","","1191.13","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0458","0.0381","","","0.0949","0.0993","","","","","","1.115","","","","has coordinates","236379","2020-10-21","18:00:00",""
"4037580","8.7751","0.0004","10.6282","0.0005","10.8238","0.0005","99.719","0.002","100.404","0.002","98.862","0.002","960.72","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0587","0.051","","","0.1218","0.1269","","","","","","1.128","","","","has coordinates","236380","2020-10-21","18:00:00",""
"4037581","9.5833","0.0004","12.0583","0.0005","13.2284","0.0006","103.165","0.002","101.617","0.002","90.07","0.002","1456.21","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","2","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.1579","0.0964","","","0.2553","0.2765","","","","","","1.045","","","","has coordinates","236382","2020-10-21","18:00:00",""
"4037582","7.8437","0.0002","11.9146","0.0003","20.1565","0.0006","90","","90","","90","","1883.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0366","0.0326","","","0.0781","0.0807","","","","","","1.105","","","","has coordinates","236383","2020-10-21","18:00:00",""
"4037583","5.5475","0.0012","22.29","0.005","8.951","0.002","90","","92.56","0.003","90","","1105.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Zhao, Peng; Wu, Xia; Geng, Xiao; Wang, Can; Zhou, You; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>/PhI(OAc)<sub>2</sub> Copromoted Amination Reaction: Synthesis of α-Dicarbonylsulfoximine Derivatives by Incorporating an Intact Dimethyl Sulfoxide.","The Journal of organic chemistry","2019","84","12","8322","8329","10.1021/acs.joc.9b01160","","","0.71073","MoKα","","0.051","0.0457","","","0.1431","0.1468","","","","","","1.095","","","","has coordinates","236385","2020-10-21","18:00:00",""
"4037584","18.901","0.003","18.901","0.003","17.635","0.003","90","","90","","90","","6300.1","1.8","113","2","113","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C42 H30 F2 Ge -","- C42 H30 F2 Ge -","- C336 H240 F16 Ge8 -","8","0.5","","Okamura, Kazuma; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Gear Slippage in Molecular Bevel Gears Bridged with a Group 14 Element.","The Journal of organic chemistry","2019","84","22","14636","14643","10.1021/acs.joc.9b02214","","","0.71073","MoKα","","0.0618","0.0493","","","0.1335","0.1393","","","","","","1.059","","","","has coordinates","236389","2020-10-21","18:00:00",""
"4037588","14.7408","0.0007","9.3327","0.0005","20.6545","0.001","90","","94.134","0.002","90","","2834.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N8 O19 U2 -","- C16 H22 N8 O19 U2 -","- C64 H88 N32 O76 U8 -","4","0.5","","Decato, Daniel A.; Berryman, Orion B.","Structural and Computational Characterization of a Bridging Zwitterionic-Amidoxime Uranyl Complex.","Organic chemistry frontiers : an international journal of organic chemistry","2019","6","7","1038","1043","10.1039/C9QO00267G","","x-ray","0.71073","MoKα","","0.0243","0.0199","","","0.0409","0.0423","","","","","","1.154","","","","has coordinates","238135","2020-10-21","18:00:00",""
"4037589","11.1405","0.0016","14.6954","0.0016","15.232","0.002","89.364","0.005","79.407","0.004","75.874","0.004","2375.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O4 -","- C25 H30.5 N2 O4 -","- C100 H122 N8 O16 -","4","2","","Vinayagam, Varathan; Mariappan, Arumugam; Jana, Mrinmoy; Jeganmohan, Masilamani","Rhodium(III)-Catalyzed Diastereoselective Ring-Opening of 7-Azabenzonorbornadienes with Aromatic Ketoximes: Synthesis of Benzophenanthridine Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02582","","","0.71073","MoKα","","0.1138","0.0609","","","0.1617","0.1996","","","","","","1.062","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037590","7.3","0.0015","13.91","0.003","14.63","0.003","89.86","0.03","87.29","0.03","81.82","0.03","1468.8","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H30 O4 -","- C46 H30 O4 -","- C92 H60 O8 -","2","1","","Ikemoto, Koki; Tokuhira, Toshiki; Uetani, Akari; Harabuchi, Yu; Sato, Sota; Maeda, Satoshi; Isobe, Hiroyuki","Fluorescence enhancement of aromatic macrocycles by lowering excited singlet state energies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02379","","","0.85","synchrotron","","0.0517","0.0402","","","0.1171","0.1215","","","","","","1.018","","","","has coordinates","242384","2020-10-21","18:00:00",""
"4037591","16.242","0.003","8.6494","0.0013","30.796","0.005","90","","91.409","0.003","90","","4325","1.2","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H27 Cl3 F6 N6 -","- C53 H27 Cl3 F6 N6 -","- C212 H108 Cl12 F24 N24 -","4","1","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.1297","0.0559","","","0.1097","0.1375","","","","","","0.968","","","","has coordinates,has disorder","242385","2020-10-21","18:00:00",""
"4037592","13.7267","0.0003","16.6061","0.0003","18.4124","0.0003","90","","106.634","0.008","90","","4021.4","0.2","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl3 F6 N4 -","- C47 H37 Cl3 F6 N4 -","- C188 H148 Cl12 F24 N16 -","4","1","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71075","MoKα","","0.0646","0.056","","","0.1388","0.144","","","","","","1.025","","","","has coordinates","242386","2020-10-21","18:00:00",""
"4037593","5.02838","0.00014","15.2818","0.0005","17.3664","0.0006","90","","97.708","0.007","90","","1322.42","0.08","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F6 N4 -","- C38 H20 F6 N4 -","- C76 H40 F12 N8 -","2","0.5","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71075","MoKα","","0.0598","0.0415","","","0.0867","0.0929","","","","","","1.046","","","","has coordinates","242387","2020-10-21","18:00:00",""
"4037594","26.063","0.009","7.813","0.003","30.718","0.01","90","","94.713","0.006","90","","6234","4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 F12 N4 -","- C40 H18 F12 N4 -","- C320 H144 F96 N32 -","8","2","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.2822","0.1068","","","0.1559","0.2525","","","","","","0.991","","","","has coordinates","242388","2020-10-21","18:00:00",""
"4037595","17.947","0.0016","7.9948","0.0007","17.5113","0.0016","90","","116.963","0.0016","90","","2239.5","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 F6 N6 -","- C60 H42 F6 N6 -","- C120 H84 F12 N12 -","2","0.5","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.0919","0.054","","","0.1485","0.1731","","","","","","1.008","","","","has coordinates","242389","2020-10-21","18:00:00",""
"4037596","16.1709","0.0011","16.1709","0.0011","53.531","0.004","90","","90","","90","","13998.2","1.7","90","","90","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C50 H36 Cl6 F12 N4 -","- C50 H36 Cl6 F12 N4 -","- C600 H432 Cl72 F144 N48 -","12","0.75","","Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko","Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02386","","","0.71073","MoKα","","0.072","0.0627","","","0.1583","0.167","","","","","","1.036","","","","has coordinates,has disorder","242390","2020-10-21","18:00:00",""
"4037616","19.766","0.004","9.0401","0.0015","4.6202","0.0008","90","","90","","90","","825.6","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br F3 -","- C8 H6 Br F3 -","- C32 H24 Br4 F12 -","4","0.5","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.0386","0.027","","","0.0566","0.0597","","","","","","1.054","","","","has coordinates","243745","2020-10-21","18:00:00",""
"4037617","23.336","0.008","7.0039","0.0017","17.87","0.006","90","","130.76","","90","","2212.3","1.2","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H46.52 Cl5 F12 K N4 O21.27 -","- C24 H46.524 Cl5 F12 K N4 O21.262 -","- C48 H93.048 Cl10 F24 K2 N8 O42.524 -","2","0.5","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.0948","0.0755","","","0.1904","0.2064","","","","","","1.072","","","","has coordinates,has disorder","243746","2020-10-21","18:00:00",""
"4037618","5.9984","0.0018","12.944","0.006","13.935","0.006","66.928","0.008","80.968","0.01","83.515","0.009","981.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 F3 O2 -","- C10 H13 F3 O2 -","- C40 H52 F12 O8 -","4","2","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.1308","0.0596","","","0.1217","0.15","","","","","","0.99","","","","has coordinates","243747","2020-10-21","18:00:00",""
"4037619","9.4","0.004","6.986","0.004","10.481","0.006","90","","113.12","0.02","90","","633","0.6","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 F3 N O -","- C5 H6 F3 N O -","- C20 H24 F12 N4 O4 -","4","1","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.051","0.0372","","","0.0856","0.0947","","","","","","1.059","","","","has coordinates","243748","2020-10-21","18:00:00",""
"4037620","6.189","0.002","10.596","0.004","21.448","0.007","90","","90.847","0.011","90","","1406.4","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 Cl F3 N -","- C4 H7 Cl F3 N -","- C32 H56 Cl8 F24 N8 -","8","2","","Bugera, Maksym; Trofymchuk, Serhii; Tarasenko, Karen; Zaporozhets, Olga; Pustovit, Yurii; Mykhailiuk, Pavel K.","Deoxofluorination of Aliphatic Carboxylic Acids: a Route to Trifluoromethyl-Substituted Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02596","","","0.71073","MoKα","","0.1092","0.0609","","","0.141","0.1606","","","","","","1.046","","","","has coordinates,has disorder","243749","2020-10-21","18:00:00",""
"4037621","10.48162","0.00016","25.1927","0.0003","10.92227","0.00018","90","","112.693","0.0019","90","","2660.87","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O2 Si -","- C34 H28 O2 Si -","- C136 H112 O8 Si4 -","4","1","","Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong","Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02383","","x-ray","1.54184","CuKα","","0.0381","0.0346","","","0.0887","0.0907","","","","","","1.052","","","","has coordinates","243750","2020-10-21","18:00:00",""
"4037622","11.3399","0.0003","13.8595","0.0004","22.0282","0.0006","99.791","0.002","101.6","0.002","99.044","0.002","3275.62","0.16","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 Si -","- C40 H40 Si -","- C160 H160 Si4 -","4","2","","Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong","Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02383","","x-ray","1.54184","CuKα","","0.0688","0.0526","","","0.1364","0.1462","","","","","","1.056","","","","has coordinates,has disorder","243751","2020-10-21","18:00:00",""
"4037623","7.2092","0.0001","10.1801","0.0002","17.1836","0.0004","81.981","0.002","79.04","0.002","82.22","0.002","1218.29","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 F2 Si -","- C32 H22 F2 Si -","- C64 H44 F4 Si2 -","2","1","","Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong","Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02383","","x-ray","1.54184","CuKα","","0.0347","0.0335","","","0.0884","0.0893","","","","","","1.034","","","","has coordinates","243752","2020-10-21","18:00:00",""
"4037624","12.066","0.003","10.127","0.003","18.528","0.005","90","","90.135","0.018","90","","2264","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N2 O3 S -","- C24 H21 Br N2 O3 S -","- C96 H84 Br4 N8 O12 S4 -","4","1","","Das, Deb K.; Kannaujiya, Vinod Kumar; Sadhu, Milon Mohan; Ray, Sumit Kumar; Singh, Vinod K.","BF3·OEt2 Catalyzed Vinyl Azides Addition to in situ Generated N-Acyl Iminium Salts: Synthesis of 3-Oxoisoindoline-1-acetamides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02127","","","0.71073","MoKα","","0.0861","0.0499","","","0.1151","0.1397","","","","","","0.983","","","","has coordinates","243802","2020-10-21","18:00:00",""
"4037625","8.094","0.0007","7.7986","0.0006","24.204","0.002","90","","94.247","0.002","90","","1523.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 -","- C18 H15 N5 -","- C72 H60 N20 -","4","1","","Tseng, Ching-Chun; Tsai, Shuo-En; Li, Sin-Min; Wong, Fung Fuh","One-Pot Acid-promoted Synthesis of 6-Aminopyrazolopyrimidines from 1<i>H</i>-Pyrazol-5-yl-<i>N</i>,<i>N</i>-dimethylformamidines or 5-Amino-1<i>H</i>-pyrazole-4-carbaldehydes with Cyanamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02653","","","0.71073","MoKα","","0.0691","0.0502","","","0.1265","0.1394","","","","","","1.064","","","","has coordinates","243803","2020-10-21","18:00:00",""
"4037626","12.8305","0.0012","9.6","0.0009","17.8131","0.0016","90","","119.99","0.003","90","","1900.3","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Yuan, Yu-Chao; Goujon, Marion; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","C-H Bond Alkylation of Cyclic Amides with Maleimides via a Site-Selective-Determining Six-Membered Ruthenacycle.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02690","","x-ray","0.71073","MoKα","","0.101","0.0872","","","0.232","0.2434","","","","","","1.147","","","","has coordinates","245136","2020-10-21","18:00:00",""
"4037627","6.1597","0.0005","21.6415","0.0017","9.9582","0.0008","90","","98.754","0.001","90","","1312.02","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl (Z)-4-(1-hydroxy-4,4-dimethyl-3-oxopent-1-en-1-yl)benzoate","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Liu, Xiaochen; Hong, Dongsub; Sapir, Netanel G.; Yang, Wen; Hersh, William H.; Leung, Pak-Hing; Yang, Dingqiao; Chen, Yu","Iron-Catalyzed Transfer Hydrogenation in Aged <i>N</i>-Methyl-2-pyrrolidone: Reductive Ring-Opening of 3,5-Disubstituted Isoxazoles and Isoxazolines.","The Journal of organic chemistry","2019","84","24","16204","16213","10.1021/acs.joc.9b02733","","","0.71073","MoKα","","0.0387","0.0362","","","0.0921","0.0942","","","","","","1.029","","","","has coordinates","246577","2020-10-21","18:00:00",""
"4037631","14.2282","0.0014","9.0871","0.0009","16.8947","0.0016","90","","94.998","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","","0.71073","MoKα","","0.1987","0.0801","","","0.1603","0.2108","","","","","","1.01","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037632","5.757","0.004","12.135","0.008","11.539","0.007","90","","102.075","0.007","90","","788.3","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Nallasivam, Jothi Lakshmi; Chakraborty, Tushar Kanti","Titanocene(III)-Mediated 5-exo-trig Radical Cyclization: En Route to Spirooxindole-Based Tetrahydrofuran and Bicyclic Lactone.","The Journal of organic chemistry","2019","84","24","16124","16138","10.1021/acs.joc.9b02608","","x-ray","0.71073","MoKα","","0.0378","0.0347","","","0.096","0.099","","","","","","1.039","","","","has coordinates","246578","2020-10-21","18:00:00",""
"4037633","54.6587","0.0011","5.86885","0.00011","29.3845","0.0004","90","","99.241","0.002","90","","9303.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Boc-5-amino-pent-3-(E)-enoyl-NHiPr","isopropyl 5-(tert-butoxycarbonyl)aminopent-3-(E)-enoylamide","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C312 H576 N48 O72 -","24","3","","Marafon, Giulia; Moretto, Alessandro; Zanuy, David; Alemán, Carlos; Crisma, Marco; Toniolo, Claudio","Effect on the Conformation of a Terminally Blocked, (<i>E</i>) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02544","","","1.54184","CuKα","","0.0821","0.0548","","","0.1502","0.166","","","","","","1.044","","","","has coordinates","245143","2020-10-21","18:00:00",""
"4037634","5.99","0.002","8.937","0.002","17.928","0.003","88.95","0.05","87.04","0.08","80.67","0.07","945.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Boc-5-amino-2,2,5,5-tetramethyl-pent-3-(E)-enoyl-NHiPr","","","- C17 H32 N2 O3 -","- C17 H32 N2 O3 -","- C34 H64 N4 O6 -","2","1","","Marafon, Giulia; Moretto, Alessandro; Zanuy, David; Alemán, Carlos; Crisma, Marco; Toniolo, Claudio","Effect on the Conformation of a Terminally Blocked, (<i>E</i>) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02544","","","1.54178","CuKα","","0.0736","0.0692","","","0.1924","0.2017","","","","","","1.059","","","","has coordinates","245144","2020-10-21","18:00:00",""
"4037635","9.1653","0.0003","9.4255","0.0003","10.5148","0.0003","107.58","0.003","91.726","0.003","106.465","0.003","823.74","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Azidocarbonyl-5-amino-2,2,5,5-tetramethyl-pent-3-(E)-enoyl-NHiPr","","","- C13 H23 N5 O2 -","- C13 H23 N5 O2 -","- C26 H46 N10 O4 -","2","1","","Marafon, Giulia; Moretto, Alessandro; Zanuy, David; Alemán, Carlos; Crisma, Marco; Toniolo, Claudio","Effect on the Conformation of a Terminally Blocked, (<i>E</i>) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02544","","","1.54184","CuKα","","0.055","0.0523","","","0.1533","0.1567","","","","","","1.079","","","","has coordinates,has disorder","245145","2020-10-21","18:00:00",""
"4037636","6.6742","0.0002","7.4741","0.0003","16.3336","0.0006","90","","90.847","0.003","90","","814.69","0.05","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 B N -","- C24 H16 B N -","- C48 H32 B2 N2 -","2","1","","Zhang, Peng-Fei; Zhuang, Fang-Dong; Sun, Ze-Hao; Lu, Yang; Wang, Jie-Yu; Pei, Jian","Rapid Construction of Fold-Line-Shaped BN-Embedded Polycyclic Aromatic Compounds through Diels-Alder Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02956","","x-ray","0.71073","MoKα","","0.0579","0.0532","","","0.1359","0.139","","","","","","1.042","","","","has coordinates,has disorder","245146","2020-10-21","18:00:00",""
"4037637","8.2149","0.0016","6.3407","0.0013","13.524","0.003","90","","95.51","0.03","90","","701.2","0.3","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H14 B N -","- C20 H14 B N -","- C40 H28 B2 N2 -","2","1","","Zhang, Peng-Fei; Zhuang, Fang-Dong; Sun, Ze-Hao; Lu, Yang; Wang, Jie-Yu; Pei, Jian","Rapid Construction of Fold-Line-Shaped BN-Embedded Polycyclic Aromatic Compounds through Diels-Alder Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02956","","","0.71073","MoKα","","0.0663","0.0616","","","0.1529","0.1577","","","","","","1.075","","","","has coordinates","245147","2020-10-21","18:00:00",""
"4037638","18.3228","0.0009","9.5884","0.0005","19.9324","0.001","90","","92.554","0.005","90","","3498.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","1","","Long, Jinguo; Le, Liyuan; Iwasaki, Takanori; Qiu, Renhua; Kambe, Nobuaki","Copper-catalyzed amination of C(sp3)-H bonds: from anilides to indolines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02404","","x-ray","0.71073","MoKα","","0.0445","0.0394","","","0.0949","0.0986","","","","","","1.045","","","","has coordinates","245148","2020-10-21","18:00:00",""
"4037639","9.9918","0.0004","11.8706","0.0005","12.7025","0.0005","64.07","0.001","69.591","0.001","74.657","0.001","1258.62","0.09","155","2","155","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N O4 S -","- C30 H29 N O4 S -","- C60 H58 N2 O8 S2 -","2","1","","Liu, Yi-Wen; Mao, Zhuo-Ya; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Approach to Tertiary-Type β-Hydroxyl Carboxamides Through Sc(OTf)<sub>3</sub>-Catalyzed Addition of Ynamides and Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02854","","","1.54178","cukα","","0.0351","0.0349","","","0.0931","0.0933","","","","","","1.064","","","","has coordinates","245149","2020-10-21","18:00:00",""
"4037640","9.7668","0.0009","6.5552","0.0005","13.0878","0.0012","90","","102.392","0.003","90","","818.4","0.12","151","2","151","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Liu, Yi-Wen; Mao, Zhuo-Ya; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Approach to Tertiary-Type β-Hydroxyl Carboxamides Through Sc(OTf)<sub>3</sub>-Catalyzed Addition of Ynamides and Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02854","","","0.71073","mokα","","0.0444","0.0367","","","0.0801","0.0848","","","","","","1.061","","","","has coordinates","245150","2020-10-21","18:00:00",""
"4037641","10.7086","0.0003","15.3363","0.0004","19.0255","0.0005","90","","90","","90","","3124.56","0.15","153","2","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Tan, Chang-Yin; Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Xu, Peng-Fei","Asymmetric Organocatalytic [4 + 1] Annulations Involving Polarity Reversal Process: A Tandem Catalytic Approach to Highly Functionalized Spiropyrazolone Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02684","","","1.54178","CuKα","","0.0302","0.0296","","","0.0755","0.0761","","","","","","1.051","","","","has coordinates","245151","2020-10-21","18:00:00",""
"4037642","10.6986","0.0006","19.3964","0.0011","15.012","0.0008","90","","109.655","0.002","90","","2933.7","0.3","150","2","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Cl N3 O4 -","- C34 H27 Cl N3 O4 -","- C136 H108 Cl4 N12 O16 -","4","2","","Tan, Chang-Yin; Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Xu, Peng-Fei","Asymmetric Organocatalytic [4 + 1] Annulations Involving Polarity Reversal Process: A Tandem Catalytic Approach to Highly Functionalized Spiropyrazolone Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02684","","","1.54178","CuKα","","0.0306","0.0296","","","0.0732","0.074","","","","","","1.044","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4037643","5.7417","0.0009","9.3943","0.0015","27.095","0.004","90","","90","","90","","1461.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Necardo, Cristiana; Alfano, Antonella Ilenia; Del Grosso, Erika; Pelliccia, Sveva; Galli, Ubaldina; Novellino, Ettore; Meneghetti, Fiorella; Giustiniano, Mariateresa; Tron, Gian Cesare","Aryl Azides as Forgotten Electrophiles in the Van Leusen Reaction: A Multicomponent Transformation Affording 4-Tosyl-1-arylimidazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02546","","","0.71073","MoKα","","0.0403","0.0348","","","0.0875","0.0929","","","","","","1.031","","","","has coordinates","245153","2020-10-21","18:00:00",""
"4037644","10.8374","0.0009","15.4836","0.0013","18.6142","0.0015","90","","90","","90","","3123.5","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1343","0.0553","","","0.1519","0.1961","","","","","","1.032","","","","has coordinates,has disorder","245154","2020-10-21","18:00:00",""
"4037645","8.7013","0.0008","6.5826","0.0007","38.629","0.004","90","","95.329","0.002","90","","2203","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H19.5 Br Cl N O4 -","- C23 H19.5 Br Cl N O4 -","- C92 H78 Br4 Cl4 N4 O16 -","4","2","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1344","0.0859","","","0.2115","0.2286","","","","","","1.063","","","","has coordinates,has disorder","245155","2020-10-21","18:00:00",""
"4037646","12.88588","0.0002","7.93205","0.00012","23.1683","0.0004","90","","97.0468","0.0015","90","","2350.18","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Zhang, Xu; Cao, Wen-Bin; Li, Hai-Yan; Xu, Xiao-Ping; Ji, Shun-Jun","Synthesis of Polysubstituted Maleimides <i>via</i> Metal-Free Cascade Reaction of Isocyanides and α-Diazoketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02830","","","1.54184","CuKα","","0.0772","0.0642","","","0.1756","0.1902","","","","","","1.049","","","","has coordinates","245156","2020-10-21","18:00:00",""
"4037647","6.40981","0.00016","7.8759","0.0002","21.6611","0.0006","93.1783","0.0015","94.9086","0.0015","105.547","0.0015","1046.14","0.05","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N3 O4 S -","- C23 H23 N3 O4 S -","- C46 H46 N6 O8 S2 -","2","1","","Tabata, Hidetsugu; Funaki, Kaoru; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Elucidation of the Active Conformation of Antiproliferative Sulfonamides, 5<i>N</i>-Arylsulfonyl-1,5-benzodiazepin-2-ones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02833","","","1.54187","CuKα","","0.1894","0.0846","","","0.1432","0.2065","","","","","","1.173","","","","has coordinates","245157","2020-10-21","18:00:00",""
"4037648","10.3226","0.0001","10.16952","0.0001","24.1342","0.0004","90","","90","","90","","2533.51","0.05","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Tabata, Hidetsugu; Funaki, Kaoru; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Elucidation of the Active Conformation of Antiproliferative Sulfonamides, 5<i>N</i>-Arylsulfonyl-1,5-benzodiazepin-2-ones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02833","","","1.54187","CuKα","","","0.0363","","","","0.1096","","","","","","1.249","","","","has coordinates","245158","2020-10-21","18:00:00",""
"4037649","16.249","0.005","6.4275","0.0018","19.982","0.006","90","","99.581","0.012","90","","2057.8","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","jslmc415","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","x-ray","0.71073","MoKα","","0.1843","0.075","","","0.1664","0.2248","","","","","","0.959","","","","has coordinates","245159","2020-10-21","18:00:00",""
"4037650","35.4935","0.001","10.4305","0.0003","9.3331","0.0003","90","","97.7407","0.0015","90","","3423.77","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","js1mc434 - 17SLA009","","","- C21 H30 O2 -","- C21 H30 O2 -","- C168 H240 O16 -","8","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","","0.71073","MoKα","","0.0884","0.0509","","","0.1299","0.1454","","","","","","1.035","","","","has coordinates","245160","2020-10-21","18:00:00",""
"4037651","8.9003","0.0003","12.0894","0.0005","45.652","0.0018","90","","90","","90","","4912.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","jslmc1059","","","- C28 H28 Br2 O4 -","- C28 H28 Br2 O4 -","- C224 H224 Br16 O32 -","8","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","","1.54178","CuKα","","0.1383","0.0874","","","0.2157","0.2469","","","","","","1.079","","","","has coordinates","245161","2020-10-21","18:00:00",""
"4037652","16.8212","0.0012","15.5272","0.0011","6.9008","0.0005","90","","96.655","0.004","90","","1790.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C88 H96 O16 -","4","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","x-ray","1.54184","CuKα","","0.0351","0.0345","","","0.093","0.0935","","","","","","1.024","","","","has coordinates","245162","2020-10-21","18:00:00",""
"4037653","11.082","0.002","11.691","0.002","13.348","0.003","71.65","0.03","70.54","0.03","64.18","0.03","1438.1","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H41 Cl N2 O2 S -","- C31 H41 Cl N2 O2 S -","- C62 H82 Cl2 N4 O4 S2 -","2","1","","Deng, Zhiqiang; Li, Guo-Xing; He, Gang; Chen, Gong","Photoredox-Mediated Remote C(sp<sup>3</sup>)-H Heteroarylation of <i>N</i>-Alkyl Sulfonamides.","The Journal of organic chemistry","2019","84","24","15777","15787","10.1021/acs.joc.9b02502","","","0.71073","MoKα","","0.0776","0.048","","","0.1183","0.16","","","","","","0.994","","","","has coordinates","246579","2020-10-21","18:00:00",""
"4037654","10.6558","0.0002","11.2377","0.0002","19.3781","0.0004","90","","90","","90","","2320.46","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Tarannum, Saima; Sk, Sahid; Das, Subhomoy; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Stereoselective Syntheses of Highly Functionalized Imidazolidines and Oxazolidines via Ring-Opening-Cyclization of Activated Aziridines and Epoxides with Amines and Aldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02278","","","0.71073","MoKα","","0.0314","0.0285","","","0.0787","0.0893","","","","","","1.157","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037655","11.0013","0.0016","11.2543","0.0016","11.7014","0.0018","99.691","0.002","100.013","0.002","115.188","0.002","1242.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","2","","Chen, Rongxiang; Wang, Kai-Kai; Wang, Zhan-Yong; Miao, Changqing; Wang, Doudou; Zhang, An-An; Liu, Lantao","Synthesis of γ-Lactones by TBAI-Promoted Intermolecular Carboesterification of Carboxylic Acids with Alkenes and Alcohols.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02568","","","0.71073","MoKα","","0.0661","0.044","","","0.1165","0.1331","","","","","","1.012","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037656","8.471","0.003","11.434","0.005","12.271","0.005","114.971","0.012","96.921","0.012","95.275","0.012","1056","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N4 O2 -","- C26 H20 N4 O2 -","- C52 H40 N8 O4 -","2","1","","Shah, Tariq A.; De, Pinaki Bhusan; Pradhan, Sourav; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed Regioselective C2 Amidation of Indoles Using Acyl Azides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02244","","","0.71073","MoKα","","0.117","0.0695","","","0.162","0.2173","","","","","","0.9","","","","has coordinates","245166","2020-10-21","18:00:00",""
"4037657","7.2982","0.0006","9.6873","0.0008","11.2859","0.0009","103.888","0.002","100.511","0.002","92.732","0.002","758.08","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 F N4 O -","- C19 H13 F N4 O -","- C38 H26 F2 N8 O2 -","2","1","","Shah, Tariq A.; De, Pinaki Bhusan; Pradhan, Sourav; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Cp*Co(III)-Catalyzed Regioselective C2 Amidation of Indoles Using Acyl Azides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02244","","","0.71073","MoKα","","0.0513","0.0425","","","0.1217","0.1364","","","","","","1.07","","","","has coordinates","245167","2020-10-21","18:00:00",""
"4037658","11.3905","0.0002","6.8267","0.0002","18.0192","0.0004","90","","102.296","0.001","90","","1369.02","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H26 Cl N O5 -","- C33 H26 Cl N O5 -","- C66 H52 Cl2 N2 O10 -","2","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","1.54178","CuKα","","0.0496","0.0371","","","0.0708","0.076","","","","","","1.099","","","","has coordinates","245168","2020-10-21","18:00:00",""
"4037659","10.318","0.003","8.418","0.002","26.443","0.008","90","","93.828","0.004","90","","2291.6","1.1","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C120 H96 Cl4 N4 O8 -","4","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","0.71073","MoKα","","0.0966","0.0711","","","0.142","0.1505","","","","","","1.125","","","","has coordinates","245169","2020-10-21","18:00:00",""
"4037660","11.4226","0.0011","10.6852","0.0011","20.1313","0.0018","90","","104.995","0.005","90","","2373.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O7 -","- C27 H22 N2 O7 -","- C108 H88 N8 O28 -","4","1","","Zhang, Xingyu; Feng, Manli; Yang, Gaosheng; Chai, Zhuo","Sc(OTf)3-Catalyzed Chemodivergent Annulations of γ-Butyrolactone Fused Cyclopropanes with Anthranils.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02444","","","1.54178","CuKα","","0.1548","0.0659","","","0.1589","0.202","","","","","","1.017","","","","has coordinates","245170","2020-10-21","18:00:00",""
"4037661","5.0931","0.0004","11.8467","0.0008","5.4611","0.0004","90","","111.883","0.009","90","","305.76","0.04","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.0524","0.0359","","","0.0871","0.0936","","","","","","1.088","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037662","7.0167","0.0005","7.0167","0.0005","5.4894","0.0003","90","","90","","120","","234.06","0.03","173","","173","","","","","","","","","4","P 31","P 31","144","","gamma glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.0377","0.0354","","","0.0797","0.0806","","","","","","1.119","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037663","7.0145","0.0004","7.0145","0.0004","5.4826","0.0003","90","","90","","120","","233.62","0.02","173","","173","","","","","","","","","4","P 32","P 32","145","","Glycine beta","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.087","0.0813","","","0.2447","0.2475","","","","","","1.212","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037664","8.3685","0.0003","12.5338","0.0004","5.655","0.0002","90","","99.548","0.004","90","","584.93","0.04","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl glycinate hydrochloride","","- C3 H8 Cl N O2 -","- C3 H8 Cl N O2 -","- C12 H32 Cl4 N4 O8 -","4","1","","Brunner, Henri; Tsuno, Takashi; Balázs, Gábor","Chiral Selectivity in the Achiral Amino Acid Glycine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02726","","x-ray","0.71073","MoKα","","0.0583","0.0503","","","0.1502","0.1534","","","","","","1.247","","","","has coordinates","245171","2020-10-21","18:00:00",""
"4037665","10.2622","0.0014","14.125","0.002","6.684","0.0009","90","","90","","90","","968.9","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C16 H24 N40 O16 -","8","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.064","0.0377","","","0.0876","0.1001","","","","","","1.085","","","","has coordinates","245172","2020-10-21","18:00:00",""
"4037666","7.2828","0.0005","15.3529","0.0009","8.8881","0.0006","90","","96.054","0.004","90","","988.25","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N13 -","- C6 H3 N13 -","- C24 H12 N52 -","4","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0851","0.0412","","","0.0774","0.0911","","","","","","0.998","","","","has coordinates","245173","2020-10-21","18:00:00",""
"4037667","8.802","0.0005","6.9928","0.0004","11.5535","0.0007","90","","92.272","0.002","90","","710.57","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N16 O2 -","- C8 H4 N16 O2 -","- C16 H8 N32 O4 -","2","0.5","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0616","0.0389","","","0.0933","0.1043","","","","","","1.038","","","","has coordinates","245174","2020-10-21","18:00:00",""
"4037668","5.4786","0.0002","8.2604","0.0003","19.415","0.0006","90","","90","","90","","878.63","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N5 O3 S -","- C4 H9 N5 O3 S -","- C16 H36 N20 O12 S4 -","4","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0441","0.0324","","","0.0737","0.0787","","","","","","1.03","","","","has coordinates","245175","2020-10-21","18:00:00",""
"4037669","8.9974","0.0004","11.1134","0.0005","12.3498","0.0006","109.144","0.003","96.624","0.003","105.578","0.003","1095.29","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C52 H44 O12 S2 -","2","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0451","0.0379","","","0.1004","0.1058","","","","","","1.062","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037670","17.864","0.004","15.417","0.004","7.9315","0.0018","90","","90","","90","","2184.4","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 O7 S -","- C24 H28 O7 S -","- C96 H112 O28 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.05","0.0416","","","0.0894","0.0925","","","","","","1.076","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037671","10.8679","0.001","22.598","0.002","9.3473","0.0008","90","","108.664","0.004","90","","2174.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F O6 S -","- C26 H21 F O6 S -","- C104 H84 F4 O24 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0534","0.0408","","","0.1055","0.1142","","","","","","1.046","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037672","10.1806","0.0011","22.707","0.002","11.1057","0.0013","90","","107.658","0.005","90","","2446.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O6 S -","- C29 H28 O6 S -","- C116 H112 O24 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0414","0.0339","","","0.0862","0.0909","","","","","","1.049","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037673","16.7195","0.0005","15.7342","0.0005","10.2217","0.0003","90","","90.328","0.001","90","","2688.96","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O7 S -","- C30 H32 O7 S -","- C120 H128 O28 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.042","0.0334","","","0.0781","0.0854","","","","","","1.028","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037674","12.9789","0.001","12.9834","0.001","15.1869","0.0012","84.523","0.002","66.41","0.002","78.824","0.002","2300.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Cl O6 S -","- C27 H23 Cl O6 S -","- C108 H92 Cl4 O24 S4 -","4","2","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0427","0.0325","","","0.08","0.0858","","","","","","1.037","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037675","12.6557","0.0011","14.4552","0.0012","16.5189","0.0015","82.644","0.003","87.9","0.003","68.138","0.002","2781.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 O14 S2 -","- C60 H64 O14 S2 -","- C120 H128 O28 S4 -","2","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0996","0.0677","","","0.1712","0.1882","","","","","","1.069","","","","has coordinates,has disorder","245176","2020-10-21","18:00:00",""
"4037676","10.8962","0.0007","16.0021","0.0008","14.7675","0.0009","90","","103.819","0.003","90","","2500.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C104 H88 O24 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.0609","0.0447","","","0.1029","0.1106","","","","","","1.041","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037677","5.685","0.0004","15.5496","0.0013","20.7033","0.0015","90","","91.102","0.001","90","","1829.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 S2 -","- C18 H20 O4 S2 -","- C72 H80 O16 S8 -","4","1","","Fan, Jian; Zhao, Yiming; Zhang, Jitan; Xie, Meihua; Zhang, Yuzhong","Acid-Controlled Access to β-Sulfenyl Ketones and ,β-Disulfonyl Ketones by Pummerer Reaction of β-Keto Sulfones and Sulfoxides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02766","","","0.71073","MoKα","","0.0673","0.0578","","","0.1613","0.1709","","","","","","1.055","","","","has coordinates","245222","2020-10-21","18:00:00",""
"4037678","10.9523","0.0009","27.121","0.002","7.7458","0.0006","90","","121.221","0.007","90","","1967.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H18 Br N O3 -","- C23 H18 Br N O3 -","- C92 H72 Br4 N4 O12 -","4","1","","Wang, Yu-Chao; Liu, Jin-Biao; Zhou, Hongwei; Rojsitthisak, Pornchai; Qiu, Guanyinsheng; Xie, Wenlin","Ortho-Hydroxylative ipso-Cyclization of N-arylpropiolamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02590","","","0.71073","MoKα","","0.0304","0.0274","","","0.0643","0.0658","","","","","","1.007","","","","has coordinates","245287","2020-10-21","18:00:00",""
"4037679","14.642","0.004","6.9063","0.0019","18.044","0.005","90","","102.016","0.003","90","","1784.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 N O4 -","- C18 H17 Br2 N O4 -","- C72 H68 Br8 N4 O16 -","4","1","","Wang, Yu-Chao; Liu, Jin-Biao; Zhou, Hongwei; Rojsitthisak, Pornchai; Qiu, Guanyinsheng; Xie, Wenlin","Ortho-Hydroxylative ipso-Cyclization of N-arylpropiolamide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02590","","","0.71073","MoKα","","0.0472","0.0303","","","0.0645","0.0688","","","","","","1.008","","","","has coordinates","245288","2020-10-21","18:00:00",""
"4037680","7.9602","0.0002","15.4039","0.0004","12.2247","0.0003","90","","98.6554","0.0015","90","","1481.9","0.06","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S -","- C18 H14 N2 O2 S -","- C72 H56 N8 O8 S4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0636","0.0459","","0.1095","0.1025","0.1095","","","","","","0.9935","","","","has coordinates","245336","2020-10-21","18:00:00",""
"4037681","6.4446","0.0001","14.5466","0.0002","37.4103","0.0004","90","","90","","90","","3507.1","0.08","150","","150","","","","","","","","local","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0481","0.0453","","0.1043","0.1029","0.1043","","","","","","1.0424","","","","has coordinates","245337","2020-10-21","18:00:00",""
"4037682","7.1854","0.0005","10.793","0.0008","12.3568","0.0007","81.329","0.006","88.911","0.005","79.292","0.006","930.81","0.11","150","","150","","","","","","","","local","5","P -1","-P 1","2","","","","- C17 H19 Cl2 N7 O2 -","- C17 H19 Cl2 N7 O2 -","- C34 H38 Cl4 N14 O4 -","2","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.088","0.075","","0.2009","0.1905","0.2009","","","","","","0.9984","","","","has coordinates","245338","2020-10-21","18:00:00",""
"4037683","3.836","0.0001","11.6306","0.0004","32.4071","0.0011","90","","91.612","0.003","90","","1445.27","0.08","150","","150","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0516","0.0482","","0.1353","0.1318","0.1353","","","","","","1.0021","","","","has coordinates","245339","2020-10-21","18:00:00",""
"4037684","13.4569","0.0002","6.5269","0.0001","17.6639","0.0002","90","","109.247","0.0016","90","","1464.73","0.04","150","","150","","","","","","","","Research School of Chemistry","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0345","0.0321","","0.0812","0.0794","0.0812","","","","","","0.9931","","","","has coordinates","245340","2020-10-21","18:00:00",""
"4037685","13.1847","0.0002","7.5178","0.0001","16.1336","0.0002","90","","98.2249","0.0008","90","","1582.71","0.04","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 O2 S -","- C19 H13 N3 O2 S -","- C76 H52 N12 O8 S4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0409","0.0357","","0.0994","0.0958","0.0994","","","","","","0.9875","","","","has coordinates","245341","2020-10-21","18:00:00",""
"4037686","14.0236","0.0002","15.8376","0.0002","19.3464","0.0002","90","","107.46","0.0007","90","","4098.88","0.09","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C216 H168 N24 -","12","3","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0519","0.0381","","0.096","0.0883","0.096","","","","","","0.972","","","","has coordinates","245342","2020-10-21","18:00:00",""
"4037687","17.2396","0.0002","17.2396","0.0002","8.5097","0.0002","90","","90","","90","","2529.12","0.07","200","","200","","","","","","","","local","3","P -4 21 c","P -4 2n","114","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0367","0.033","","0.0843","0.0815","0.0843","","","","","","0.9965","","","","has coordinates","245343","2020-10-21","18:00:00",""
"4037688","9.5218","0.0002","8.2073","0.0002","20.3649","0.0003","90","","96.7633","0.0013","90","","1580.41","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0693","0.0443","","0.1156","0.1036","0.1156","","","","","","0.9467","","","","has coordinates","245344","2020-10-21","18:00:00",""
"4037689","5.845","0.0001","10.0578","0.0002","14.217","0.0003","90","","90","","90","","835.79","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.061","0.0428","","0.0909","0.0803","0.0909","","","","","","1.0238","","","","has coordinates","245345","2020-10-21","18:00:00",""
"4037690","16.1616","0.0006","9.5535","0.0003","18.608","0.0006","90","","90","","90","","2873.07","0.17","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C152 H104 N24 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0745","0.0457","","0.1187","0.1017","0.1187","","","","","","0.9902","","","","has coordinates","245346","2020-10-21","18:00:00",""
"4037691","63.464","0.002","6.8824","0.0001","30.4144","0.0012","90","","129.298","0.006","90","","10280.4","1","150","","150","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N7 O5 S -","- C24 H19 N7 O5 S -","- C384 H304 N112 O80 S16 -","16","2","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0472","0.0403","","0.1048","0.1003","0.1048","","","","","","0.9816","","","","has coordinates","245347","2020-10-21","18:00:00",""
"4037692","15.3482","0.0006","5.9203","0.0002","17.8258","0.0007","90","","90.31","0.003","90","","1619.73","0.11","150","","150","","","","","","","","local","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N2 O2 S -","- C18 H13 Br N2 O2 S -","- C72 H52 Br4 N8 O8 S4 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.7107","MoKα","","0.0406","0.0341","","0.0911","0.0871","0.0911","","","","","","1.0073","","","","has coordinates","245348","2020-10-21","18:00:00",""
"4037693","8.0748","0.0002","8.0842","0.0001","12.4871","0.0003","82.5503","0.0012","87.7791","0.001","67.7136","0.0012","747.83","0.03","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C18 H14 N2 O3 S -","- C18 H14 N2 O3 S -","- C36 H28 N4 O6 S2 -","2","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0397","0.0355","","0.0999","0.0966","0.0999","","","","","","0.989","","","","has coordinates","245349","2020-10-21","18:00:00",""
"4037694","9.8349","0.0002","11.6854","0.0003","17.3039","0.0003","87.6157","0.0012","86.7426","0.0014","86.4995","0.0011","1980.28","0.07","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C22 H25 N O3 S -","- C22 H25 N O3 S -","- C88 H100 N4 O12 S4 -","4","2","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0675","0.0451","","0.1091","0.1005","0.1091","","","","","","0.9807","","","","has coordinates","245350","2020-10-21","18:00:00",""
"4037695","21.002","0.003","11.9195","0.0015","8.3067","0.0011","90","","97.29","0.005","90","","2062.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O6 S -","- C24 H22 O6 S -","- C96 H88 O24 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0488","0.0383","","","0.096","0.1084","","","","","","1.053","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037696","20.5754","0.0016","11.9457","0.0008","8.2774","0.0006","90","","93.216","0.004","90","","2031.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F O6 S -","- C23 H19 F O6 S -","- C92 H76 F4 O24 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0489","0.038","","","0.0921","0.0997","","","","","","1.056","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037697","8.6975","0.0007","11.1079","0.0009","19.6779","0.0017","90","","90","","90","","1901.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br O4 S -","- C22 H17 Br O4 S -","- C88 H68 Br4 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0342","0.0283","","","0.0543","0.0561","","","","","","1.012","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037698","24.1977","0.0012","9.9696","0.0005","12.6028","0.0006","90","","90","","90","","3040.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 F3 O4 S -","- C16 H11 F3 O4 S -","- C128 H88 F24 O32 S8 -","8","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0574","0.0543","","","0.1316","0.1359","","","","","","1.039","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037699","8.3801","0.0012","9.4312","0.0012","11.0839","0.0015","97.183","0.006","105.437","0.006","113.837","0.006","745.01","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F4 O4 S -","- C16 H10 F4 O4 S -","- C32 H20 F8 O8 S2 -","2","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0489","0.0439","","","0.1125","0.1165","","","","","","1.107","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037700","10.573","0.0009","16.5389","0.0014","20.6478","0.0018","90","","90.648","0.002","90","","3610.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zhao, Yulei; Liu, Xu; Zheng, Lijun; Du, Yulan; Shi, Xinrui; Liu, Yunlin; Yan, Zhengquan; You, Jinmao; Jiang, Yuan-Ye","One-pot Methylenation-Cyclization Employing Two Molecules of CO2 with Arylamines and Enaminones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02858","","","0.71073","MoKα","","0.1012","0.0519","","","0.1367","0.1555","","","","","","1.06","","","","has coordinates","245353","2020-10-21","18:00:00",""
"4037701","8.3991","0.0006","8.9","0.0007","14.7773","0.0012","100.999","0.002","98.098","0.002","106.921","0.003","1014.46","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C48 H42 N6 O6 -","2","1","","Zhao, Yulei; Liu, Xu; Zheng, Lijun; Du, Yulan; Shi, Xinrui; Liu, Yunlin; Yan, Zhengquan; You, Jinmao; Jiang, Yuan-Ye","One-pot Methylenation-Cyclization Employing Two Molecules of CO2 with Arylamines and Enaminones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02858","","","0.71073","MoKα","","0.0845","0.0486","","","0.1089","0.1207","","","","","","1.036","","","","has coordinates,has disorder","245354","2020-10-21","18:00:00",""
"4037702","13.1789","0.0004","13.9012","0.0005","16.9206","0.0006","90","","90","","90","","3099.9","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C16 H18 B Br O2 -","- C16 H18 B Br O2 -","- C128 H144 B8 Br8 O16 -","8","1","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0832","0.0555","","","0.132","0.1491","","","","","","1.027","","","","has coordinates","245355","2020-10-21","18:00:00",""
"4037703","17.3124","0.0012","8.7717","0.0006","20.9073","0.0014","90","","90","","90","","3175","0.4","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","5 in manuscript","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C160 H96 Br16 -","8","2","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0585","0.0409","","","0.0928","0.0991","","","","","","1.033","","","","has coordinates,has disorder","245355","2020-10-21","18:00:00",""
"4037704","8.3598","0.0001","11.9459","0.0001","32.5899","0.0004","90","","90","","90","","3254.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N3 O6 -","- C15 H14 Cl N3 O6 -","- C120 H112 Cl8 N24 O48 -","8","2","","Ding, Ya-Li; Zhao, Yun-Long; Niu, Shuang-Shuo; Wu, Pei; Cheng, Ying","Asymmetric Synthesis of Multifunctionalized 2,3-Benzodiazepines by a One-pot N-Heterocyclic Carbene/Chiral Palladium Sequential Catalysis.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02693","","x-ray","1.54184","CuKα","","0.0367","0.0315","","","0.077","0.0834","","","","","","1.099","","","","has coordinates","245356","2020-10-21","18:00:00",""
"4037705","6.626","0.0007","9.2576","0.001","9.4803","0.001","86.984","0.003","81.532","0.003","88.372","0.003","574.27","0.11","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Tripathi, Krishna N.; Belal, Md; Singh, Ravi P.","Organo Photoinduced Decarboxylative Alkylation of Coumarins with N-(Acyloxy)phthalimide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b00977","","","0.71073","MoKα","","0.0922","0.0516","","","0.1359","0.173","","","","","","0.691","","","","has coordinates","245357","2020-10-21","18:00:00",""
"4037706","8.02","0.005","8.024","0.005","9.517","0.005","74.721","0.015","66.617","0.015","61.92","0.014","493.7","0.5","161","2","161","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C24 H18 N2 O4 -","2","1","","Tripathi, Krishna N.; Belal, Md; Singh, Ravi P.","Organo Photoinduced Decarboxylative Alkylation of Coumarins with N-(Acyloxy)phthalimide.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b00977","","","0.71073","MoKα","","0.1335","0.052","","","0.127","0.1938","","","","","","0.697","","","","has coordinates","245358","2020-10-21","18:00:00",""
"4037707","9.09016","0.00017","13.0151","0.0002","18.0663","0.0004","76.5013","0.0016","80.0816","0.0016","80.5167","0.0015","2029.92","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H106 Br2 F6 P2 Pd2 -","- C80 H106 Br2 F6 P2 Pd2 -","- C80 H106 Br2 F6 P2 Pd2 -","1","0.5","","Janot, Christopher; Chagnoleau, Jean-Baptiste; Halcovitch, Nathan R.; Muir, James C.; Aissa, Christophe","Palladium-Catalyzed Synthesis of α-Carbonyl-α'-(Hetero)aryl Sulfoxonium Ylides: Scope and Insight into the Mechanism.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03032","","x-ray","1.54184","CuKα","","0.0357","0.0353","","","0.0988","0.0995","","","","","","1.064","","","","has coordinates,has disorder","245406","2020-10-21","18:00:00",""
"4037708","24.575","0.007","5.6892","0.0011","32.315","0.012","90","","128.16","0.02","90","","3552","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C160 H152 N8 O24 S8 -","8","1","","Yang, Shichao; Wang, Lei; Wang, Lulu; Li, Hongji","Visible-Light Photoredox-Catalyzed Regioselective Sulfonylation of Alkenes Assisted by Oximes via [1,5]-H Migration.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02646","","","0.71073","MoKα","","0.1214","0.0551","","","0.1183","0.1485","","","","","","0.969","","","","has coordinates","245407","2020-10-21","18:00:00",""
"4037709","18.549","0.0002","15.9048","0.0002","7.709","0.0001","90","","90","","90","","2274.29","0.05","295","3","295","3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C26 H20 Br F3 N2 O -","- C26 H20 Br F3 N2 O -","- C104 H80 Br4 F12 N8 O4 -","4","1","","Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02676","","x-ray","1.54184","CuKα","","0.032","0.0286","","","0.0731","0.0761","","","","","","1.032","","","","has coordinates","245408","2020-10-21","18:00:00",""
"4037710","10.6797","0.0001","14.616","0.0001","28.3819","0.0002","90","","90","","90","","4430.26","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C208 H160 F32 N16 O16 -","8","2","","Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02676","","x-ray","1.54184","CuKα","","0.0454","0.0436","","","0.1195","0.1214","","","","","","1.035","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037711","9.639","0.003","11.716","0.004","13.177","0.005","89.481","0.004","78.344","0.004","70.108","0.004","1367.6","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 Cl N2 O6 -","- C31 H25 Cl N2 O6 -","- C62 H50 Cl2 N4 O12 -","2","1","","Zi, Quan-Xing; Yang, Chang-Long; Li, Kun; Luo, Qin; Lin, Jun; Yan, Sheng-Jiao","Multicomponent cascade reaction by metal-free aerobic oxidation for synthesis of highly functionalized 2-amino-4-cumarinyl-5-arylpyrroles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02063","","","0.71073","MoKα","","0.0897","0.0494","","","0.1063","0.1224","","","","","","1.019","","","","has coordinates","245410","2020-10-21","18:00:00",""
"4037712","8.589","0.002","15.353","0.004","22.146","0.006","90","","90","","90","","2920.3","1.3","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 Cl F2 N2 O5 -","- C29 H19 Cl F2 N2 O5 -","- C116 H76 Cl4 F8 N8 O20 -","4","1","","Zi, Quan-Xing; Yang, Chang-Long; Li, Kun; Luo, Qin; Lin, Jun; Yan, Sheng-Jiao","Multicomponent cascade reaction by metal-free aerobic oxidation for synthesis of highly functionalized 2-amino-4-cumarinyl-5-arylpyrroles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02063","","","0.71073","MoKα","","0.185","0.1082","","","0.2631","0.2952","","","","","","1.587","","","","has coordinates,has disorder","245411","2020-10-21","18:00:00",""
"4037713","12.2966","0.0013","6.8639","0.0005","18.5829","0.0015","90","","90","","90","","1568.4","0.2","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H24 O -","- C21 H24 O -","- C84 H96 O4 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.0954","0.0645","","","0.1396","0.1683","","","","","","1.05","","","","has coordinates","245412","2020-10-21","18:00:00",""
"4037714","6.576","0.0002","10.0588","0.0003","10.2181","0.0004","90","","98.527","0.003","90","","668.42","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O -","- C18 H20 O -","- C36 H40 O2 -","2","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.0391","0.0355","","","0.0922","0.095","","","","","","0.975","","","","has coordinates","245413","2020-10-21","18:00:00",""
"4037715","9.4293","0.0016","10.2165","0.0015","17.616","0.002","90","","100.763","0.015","90","","1667.2","0.4","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.1545","0.0755","","","0.1486","0.2022","","","","","","1.048","","","","has coordinates","245414","2020-10-21","18:00:00",""
"4037716","9.3778","0.0006","21.6474","0.0013","6.9697","0.0005","90","","107.023","0.007","90","","1352.89","0.16","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","","Kotha, Sambasivarao; Keesari, Ramakrishna Reddy; Fatma, Ambareen; Gunta, Rama","Synthetic Strategies to Diverse Polyquinanes via Olefin Metathesis: Access to the Basic Core of Crinipellin, Presilphiperfolanol and Cucumin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02829","","x-ray","0.71073","MoKα","","0.094","0.0592","","","0.1291","0.1577","","","","","","1.04","","","","has coordinates","245415","2020-10-21","18:00:00",""
"4037719","8.9116","0.0003","15.1687","0.0005","24.1124","0.0008","90","","90","","90","","3259.45","0.19","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N4 O8 -","- C34 H36 N4 O8 -","- C136 H144 N16 O32 -","4","1","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.0596","0.0482","","","0.1137","0.1207","","","","","","1.109","","","","has coordinates","245538","2020-10-21","18:00:00",""
"4037720","18.3998","0.0013","22.4395","0.0013","9.6817","0.0006","90","","90","","90","","3997.4","0.4","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C192 H176 N32 O16 -","8","1","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.0281","0.0267","","","0.0662","0.0674","","","","","","1.076","","","","has coordinates","245539","2020-10-21","18:00:00",""
"4037721","49.8772","0.0019","13.6789","0.0005","26.949","0.0009","90","","105.632","0.002","90","","17706.3","1.1","100","","100.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H46 N4 O10 -","- C40 H46 N4 O10 -","- C640 H736 N64 O160 -","16","4","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.1728","0.1294","","","0.36","0.4066","","","","","","1.407","","","","has coordinates,has disorder","245540","2020-10-21","18:00:00",""
"4037722","12.484","0.002","15.984","0.003","20.269","0.003","90","","90","","90","","4044.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 Se -","- C22 H23 N O3 Se -","- C176 H184 N8 O24 Se8 -","8","2","","Wu, Di; Qiu, Jiashen; Li, Chengqiu; Yuan, Lexia; Yin, Hongquan; Chen, Fu-Xue","Lewis Acid-Catalyzed Asymmetric Selenocyanation of β-Ketoesters with N-Selenocyanatosaccharin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02786","","","0.71073","MoKα","","0.0787","0.0437","","","0.097","0.1131","","","","","","0.965","","","","has coordinates","245541","2020-10-21","18:00:00",""
"4037723","7.438","0.003","12.712","0.005","12.921","0.005","117.435","0.012","102.417","0.012","96.662","0.013","1025.8","0.7","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F2 N2 O2 -","- C26 H20 F2 N2 O2 -","- C52 H40 F4 N4 O4 -","2","1","","Mitra, Trisha; Kundu, Mrinalkanti; Roy, Brindaban","Additive Free, Pd-Catalyzed 3-Amino-1-Methyl-1H-Pyridin-2-one Directed C(sp2)-H Arylation and Methylation In Water.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02122","","","0.71073","MoKα","","0.1279","0.1059","","","0.2543","0.2883","","","","","","1.043","","","","has coordinates","245542","2020-10-21","18:00:00",""
"4037724","12.52766","0.00017","5.30576","0.00008","26.7682","0.0004","90","","97.703","0.0014","90","","1763.19","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Mao, Chun-Li; Zhao, Sheng; Zang, Zhong-Lin; Xiao, Lin; Zhou, Cheng-He; He, Yun; Cai, Gui-Xin","Pd-Catalyzed remote site- and stereo-selective C(alkenyl)-H alkenylation of unactivated cycloalkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02797","","","1.54184","CuKα","","0.063","0.0588","","","0.1653","0.1708","","","","","","1.058","","","","has coordinates","245561","2020-10-21","18:00:00",""
"4037725","14.0592","0.0004","21.5785","0.0006","22.5867","0.0007","107.463","0.0006","97.4559","0.0007","91.0639","0.0006","6469.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51.13 H50.27 N4 O4.57 -","- C51.1333 H50.2667 N4 O4.56667 -","- C306.8 H301.6 N24 O27.4 -","6","3","","Henderson, Will R.; Zhu, Yu; Fagnani, Danielle E.; Liu, Guancen; Abboud, Khalil A.; Castellano, Ronald K.","Self-Assembling [n.n]Paracyclophanes: A Structure-Property Relationship Study.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03120","","","0.71073","MoKα","","0.1021","0.0504","","","0.1299","0.1464","","","","","","0.935","","","","has coordinates,has disorder","245562","2020-10-21","18:00:00",""
"4037726","7.3315","0.0004","10.8147","0.0008","11.6977","0.0009","111.608","0.007","93.223","0.006","100.174","0.006","841.26","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N4 O2 S -","- C19 H14 N4 O2 S -","- C38 H28 N8 O4 S2 -","2","1","","Zhi, Changlei; Wang, Qiuling; Liu, Shuang; Xue, Yuting; Shi, Linlin; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Cu-Catalyzed Direct C7-Sulfonylation of Indolines with Arylsulfonyl Chlorides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02954","","x-ray","1.54184","CuKα","","0.0477","0.0413","","","0.1167","0.1252","","","","","","1.051","","","","has coordinates","245563","2020-10-21","18:00:00",""
"4037727","14.393","0.0004","7.2772","0.0002","16.8277","0.0005","90","","107.223","0.003","90","","1683.51","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O2 S -","- C19 H17 N3 O2 S -","- C76 H68 N12 O8 S4 -","4","1","","Zhi, Changlei; Wang, Qiuling; Liu, Shuang; Xue, Yuting; Shi, Linlin; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Cu-Catalyzed Direct C7-Sulfonylation of Indolines with Arylsulfonyl Chlorides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02954","","x-ray","1.54184","CuKα","","0.0506","0.0425","","","0.1186","0.1278","","","","","","1.036","","","","has coordinates","245564","2020-10-21","18:00:00",""
"4037728","24.832","0.003","10.9943","0.0011","14.9873","0.0014","90","","118.674","0.003","90","","3589.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C168 H184 N8 O16 -","8","1","","Li, Hui; Cui, Chun-Xiao; Zhang, Guang-Hua; Li, Xiao-Qiang; Yang, Jun","Regioselective Synthesis of Functionalized Dihydropyrones via Petasis Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02651","","","0.71073","MoKα","","0.0743","0.0492","","","0.1332","0.1432","","","","","","1.052","","","","has coordinates,has disorder","246203","2020-10-21","18:00:00",""
"4037729","14.299","0.0019","10.1735","0.0013","22.696","0.003","90","","90","","90","","3301.6","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Li, Hui; Cui, Chun-Xiao; Zhang, Guang-Hua; Li, Xiao-Qiang; Yang, Jun","Regioselective Synthesis of Functionalized Dihydropyrones via Petasis Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02651","","","0.71073","MoKα","","0.0681","0.046","","","0.113","0.1241","","","","","","1.018","","","","has coordinates","246204","2020-10-21","18:00:00",""
"4037730","8.2304","0.0011","13.6434","0.0017","10.9178","0.0012","90","","91.93","0.004","90","","1225.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C56 H44 F4 N8 O8 -","4","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0445","0.0363","","","0.0994","0.1043","","","","","","1.078","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037731","7.3","0.002","9.493","0.004","10.779","0.005","103.929","0.012","98.125","0.012","97.414","0.016","707.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0605","0.0448","","","0.1415","0.1591","","","","","","1.133","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037732","7.6992","0.0012","8.7622","0.0004","9.7258","0.0006","66.365","0.005","74.766","0.011","84.533","0.008","579.93","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C26 H22 N6 O4 -","2","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.1208","0.0923","","","0.3067","0.3195","","","","","","1.245","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037733","10.1364","0.0008","30.2806","0.0019","7.3026","0.0005","90","","106.248","0.007","90","","2151.9","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","4","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.2323","0.0697","","","0.1111","0.1606","","","","","","0.862","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037734","20.5404","0.0006","8.9927","0.0003","20.6948","0.0006","90","","90","","90","","3822.6","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Br N3 O2 -","- C22 H18 Br N3 O2 -","- C176 H144 Br8 N24 O16 -","8","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0905","0.0547","","","0.1078","0.119","","","","","","1.058","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037735","7.7957","0.0002","8.5442","0.0003","10.0862","0.0003","68.141","0.003","83.048","0.003","88.471","0.003","618.81","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0799","0.0535","","","0.1443","0.1784","","","","","","1.058","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037736","3.8196","0.0005","16.069","0.002","15.35","0.002","90","","92.661","0.006","90","","941.1","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N3 -","- C12 H7 N3 -","- C48 H28 N12 -","4","1","","Swamy, K. C. Kumara; Sunke, Rajnikanth; Kalyani, Adula","Cu(I)-Catalyzed Ligand-free Tandem One Pot or Sequential Annulation via Knoevenagel Intermediate: An Entry into Multifunctional Naphthalenes, Phenanthrenes, Quinolines and Benzo[b]carbazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02991","","","0.71073","MoKα","","0.0687","0.0433","","","0.0982","0.1071","","","","","","1.08","","","","has coordinates","246205","2020-10-21","18:00:00",""
"4037737","11.4837","0.0012","13.9123","0.0015","14.7681","0.0016","90","","102.717","0.004","90","","2301.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C96 H104 N8 O20 -","4","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","0.71073","MoKα","","0.1606","0.0623","","","0.1565","0.2028","","","","","","1.014","","","","has coordinates","246206","2020-10-21","18:00:00",""
"4037738","8.6937","0.001","11.3319","0.0013","12.5649","0.0015","69.2","0.003","87.711","0.004","88.616","0.004","1156.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N3 O5 -","- C24 H27 N3 O5 -","- C48 H54 N6 O10 -","2","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","0.71073","MoKα","","0.1713","0.0687","","","0.1675","0.2092","","","","","","1.037","","","","has coordinates","246207","2020-10-21","18:00:00",""
"4037739","10.213","0.0002","11.0231","0.0002","11.7635","0.0002","63.729","0.001","81.832","0.001","64.098","0.001","1066.08","0.04","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","1.54178","CuKα","","0.1027","0.0733","","","0.1337","0.1495","","","","","","1.118","","","","has coordinates,has disorder","246208","2020-10-21","18:00:00",""
"4037740","12.933","0.003","8.557","0.002","21.466","0.005","90","","106.644","0.007","90","","2276.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N3 O5 -","- C23 H25 N3 O5 -","- C92 H100 N12 O20 -","4","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","0.71073","MoKα","","0.1972","0.0797","","","0.1951","0.2382","","","","","","1.101","","","","has coordinates","246209","2020-10-21","18:00:00",""
"4037741","9.9238","0.0002","18.8348","0.0004","25.339","0.0005","90","","100.574","0.0011","90","","4655.76","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C200 H224 N16 O40 -","8","2","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","1.54178","CuKα","","0.0914","0.0603","","","0.1422","0.1642","","","","","","1.08","","","","has coordinates","246210","2020-10-21","18:00:00",""
"4037742","10.4973","0.0013","10.866","0.0014","12.6553","0.0016","86.754","0.004","68.669","0.004","86.726","0.005","1341.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl2 N2 O4 -","- C31 H26 Cl2 N2 O4 -","- C62 H52 Cl4 N4 O8 -","2","1","","Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.","Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02712","","","1.54178","CuKα","","0.0598","0.0529","","","0.1407","0.1478","","","","","","1.08","","","","has coordinates,has disorder","246211","2020-10-21","18:00:00",""
"4037743","9.5128","0.0003","11.4465","0.0003","16.0517","0.0004","100.298","0.002","103.162","0.002","93.773","0.002","1664.13","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44.26 Cl N7 O8.13 -","- C32 H44.258 Cl N7 O8.129 -","- C64 H88.516 Cl2 N14 O16.258 -","2","1","","Tyszka-Gumkowska, Agata; Jurczak, Janusz","A General Method for High-Pressure-Promoted Postfunctionalization of Unclosed Cryptands: Potential Phase-Transfer Catalysts.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02985","","","1.54184","CuKα","","0.0514","0.0512","","","0.1402","0.1405","","","","","","1.032","","","","has coordinates","246278","2020-10-21","18:00:00",""
"4037744","15.9831","0.0001","8.1753","0.0001","28.593","0.0002","90","","92.563","0.001","90","","3732.41","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Cl N8 O7 -","- C35 H51 Cl N8 O7 -","- C140 H204 Cl4 N32 O28 -","4","1","","Tyszka-Gumkowska, Agata; Jurczak, Janusz","A General Method for High-Pressure-Promoted Postfunctionalization of Unclosed Cryptands: Potential Phase-Transfer Catalysts.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02985","","","1.54184","CuKα","","0.0316","0.0307","","","0.0798","0.0805","","","","","","1.034","","","","has coordinates,has disorder","246279","2020-10-21","18:00:00",""
"4037745","11.0874","0.001","7.3311","0.0006","13.1798","0.0012","90","","99.6754","0.0019","90","","1056.05","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrrole-Ar","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0643","0.046","","","0.1192","0.1319","","","","","","1.046","","","","has coordinates","246280","2020-10-21","18:00:00",""
"4037746","3.9928","0.0002","20.0972","0.0006","28.7175","0.001","90","","90","","90","","2304.41","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Br-py-Ar","","","- C13 H12 Br N O -","- C13 H12 Br N O -","- C104 H96 Br8 N8 O8 -","8","2","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0473","0.0352","","","0.0684","0.0721","","","","","","1.021","","","","has coordinates","246281","2020-10-21","18:00:00",""
"4037747","7.3347","0.0007","9.2667","0.0009","10.0931","0.0009","81.472","0.003","79.362","0.003","74.83","0.003","647.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bc Half","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0654","0.042","","","0.0906","0.1011","","","","","","1.071","","","","has coordinates","246282","2020-10-21","18:00:00",""
"4037748","8.9625","0.0017","7.5595","0.0014","23.901","0.004","90","","95.83","0.005","90","","1611","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F2 N O2 -","- C19 H15 F2 N O2 -","- C76 H60 F8 N4 O8 -","4","1","","Qi, Linjun; Li, Renhao; Yao, Xinrong; Zhen, Qianqian; Ye, Pengqing; Shao, Yinlin; Chen, Jiuxi","Syntheses of Pyrroles, Pyridines, and Ketonitriles via Catalytic Carbopalladation of Dinitriles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02999","","","0.71073","MoKα","","0.1164","0.0793","","","0.151","0.1639","","","","","","1.174","","","","has coordinates","246283","2020-10-21","18:00:00",""
"4037749","8.2482","0.0004","10.0471","0.0005","12.1109","0.0005","96.3456","0.0014","99.423","0.0013","112.278","0.0012","899.67","0.07","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C42 H48 N4 O6 -","2","1","","Zhou, Yi-Guo; Wong, Henry N. C.; Peng, Xiao-Shui","Total Syntheses of (-)-Deoxoapodine, (-)-Kopsifoline D, and (-)-Beninine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02918","","","0.71073","MoKα","","0.0477","0.0391","","","0.0992","0.1062","","","","","","1.034","","","","has coordinates","246284","2020-10-21","18:00:00",""
"4037750","8.5202","0.0004","11.2279","0.0006","17.8067","0.0008","90","","102.046","0.0013","90","","1665.95","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Zhou, Yi-Guo; Wong, Henry N. C.; Peng, Xiao-Shui","Total Syntheses of (-)-Deoxoapodine, (-)-Kopsifoline D, and (-)-Beninine.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02918","","","0.71073","MoKα","","0.0577","0.0479","","","0.1315","0.1404","","","","","","1.083","","","","has coordinates","246285","2020-10-21","18:00:00",""
"4037751","12.2439","0.0006","8.4591","0.0003","13.4174","0.0006","90","","113.527","0.005","90","","1274.15","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F N2 O2 -","- C15 H10 F N2 O2 -","- C60 H40 F4 N8 O8 -","4","1","","Putta, Venkata Pattabhi Rama Kishore; Vodnala, Nagaraju; Gujjarappa, Raghuram; Tyagi, Ujjawal; Garg, Aakriti; Gupta, Sreya; Pujar, Prasad P.; Malakar, Chandi Charan","Reagent-Controlled Divergent Synthesis of 2-Amino-1,3-Benzoxazines and 2-Amino-1,3-Benzothiazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02384","","x-ray","1.54184","CuKα","","0.0705","0.0572","","","0.1804","0.19","","","","","","1.173","","","","has coordinates","246286","2020-10-21","18:00:00",""
"4037752","7.6249","0.0004","13.6933","0.0009","14.7998","0.0012","113.811","0.007","96.971","0.006","102.713","0.005","1340.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F N2 O S -","- C15 H11 F N2 O S -","- C60 H44 F4 N8 O4 S4 -","4","2","","Putta, Venkata Pattabhi Rama Kishore; Vodnala, Nagaraju; Gujjarappa, Raghuram; Tyagi, Ujjawal; Garg, Aakriti; Gupta, Sreya; Pujar, Prasad P.; Malakar, Chandi Charan","Reagent-Controlled Divergent Synthesis of 2-Amino-1,3-Benzoxazines and 2-Amino-1,3-Benzothiazines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02384","","x-ray","1.54184","CuKα","","0.0517","0.0408","","","0.1076","0.1182","","","","","","1.015","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037753","18.9348","0.0006","20.293","0.0006","5.3935","0.0002","90","","90","","90","","2072.42","0.12","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H18 Br N O3 S -","- C23 H18 Br N O3 S -","- C92 H72 Br4 N4 O12 S4 -","4","1","","Hu, Sha; Wang, Jiaqi; Huang, Guanxin; Zhu, Kejie; Chen, Fener","Organocatalytic Asymmetric Domino oxa-Michael-Mannich-[1,3]-Amino Rearrangement Reaction of N-Tosylsalicylimines to α,β-Unsaturated Aldehydes by Diarylprolinol Silyl Ethers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02939","","","1.34138","GaKα","","0.0198","0.0194","","","0.0521","0.0523","","","","","","1.079","","","","has coordinates","246316","2020-10-21","18:00:00",""
"4037754","6.5917","0.001","29.503","0.005","50.546","0.008","90","","90","","90","","9830","3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H150.16 N O35.58 -","- C96 H139 N O35.579 -","- C384 H556 N4 O142.316 -","4","1","","Fukaya, Keisuke; Urabe, Daisuke; Hiraizumi, Masato; Noguchi, Keiichi; Matsumoto, Takashi; Sakurai, Kaori","Computational and Experimental Analysis on the Conformational Preferences of Anticancer Saponin OSW-1","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02085","","","1.54187","CuKα","","0.0887","0.072","","","0.2001","0.2219","","","","","","1.068","","","","has coordinates,has disorder","246346","2020-10-21","18:00:00",""
"4037755","14.9756","0.0005","11.223","0.0004","16.6743","0.0006","90","","112.726","0.002","90","","2584.89","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl N O Se2 -","- C31 H20 Cl N O Se2 -","- C124 H80 Cl4 N4 O4 Se8 -","4","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(I) Catalyzed Synthesis of Functionalized Indolizinones from Substituted Pyridine Homologated Ynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02853","","","0.71073","MoKα","","0.0288","0.0213","","","0.0505","0.0544","","","","","","1.052","","","","has coordinates","246347","2020-10-21","18:00:00",""
"4037756","9.6681","0.0004","10.7087","0.0004","21.7096","0.0008","90.444","0.002","93.759","0.002","102.371","0.002","2190.2","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O Se2 -","- C27 H19 N O Se2 -","- C108 H76 N4 O4 Se8 -","4","2","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(I) Catalyzed Synthesis of Functionalized Indolizinones from Substituted Pyridine Homologated Ynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02853","","","0.71073","MoKα","","0.0292","0.0215","","","0.0498","0.0525","","","","","","1.026","","","","has coordinates","246348","2020-10-21","18:00:00",""
"4037757","13.9056","0.0011","21.112","0.0018","8.1751","0.0007","90","","104.28","0.008","90","","2325.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 B2 N2 O -","- C30 H22 B2 N2 O -","- C120 H88 B8 N8 O4 -","4","0.5","","Tian, Dawei; Li, Qian; Zhao, Yifan; Wang, Zijia; Li, Wenbin; Xia, Shuling; Xing, Siyang; Zhu, Bolin; Zhang, Jianying; Cui, Chunming","Synthesis of bis-BN-naphthalene-fused Oxepins and Their Photoluminescence Including White-Light Emission.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02594","","x-ray","0.71073","MoKα","","0.0745","0.0444","","","0.1013","0.1176","","","","","","1.006","","","","has coordinates","246440","2020-10-21","18:00:00",""
"4037758","15.0689","0.0007","8.5804","0.0004","23.393","0.0011","90","","93.598","0.004","90","","3018.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 B2 Br N2 O2 -","- C37 H27 B2 Br N2 O2 -","- C148 H108 B8 Br4 N8 O8 -","4","1","","Tian, Dawei; Li, Qian; Zhao, Yifan; Wang, Zijia; Li, Wenbin; Xia, Shuling; Xing, Siyang; Zhu, Bolin; Zhang, Jianying; Cui, Chunming","Synthesis of bis-BN-naphthalene-fused Oxepins and Their Photoluminescence Including White-Light Emission.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02594","","x-ray","1.54184","CuKα","","0.1076","0.0698","","","0.1819","0.2161","","","","","","0.999","","","","has coordinates","246441","2020-10-21","18:00:00",""
"4037759","13.7773","0.0003","22.8718","0.0006","7.7764","0.00018","90","","97.718","0.002","90","","2428.24","0.1","120.68","0.12","120.68","0.12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 B2 Cl2 N2 O -","- C30 H20 B2 Cl2 N2 O -","- C120 H80 B8 Cl8 N8 O4 -","4","0.5","","Tian, Dawei; Li, Qian; Zhao, Yifan; Wang, Zijia; Li, Wenbin; Xia, Shuling; Xing, Siyang; Zhu, Bolin; Zhang, Jianying; Cui, Chunming","Synthesis of bis-BN-naphthalene-fused Oxepins and Their Photoluminescence Including White-Light Emission.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02594","","x-ray","1.54184","CuKα","","0.032","0.0302","","","0.0777","0.0795","","","","","","1.061","","","","has coordinates","246442","2020-10-21","18:00:00",""
"4037760","9.5748","0.0002","14.0946","0.0003","15.6037","0.0003","90","","90","","90","","2105.77","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N4 O2 -","- C22 H32 N4 O2 -","- C88 H128 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0498","0.0473","","","0.115","0.1179","","","","","","1.067","","","","has coordinates,has disorder","246483","2020-10-21","18:00:00",""
"4037761","16.178","0.003","16.45","0.003","19.2","0.004","90","","90","","90","","5109.7","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N4 O2.5 -","- C25 H39 N4 O2.5 -","- C200 H312 N32 O20 -","8","2","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","0.71073","MoKα","","0.1505","0.1456","","","0.3638","0.3757","","","","","","1.639","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037762","9.9079","0.0003","14.3041","0.0005","16.03","0.0006","90","","90","","90","","2271.83","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N4 O2 -","- C23 H34 N4 O2 -","- C92 H136 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0675","0.0553","","","0.1537","0.1674","","","","","","1.052","","","","has coordinates","246485","2020-10-21","18:00:00",""
"4037763","9.6765","0.0003","17.4857","0.0006","18.9347","0.0008","90","","90","","90","","3203.8","0.2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 N4 O2 -","- C30 H48 N4 O2 -","- C120 H192 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0851","0.0721","","","0.2129","0.2328","","","","","","1.042","","","","has coordinates","246486","2020-10-21","18:00:00",""
"4037764","6.7411","0.0014","8.5273","0.0017","9.4191","0.0019","83.71","0.03","88.23","0.03","76.21","0.03","522.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Br N3 S -","- C10 H6 Br N3 S -","- C20 H12 Br2 N6 S2 -","2","1","","Sun, Kai; Li, Yali; Feng, Ranran; Mu, Shiqiang; Wang, Xin; Zhang, Bing","C-H Imidation and Dual C-H Bond Aminobromination of Five-Membered Heterocycles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02941","","","0.71073","MoKα","","0.079","0.0508","","","0.163","0.1871","","","","","","1","","","","has coordinates","246487","2020-10-21","18:00:00",""
"4037765","10.128","0.001","15.5124","0.0019","8.2549","0.001","90","","101.942","0.011","90","","1268.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O3 S2 -","- C11 H14 O3 S2 -","- C44 H56 O12 S8 -","4","1","","He, Yuan; Lou, Jiang; Wu, Ping; Zhou, Yong-Gui; Yu, Zhengkun","Copper-Catalyzed Annulative Coupling of <i>S</i>,<i>S</i>-Disubstituted Enones with Diazo Compounds to Access Highly Functionalized Thiophene Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02982","","","0.71073","MoKα","","0.0607","0.0398","","","0.0941","0.1106","","","","","","1.037","","","","has coordinates","246488","2020-10-21","18:00:00",""
"4037766","10.0039","0.0012","7.6805","0.0009","23.592","0.003","90","","113.206","0.006","90","","1666","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 S -","- C16 H18 O5 S -","- C64 H72 O20 S4 -","4","1","","Zhang, Huan-Qing; Xi, Ji-Ming; Liao, Wei-Wei","Organocatalytic Isomerization/Allylic Alkylation of O-Acylated Hemithioacetals and Its Application in Tandem Sequence to Access 2,7-Dioxabicyclo[2.2.1]heptan-3-one derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03172","","","0.71073","MoKα","","0.0789","0.0656","","","0.2429","0.2586","","","","","","1.075","","","","has coordinates","246489","2020-10-21","18:00:00",""
"4037767","28.732","0.008","7.653","0.0018","18.497","0.005","90","","98.205","0.017","90","","4025.6","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O5 S -","- C22 H22 O5 S -","- C176 H176 O40 S8 -","8","1","","Zhang, Huan-Qing; Xi, Ji-Ming; Liao, Wei-Wei","Organocatalytic Isomerization/Allylic Alkylation of O-Acylated Hemithioacetals and Its Application in Tandem Sequence to Access 2,7-Dioxabicyclo[2.2.1]heptan-3-one derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03172","","","0.71073","MoKα","","0.0552","0.0399","","","0.1008","0.1091","","","","","","1.027","","","","has coordinates","246490","2020-10-21","18:00:00",""
"4037768","15.261","0.004","7.494","0.002","11.699","0.003","90","","108.2","0.004","90","","1271","0.6","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Cheng, Bin; Li, Yuntong; Li, Hui; Zhang, Xinping; Wang, Taimin; Li, Yun; Zhai, Hongbin","Switchable Ring-Contractive Extrusion Reactions of 2,5-Dihydro-1,4,5-thiadiazepine S-Oxides: Entries to Pyridazines or Pyrazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03003","","","0.71073","MoKα","","0.0497","0.0387","","","0.1025","0.1117","","","","","","1.046","","","","has coordinates","246491","2020-10-21","18:00:00",""
"4037769","13.8348","0.0008","14.2875","0.0008","15.0081","0.001","75.879","0.006","87.44","0.005","65.866","0.006","2620.4","0.3","293.65","0.1","293.65","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C88 H128 N16 O32 -","8","4","","Cheng, Bin; Li, Yuntong; Li, Hui; Zhang, Xinping; Wang, Taimin; Li, Yun; Zhai, Hongbin","Switchable Ring-Contractive Extrusion Reactions of 2,5-Dihydro-1,4,5-thiadiazepine S-Oxides: Entries to Pyridazines or Pyrazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03003","","","0.71073","MoKα","","0.1475","0.0815","","","0.1875","0.2496","","","","","","1.036","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4037775","9.5211","0.0003","7.4342","0.0003","12.6425","0.0005","90","","103.291","0.001","90","","870.89","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 N O -","- C24 H17 N O -","- C48 H34 N2 O2 -","2","1","","Wang, Jie; Zhao, Zi-Biao; Zhao, Yanan; Luo, Gen; Zhu, Zhou-Hao; Luo, Yi; Zhou, Yong-Gui","Chiral and Regenerable NAD(P)H Models Enabled Biomimetic Asymmetric Reduction: Design, Synthesis, Scope and Mechanistic Studies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03054","","","1.54178","CuKα","","0.0404","0.04","","","0.1115","0.1128","","","","","","1.027","","","","has coordinates","246705","2020-10-21","18:00:00",""
"4037776","8.6813","0.0002","10.6444","0.0003","19.1425","0.0006","90","","90","","90","","1768.91","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Wang, Jie; Zhao, Zi-Biao; Zhao, Yanan; Luo, Gen; Zhu, Zhou-Hao; Luo, Yi; Zhou, Yong-Gui","Chiral and Regenerable NAD(P)H Models Enabled Biomimetic Asymmetric Reduction: Design, Synthesis, Scope and Mechanistic Studies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03054","","","1.54178","CuKα","","0.0427","0.0375","","","0.0948","0.1001","","","","","","1.076","","","","has coordinates","246706","2020-10-21","18:00:00",""
"4037777","11.143","0.0006","11.416","0.0007","15.0232","0.001","69.8144","0.0018","79.5318","0.0018","62.4336","0.0015","1589.51","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H26 O6 -","- C44 H26 O6 -","- C88 H52 O12 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.0965","0.0518","","","0.1222","0.1459","","","","","","1.044","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037778","10.7698","0.0007","11.5546","0.0009","14.496","0.001","100.952","0.002","97.886","0.002","117.45","0.002","1518.44","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H24 O6 -","- C43 H24 O6 -","- C86 H48 O12 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.0847","0.0528","","","0.1172","0.1318","","","","","","1.022","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037779","10.8951","0.0007","10.9386","0.0008","15.9614","0.0011","103.223","0.002","92.067","0.002","116.954","0.002","1629.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H26 O7 -","- C44 H26 O7 -","- C88 H52 O14 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.0974","0.0496","","","0.1092","0.1196","","","","","","1.048","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037780","11.4229","0.0018","13.954","0.002","14.475","0.002","62.71","0.004","70.598","0.004","87.255","0.004","1918.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H23 Br O6 -","- C43 H23 Br O6 -","- C86 H46 Br2 O12 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.122","0.0579","","","0.1519","0.1785","","","","","","1.031","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037781","11.974","0.003","14.879","0.004","15.811","0.004","76.21","0.006","84.283","0.006","66.517","0.005","2509.1","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H30 O7 -","- C53 H30 O7 -","- C106 H60 O14 -","2","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.2925","0.1801","","","0.4824","0.5167","","","","","","1.029","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037782","10.733","0.002","17.911","0.003","24.904","0.005","90","","103.969","0.008","90","","4645.9","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H30 O8 -","- C53 H30 O8 -","- C212 H120 O32 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.1464","0.0675","","","0.1743","0.1973","","","","","","0.919","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037783","12.9504","0.0012","13.7825","0.0013","17.6013","0.0017","90","","96.011","0.003","90","","3124.4","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 O7 -","- C44 H26 O7 -","- C176 H104 O28 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.1052","0.0544","","","0.1096","0.1268","","","","","","1.021","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037784","12.2221","0.0019","12.352","0.002","16.801","0.003","82.105","0.005","72.856","0.005","81.232","0.005","2383.9","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H16 O5 -","- C34 H16 O5 -","- C136 H64 O20 -","4","2","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.2913","0.076","","","0.1717","0.251","","","","","","0.941","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037785","7.3339","0.0018","14.441","0.003","23.516","0.005","90","","90","","90","","2490.6","1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H15 Br O5 -","- C34 H15 Br O5 -","- C136 H60 Br4 O20 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.142","0.0639","","","0.1109","0.1321","","","","","","1.015","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037787","12.383","0.002","12.964","0.003","56.938","0.011","90","","90","","90","","9140","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C448 H384 F48 N16 O48 S16 -","16","2","","Das, Eshani; Basak, Amit","Regioselective Synthesis of Benzo-fused Tetrahydroisoquinoline-based Biaryls through a Tandem One-pot Halogenation of p-Benzynes from Enediynes and Suzuki-Miyaura Coupling.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02874","","","0.71073","MoKα","","0.2018","0.1029","","","0.2018","0.2505","","","","","","1.056","","","","has coordinates","246709","2020-10-21","18:00:00",""
"4037788","22.03","0.002","36.178","0.004","30.846","0.003","90","","96.738","0.002","90","","24415","4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DGR-328A_200K","","","- C95.5 H58 B N6 O -","- C95.5 H58 B N6 O -","- C764 H464 B8 N48 O8 -","8","2","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.32","0.21","","","0.5116","0.5797","","","","","","1.401","","","","has coordinates","246710","2020-10-21","18:00:00",""
"4037789","11.4506","0.0002","21.5684","0.0005","22.2284","0.0005","90","","102.738","0.001","90","","5354.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EC3-metoxiSubPz","","","- C64 H55 B N6 O7 -","- C64 H55 B N6 O7 -","- C256 H220 B4 N24 O28 -","4","1","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.1179","0.068","","","0.1989","0.2489","","","","","","1.063","","","","has coordinates","246710","2020-10-21","18:00:00",""
"4037790","11.5995","0.0003","17.9668","0.0004","37.0913","0.0008","90","","90","","90","","7730","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","345TMTSubPz","","","- C76 H79 B N6 O19 -","- C76 H79 B N6 O19 -","- C304 H316 B4 N24 O76 -","4","1","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.1338","0.0938","","","0.263","0.3011","","","","","","1.169","","","","has coordinates,has disorder","246710","2020-10-21","18:00:00",""
"4037791","25.0623","0.0009","25.2909","0.0008","19.4705","0.0007","90","","101.146","0.002","90","","12108.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","FenilvinilSubPz","","","- C140 H110 B2 N12 O2 -","- C137 H98 B2 N12 O2 -","- C548 H392 B8 N48 O8 -","4","0.5","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.2759","0.1651","","","0.3962","0.5012","","","","","","1.206","","","","has coordinates","246710","2020-10-21","18:00:00",""
"4037802","9.795","","9.845","","10.769","","88.79","","63.77","","60.84","","788.074","","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H53 N3 O5 -","- C28 H53 N3 O5 -","- C28 H53 N3 O5 -","1","1","","Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude","Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02916","","","0.71073","MoKα","","0.0841","0.057","","","0.1396","0.1569","","","","","","1.035","","","","has coordinates","246785","2020-10-21","18:00:00",""
"4037803","13.584","0.003","16.196","0.004","24.572","0.006","90","","90","","90","","5406","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H91 N5 O9 -","- C48 H91 N5 O9 -","- C192 H364 N20 O36 -","4","1","","Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude","Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02916","","","0.71073","MoKα","","0.18","0.0655","","","0.139","0.1808","","","","","","1.015","","","","has coordinates","246785","2020-10-21","18:00:00",""
"4037804","9.7654","0.0002","17.1242","0.0003","17.5385","0.0003","90","","105.677","0.002","90","","2823.77","0.09","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 O8 Rh2 -","- C28 H28 N4 O8 Rh2 -","- C112 H112 N16 O32 Rh8 -","4","1","","Yang, Hsiang-Ming; Liu, Ming-Lun; Tu, Jing-Wen; Miura-Stempel, Emily; Campbell, Michael G.; Chuang, Gary Jing","Bimetallic Photoredox Catalysis: Visible Light-Promoted Aerobic Hydroxylation of Arylboronic Acids with a Dirhodium(II) Catalyst.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02777","","x-ray","0.71073","MoKα","","0.0444","0.0363","","","0.0721","0.075","","","","","","1.105","","","","has coordinates","246786","2020-10-21","18:00:00",""
"4037805","8.3171","0.0004","10.6442","0.0005","15.5771","0.0009","90","","90","","90","","1379.02","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Xie, Qinxia; Long, Hai-Jiao; Zhang, Qiong-Yin; Tang, Pei; Deng, Jun","Enantioselective Syntheses of 4H-3,1-Benzoxazines via Catalytic Asymmetric Chlorocyclization of o-Vinylanilides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02395","","","0.71073","MoKα","","0.0646","0.0477","","","0.0985","0.1109","","","","","","1.112","","","","has coordinates","246787","2020-10-21","18:00:00",""
"4037806","9.6432","0.0005","12.4568","0.0006","14.2518","0.0007","90","","90","","90","","1711.97","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O -","- C21 H16 Cl N O -","- C84 H64 Cl4 N4 O4 -","4","1","","Xie, Qinxia; Long, Hai-Jiao; Zhang, Qiong-Yin; Tang, Pei; Deng, Jun","Enantioselective Syntheses of 4H-3,1-Benzoxazines via Catalytic Asymmetric Chlorocyclization of o-Vinylanilides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02395","","","0.71073","MoKα","","0.0628","0.0438","","","0.0879","0.0989","","","","","","1.07","","","","has coordinates","246788","2020-10-21","18:00:00",""
"4037893","4.908","0.0002","14.0311","0.0005","18.5729","0.0006","90","","90","","90","","1279.02","0.08","170","2","169.96","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br N2 O S -","- C14 H9 Br N2 O S -","- C56 H36 Br4 N8 O4 S4 -","4","1","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.0325","0.0303","","","0.073","0.0748","","","","","","1.063","","","","has coordinates,has disorder","247921","2020-10-21","18:00:00",""
"4037894","8.1688","0.0004","14.2208","0.0007","15.5925","0.0008","66.668","0.003","89.608","0.003","83.644","0.003","1651.63","0.15","170","2","170.02","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Br3 N2 O -","- C17 H11 Br3 N2 O -","- C68 H44 Br12 N8 O4 -","4","2","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.1364","0.1146","","","0.2734","0.2925","","","","","","0.902","","","","has coordinates","247922","2020-10-21","18:00:00",""
"4037895","8.1864","0.0002","9.8229","0.0003","10.8563","0.0003","94.816","0.001","96.61","0.001","103.827","0.001","836.43","0.04","173","2","172.93","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Br2 N3 O -","- C18 H15 Br2 N3 O -","- C36 H30 Br4 N6 O2 -","2","1","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.0307","0.0298","","","0.0796","0.0804","","","","","","1.102","","","","has coordinates","247923","2020-10-21","18:00:00",""
"4038963","11.0752","0.0002","10.4369","0.0002","14.7957","0.0003","90","","111.495","0.002","90","","1591.3","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C56 H72 Br4 N4 O16 S4 -","4","1","","Vasin, V.A.; Kalyazina, V.A.; Petrova, P.S.; Somov, N.V.","Reaction of Methyl Vinyl Sulfone with Schiff Bases Derived from -Alanine Methyl Ester and Aromatic Aldehydes","RUSSIAN JOURNAL OF ORGANIC CHEMISTRY","2019","55","4","426435","-","10.1134/S107042801904002X","","","0.71073","MoKα","","0.0467","0.0346","","","0.0809","0.0863","","","","","","1.041","","","","has coordinates","269583","2021-10-05","10:46:52",""
"4127220","28.951","0.003","6.0992","0.0006","11.9821","0.0012","90","","92.266","0.002","90","","2114.1","0.4","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ag Bi I8 N4 S4 -","- C24 H36 Ag Bi I8 N4 S4 -","- C48 H72 Ag2 Bi2 I16 N8 S8 -","2","0.25","","Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.","Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.","Journal of the American Chemical Society","2019","141","19","7955","7964","10.1021/jacs.9b02909","","","0.71073","MoKα","","0.0665","0.049","","","0.1339","0.1484","","","","","","1.085","","","","has coordinates,has disorder","223198","2020-10-21","18:00:00",""
"4127221","29.3654","0.0014","6.1473","0.0003","12.0494","0.0006","90","","92.7321","0.0012","90","","2172.66","0.18","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ag Bi I8 N4 S4 -","- C24 H36 Ag Bi I8 N4 S4 -","- C48 H72 Ag2 Bi2 I16 N8 S8 -","2","0.25","","Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.","Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.","Journal of the American Chemical Society","2019","141","19","7955","7964","10.1021/jacs.9b02909","","","0.71073","MoKα","","0.0662","0.0555","","","0.1634","0.1778","","","","","","1.097","","","","has coordinates,has disorder","223198","2020-10-21","18:00:00",""
"4127222","9.1723","0.0006","13.1708","0.0009","20.2598","0.0014","90","","90","","90","","2447.5","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O8 -","- C25 H40 O8 -","- C100 H160 O32 -","4","1","","Turlik, Aneta; Chen, Yifeng; Scruse, Anthony C.; Newhouse, Timothy R.","Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid.","Journal of the American Chemical Society","2019","141","20","8088","8092","10.1021/jacs.9b03751","","","1.54178","CuKα","","0.028","0.0253","","","0.0654","0.0665","","","","","","1.054","","","","has coordinates","223188","2020-10-21","18:00:00",""
"4127223","16.497","0.002","8.9713","0.001","20.61","0.002","90","","105.159","0.004","90","","2944.1","0.6","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H52 N P -","- C34 H52 N P -","- C136 H208 N4 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0976","0.0515","","","0.1107","0.1269","","","","","","1.075","","","","has coordinates","223189","2020-10-21","18:00:00",""
"4127224","11.104","0.019","15.85","0.02","14.68","0.02","90","","95.94","0.05","90","","2570","6","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N P -","- C28 H46 N P -","- C112 H184 N4 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0827","0.0614","","","0.1551","0.1703","","","","","","1.079","","","","has coordinates","223189","2020-10-21","18:00:00",""
"4127225","10.144","0.0005","16.2799","0.0007","20.1295","0.0007","90","","104.252","0.002","90","","3221.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H59 N P S -","- C36.5 H59 N P S -","- C146 H236 N4 P4 S4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.1178","0.0615","","","0.1441","0.1705","","","","","","1.032","","","","has coordinates,has disorder","223189","2020-10-21","18:00:00",""
"4127226","11.096","0.007","11.353","0.009","16.047","0.011","76.64","0.02","69.873","0.014","79.271","0.019","1834","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 F4 N O3 P S -","- C39 H57 F4 N O3 P S -","- C78 H114 F8 N2 O6 P2 S2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Kim, Youngsuk; Stephan, Douglas W.","Reversible Intramolecular Cycloaddition of Phosphaalkene to an Arene Ring.","Journal of the American Chemical Society","2019","141","20","8083","8087","10.1021/jacs.9b03721","","","0.71073","MoKα","","0.0786","0.0496","","","0.116","0.1285","","","","","","1.054","","","","has coordinates,has disorder","223189","2020-10-21","18:00:00",""
"4127227","18.4913","0.0002","20.3554","0.0003","24.9867","0.0003","90","","90","","90","","9404.9","0.2","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Co N3 O -","- C52 H73 Co N3 O -","- C416 H584 Co8 N24 O8 -","8","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0792","0.0683","","","0.1888","0.1984","","","","","","1.054","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127228","28.843","0.0007","11.3664","0.0002","20.0835","0.0005","90","","101.489","0.002","90","","6452.3","0.3","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H94 Co N4 O2 -","- C63 H94 Co N4 O2 -","- C252 H376 Co4 N16 O8 -","4","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0862","0.0566","","","0.1444","0.1586","","","","","","1.074","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127229","15.999","0.003","17.341","0.004","25.848","0.005","90","","106.54","0.03","90","","6874","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C81 H70 B F4 Fe2 N5.5 O0.5 S4 -","- C81 H70 B F4 Fe2 N5.5 O0.5 S4 -","- C324 H280 B4 F16 Fe8 N22 O2 S16 -","4","1","","Wang, Lianke; Gennari, Marcello; Cantú Reinhard, Fabián G; Gutiérrez, Javier; Morozan, Adina; Philouze, Christian; Demeshko, Serhiy; Artero, Vincent; Meyer, Franc; de Visser, Sam P.; Duboc, Carole","A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery.","Journal of the American Chemical Society","2019","141","20","8244","8253","10.1021/jacs.9b02011","","x-ray","0.71073","MoKα","","0.062","0.044","","","0.099","0.1121","","","","","","1.144","","","","has coordinates,has disorder","223190","2020-10-21","18:00:00",""
"4127230","13.8502","0.0002","16.6927","0.0003","23.0193","0.0003","90.251","0.001","90.387","0.001","112.097","0.002","4930.84","0.15","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H150 B2 K2 N8 O14 -","- C94 H150 B2 K2 N8 O14 -","- C188 H300 B4 K4 N16 O28 -","2","2","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0644","0.0551","","","0.1437","0.1516","","","","","","1.041","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127231","13.0099","0.0003","15.9376","0.0004","16.4118","0.0004","80.367","0.002","86.833","0.002","86.675","0.002","3345.71","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H96 B K N4 O6 S -","- C68 H96 B K N4 O6 S -","- C136 H192 B2 K2 N8 O12 S2 -","2","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0429","0.0386","","","0.101","0.1051","","","","","","1.029","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127232","15.5333","0.0003","16.3399","0.0003","27.911","0.0007","85.492","0.002","89.509","0.002","61.864","0.002","6224.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H165 B4 K4 N8 S4 -","- C125 H165 B4 K4 N8 S4 -","- C250 H330 B8 K8 N16 S8 -","2","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.09","0.068","","","0.1853","0.2101","","","","","","1.016","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127233","11.8476","0.0002","13.6268","0.0002","19.9995","0.0003","90","","94.496","0.001","90","","3218.88","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B F3 N3 O3 S -","- C32 H41 B F3 N3 O3 S -","- C128 H164 B4 F12 N12 O12 S4 -","4","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.052","0.0395","","","0.0978","0.1065","","","","","","1.029","","","","has coordinates,has disorder","223191","2020-10-21","18:00:00",""
"4127234","12.2444","0.0001","15.9465","0.0002","30.3954","0.0003","90","","92.74","0.001","90","","5928.08","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H86 B K N6 O7 -","- C59 H86 B K N6 O7 -","- C236 H344 B4 K4 N24 O28 -","4","1","","Loh, Ying Kai; Porteous, Kieran; Fuentes, M Ángeles; Do, Dinh Cao Huan; Hicks, Jamie; Aldridge, Simon","An Acid-Free Anionic Oxoborane Isoelectronic with Carbonyl: Facile Access and Transfer of a Terminal B═O Double Bond.","Journal of the American Chemical Society","2019","141","20","8073","8077","10.1021/jacs.9b03600","","","1.54184","CuKα","","0.0507","0.0422","","","0.1084","0.1156","","","","","","1.03","","","","has coordinates","223191","2020-10-21","18:00:00",""
"4127235","6.008","0.0015","6.008","0.0015","46.843","0.015","90","","90","","90","","1690.8","0.8","390","2","390","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32.96 Br10 N4 Pb3 -","- C16 H65.92 Br20 N8 Pb6 -","2","0.0625","","Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua","An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.","Journal of the American Chemical Society","2019","141","19","7693","7697","10.1021/jacs.9b02558","","","0.71073","MoKα","","0.0623","0.0475","","","0.1375","0.1518","","","","","","1.078","","","","has coordinates","223200","2020-10-21","18:00:00",""
"4127236","8.4247","0.0003","46.305","0.003","8.4256","0.0003","90","","90","","90","","3286.9","0.3","280","2","280","2","","","","","","","","5","C 2 e b","C -2ac 2","41","","","","- C8 H32 Br10 N4 Pb3 -","- C8 H32 Br10 N4 Pb3 -","- C32 H128 Br40 N16 Pb12 -","4","0.5","","Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua","An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.","Journal of the American Chemical Society","2019","141","19","7693","7697","10.1021/jacs.9b02558","","","0.71073","MoKα","","0.1602","0.1094","","","0.1926","0.2189","","","","","","1.113","","","","has coordinates","223200","2020-10-21","18:00:00",""
"4127237","19.8397","0.0006","16.8728","0.0005","19.6562","0.0007","90","","90","","90","","6579.9","0.4","193","","","","","","","","","","see text","2","P b c n","-P 2n 2ab","60","","","","- C78 H48 -","- C78 H48 -","- C312 H192 -","4","0.5","","Xu, Kun; Urgel, José I; Eimre, Kristjan; Di Giovannantonio, Marco; Keerthi, Ashok; Komber, Hartmut; Wang, Shiyong; Narita, Akimitsu; Berger, Reinhard; Ruffieux, Pascal; Pignedoli, Carlo A.; Liu, Junzhi; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","On-Surface Synthesis of a Nonplanar Porous Nanographene.","Journal of the American Chemical Society","2019","141","19","7726","7730","10.1021/jacs.9b03554","","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","223201","2020-10-21","18:00:00",""
"4127238","19.107","0.0014","12.1469","0.0008","17.3938","0.0011","90","","90","","90","","4036.9","0.5","130","2","130","2","","","","","","","","7","P n a 21","P 2c -2n","33","","2a","","- C39 H41 F6 Mo N3 O7 S2 -","- C39 H41 F6 Mo N3 O7 S2 -","- C156 H164 F24 Mo4 N12 O28 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0576","0.0353","","","0.0587","0.063","","","","","","1.02","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127239","22.397","0.0012","18.0764","0.001","11.9381","0.0007","90","","90","","90","","4833.2","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","5","","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C176 H204 Cl8 F24 Mo4 N12 O24 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0519","0.0437","","","0.1142","0.1202","","","","","","1.042","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127240","12.6134","0.0007","13.4666","0.0007","16.8383","0.001","85.916","0.003","73.747","0.002","75.819","0.002","2662.2","0.3","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","6a","","- C46 H47 Cl2 F8 Mo N3 O5 S -","- C46 H47 Cl2 F8 Mo N3 O5 S -","- C92 H94 Cl4 F16 Mo2 N6 O10 S2 -","2","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0503","0.0357","","","0.0889","0.0944","","","","","","1.034","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127241","15.1332","0.0018","15.1","0.0018","6.5509","0.0008","90","","90","","90","","1497","0.3","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","0.5","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0639","0.0388","","","0.084","0.0969","","","","","","1.032","","","","has coordinates,has disorder","223192","2020-10-21","18:00:00",""
"4127242","19.898","0.004","20.674","0.004","7.2318","0.0013","90","","91.89","0.002","90","","2973.3","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C128 H120 N24 O32 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.1196","0.0634","","","0.1567","0.1993","","","","","","0.968","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127243","7.3582","0.0008","9.6426","0.001","23.096","0.002","90","","94.383","0.001","90","","1633.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0884","0.06","","","0.1567","0.1842","","","","","","1.059","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127244","16.43","0.002","6.9255","0.0011","15.304","0.002","90","","92.064","0.002","90","","1740.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C72 H80 N16 O16 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0993","0.0524","","","0.1183","0.1466","","","","","","1.025","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127245","15.4094","0.0002","6.7356","0.0001","15.5716","0.0002","90","","109.499","0.001","90","","1523.51","0.04","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127246","17.0954","0.0016","12.4698","0.0012","7.1665","0.0007","90","","98.801","0.001","90","","1509.7","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","0.71073","MoKα","","0.0455","0.0392","","","0.0919","0.0977","","","","","","1.054","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127247","21.686","0.005","17.836","0.004","7.2977","0.0018","90","","90","","90","","2822.7","1.1","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4127248","10.703","0.003","16.17","0.005","22.076","0.006","90","","92.57","0.008","90","","3816.8","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cl6 N3 O18 Tb2 -","- C27 H21 Cl6 N3 O18 Tb2 -","- C108 H84 Cl24 N12 O72 Tb8 -","4","0.5","","Wang, Yaxing; Liu, Xin; Li, Xiaoyan; Zhai, Fuwan; Yan, Siqi; Liu, Ning; Chai, Zhifang; Xu, Yadong; Ouyang, Xiaoping; Wang, Shuao","Direct Radiation Detection by a Semiconductive Metal-Organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b01270","","","0.71073","MoKα","","0.0672","0.0495","","","0.1145","0.1214","","","","","","1.052","","","","has coordinates","215095","2020-10-21","18:00:00",""
"4127249","31.1172","0.0002","59.4899","0.0003","49.3791","0.0006","90","","92.154","0.001","90","","91344","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C317.33 H285.48 B34.92 Cs0.36 F2.7 Fe4 N37.58 O8.8 S0.9 -","- C314.15 H285.475 B38.1 Cs0.3645 F2.7 Fe4 N37.575 O8.8 S0.9 -","- C2513.2 H2283.8 B304.8 Cs2.916 F21.6 Fe32 N300.6 O70.4 S7.2 -","8","2","","Zhang, Dawei; Ronson, Tanya K.; Greenfield, Jake L.; Brotin, Thierry; Berthault, Patrick; Léonce, Estelle; Zhu, Jun-Long; Xu, Lin; Nitschke, Jonathan R.","Enantiopure [Cs<sup>+</sup>/Xe⊂Cryptophane]⊂Fe<sup>II</sup><sub>4</sub>L<sub>4</sub> Hierarchical Superstructures.","Journal of the American Chemical Society","2019","141","20","8339","8345","10.1021/jacs.9b02866","","","0.6889","Synchrotron","","0.1864","0.1183","","","0.3178","0.3703","","","","","","1.096","","","","has coordinates,has disorder","223193","2020-10-21","18:00:00",""
"4127250","19.568","0.003","13.466","0.0019","36.178","0.005","90","","90","","90","","9533","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40.67 H22.33 B12 F20 N4 -","- C40.675 H22.325 B12 F20 N4 -","- C325.4 H178.6 B96 F160 N32 -","8","2","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1082","0.0623","","","0.1549","0.184","","","","","","0.932","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127251","11.1361","0.0003","19.7611","0.0005","23.9982","0.0006","90","","93.821","0.001","90","","5269.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 B12 Br F20 N2 Si -","- C45 H45 B12 Br F20 N2 Si -","- C180 H180 B48 Br4 F80 N8 Si4 -","4","1","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","1.34138","GaKα","","0.1215","0.0954","","","0.2789","0.305","","","","","","1.041","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127252","12.895","0.004","13.313","0.005","9.993","0.003","90","","90","","90","","1715.5","1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H25 B11 N2 -","- C9 H25 B11 N2 -","- C36 H100 B44 N8 -","4","0.5","","Liu, Yizhen; Su, Bo; Dong, Weishi; Li, Zhen Hua; Wang, Huadong","Structural Characterization of a Boron(III) η<sup>2</sup>-σ-Silane-Complex.","Journal of the American Chemical Society","2019","141","20","8358","8363","10.1021/jacs.9b03213","","","0.71073","MoKα","","0.1059","0.0927","","","0.2138","0.2206","","","","","","1.14","","","","has coordinates","223195","2020-10-21","18:00:00",""
"4127253","15.9671","0.0016","22.041","0.002","18.9148","0.0018","90","","106.561","0.002","90","","6380.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H33.5 Br0.5 Co0.5 N -","- C42 H33.5 Br0.5 Co0.5 N -","- C336 H268 Br4 Co4 N8 -","8","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1577","0.0887","","","0.1894","0.2186","","","","","","1.112","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127254","12.594","0.009","14.092","0.01","20.413","0.016","75.348","0.011","84.047","0.01","64.97","0.012","3176","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H67 Co N2 -","- C84 H67 Co N2 -","- C168 H134 Co2 N4 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1082","0.0849","","","0.2532","0.2734","","","","","","1.042","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127255","11.9404","0.001","16.2194","0.0013","16.2288","0.0014","87.845","0.002","87.553","0.002","72.424","0.002","2992.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H70 Co N3 -","- C79 H70 Co N3 -","- C158 H140 Co2 N6 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.1455","0.0725","","","0.138","0.1628","","","","","","1.022","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127256","12.0205","0.0016","16.024","0.002","16.411","0.002","87.612","0.003","72.643","0.003","88.139","0.003","3013.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H68 Co N3 -","- C74 H68 Co N3 -","- C148 H136 Co2 N6 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.2465","0.0895","","","0.1843","0.2349","","","","","","0.956","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127257","16.068","0.001","16.5966","0.001","24.9849","0.0015","74.791","0.002","73.522","0.002","85.35","0.002","6165.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H144 Co2 N6 -","- C166 H144 Co2 N6 -","- C332 H288 Co4 N12 -","2","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.2475","0.1113","","","0.1773","0.2265","","","","","","1.01","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127258","12.7287","0.0007","16.217","0.0009","33.8667","0.0019","90","","95.843","0.002","90","","6954.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H79 Co N6 -","- C80 H79 Co N6 -","- C320 H316 Co4 N24 -","4","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.0733","0.0489","","","0.1044","0.1166","","","","","","1.062","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127259","13.4875","0.0007","16.1414","0.0008","33.4198","0.0017","90","","98.765","0.002","90","","7190.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H97 Co N6 -","- C88 H97 Co N6 -","- C352 H388 Co4 N24 -","4","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.129","0.0734","","","0.1422","0.1676","","","","","","1.066","","","","has coordinates,has disorder","223202","2020-10-21","18:00:00",""
"4127260","47.858","0.01","18.405","0.004","18.553","0.004","90","","103.82","0.03","90","","15869","6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H79 Co N6 -","- C86 H79 Co N6 -","- C688 H632 Co8 N48 -","8","1","","Baek, Yunjung; Betley, Theodore A.","Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.","Journal of the American Chemical Society","2019","141","19","7797","7806","10.1021/jacs.9b01262","","","0.71073","MoKα","","0.0638","0.044","","","0.0968","0.1053","","","","","","1.048","","","","has coordinates","223202","2020-10-21","18:00:00",""
"4127261","33.412","0.005","33.412","0.005","14.63","0.003","90","","90","","90","","16332","5","100","2","100","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C152 H224 F72 N52 O28 P12 Pd8 S4 -","- C152 H224 F72 N52 O28 P12 Pd8 S4 -","- C304 H448 F144 N104 O56 P24 Pd16 S8 -","2","0.25","","Saha, Rupak; Devaraj, Anthonisamy; Bhattacharyya, Soumalya; Das, Soumik; Zangrando, Ennio; Mukherjee, Partha Sarathi","Unusual Behaviour of Donor-Acceptor Stenhouse Adducts (DASA) in Confined Space of a Water Soluble PdII8 Molecular Vessel.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b03924","","","0.7","synchrotron","","0.1122","0.0751","","","0.2217","0.2452","","","","","","0.941","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4127262","13.3439","0.0011","13.9184","0.0011","25.1806","0.0019","93.843","0.005","90.086","0.005","109.902","0.005","4386","0.6","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H126 B Br Fe O6 P3 -","- C96 H126 B Br Fe O6 P3 -","- C192 H252 B2 Br2 Fe2 O12 P6 -","2","1","","Nesbit, Mark A.; Oyala, Paul H.; Peters, Jonas C.","Characterization of the Earliest Intermediate of Fe-N<sub>2</sub> Protonation: CW and Pulse EPR Detection of an Fe-NNH Species and Its Evolution to Fe-NNH<sub>2</sub><sup/>.","Journal of the American Chemical Society","2019","141","20","8116","8127","10.1021/jacs.8b12082","","","1.54178","CuKα","","0.1526","0.1122","","","0.2578","0.2874","","","","","","1.05","","","","has coordinates","223194","2020-10-21","18:00:00",""
"4127263","11.8779","0.0008","14.7827","0.0009","27.0968","0.0017","86.055","0.003","81.569","0.003","89.245","0.003","4695.3","0.5","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H138 B Fe N2 O6 P3 -","- C101 H138 B Fe N2 O6 P3 -","- C202 H276 B2 Fe2 N4 O12 P6 -","2","1","","Nesbit, Mark A.; Oyala, Paul H.; Peters, Jonas C.","Characterization of the Earliest Intermediate of Fe-N<sub>2</sub> Protonation: CW and Pulse EPR Detection of an Fe-NNH Species and Its Evolution to Fe-NNH<sub>2</sub><sup/>.","Journal of the American Chemical Society","2019","141","20","8116","8127","10.1021/jacs.8b12082","","","0.71073","MoKα","","0.1263","0.0695","","","0.1409","0.1623","","","","","","1.038","","","","has coordinates","223194","2020-10-21","18:00:00",""
"4127264","7.9408","0.0003","8.7181","0.0003","10.1314","0.0003","94.734","0.003","99.553","0.003","102.843","0.003","669.13","0.04","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Br N2 P4 Re -","- C20 H48 Br N2 P4 Re -","- C20 H48 Br N2 P4 Re -","1","0.5","","Shanahan, James P.; Szymczak, Nathaniel K.","Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation.","Journal of the American Chemical Society","2019","141","21","8550","8556","10.1021/jacs.9b02288","","x-ray","1.54184","CuKα","","0.0389","0.0389","","","0.1087","0.1087","","","","","","1.124","","","","has coordinates,has disorder","223211","2020-10-21","18:00:00",""
"4127265","7.6915","0.0003","13.4945","0.0006","16.2687","0.0007","90","","90","","90","","1688.58","0.12","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O8 S -","- C14 H18 N2 O8 S -","- C56 H72 N8 O32 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","1.54178","CuKα","","0.0469","0.045","","","0.1146","0.1211","","","","","","1.125","","","","has coordinates","223208","2020-10-21","18:00:00",""
"4127266","6.3115","0.0001","6.3115","0.0001","6.3115","0.0001","90","","90","","90","","251.419","0.007","293","","293","","","","","","","","","6","P m -3 m","-P 4 2 3","221","20% ethylenediamonium formamidinium methylamonium lead tin iodide","","","- C H0 I3 N2.503 Pb0.388 Sn0.412 -","- C I3 N2.52 Pb0.3885 Sn0.4124 -","- C I3 N2.52 Pb0.3885 Sn0.4124 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0434","0.0432","","","0.1181","0.1182","","","","4.47","4.47","4.43","","","","has coordinates","223210","2020-10-21","18:00:00",""
"4127267","6.3063","0.0004","6.3063","0.0004","6.3063","0.0004","90","","90","","90","","250.8","0.03","293","","293","","","","","","","","","6","P m -3 m","-P 4 2 3","221","5% ethylenediamonium formamidinium methylamonium lead tin iodide","","","- C H0 I3 N0.96 Pb0.524 Sn0.433 -","- C I3 N0.96 Pb0.5236 Sn0.433 -","- C I3 N0.96 Pb0.5236 Sn0.433 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0231","0.0231","","","0.069","0.069","","","","2.51","2.51","2.51","","","","has coordinates","223210","2020-10-21","18:00:00",""
"4127268","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223207","2020-10-21","18:00:00",""
"4127269","27.458","0.003","36.623","0.004","21.558","0.003","90","","116.955","0.002","90","","19324","4","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C288 H378 Co18 N8 O103 -","- C288 H66 Co18 N8 O103 -","- C576 H132 Co36 N16 O206 -","2","0.25","","Hu, Xiangquan; Chai, Jie; Zhang, Chen; Lang, Jinxin; Kelley, Steven P.; Feng, Sisi; Liu, Bin; Atwood, David A.; Atwood, Jerry L.","Biomimetic Self-Assembly of Co<sup>II</sup>-Seamed Hexameric Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2019","141","23","9151","9154","10.1021/jacs.9b02857","","","0.71073","MoKα","","0.153","0.1176","","","0.3582","0.3891","","","","","","1.627","","","","has coordinates,has disorder","223204","2020-10-21","18:00:00",""
"4127270","10.769","0.002","42.392","0.009","21.858","0.005","90","","92.984","0.003","90","","9965","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H100 N36 Ni8 O48.5 -","- C48 H100 N36 Ni8 O48.5 -","- C192 H400 N144 Ni32 O194 -","4","1","","Miyake, Ryosuke; Ando, Akira; Ueno, Manami; Muraoka, Takahiro","Formation of Giant and Small Cyclic Complexes from a Flexible Tripeptide Ligand Controlled by Metal Coordination and Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","22","8675","8679","10.1021/jacs.9b01541","","","0.71073","MoKα","","0.1135","0.0712","","","0.1501","0.1681","","","","","","0.996","","","","has coordinates","223196","2020-10-21","18:00:00",""
"4127271","19.2821","0.0004","19.3677","0.0004","34.7903","0.0005","88.3916","0.0013","86.2435","0.0013","85.6543","0.0015","12923.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C216 H180 Ag32 Cd12 Se36 -","- C216 H180 Ag32 Cd12 Se36 -","- C432 H360 Ag64 Cd24 Se72 -","2","1","","Bootharaju, Megalamane S.; Chang, Hogeun; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan","Cd<sub>12</sub>Ag<sub>32</sub>(SePh)<sub>36</sub>: Non-Noble Metal Doped Silver Nanoclusters.","Journal of the American Chemical Society","2019","141","21","8422","8425","10.1021/jacs.9b03257","","x-ray","1.54184","CuKα","","0.0741","0.063","","","0.1565","0.1666","","","","","","1.075","","","","has coordinates","223205","2020-10-21","18:00:00",""
"4127272","9.786","0.002","18.799","0.005","18.955","0.005","90","","90.261","0.005","90","","3487.1","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H51 Ag N2 -","- C39 H51 Ag N2 -","- C156 H204 Ag4 N8 -","4","2","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0631","0.0415","","","0.0799","0.0869","","","","","","1.011","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127273","9.17","0.002","15.012","0.003","9.662","0.002","90","","93.909","0.004","90","","1327","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 Ag Cl N -","- C27 H43 Ag Cl N -","- C54 H86 Ag2 Cl2 N2 -","2","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0379","0.0342","","","0.0814","0.0838","","","","","","1.043","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127274","9.808","0.0005","18.5499","0.0009","18.9205","0.001","90","","91.464","0.001","90","","3441.2","0.3","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Au N2 -","- C39 H51 Au N2 -","- C156 H204 Au4 N8 -","4","1","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0267","0.0206","","","0.0413","0.0428","","","","","","1.056","","","","has coordinates","223206","2020-10-21","18:00:00",""
"4127275","13.575","0.009","23.606","0.015","12.982","0.011","90","","113.56","0.03","90","","3813","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Au N3 O -","- C42 H50 Au N3 O -","- C168 H200 Au4 N12 O4 -","4","0.5","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0127","0.0121","","","0.0308","0.031","","","","","","1.074","","","","has coordinates,has disorder","223206","2020-10-21","18:00:00",""
"4127276","13.63","0.03","23.89","0.04","12.85","0.03","90","","113.92","0.03","90","","3825","14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C42H51AgN3O","","","- C42 H50 Ag N3 O -","- C42 H50 Ag N3 O -","- C168 H200 Ag4 N12 O4 -","4","0.5","","Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.","""Quick-Silver"" from a Systematic Study of Highly Luminescent, Two-Coordinate, d<sup>10</sup> Coinage Metal Complexes.","Journal of the American Chemical Society","2019","141","21","8616","8626","10.1021/jacs.9b03657","","","0.71073","MoKα","","0.0738","0.0646","","","0.1721","0.181","","","","","","1.119","","","","has coordinates,has disorder","223206","2020-10-21","18:00:00",""
"4127277","5.7759","0.0002","10.3846","0.0004","11.5759","0.0004","76.493","0.002","89.622","0.003","78.571","0.002","661.16","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F2 N O -","- C15 H17 F2 N O -","- C30 H34 F4 N2 O2 -","2","1","","Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.","Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.","Journal of the American Chemical Society","2019","141","21","8426","8430","10.1021/jacs.9b03372","","","1.54178","CuKα","","0.0703","0.0463","","","0.0976","0.1076","","","","","","1.046","","","","has coordinates","223209","2020-10-21","18:00:00",""
"4127278","16.556","0.003","5.9897","0.0011","17.839","0.002","90","","92.033","0.011","90","","1767.9","0.5","180","2","180","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.","Streamlined Synthesis of C(sp<sup>3</sup>)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.","Journal of the American Chemical Society","2019","141","21","8426","8430","10.1021/jacs.9b03372","","","1.54178","CuKα","","0.1315","0.075","","","0.1728","0.2021","","","","","","1.045","","","","has coordinates","223209","2020-10-21","18:00:00",""
"4127279","11.443","0.0004","14.658","0.0004","16.1254","0.0005","90","","90","","90","","2704.74","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0744","0.0647","","","0.1775","0.1898","","","","","","1.181","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127280","9.7516","0.0003","13.2713","0.0004","15.4202","0.0005","90","","90","","90","","1995.63","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0431","0.0415","","","0.1138","0.1145","","","","","","1.02","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127281","9.4957","0.0003","12.3869","0.0004","12.5187","0.0004","90","","90","","90","","1472.48","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0297","0.0293","","","0.079","0.0796","","","","","","1.071","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127283","13.9028","0.0003","14.2795","0.0003","16.7217","0.0004","112.768","0.001","103.651","0.001","91.157","0.001","2951.4","0.12","273.15","","273.15","","","","","","","","","6","P 1","P 1","1","","T3145","","- C81 H86 N2 O26 S4 Zn4 -","- C81 H86 N2 O26 S4 Zn4 -","- C81 H86 N2 O26 S4 Zn4 -","1","1","","Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong","Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07633","","","1.54178","CuKα","","0.0262","0.0243","","","0.0603","0.0608","","","","","","1.006","","","","has coordinates","219554","2020-10-21","18:00:00",""
"4127284","14.1506","0.0013","14.1506","0.0013","14.793","0.003","90","","90","","90","","2962.1","0.7","260.84","","260.84","","","","","","","","","5","P 4","P 4","75","","","","- C84 H68 O25 S4 Zn4 -","- C84 H68 O25 S4 Zn4 -","- C84 H68 O25 S4 Zn4 -","1","0.25","","Tan, Chunxia; Yang, Kuiwei; Dong, Jinqiao; Liu, Yuhao; Liu, Yan; Jiang, Jianwen; Cui, Yong","Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07633","","","0.71073","MoKα","","0.0993","0.0453","","","0.1062","0.1278","","","","","","0.925","","","","has coordinates","219555","2020-10-21","18:00:00",""
"4127285","10.557","0.0008","11.4035","0.0009","14.3239","0.0012","90","","108.725","0.009","90","","1633.1","0.2","195","","195","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Cu F N O8 -","- C15 H6 Cu F N O8 -","- C60 H24 Cu4 F4 N4 O32 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","1.54184","CuKα","","0.0939","0.078","","","0.2068","0.2265","","","","","","1.061","","","","has coordinates","219556","2020-10-21","18:00:00",""
"4127286","10.551","0.002","11.001","0.002","14.83","0.003","90","","108.79","0.03","90","","1629.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cu F N2 O5 -","- C16 H13 Cu F N2 O5 -","- C64 H52 Cu4 F4 N8 O20 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","0.71073","MoKα","","0.1177","0.0741","","","0.1244","0.1361","","","","","","1.131","","","","has coordinates","219557","2020-10-21","18:00:00",""
"4127287","10.488","0.002","10.412","0.002","15.057","0.003","90","","107.13","0.03","90","","1571.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H24 Cu4 F4 N5 O16 -","- C52 H24 Cu4 F4 N5 O16 -","- C52 H24 Cu4 F4 N5 O16 -","1","0.25","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","0.71073","MoKα","","0.0813","0.0756","","","0.2463","0.2517","","","","","","1.109","","","","has coordinates","219558","2020-10-21","18:00:00",""
"4127288","10.4862","0.0002","10.5374","0.0003","15.0449","0.0004","90","","106.838","0.003","90","","1591.15","0.07","298","0.1","298","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cu F N O4 -","- C13 H6 Cu F N O4 -","- C52 H24 Cu4 F4 N4 O16 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","x-ray","1.54184","CuKα","","0.0544","0.0407","","","0.1014","0.107","","","","","","1.044","","","","has coordinates","219559","2020-10-21","18:00:00",""
"4127289","10.5629","0.0002","11.3332","0.0002","14.6254","0.0003","90","","108.254","0.002","90","","1662.72","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cu F N7 O4 -","- C13 H6 Cu F N7 O4 -","- C52 H24 Cu4 F4 N28 O16 -","4","1","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","x-ray","1.54184","CuKα","","0.0652","0.0571","","","0.1605","0.1666","","","","","","1.041","","","","has coordinates","219560","2020-10-21","18:00:00",""
"4127290","10.489","0.0003","10.4486","0.0004","15.1078","0.0007","90","","106.787","0.004","90","","1585.19","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H24 Cu4 F4 N4 O16 -","- C53 H24 Cu4 F4 N4 O16 -","- C53 H24 Cu4 F4 N4 O16 -","1","0.25","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","","1.54178","CuKα","","0.119","0.1056","","","0.3028","0.3176","","","","","","1.235","","","","has coordinates","219561","2020-10-21","18:00:00",""
"4127291","10.5743","0.0007","10.6558","0.0007","15.2273","0.0012","90","","108.493","0.008","90","","1627.2","0.2","298","20","298","20","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cu2 F2 N2 O8 -","- C29 H22 Cu2 F2 N2 O8 -","- C58 H44 Cu4 F4 N4 O16 -","2","0.5","","Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He","Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07807","","x-ray","1.54184","CuKα","","0.1546","0.1033","","","0.3179","0.3438","","","","","","1.095","","","","has coordinates","219562","2020-10-21","18:00:00",""
"4127292","31.1081","0.0006","34.5316","0.0005","35.206","0.0006","90","","90","","90","","37818.7","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S28 -","- C252 H312 Ag42 F18 O24 S28 -","- C1008 H1248 Ag168 F72 O96 S112 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1602","0.105","","","0.2779","0.3333","","","","","","0.98","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127293","30.9371","0.0003","34.2544","0.0004","35.0758","0.0003","90","","90","","90","","37170.9","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S28 -","- C252 H312 Ag42 F18 O24 S28 -","- C1008 H1248 Ag168 F72 O96 S112 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1325","0.1129","","","0.306","0.3446","","","","","","1.287","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127294","31.1298","0.0006","35.2224","0.0004","33.9869","0.0004","90","","90","","90","","37265.5","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C1008 H1248 Ag168 F72 O96 S96 Se16 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1151","0.0947","","","0.25","0.2711","","","","","","1.035","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127295","30.9548","0.0006","33.9141","0.0005","35.3758","0.0006","90","","90","","90","","37137.7","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C1008 H1248 Ag168 F72 O96 S96 Se16 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1204","0.0861","","","0.2426","0.2693","","","","","","1.054","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127296","10","0.002","11.94","0.002","19.829","0.011","90","","90","","90","","2367.6","1.5","100","2","100","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C18 H10 O40 Zr6 -","- C18 H10 O40 Zr6 -","- C36 H20 O80 Zr12 -","2","0.125","","Wang, Sujing; Xhaferaj, Nertil; Wahiduzzaman, Mohammad; Oyekan, Kolade; Li, Xiao; Wei, Kevin; Zheng, Bin; Tissot, Antoine; Marrot, Jérôme; Shepard, William; Martineau-Corcos, Charlotte; Filinchuk, Yaroslav; Tan, Kui; Maurin, Guillaume; Serre, Christian","Engineering Structural Dynamics of Zirconium Metal-Organic Frameworks Based on Natural C4 Linkers.","Journal of the American Chemical Society","2019","141","43","17207","17216","10.1021/jacs.9b07816","","","0.8266","synchrotron","","0.1329","0.1086","","","0.3028","0.3548","","","","","","1.17","","","","has coordinates","223197","2020-10-21","18:00:00",""
"4127297","20.2043","0.0014","9.6506","0.0007","15.8482","0.0011","90","","91.3622","0.0011","90","","3089.3","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O2 Si2 -","- C37 H32 O2 Si2 -","- C148 H128 O8 Si8 -","4","1","","Rauch, Michael; Strater, Zack; Parkin, Gerard","Selective Conversion of Carbon Dioxide to Formaldehyde via a Bis(silyl)acetal: Incorporation of Isotopically Labeled C<sub>1</sub> Moieties Derived from Carbon Dioxide into Organic Molecules.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08342","","","0.71073","MoKα","","0.089","0.0526","","","0.1242","0.1451","","","","","","1.009","","","","has coordinates","219565","2020-10-21","18:00:00",""
"4127298","11.8773","0.0005","13.7328","0.0006","15.6523","0.0007","92.034","0.002","111.67","0.002","111.675","0.002","2160.73","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(η5-C5Me5)4Rh5H7.0.5pentane","","","- C42.5 H73 Rh5 -","- C42.5005 H73.001 Rh5 -","- C85.001 H146.002 Rh10 -","2","1","","Kim, Sangmin; Loose, Florian; Bezdek, Máté J; Wang, Xiaoping; Chirik, Paul J.","Hydrogenation of <i>N</i>-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09540","","","0.71073","MoKα","","0.0338","0.0272","","","0.0542","0.0574","","","","","","1.129","","","","has coordinates,has disorder","219566","2020-10-21","18:00:00",""
"4127299","11.475","0.0004","13.8939","0.0005","16.9005","0.0006","90","","93.671","0.001","90","","2688.96","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 N Rh2 -","- C33 H39 N Rh2 -","- C132 H156 N4 Rh8 -","4","1","","Kim, Sangmin; Loose, Florian; Bezdek, Máté J; Wang, Xiaoping; Chirik, Paul J.","Hydrogenation of <i>N</i>-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09540","","","0.71073","MoKα","","0.0364","0.0276","","","0.0527","0.0557","","","","","","1.092","","","","has coordinates","219567","2020-10-21","18:00:00",""
"4127300","10.3614","0.0008","8.2138","0.0006","16.4833","0.0012","90","","101.626","0.001","90","","1374.05","0.18","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","2","","Discolo, Christopher A.; Touney, Eric E.; Pronin, Sergey V.","Catalytic Asymmetric Radical-Polar Crossover Hydroalkoxylation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10645","","","0.71073","MoKα","","0.0637","0.0517","","","0.1109","0.1191","","","","","","1.059","","","","has coordinates","219569","2020-10-21","18:00:00",""
"4127301","13.6652","0.0003","13.9046","0.0004","18.5599","0.0004","106.776","0.002","95.603","0.002","105.556","0.002","3193.67","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 Cl2 N6 O2 Th -","- C64 H72 Cl2 N6 O2 Th -","- C128 H144 Cl4 N12 O4 Th2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.0517","0.0467","","","0.1217","0.1272","","","","","","1.028","","","","has coordinates,has disorder","219570","2020-10-21","18:00:00",""
"4127302","14.26444","0.00013","28.6778","0.0002","27.8019","0.0002","90","","103.623","0.0009","90","","11053","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cl2 N6 U -","- C56 H56 Cl2 N6 U -","- C448 H448 Cl16 N48 U8 -","8","2","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.056","0.0548","","","0.1304","0.131","","","","","","1.193","","","","has coordinates,has disorder","219571","2020-10-21","18:00:00",""
"4127303","13.5452","0.0007","13.9827","0.0006","14.4207","0.0011","92.95","0.005","113.741","0.006","93.357","0.004","2487.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H66 N6 O -","- C60 H66 N6 O -","- C120 H132 N12 O2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.0603","0.0536","","","0.1406","0.1479","","","","","","1.047","","","","has coordinates","219572","2020-10-21","18:00:00",""
"4127304","11.3443","0.0008","16.9737","0.0007","17.8448","0.0012","87.59","0.004","81.979","0.005","75.384","0.005","3292.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H89 N6 Np O2 Si2 -","- C72 H89 N6 Np O2 Si2 -","- C144 H178 N12 Np2 O4 Si4 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","0.71073","MoKα","","0.1517","0.0782","","","0.1416","0.1651","","","","","","0.95","","","","has coordinates,has disorder","219573","2020-10-21","18:00:00",""
"4127305","22.5656","0.0004","28.2946","0.0007","16.5351","0.0002","90","","92.474","0.001","90","","10547.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H112 Cl2 N12 O Th2 -","- C112 H112 Cl2 N12 O Th2 -","- C448 H448 Cl8 N48 O4 Th8 -","4","0.5","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","x-ray","1.54184","CuKα","","0.0618","0.0527","","","0.1476","0.1523","","","","","","1.076","","","","has coordinates","219574","2020-10-21","18:00:00",""
"4127306","11.4762","0.0005","17.0934","0.0006","17.9388","0.0006","95.711","0.003","105.514","0.004","107.181","0.003","3178","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 N6 O2 Si2 Th -","- C62 H74 N6 O2 Si2 Th -","- C124 H148 N12 O4 Si4 Th2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","1.54184","CuKα","","0.0541","0.0514","","","0.1372","0.1396","","","","","","1.058","","","","has coordinates,has disorder","219575","2020-10-21","18:00:00",""
"4127307","13.264","0.002","13.7607","0.0016","15.981","0.002","84.014","0.005","79.109","0.005","77.062","0.004","2785.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H58 Cl2 N6 O2 U -","- C57 H58 Cl2 N6 O2 U -","- C114 H116 Cl4 N12 O4 U2 -","2","1","","Brewster, 2nd, James T; Mangel, Daniel N.; Gaunt, Andrew J.; Saunders, Douglas P.; Zafar, Hadiqa; Lynch, Vincent M.; Boreen, Michael A.; Garner, Mary E.; Goodwin, Conrad A. P.; Settineri, Nicholas S.; Arnold, John; Sessler, Jonathan L.","In-Plane Thorium(IV), Uranium(IV), and Neptunium(IV) Expanded Porphyrin Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09123","","","0.71073","MoKα","","0.05","0.039","","","0.0836","0.0871","","","","","","1.002","","","","has coordinates","219576","2020-10-21","18:00:00",""
"4127308","13.0847","0.0006","32.8113","0.0016","13.7965","0.0007","90","","106.296","0.0018","90","","5685.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H42.5 B I1.5 N5 O2 -","- C23.5 H42.5 B I1.5 N5 O2 -","- C188 H340 B8 I12 N40 O16 -","8","1","","Leong, Bi-Xiang; Lee, Jiawen; Li, Yan; Yang, Ming-Chung; Siu, Chi-Kit; Su, Ming-Der; So, Cheuk-Wai","A Versatile NHC-Parent Silyliumylidene Cation for Catalytic Chemo- and Regioselective Hydroboration.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06714","","","0.71073","MoKα","","0.0868","0.0451","","","0.0799","0.0967","","","","","","1.022","","","","has coordinates,has disorder","219577","2020-10-21","18:00:00",""
"4127309","10.3622","0.0011","12.0606","0.001","15.3918","0.0014","93.849","0.005","91.457","0.008","110.577","0.01","1794.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H49 Cl2 N3 Ru -","- C39 H49 Cl2 N3 Ru -","- C78 H98 Cl4 N6 Ru2 -","2","1","","Wolf, William J.; Lin, Tzu-Pin; Grubbs, Robert H.","Examining the Effects of Monomer and Catalyst Structure on the Mechanism of Ruthenium-Catalyzed Ring-Opening Metathesis Polymerization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08835","","","1.54178","CuKα","","0.0469","0.0386","","","0.0893","0.0925","","","","","","1.034","","","","has coordinates","219578","2020-10-21","18:00:00",""
"4127310","8.731","0.003","18.33","0.006","18.881","0.006","62.204","0.007","85.045","0.008","77.442","0.007","2608.7","1.5","100","2","100.16","","","","","","","","","4","P 1","P 1","1","","","","- C64 H52 N6 O13 -","- C64 H52 N6 O13 -","- C128 H104 N12 O26 -","2","2","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","0.71073","MoKα","","0.2764","0.0997","","","0.1748","0.2365","","","","","","0.973","","","","has coordinates","219579","2020-10-21","18:00:00",""
"4127311","34.5345","0.0011","34.5345","0.0011","8.5499","0.0004","90","","90","","120","","8830.8","0.6","100","2","99.95","","","","","","","","","4","P 62","P 62","171","","","","- C66 H55 N7 O13 -","- C66 H55 N7 O13 -","- C396 H330 N42 O78 -","6","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.0846","0.0706","","","0.1908","0.2038","","","","","","1.025","","","","has coordinates,has disorder","219580","2020-10-21","18:00:00",""
"4127312","18.1136","0.001","15.648","0.0009","27.3059","0.0015","90","","91.229","0.004","90","","7737.8","0.7","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H52 Cl2 N6 O12 S12 -","- C78.9999 H55.9998 Cl1.9998 N6 O12 S12 -","- C316 H223.999 Cl7.9992 N24 O48 S48 -","4","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.2057","0.1947","","","0.372","0.378","","","","","","1.044","","","","has coordinates,has disorder","219581","2020-10-21","18:00:00",""
"4127313","15.9512","0.0011","15.0324","0.0011","25.0891","0.0017","90","","90.488","0.002","90","","6015.8","0.7","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H59 N10 O12.5 -","- C70 H58.9999 N10 O12.5 -","- C280 H235.999 N40 O50 -","4","2","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","0.71073","MoKα","","0.0732","0.0574","","","0.1387","0.148","","","","","","1.029","","","","has coordinates,has disorder","219582","2020-10-21","18:00:00",""
"4127314","26.2442","0.001","26.2442","0.001","26.2442","0.001","90","","90","","90","","18075.9","1.2","100","2","99.99","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C62 H44.71 Cl5.11 N6 O12 -","- C62 H44.72 Cl5.10833 N6 O12 -","- C744 H536.64 Cl61.3 N72 O144 -","12","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.0697","0.0618","","","0.1651","0.171","","","","","","1.028","","","","has coordinates,has disorder","219583","2020-10-21","18:00:00",""
"4127315","15.8923","0.001","15.9624","0.001","16.7921","0.0011","69.423","0.004","69.34","0.004","70.959","0.004","3630.8","0.4","103","2","103.26","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H53 N6 O12 S10 -","- C75 H53 N6 O12 S10 -","- C150 H106 N12 O24 S20 -","2","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.2059","0.1995","","","0.4607","0.4653","","","","","","1.017","","","","has coordinates,has disorder","219584","2020-10-21","18:00:00",""
"4127316","11.9427","0.0006","12.7996","0.0006","12.8505","0.0006","101.242","0.004","92.464","0.004","110","0.004","1797.6","0.16","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Pery-RPIC","","- C49 H40 N2 O -","- C49 H40 N2 O -","- C98 H80 N4 O2 -","2","1","","Tokunaga, Ayako; Uriarte, Lucas Martinez; Mutoh, Katsuya; Fron, Eduard; Hofkens, Johan; Sliwa, Michel; Abe, Jiro","Photochromic Reaction by Red Light via Triplet Fusion Upconversion.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08219","","x-ray","0.71073","MoKα","","0.0803","0.0538","","","0.1372","0.1515","","","","","","0.971","","","","has coordinates","219585","2020-10-21","18:00:00",""
"4127317","7.7077","0.0011","19.398","0.003","12.6503","0.0019","90","","106.879","0.0018","90","","1809.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br N2 Ni -","- C20 H24 Br N2 Ni -","- C80 H96 Br4 N8 Ni4 -","4","1","","Lin, Qiao; Diao, Tianning","Mechanism of Ni-Catalyzed Reductive 1,2-Dicarbofunctionalization of Alkenes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10026","","","0.71073","MoKα","","0.062","0.0465","","","0.0969","0.1032","","","","","","1.065","","","","has coordinates","220326","2020-10-21","18:00:00",""
"4127318","13.7356","0.0003","21.0255","0.0006","14.9229","0.0004","90","","98.498","0.003","90","","4262.39","0.19","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H18 B Cu F23 N5 O -","- C44 H18 B Cu F22.997 N5 O -","- C176 H72 B4 Cu4 F91.988 N20 O4 -","4","1","","Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N<sub>2</sub>O<sub>(g)</sub> Release.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07286","","","0.71073","MoKα","","0.053","0.0455","","","0.0978","0.1008","","","","","","1.182","","","","has coordinates,has disorder","220546","2020-10-21","18:00:00",""
"4127319","12.9025","0.0003","14.0738","0.0003","14.2648","0.0004","112.444","0.002","100.148","0.002","97.126","0.002","2303.95","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H27 B Cu F20 N6 O3 -","- C47 H27 B Cu F20 N6 O3 -","- C94 H54 B2 Cu2 F40 N12 O6 -","2","1","","Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N<sub>2</sub>O<sub>(g)</sub> Release.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07286","","","0.71073","MoKα","","0.0422","0.0342","","","0.0777","0.0818","","","","","","1.017","","","","has coordinates","220547","2020-10-21","18:00:00",""
"4127320","11.7695","0.0003","11.9142","0.0003","15.9223","0.0003","77.7948","0.0018","87.2621","0.0017","86.989","0.0019","2177.67","0.09","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H26 B Cu F20 N5 O -","- C47 H26 B Cu F20 N5 O -","- C94 H52 B2 Cu2 F40 N10 O2 -","2","1","","Wijeratne, Gayan B.; Bhadra, Mayukh; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I) Complex Mediated Nitric Oxide Reductive Coupling: Ligand Hydrogen Bonding Derived Proton Transfer Promotes N<sub>2</sub>O<sub>(g)</sub> Release.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07286","","","1.54178","CuKα","","0.0404","0.034","","","0.0862","0.091","","","","","","1.024","","","","has coordinates","220548","2020-10-21","18:00:00",""
"4127321","26.2333","0.001","10.4524","0.0004","17.5317","0.0007","90","","101.095","0.002","90","","4717.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 Br N6 O2 -","- C24 Br N6 O2 -","- C192 Br8 N48 O16 -","8","1","","Li, Yang; Liang, Yujie; Dong, Junchao; Deng, Yi; Zhao, Chunyang; Su, Zhongmin; Guan, Wei; Bi, Xihe; Liu, Qun; Fu, Junkai","Directed Copper-Catalyzed Intermolecular Aminative Difunctionalization of Unactivated Alkenes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07607","","","1.54178","CuKα","","0.0927","0.0799","","","0.2444","0.2574","","","","","","1.065","","","","has coordinates","220549","2020-10-21","18:00:00",""
"4127322","16.375","0.002","16.9785","0.0019","8.8933","0.001","90","","103.776","0.007","90","","2401.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 Br N3 O2 -","- C26 Br N3 O2 -","- C104 Br4 N12 O8 -","4","1","","Li, Yang; Liang, Yujie; Dong, Junchao; Deng, Yi; Zhao, Chunyang; Su, Zhongmin; Guan, Wei; Bi, Xihe; Liu, Qun; Fu, Junkai","Directed Copper-Catalyzed Intermolecular Aminative Difunctionalization of Unactivated Alkenes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07607","","","1.54178","CuKα","","0.0894","0.0656","","","0.1786","0.1985","","","","","","1.0571","","","","has coordinates","220550","2020-10-21","18:00:00",""
"4127323","14.2048","0.001","16.4078","0.001","25.0897","0.0016","96.289","0.004","94.009","0.004","98.065","0.004","5733.3","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H107 F24 N15 P4 -","- C112 H107 F24 N15 P4 -","- C224 H214 F48 N30 P8 -","2","1","","Dumartin, Melissa; Lipke, Mark C.; Stoddart, J. Fraser","A Redox-Switchable Molecular Zipper.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09756","","","1.54178","CuKα","","0.0839","0.0718","","","0.1845","0.1943","","","","","","1.035","","","","has coordinates,has disorder","220551","2020-10-21","18:00:00",""
"4127324","7.4334","0.0005","8.6838","0.0006","30.722","0.002","90","","90","","90","","1983.1","0.2","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Au B Cl2 F4 N2 O -","- C14 H19 Au B Cl2 F4 N3 O -","- C56 H76 Au4 B4 Cl8 F16 N12 O4 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.0402","0.0342","","","0.0706","0.0733","","","","","","1.104","","","","has coordinates","220552","2020-10-21","18:00:00",""
"4127325","7.6982","0.0007","9.3376","0.0008","15.6254","0.0014","90","","102.663","0.002","90","","1095.88","0.17","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H15 Au B Br2 F4 N2 O3 -","- C12 H15 Au B Br2 F4 N2 O3 -","- C24 H30 Au2 B2 Br4 F8 N4 O6 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","x-ray","0.71073","MoKα","","0.0564","0.0448","","","0.1135","0.1198","","","","","","1.05","","","","has coordinates","220553","2020-10-21","18:00:00",""
"4127326","8.7138","0.0008","9.4502","0.0009","10.8207","0.001","90","","111.987","0.002","90","","826.25","0.13","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Au Br2 N3 O4 -","- C12 H16 Au Br2 N3 O4 -","- C24 H32 Au2 Br4 N6 O8 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","x-ray","0.71073","MoKα","","0.0304","0.0246","","","0.045","0.0465","","","","","","0.886","","","","has coordinates","220554","2020-10-21","18:00:00",""
"4127327","8.6725","0.0016","9.1766","0.0016","10.855","0.0018","90","","112.84","0.004","90","","796.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Au Cl2 N3 O4 -","- C12 H16 Au Cl2 N3 O4 -","- C24 H32 Au2 Cl4 N6 O8 -","2","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.0293","0.0274","","","0.0654","0.0661","","","","","","1.051","","","","has coordinates","220555","2020-10-21","18:00:00",""
"4127328","7.585","0.003","8.843","0.003","28.858","0.011","90","","90","","90","","1935.6","1.2","101","2","101.11","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Au Br2 F3 N2 O3 -","- C14 H16 Au Br2 F3 N2 O3 -","- C56 H64 Au4 Br8 F12 N8 O12 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.03","0.025","","","0.0502","0.0513","","","","","","1.041","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127329","7.4001","0.0008","7.4001","0.0008","13.0435","0.0007","90","","90","","120","","618.59","0.1","473","2","473","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 Co Dy N6 -","- C6 Co Dy N6 -","- C12 Co2 Dy2 N12 -","2","0.0833333","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.0628","0.0605","","","0.0712","0.0716","","","","","","1.699","","","","has coordinates","220596","2020-10-21","18:00:00",""
"4127330","7.3044","0.0008","12.6494","0.0013","13.368","0.0013","90","","90","","90","","1235.2","0.2","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 Co Dy N6 O4 -","- C6 Co Dy N6 O4 -","- C24 Co4 Dy4 N24 O16 -","4","0.25","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.1688","0.1636","","","0.3041","0.3061","","","","","","1.455","","","","has coordinates","220597","2020-10-21","18:00:00",""
"4127331","7.3151","0.0005","12.6818","0.001","13.5464","0.0009","90","","90","","90","","1256.68","0.16","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 Co Dy N6 O4 -","- C6 H8 Co Dy N6 O4 -","- C24 H32 Co4 Dy4 N24 O16 -","4","0.25","","Xin, Yue; Wang, Junhao; Zychowicz, Mikolaj; Zakrzewski, Jakub J.; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Dehydration-Hydration Switching of Single-Molecule Magnet Behavior and Visible Photoluminescence in a Cyanido-Bridged Dy<sup>III</sup>Co<sup>III</sup> Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09103","","x-ray","0.71075","MoKα","","0.0441","0.0398","","","0.0647","0.0655","","","","","","1.292","","","","has coordinates","220598","2020-10-21","18:00:00",""
"4127332","9.875","0.002","12.094","0.002","12.985","0.003","88.66","0.03","89.03","0.03","78.79","0.03","1520.7","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N8 O2 -","- C33 H36 N8 O2 -","- C66 H72 N16 O4 -","2","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.0836","0.0759","","","0.1684","0.1739","","","","","","1.144","","","","has coordinates,has disorder","220599","2020-10-21","18:00:00",""
"4127333","8.9866","0.0008","10.5513","0.0012","16.649","0.002","82.623","0.006","75.554","0.006","75.609","0.006","1477.1","0.3","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N9 O -","- C32 H35 N9 O -","- C64 H70 N18 O2 -","2","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.0699","0.064","","","0.1513","0.1556","","","","","","1.103","","","","has coordinates","220600","2020-10-21","18:00:00",""
"4127334","9.05225","0.00014","19.7715","0.0003","18.5487","0.0003","90","","98.6918","0.0015","90","","3281.66","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O2 -","- C36 H42 N8 O2 -","- C144 H168 N32 O8 -","4","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","x-ray","1.54184","CuKα","","0.0634","0.0485","","","0.1303","0.1354","","","","","","1.208","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127335","9.994","0.003","12","0.003","13.119","0.004","87.306","0.007","88.844","0.008","80.607","0.009","1550.4","0.8","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N8 O -","- C33 H36 N8 O -","- C66 H72 N16 O2 -","2","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.1263","0.1099","","","0.2991","0.3097","","","","","","2.013","","","","has coordinates,has disorder","220602","2020-10-21","18:00:00",""
"4127336","22.8735","0.0003","13.41873","0.00018","24.0089","0.0003","90","","90","","90","","7369.13","0.17","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H43 Cl3 N8 O2 -","- C37 H43 Cl3 N8 O2 -","- C296 H344 Cl24 N64 O16 -","8","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","x-ray","1.54184","CuKα","","0.0769","0.0674","","","0.1872","0.1975","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127337","9.67","0.002","17.076","0.004","17.71","0.004","90","","98.25","0.003","90","","2894.1","1.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N9 -","- C32 H33 N9 -","- C128 H132 N36 -","4","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","","0.71073","MoKα","","0.11","0.0931","","","0.1916","0.202","","","","","","1.152","","","","has coordinates,has disorder","220604","2020-10-21","18:00:00",""
"4127338","13.2016","0.0002","13.2016","0.0002","20.4473","0.0006","90","","90","","120","","3086.17","0.11","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C120 H144 O30 -","6","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","1.54184","CuKα","","0.0419","0.0374","","","0.101","0.105","","","","","","1.053","","","","has coordinates","220623","2020-10-21","18:00:00",""
"4127339","13.1614","0.0014","13.9623","0.0018","32.099","0.005","90","","96.405","0.012","90","","5861.8","1.3","179.97","0.13","179.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 O4 Si2 -","- C25 H48 O4 Si2 -","- C200 H384 O32 Si16 -","8","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.1571","0.1193","","","0.2466","0.2644","","","","","","1.027","","","","has coordinates","220624","2020-10-21","18:00:00",""
"4127340","6.0694","0.0001","12.5162","0.0003","19.1277","0.0004","73.301","0.002","83.663","0.002","87.804","0.002","1383.24","0.05","179.98","0.1","179.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","","0.71073","MoKα","","0.0608","0.0444","","","0.1148","0.1229","","","","","","1.061","","","","has coordinates","220625","2020-10-21","18:00:00",""
"4127341","7.4362","0.0002","42.8598","0.0011","10.2836","0.0003","90","","91.457","0.002","90","","3276.47","0.15","180.1","0.3","180.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 O5 Si2 -","- C30 H54 O5 Si2 -","- C120 H216 O20 Si8 -","4","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0717","0.0603","","","0.1327","0.1374","","","","","","1.035","","","","has coordinates","220626","2020-10-21","18:00:00",""
"4127342","21.1666","0.001","7.7501","0.0003","12.954","0.0005","90","","108.914","0.004","90","","2010.28","0.15","180","0.1","180","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C80 H112 O32 -","8","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0354","0.0337","","","0.0941","0.0958","","","","","","1.032","","","","has coordinates","220627","2020-10-21","18:00:00",""
"4127343","14.9673","0.0004","10.4532","0.0003","20.7264","0.0007","90","","93.571","0.003","90","","3236.48","0.17","180","0.2","180","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","2","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0786","0.0578","","","0.1475","0.1607","","","","","","1.029","","","","has coordinates,has disorder","220628","2020-10-21","18:00:00",""
"4127344","6.5809","0.0003","19.9485","0.0012","10.8622","0.0005","90","","103.053","0.005","90","","1389.13","0.13","180.1","0.4","180.1","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao","Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.","Journal of the American Chemical Society","2019","141","20","8372","8380","10.1021/jacs.9b03978","","x-ray","0.71073","MoKα","","0.0681","0.0508","","","0.1276","0.135","","","","","","1.042","","","","has coordinates","220629","2020-10-21","18:00:00",""
"4127345","28.23","0.0003","28.23","0.0003","28.23","0.0003","90","","90","","90","","22497.4","0.4","250","","250","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10.62 H7 Hf0.75 O5 V0.1 -","- C10.625 H7 Hf0.75 O5 V0.1 -","- C255 H168 Hf18 O120 V2.4 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","x-ray","1.54178","CuKα","","0.215","0.1894","","","0.6168","0.6381","","","","","","3.04","","","","has coordinates,has disorder","220630","2020-10-21","18:00:00",""
"4127346","28.0224","0.0008","28.0224","0.0008","28.0224","0.0008","90","","90","","90","","22004.7","1.1","100","","100","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C40 H28 Hf3 O16 -","- C40 H28 Hf3 O16 -","- C240 H168 Hf18 O96 -","6","0.125","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","x-ray","0.71073","MoKα","","0.0967","0.0605","","","0.1393","0.1739","","","","","","1.066","","","","has coordinates,has disorder","220631","2020-10-21","18:00:00",""
"4127347","28.2644","0.0004","28.2644","0.0004","28.2644","0.0004","90","","90","","90","","22579.8","0.6","200","","200","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C10.62 H7 O5.2 V0.1 Zr0.75 -","- C10.625 H7 O5.2 V0.1 Zr0.75 -","- C255 H168 O124.8 V2.4 Zr18 -","24","0.5","","Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.","Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.","Journal of the American Chemical Society","2019","141","20","8306","8314","10.1021/jacs.9b02603","","","1.54178","CuKα","","0.1608","0.1458","","","0.5059","0.559","","","","","","2.692","","","","has coordinates,has disorder","220632","2020-10-21","18:00:00",""
"4127348","17.0704","0.0003","17.0704","0.0003","32.8329","0.0006","90","","90","","90","","9567.5","0.3","100","2","100","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C144 H188 N76 Ni14 O12 -","- C144 H188 N76 Ni14 O12 -","- C288 H376 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.055","0.0458","","","0.1206","0.1274","","","","","","1.05","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127349","25.8521","0.0006","25.8521","0.0006","16.8589","0.0006","90","","90","","90","","11267.3","0.5","293","2","293","2","","","","","","","","5","P 4 2 2","P 4 2","89","","","","- C144 H192 N76 Ni14 O12 -","- C144 H192 N76 Ni14 O12 -","- C288 H384 N152 Ni28 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.0863","0.0516","","","0.1147","0.1336","","","","","","0.937","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127350","17.00574","0.00007","17.00574","0.00007","33.0599","0.0002","90","","90","","90","","9560.76","0.08","100","2","100","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C144 H192 Cu6 N76 Ni8 O12 -","- C144 H192 Cu6 N76 Ni8 O12 -","- C288 H384 Cu12 N152 Ni16 O24 -","2","0.25","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54184","CuKα","","0.0662","0.0638","","","0.1831","0.1867","","","","","","1.06","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127351","13.2775","0.0005","12.4308","0.0004","15.8978","0.0007","90","","98.606","0.004","90","","2594.39","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N11 Ni O6 -","- C18 H27 N11 Ni O6 -","- C72 H108 N44 Ni4 O24 -","4","1","","Zhang, Xiang; Dong, Xia; Lu, Weigang; Luo, Dong; Zhu, Xiao-Wei; Li, Xue; Zhou, Xiao-Ping; Li, Dan","Fine-Tuning Apertures of Metal-Organic Cages: Encapsulation of Carbon Dioxide in Solution and Solid State.","Journal of the American Chemical Society","2019","141","29","11621","11627","10.1021/jacs.9b04520","","","1.54178","CuKα","","0.0696","0.0575","","","0.1737","0.1856","","","","","","1.028","","","","has coordinates","220633","2020-10-21","18:00:00",""
"4127352","12.84","0.003","45.11","0.009","20.49","0.004","90","","96.9","0.03","90","","11782","4","133","2","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5 -","- C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5 -","- C388 H620 K12 Mn12 N60 O52 P24 -","16","4","","Freitag, Frederik; Irrgang, Torsten; Kempe, Rhett","Mechanistic Studies of Hydride Transfer to Imines from a Highly Active and Chemoselective Manganate Catalyst.","Journal of the American Chemical Society","2019","141","29","11677","11685","10.1021/jacs.9b05024","","","0.71073","MoKα","","0.1474","0.0983","","","0.2702","0.328","","","","","","1.06","","","","has coordinates,has disorder","220634","2020-10-21","18:00:00",""
"4127353","24.5951","0.0005","25.8919","0.0004","33.0285","0.0004","82.294","0.001","80.788","0.001","67.08","0.001","19063","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C295 H187.5 Ag12 Cl2 F60 N72.5 O48 S20 -","- C278.4 H187.5 Ag12 Cl2 F10.2 N64.2 O14.8 S3.4 -","- C556.8 H375 Ag24 Cl4 F20.4 N128.4 O29.6 S6.8 -","2","1","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1255","0.0919","","","0.2812","0.3151","","","","","","1.01","","","","has coordinates,has disorder","220635","2020-10-21","18:00:00",""
"4127354","23.3103","0.0003","27.5339","0.0003","34.0879","0.0004","87.797","0.001","79.35","0.001","70.874","0.001","20308.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C275.5 H186.75 Ag12 F69 N62.25 O3 P11 S -","- C275.5 H186.75 Ag12 F53.8998 N62.25 O3 P8.4833 S -","- C551 H373.5 Ag24 F107.8 N124.5 O6 P16.9666 S2 -","2","1","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1185","0.0845","","","0.27","0.2943","","","","","","1.03","","","","has coordinates,has disorder","220636","2020-10-21","18:00:00",""
"4127355","43.3421","0.0004","32.8367","0.0002","27.6735","0.0002","90","","93.269","0.001","90","","39321.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C325 H242 Ag12 F60 N83 O49.5 S22 -","- C320.6 H225.702 Ag12 F46.8 N80.8 O40.708 S17.6 -","- C1282.4 H902.808 Ag48 F187.2 N323.2 O162.832 S70.4 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1192","0.0888","","","0.2773","0.3047","","","","","","1.117","","","","has coordinates,has disorder","220637","2020-10-21","18:00:00",""
"4127356","42.8029","0.0007","32.731","0.0004","27.8538","0.0005","90","","93.412","0.001","90","","38953.5","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C314 H216 Ag12 F60 N82 O48 S22 -","- C308.2 H216 Ag12 F42.6 N79.1 O36.4 S16.2 -","- C1232.8 H864 Ag48 F170.4 N316.4 O145.6 S64.8 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1175","0.0872","","","0.2573","0.2907","","","","","","1.044","","","","has coordinates,has disorder","220638","2020-10-21","18:00:00",""
"4127357","43.6194","0.0003","32.4028","0.0003","27.3509","0.0002","90","","92.564","0.001","90","","38618.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C337 H260 Ag12 F60 N88 O48 S22 -","- C337.004 H230.5 Ag12 F60.012 N88.002 O48.008 S22.004 -","- C1348.02 H922 Ag48 F240.048 N352.008 O192.032 S88.016 -","4","0.5","","Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Anion Pairs Template a Trigonal Prism with Disilver Vertices.","Journal of the American Chemical Society","2019","141","29","11409","11413","10.1021/jacs.9b05432","","","0.6889","Synchrotron","","0.1007","0.0666","","","0.198","0.2239","","","","","","1.014","","","","has coordinates,has disorder","220639","2020-10-21","18:00:00",""
"4127358","10.45","0.0005","4.7965","0.0002","17.7602","0.0008","90","","90","","90","","890.2","0.07","295","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cesium lead triiodoplumbate","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.029","0.0202","","","0.0313","0.033","","","","","","1.107","","","","has coordinates","220640","2020-10-21","18:00:00",""
"4127359","8.8637","0.0008","12.4838","0.0012","8.5783","0.0008","90","","90","","90","","949.21","0.15","295","2","295.03","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Straus, Daniel B.; Guo, Shu; Cava, Robert J.","Kinetically Stable Single Crystals of Perovskite-Phase CsPbI<sub>3</sub>.","Journal of the American Chemical Society","2019","141","29","11435","11439","10.1021/jacs.9b06055","","","0.71073","MoKα","","0.0645","0.0349","","","0.0599","0.0679","","","","","","1.047","","","","has coordinates","220641","2020-10-21","18:00:00",""
"4127360","23.8076","0.0011","23.8076","0.0011","19.7236","0.001","90","","90","","90","","11179.4","0.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O38 Th6 -","- C80 H60 O38 Th6 -","- C160 H120 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0836","0.0893","","","","","","1.043","","","","has coordinates","220642","2020-10-21","18:00:00",""
"4127361","23.8372","0.0009","23.8372","0.0009","19.7212","0.0008","90","","90","","90","","11205.8","0.8","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O38 Th6 -","- C80 H60 O38 Th6 -","- C160 H120 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0578","0.0463","","","0.1295","0.1424","","","","","","1.072","","","","has coordinates","220643","2020-10-21","18:00:00",""
"4127362","23.8841","0.0016","23.8841","0.0016","19.6378","0.0014","90","","90","","90","","11202.4","1.3","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C102 H76 O38 Th6 -","- C102 H76 O38 Th6 -","- C204 H152 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0341","0.029","","","0.0764","0.0803","","","","","","1.058","","","","has coordinates","220644","2020-10-21","18:00:00",""
"4127363","25.5223","0.0017","25.5223","0.0017","14.6275","0.0011","90","","90","","90","","9528.2","1.1","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 Th6 -","- C64 H48 O34 Th6 -","- C128 H96 O68 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.1223","0.0895","","","0.2378","0.2657","","","","","","1.049","","","","has coordinates","220645","2020-10-21","18:00:00",""
"4127364","25.114","0.003","25.114","0.003","15.2262","0.0016","90","","90","","90","","9603.4","1.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 U6 -","- C64 H48 O34 U6 -","- C128 H96 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.1441","0.103","","","0.2896","0.3499","","","","","","1.304","","","","has coordinates","220646","2020-10-21","18:00:00",""
"4127365","24.0205","0.0008","24.0205","0.0008","19.7574","0.0006","90","","90","","90","","11399.7","0.6","301","2","301","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80 H60 O37 Th6 -","- C80 H60 O37 Th6 -","- C160 H120 O74 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0527","0.0316","","","0.0802","0.086","","","","","","1.082","","","","has coordinates,has disorder","220647","2020-10-21","18:00:00",""
"4127366","27.8788","0.001","27.8788","0.001","27.8788","0.001","90","","90","","90","","21668.2","1.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C102 H90 N6 O38 Th6 -","- C102 H90 N6 O38 Th6 -","- C408 H360 N24 O152 Th24 -","4","0.0208333","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0272","0.0226","","","0.0586","0.0615","","","","","","1.166","","","","has coordinates","220648","2020-10-21","18:00:00",""
"4127367","25.142","0.0015","25.142","0.0015","15.1163","0.0009","90","","90","","90","","9555.3","1","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O34 U6 -","- C64 H48 O34 U6 -","- C128 H96 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0787","0.0559","","","0.1479","0.171","","","","","","1.035","","","","has coordinates","220649","2020-10-21","18:00:00",""
"4127368","23.8341","0.0016","23.8341","0.0016","19.7558","0.0014","90","","90","","90","","11222.6","1.3","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C70 H40 O38 Th6 -","- C70 H40 O38 Th6 -","- C140 H80 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0391","0.029","","","0.0788","0.0836","","","","","","1.05","","","","has coordinates","220650","2020-10-21","18:00:00",""
"4127369","23.9422","0.001","23.9422","0.001","19.4231","0.001","90","","90","","90","","11133.9","0.9","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O38 Th6 -","- C64 H48 O38 Th6 -","- C128 H96 O76 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.072","0.0581","","","0.1469","0.1645","","","","","","1.047","","","","has coordinates","220651","2020-10-21","18:00:00",""
"4127370","23.6374","0.001","23.6374","0.001","19.3363","0.0009","90","","90","","90","","10803.7","0.8","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C84 H60 F6 O34 U6 -","- C84 H60 F6 O34 U6 -","- C168 H120 F12 O68 U12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0671","0.048","","","0.1233","0.1359","","","","","","1.035","","","","has coordinates","220652","2020-10-21","18:00:00",""
"4127371","23.7918","0.0008","23.7918","0.0008","19.6923","0.0007","90","","90","","90","","11146.8","0.7","100","2","100","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C80 H60 N2 O40 Th6 -","- C80 H60 N2 O40 Th6 -","- C160 H120 N4 O80 Th12 -","2","0.125","","Ejegbavwo, Otega A.; Martin, Corey R.; Olorunfemi, Oyindamola A.; Leith, Gabrielle A.; Ly, Richard T.; Rice, Allison M.; Dolgopolova, Ekaterina A.; Smith, Mark D.; Karakalos, Stavros G.; Birkner, Nancy; Powell, Brian A.; Pandey, Shubham; Koch, Robert J.; Misture, Scott T.; Loye, Hans-Conrad Zur; Phillpot, Simon R.; Brinkman, Kyle S.; Shustova, Natalia B.","Thermodynamics and Electronic Properties of Heterometallic Multinuclear Actinide-Containing Metal-Organic Frameworks with ""Structural Memory"".","Journal of the American Chemical Society","2019","141","29","11628","11640","10.1021/jacs.9b04737","","x-ray","0.71073","MoKα","","0.0544","0.0438","","","0.1131","0.1211","","","","","","1.042","","","","has coordinates","220653","2020-10-21","18:00:00",""
"4127372","12.7477","0.0003","13.0092","0.0003","19.8574","0.0004","92.3462","0.0017","90.9972","0.0016","96.6033","0.0017","3267.7","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C124 H136 B2 F48 P4 Rh2 -","2","1","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.0553","0.0511","","","0.1475","0.1509","","","","","","1.096","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127373","19.1238","0.0003","34.6204","0.0005","19.5735","0.0003","90","","90.624","0.002","90","","12958.3","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 B F24 P2 Rh -","- C62 H70 B F24 P2 Rh -","- C496 H560 B8 F192 P16 Rh8 -","8","2","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1054","0.0949","","","0.2456","0.2543","","","","","","1.059","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127374","12.7582","0.0016","12.9595","0.0015","19.8097","0.0008","92.028","0.006","90.685","0.007","96.23","0.001","3253.5","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 B F24 P2 Rh -","- C62 H68 B F24 P2 Rh -","- C124 H136 B2 F48 P4 Rh2 -","2","1","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1346","0.1095","","","0.2956","0.3237","","","","","","1.139","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127375","19.2893","0.0002","17.2828","0.0001","20.2622","0.0001","90","","91.149","0.001","90","","6753.51","0.09","249.99","0.1","249.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H68 B F24 P2 Rh -","- C64 H68 B F24 P2 Rh -","- C256 H272 B4 F96 P8 Rh4 -","4","0.5","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54178","CuKα","","0.0597","0.0548","","","0.1653","0.1709","","","","","","1.076","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127376","19.1736","0.0008","17.6512","0.0008","19.7601","0.0012","90","","91.086","0.005","90","","6686.3","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 B F24 P2 Rh -","- C64 H72 B F24 P2 Rh -","- C256 H288 B4 F96 P8 Rh4 -","4","0.5","","McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S.","Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes.","Journal of the American Chemical Society","2019","141","29","11700","11712","10.1021/jacs.9b05577","","x-ray","1.54184","CuKα","","0.1082","0.1031","","","0.212","0.2141","","","","","","1.082","","","","has coordinates,has disorder","220654","2020-10-21","18:00:00",""
"4127377","8.0473","0.0007","5.7982","0.0007","15.2584","0.0016","90","","104.905","0.008","90","","688","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 -","- C17 H15 F3 -","- C34 H30 F6 -","2","1","","Trost, Barry M.; Gholami, Hadi; Zell, Daniel","Palladium-Catalyzed Asymmetric Allylic Fluoroalkylation/Trifluoromethylation.","Journal of the American Chemical Society","2019","141","29","11446","11451","10.1021/jacs.9b06231","","","1.54178","CuKα","","0.0381","0.0348","","","0.0831","0.0846","","","","","","1.061","","","","has coordinates,has disorder","220655","2020-10-21","18:00:00",""
"4127378","6.699","0.001","9.902","0.0013","12.655","0.008","90","","105.339","0.01","90","","809.5","0.5","296.1","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C22 H26 N10 Ni2 O2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0633","","","","0.1311","","","","","","1.086","","","","has coordinates","220656","2020-10-21","18:00:00",""
"4127379","9.291","0.001","11.504","0.0015","10.88","0.001","90","","104.696","0.007","90","","1124.9","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pt S4 -","- C18 H16 N6 Pt S4 -","- C36 H32 N12 Pt2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0625","","","","0.1904","","","","","","1.149","","","","has coordinates","220657","2020-10-21","18:00:00",""
"4127380","7.7723","0.0007","20.4416","0.0018","14.1183","0.0012","90","","96.37","0.001","90","","2229.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 N6 Ni S4 -","- C40 H76 N6 Ni S4 -","- C80 H152 N12 Ni2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0335","0.0319","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates","220658","2020-10-21","18:00:00",""
"4127381","6.576","0.002","24.36","0.008","9.895","0.003","90","","90.107","0.004","90","","1585.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H13 N5 Ni O S4 -","- C11 H13 N5 Ni O S4 -","- C44 H52 N20 Ni4 O4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71075","MoKα","","0.0747","0.0466","","","0.0778","0.0847","","","","","","1","","","","has coordinates","220659","2020-10-21","18:00:00",""
"4127382","9.8084","0.0013","10.0948","0.0013","15.219","0.002","72.721","0.001","79.401","0.001","89.378","0.001","1412.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 N5 Ni S4 -","- C24 H41 N5 Ni S4 -","- C48 H82 N10 Ni2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71069","MoKα","","0.042","0.0402","","","0.0969","0.0975","","","","","","1.391","","","","has coordinates","220660","2020-10-21","18:00:00",""
"4127383","9.116","0.0007","11.69","0.0009","10.82","0.0005","90","","104.803","0.004","90","","1114.78","0.13","296.1","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N6 Pd S4 -","- C18 H16 N6 Pd S4 -","- C36 H32 N12 Pd2 S8 -","2","0.5","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.55981","Synchrotron(SPring-8BL02B1)","","","0.0472","","","","0.1398","","","","","","1.131","","","","has coordinates","220661","2020-10-21","18:00:00",""
"4127384","9.2903","0.0012","18.511","0.002","16.684","0.002","90","","95.773","0.002","90","","2854.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N5 Ni S4 -","- C24 H40 N5 Ni S4 -","- C96 H160 N20 Ni4 S16 -","4","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71073","MoKα","","","0.0411","","","","0.1","","","","","","1.012","","","","has coordinates","220662","2020-10-21","18:00:00",""
"4127385","9.9538","0.0013","10.2166","0.0013","15.106","0.002","72.181","0.001","80.224","0.001","89.566","0.001","1439.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 N5 Pt S4 -","- C24 H41 N5 Pt S4 -","- C48 H82 N10 Pt2 S8 -","2","1","","Hayashi, Mikihiro; Takahashi, Yuki; Yoshida, Yukihiro; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Role of <i>d</i>-Elements in a Proton-Electron Coupling of <i>d</i>-π Hybridized Electron Systems.","Journal of the American Chemical Society","2019","141","29","11686","11693","10.1021/jacs.9b04937","","","0.71069","MoKα","","0.038","0.037","","","0.0973","0.0976","","","","","","1.371","","","","has coordinates","220663","2020-10-21","18:00:00",""
"4127386","10.012","0.0018","18.468","0.003","21.823","0.004","90","","92.408","0.004","90","","4031.5","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H90 Cu2 F8 O P6 -","- C86 H90 Cu2 F8 O P6 -","- C172 H180 Cu4 F16 O2 P12 -","2","0.5","","Andrella, Nicholas O.; Xu, Nancy; Gabidullin, Bulat M.; Ehm, Christian; Baker, R. Tom","Selective Copper Complex-Catalyzed Hydrodefluorination of Fluoroalkenes and Allyl Fluorides: A Tale of Two Mechanisms.","Journal of the American Chemical Society","2019","141","29","11506","11521","10.1021/jacs.9b03101","","","0.71073","MoKα","","0.0638","0.0389","","","0.0974","0.1141","","","","","","1.06","","","","has coordinates,has disorder","220664","2020-10-21","18:00:00",""
"4127387","9.098","0.006","10.652","0.003","13.365","0.006","90","","103.019","0.019","90","","1261.9","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H41 N O4 S -","- C28 H41 N O4 S -","- C56 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0503","0.0474","","","0.1189","0.1216","","","","","","1.044","","","","has coordinates","220665","2020-10-21","18:00:00",""
"4127388","8.2356","0.001","14.7564","0.0017","14.756","","90","","90","","90","","1793.3","0.3","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N O2 -","- C21 H33 N O2 -","- C84 H132 N4 O8 -","4","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","","1.54178","CuKα","","0.0434","0.042","","","0.1167","0.118","","","","","","1.062","","","","has coordinates","220666","2020-10-21","18:00:00",""
"4127389","38.5549","0.0016","38.5549","0.0016","14.8445","0.0007","90","","90","","120","","19109.8","1.4","100","","100","","","","","","","","","5","P 62","P 62","171","","","","- C36 H41 N O7 S -","- C36 H41 N O7 S -","- C864 H984 N24 O168 S24 -","24","4","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0787","0.0542","","","0.0952","0.102","","","","","","1.121","","","","has coordinates,has disorder","220667","2020-10-21","18:00:00",""
"4127390","8.32811","0.00006","10.96364","0.00007","16.54433","0.00009","90","","90","","90","","1510.6","0.017","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wu, Hua; Wang, Qian; Zhu, Jieping","Catalytic Enantioselective Pinacol and Meinwald Rearrangements for the Construction of Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","29","11372","11377","10.1021/jacs.9b04551","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0663","0.0666","","","","","","1.06","","","","has coordinates","220668","2020-10-21","18:00:00",""
"4127391","19.4978","0.0009","15.492","0.0008","15.3385","0.0007","116.236","0.002","108.509","0.002","93.369","0.002","3831.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H81.9 Cd2 N8 O14 -","- C84 H81.894 Cd2 N8 O14 -","- C168 H163.788 Cd4 N16 O28 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0554","0.0393","","","0.0774","0.0865","","","","","","1.039","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127392","19.811","0.002","15.4443","0.0016","15.0786","0.0014","115.954","0.003","108.416","0.003","94.546","0.003","3805.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cd2 N6 O12 -","- C76 H66 Cd2 N6 O12 -","- C152 H132 Cd4 N12 O24 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0577","0.0419","","","0.0887","0.0972","","","","","","1.025","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127393","20.0731","0.0012","15.4449","0.0009","15.1647","0.0008","114.71","0.002","107.275","0.002","95.625","0.002","3942.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H66 Cd2 N6 O12 -","- C76 H66 Cd2 N6 O12 -","- C152 H132 Cd4 N12 O24 -","2","1","","Claassens, Isabella E.; Barbour, Leonard J.; Haynes, Delia A.","A Multistimulus Responsive Porous Coordination Polymer: Temperature-Mediated Control of Solid-State [2+2] Cycloaddition.","Journal of the American Chemical Society","2019","141","29","11425","11429","10.1021/jacs.9b05961","","","0.71073","MoKα","","0.0951","0.0565","","","0.1071","0.1253","","","","","","1.017","","","","has coordinates,has disorder","220669","2020-10-21","18:00:00",""
"4127394","5.1729","0.0002","10.545","0.0004","35.9696","0.0011","90","","90","","90","","1962.08","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Bendelsmith, Andrew J.; Kim, Seohyun Chris; Wasa, Masayuki; Roche, Stéphane P; Jacobsen, Eric N.","Enantioselective Synthesis of α-Allyl Amino Esters via Hydrogen-Bond-Donor Catalysis.","Journal of the American Chemical Society","2019","141","29","11414","11419","10.1021/jacs.9b05556","","","1.54178","CuKα","","0.0384","0.0369","","","0.0857","0.0862","","","","","","1.098","","","","has coordinates,has disorder","220670","2020-10-21","18:00:00",""
"4127395","9.4527","0.0003","25.1917","0.0008","27.5943","0.0009","90","","90","","90","","6571","0.4","172","2","172","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Co I N2 O3 P -","- C30 H33 Co I N2 O3 P -","- C240 H264 Co8 I8 N16 O24 P8 -","8","2","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0663","0.0555","","","0.1446","0.1531","","","","","","1.021","","","","has coordinates","220671","2020-10-21","18:00:00",""
"4127396","12.3076","0.0004","11.2515","0.0004","14.7336","0.0005","90","","99.185","0.001","90","","2014.13","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H44 B2 Co F8 N5 O2 P -","- C36 H44 B2 Co F8 N5 O2 P -","- C72 H88 B4 Co2 F16 N10 O4 P2 -","2","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0555","0.0539","","","0.1573","0.1589","","","","","","1.027","","","","has coordinates","220672","2020-10-21","18:00:00",""
"4127397","9.7764","0.0018","10.02","0.002","10.928","0.002","112.897","0.014","98.386","0.015","93.96","0.02","966.3","0.3","223","2","223","2","","","","","","","","8","P 1","P 1","1","","","","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","- C35 H41 B2 Co F8 N4 O3 P -","1","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.042","0.04","","","0.1054","0.11","","","","","","1.009","","","","has coordinates","220673","2020-10-21","18:00:00",""
"4127398","8.3713","0.0011","9.4586","0.0012","17.695","0.003","90","","90","","90","","1401.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0606","0.0517","","","0.1463","0.1586","","","","","","1.007","","","","has coordinates","220674","2020-10-21","18:00:00",""
"4127399","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Highly Electroconductive Metal-Organic Framework: Tunable by Metal Ion Sorption Quantity.","Journal of the American Chemical Society","2019","141","28","11173","11182","10.1021/jacs.9b04173","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","220675","2020-10-21","18:00:00",""
"4127400","15.9057","0.0006","15.2617","0.0005","19.1797","0.0007","90","","93.394","0.002","90","","4647.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SVK5_38_2","SVK5_56","","- C49 H69 Mo N O4 -","- C49 H69 Mo N O4 -","- C196 H276 Mo4 N4 O16 -","4","1","","von Kugelgen, Stephen; Piskun, Ilya; Griffin, James H.; Eckdahl, Christopher T.; Jarenwattananon, Nanette N.; Fischer, Felix R.","Templated Synthesis of End-Functionalized Graphene Nanoribbons through Living Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","28","11050","11058","10.1021/jacs.9b01805","","","0.71073","MoKα","","0.045","0.0382","","","0.0908","0.0966","","","","","","1.078","","","","has coordinates,has disorder","220677","2020-10-21","18:00:00",""
"4127401","5.5153","0.0002","15.9898","0.0007","20.1319","0.0005","87.836","0.003","86.477","0.003","89.047","0.004","1770.6","0.11","100","2","100","2","","","","","","","","2","P -1","-P 1","2","SVK4_120","SVK4_173","","- C28 H16 -","- C28 H16 -","- C112 H64 -","4","2","","von Kugelgen, Stephen; Piskun, Ilya; Griffin, James H.; Eckdahl, Christopher T.; Jarenwattananon, Nanette N.; Fischer, Felix R.","Templated Synthesis of End-Functionalized Graphene Nanoribbons through Living Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","28","11050","11058","10.1021/jacs.9b01805","","x-ray","1.54184","CuKα","","0.0645","0.0496","","","0.1378","0.1496","","","","","","1.076","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4127402","13.492","0.005","6.731","0.002","16.668","0.006","90","","113.874","0.003","90","","1384.2","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Gandelman332b (Andreii)","","","- C23 H27 F3 O10 S -","- C23 H27 F3 O10 S -","- C46 H54 F6 O20 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF<sub>3</sub> Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0753","0.041","","","0.0756","0.0848","","","","","","0.848","","","","has coordinates","220679","2020-10-21","18:00:00",""
"4127403","10.2316","0.0009","6.1453","0.0005","16.0261","0.0014","90","","92.615","0.002","90","","1006.61","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Gandelman335b (Andreii)","","","- C24 H21 F3 S -","- C24 H21 F3 S -","- C48 H42 F6 S2 -","2","1","","Varenikov, Andrii; Gandelman, Mark","Organotitanium Nucleophiles in Asymmetric Cross-Coupling Reaction: Stereoconvergent Synthesis of Chiral α-CF<sub>3</sub> Thioethers.","Journal of the American Chemical Society","2019","141","28","10994","10999","10.1021/jacs.9b05671","","","0.71073","MoKα","","0.0375","0.0341","","","0.0793","0.0806","","","","","","1.003","","","","has coordinates","220680","2020-10-21","18:00:00",""
"4127404","15.419","0.001","15.516","0.001","20.404","0.002","90","","110.38","0.01","90","","4575.9","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H18 Gd3 N3 -","- C88 H18 Gd3 N3 -","- C352 H72 Gd12 N12 -","4","0.5","","Semivrazhskaya, Olesya; Romero-Rivera, Adrian; Aroua, Safwan; Troyanov, Sergey I.; Garcia-Borràs, Marc; Stevenson, Steven; Osuna, Sílvia; Yamakoshi, Yoko","Structures of Gd<sub>3</sub>N@C<sub>80</sub> Prato Bis-Adducts: Crystal Structure, Thermal Isomerization, and Computational Study.","Journal of the American Chemical Society","2019","141","28","10988","10993","10.1021/jacs.9b05603","","","0.895","synchrotron","","0.1958","0.1632","","","0.3732","0.3901","","","","","","1.062","","","","has coordinates","220681","2020-10-21","18:00:00",""
"4127405","14.6746","0.001","12.851","0.0006","39.91","0.002","90","","93.387","0.006","90","","7513.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H110 Al Cl2 K N4 O7 -","- C77 H110 Al Cl2 K N4 O7 -","- C308 H440 Al4 Cl8 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.1585","0.0803","","","0.171","0.227","","","","","","0.995","","","","has coordinates,has disorder","220682","2020-10-21","18:00:00",""
"4127406","16.515","0.0001","19.7342","0.0001","25.2426","0.0001","90","","97.22","","90","","8161.59","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H119 Al K N4 O7 -","- C86 H119 Al K N4 O7 -","- C344 H476 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0448","0.0418","","","0.1124","0.1155","","","","","","1.036","","","","has coordinates","220683","2020-10-21","18:00:00",""
"4127407","12.0844","0.0003","15.1299","0.0005","18.6922","0.0005","68.703","0.003","89.157","0.002","89.394","0.002","3183.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H180 Al2 K2 N4 O2 -","- C146 H180 Al2 K2 N4 O2 -","- C146 H180 Al2 K2 N4 O2 -","1","0.5","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0534","0.0479","","","0.1312","0.1371","","","","","","1.025","","","","has coordinates,has disorder","220684","2020-10-21","18:00:00",""
"4127408","12.7012","0.0005","15.1963","0.0007","46.196","0.002","90","","90.502","0.004","90","","8916","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H127 Al K N4 O7 -","- C96 H127 Al K N4 O7 -","- C384 H508 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.1262","0.0852","","","0.1986","0.2295","","","","","","1.036","","","","has coordinates,has disorder","220685","2020-10-21","18:00:00",""
"4127409","18.8947","0.0002","13.245","0.0001","29.8151","0.0003","90","","94.621","0.001","90","","7437.28","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H110 Al K N4 O7 -","- C77 H110 Al K N4 O7 -","- C308 H440 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0534","0.0409","","","0.1032","0.1139","","","","","","1.022","","","","has coordinates,has disorder","220686","2020-10-21","18:00:00",""
"4127410","6.626","0.0004","19.1358","0.001","24.4346","0.001","90","","90","","90","","3098.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Cl2 Sn2 -","- C10 H18 Cl2 Sn2 -","- C80 H144 Cl16 Sn16 -","8","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0933","0.0504","","","0.1187","0.1665","","","","","","1.005","","","","has coordinates","220687","2020-10-21","18:00:00",""
"4127411","20.5108","0.0002","12.9151","0.0001","29.5577","0.0003","90","","93.09","0.001","90","","7818.42","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H116 Al K N4 O7 -","- C83 H116 Al K N4 O7 -","- C332 H464 Al4 K4 N16 O28 -","4","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.062","0.0448","","","0.1125","0.1231","","","","","","1.028","","","","has coordinates,has disorder","220688","2020-10-21","18:00:00",""
"4127412","10.3691","0.0005","17.1035","0.0008","11.0229","0.0005","90","","97.966","0.002","90","","1936.02","0.16","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39.87 H53.87 Cl2.62 N O4 -","- C39.874 H53.874 Cl2.622 N O4 -","- C79.748 H107.748 Cl5.244 N2 O8 -","2","1","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0437","0.042","","","0.1177","0.1193","","","","","","1.04","","","","has coordinates,has disorder","220689","2020-10-21","18:00:00",""
"4127413","33.1205","0.001","11.3921","0.0003","25.2617","0.0013","90","","129.951","0.002","90","","7306.8","0.5","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C41 H57 N O4 -","- C41 H57 N O4 -","- C328 H456 N8 O32 -","8","2","","Wen, Saishuai; Boyce, Jonathan H.; Kandappa, Sunil K.; Sivaguru, Jayaraman; Porco, Jr, John A","Regiodivergent Photocyclization of Dearomatized Acylphloroglucinols: Asymmetric Syntheses of (-)-Nemorosone and (-)-6-<i>epi</i>-Garcimultiflorone A.","Journal of the American Chemical Society","2019","141","28","11315","11321","10.1021/jacs.9b05600","","","1.54178","CuKα","","0.0492","0.0411","","","0.1042","0.1095","","","","","","1.058","","","","has coordinates,has disorder","220690","2020-10-21","18:00:00",""
"4127414","10.04169","0.00013","31.9979","0.0003","17.15695","0.00014","90","","98.8434","0.001","90","","5447.22","0.1","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60.82 H58.82 B Cl1.13 Co N7.82 O -","- C60.818 H58.818 B Cl1.13 Co N7.818 O -","- C243.272 H235.272 B4 Cl4.52 Co4 N31.272 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0576","0.0537","","","0.1304","0.1324","","","","","","1.163","","","","has coordinates,has disorder","220691","2020-10-21","18:00:00",""
"4127415","14.9078","0.00014","9.95186","0.00011","37.7389","0.0004","90","","92.4141","0.0009","90","","5593.99","0.1","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61.18 H55.18 B Cl2.2 Co N7.54 O -","- C61.1769 H55.1818 B Cl2.2022 Co N7.538 O -","- C244.708 H220.727 B4 Cl8.8088 Co4 N30.152 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0616","0.0583","","","0.1577","0.1609","","","","","","1.055","","","","has coordinates,has disorder","220691","2020-10-21","18:00:00",""
"4127416","7.63615","0.00004","18.95826","0.00009","26.67111","0.00012","90","","96.6314","0.0004","90","","3835.29","0.03","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B Co N10 O -","- C35 H53 B Co N10 O -","- C140 H212 B4 Co4 N40 O4 -","4","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0335","0.0334","","","0.0863","0.0865","","","","","","1.036","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127417","9.6841","0.0003","9.7745","0.0003","20.6176","0.0006","87.688","0.002","87.32","0.002","66.582","0.003","1788.39","0.1","100.05","0.1","100.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 B Co N9 O3 -","- C33 H49 B Co N9 O3 -","- C66 H98 B2 Co2 N18 O6 -","2","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0359","0.0344","","","0.0889","0.0904","","","","","","1.015","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127418","7.7385","0.0002","10.0689","0.0003","22.2625","0.0006","84.589","0.002","87.358","0.002","68.153","0.003","1602.78","0.08","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 B Co N7 O2 -","- C31 H45 B Co N7 O2 -","- C62 H90 B2 Co2 N14 O4 -","2","1","","Kumar, Praveen; Lindeman, Sergey V.; Fiedler, Adam T.","Cobalt Superoxo and Alkylperoxo Complexes Derived from Reaction of Ring-Cleaving Dioxygenase Models with O<sub>2</sub>.","Journal of the American Chemical Society","2019","141","28","10984","10987","10.1021/jacs.9b05320","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0694","0.0704","","","","","","1.055","","","","has coordinates","220691","2020-10-21","18:00:00",""
"4127419","22.966","0.0004","22.9639","0.0003","19.8929","0.0003","90","","98.229","0.001","90","","10383.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Ga22 Sr15 -","- As32 Ga22 Sr14.9987 -","- As192 Ga132 Sr89.992 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0793","0.0365","","","0.0642","0.0765","","","","","","1.011","","","","has coordinates","220692","2020-10-21","18:00:00",""
"4127420","22.8204","0.0007","22.8257","0.0007","19.7972","0.0006","90","","98.237","0.001","90","","10205.8","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Eu15 Ga22 -","- As32 Eu15 Ga22 -","- As192 Eu90 Ga132 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0926","0.0724","","","0.1573","0.1674","","","","","","1.085","","","","has coordinates","220693","2020-10-21","18:00:00",""
"4127421","23.703","0.002","23.702","0.002","22.337","0.002","90","","113.473","0.002","90","","11510.7","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 Eu15 In22 -","- As32 Eu15 In22 -","- As192 Eu90 In132 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0749","0.0553","","","0.1499","0.164","","","","","","1.059","","","","has coordinates","220694","2020-10-21","18:00:00",""
"4127422","22.8363","0.0013","22.8335","0.0013","26.8169","0.0015","90","","108.613","0.002","90","","13251.8","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 Ga6 Sr3 -","- As8 Ga6 Sr3 -","- As256 Ga192 Sr96 -","32","4","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.1884","0.1159","","","0.3198","0.3773","","","","","","1.067","","","","has coordinates","220695","2020-10-21","18:00:00",""
"4127423","22.74","0.003","22.747","0.003","25.505","0.003","90","","96.393","0.002","90","","13111","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 Eu3 Ga6 -","- As8 Eu3 Ga6 -","- As256 Eu96 Ga192 -","32","4","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.1663","0.1306","","","0.289","0.312","","","","","","1.177","","","","has coordinates","220696","2020-10-21","18:00:00",""
"4127424","23.838","0.005","23.818","0.004","20.763","0.004","90","","98.244","0.006","90","","11667","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As32 In22 Sr15 -","- As32 In22 Sr15.0027 -","- As192 In132 Sr90.016 -","6","0.75","","Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk","Supertetrahedral Layers Based on GaAs or InAs.","Journal of the American Chemical Society","2019","141","28","11245","11252","10.1021/jacs.9b04712","","","0.71073","MoKα","","0.0535","0.0403","","","0.0853","0.0912","","","","","","1.044","","","","has coordinates","220697","2020-10-21","18:00:00",""
"4127425","9.648","0.003","13.538","0.004","17.653","0.005","73.166","0.004","82.859","0.004","79.983","0.004","2166.6","1.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H63 F5 Mn N11 O4 -","- C35 H63 F5 Mn N11 O4 -","- C70 H126 F10 Mn2 N22 O8 -","2","1","","Barman, Suman K.; Jones, Jason R.; Sun, Chen; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.","Journal of the American Chemical Society","2019","141","28","11142","11150","10.1021/jacs.9b03688","","","0.71073","MoKα","","0.1759","0.0931","","","0.2241","0.2745","","","","","","1.039","","","","has coordinates","220698","2020-10-21","18:00:00",""
"4127426","14.9408","0.001","14.9961","0.001","20.1209","0.0013","99.7945","0.0009","105.665","0.0008","94.1267","0.0009","4244.3","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H103 K4 Mn2 N17 O15 -","- C57 H101 K4 Mn2 N17 O15 -","- C114 H202 K8 Mn4 N34 O30 -","2","1","","Barman, Suman K.; Jones, Jason R.; Sun, Chen; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.","Journal of the American Chemical Society","2019","141","28","11142","11150","10.1021/jacs.9b03688","","","0.71073","MoKα","","0.1239","0.0873","","","0.2389","0.2666","","","","","","1.035","","","","has coordinates","220699","2020-10-21","18:00:00",""
"4127427","19.2243","0.0006","8.7543","0.0003","9.7102","0.0003","90","","90","","90","","1634.18","0.09","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H12 Br Cl2 N O -","- C18 H12 Br Cl2 N O -","- C72 H48 Br4 Cl8 N4 O4 -","4","1","","Cai, Lingchao; Zhang, Kui; Chen, Shuming; Lepage, Romain J.; Houk, K. N.; Krenske, Elizabeth H.; Kwon, Ohyun","Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines.","Journal of the American Chemical Society","2019","141","24","9537","9542","10.1021/jacs.9b04803","","","1.54178","CuKα","","0.0175","0.0173","","","0.04","0.0401","","","","","","1.067","","","","has coordinates","220700","2020-10-21","18:00:00",""
"4127428","10.4878","0.0002","26.6111","0.0006","27.2827","0.0006","69.0039","0.0007","87.263","0.0008","89.4717","0.0008","7100.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H52 B Cu F4 N6 O0.5 -","- C33 H52 B Cu F4 N6 O0.5 -","- C264 H416 B8 Cu8 F32 N48 O4 -","8","4","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","0.71073","MoKα","","0.1098","0.0726","","","0.1747","0.1957","","","","","","1.058","","","","has coordinates","220701","2020-10-21","18:00:00",""
"4127429","13.5651","0.0001","10.4389","0.0001","37.6598","0.0003","90","","95.8111","0.0004","90","","5305.4","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 B Cu N6 O -","- C59 H78 B Cu N6 O -","- C236 H312 B4 Cu4 N24 O4 -","4","1","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","1.54178","CuKα","","0.1112","0.0929","","","0.1934","0.2028","","","","","","1.101","","","","has coordinates","220702","2020-10-21","18:00:00",""
"4127430","11.2381","0.0002","13.6876","0.0002","16.2529","0.0003","78.7901","0.0007","81.5124","0.0007","87.161","0.0007","2424.95","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 B Cu N6 -","- C55 H68 B Cu N6 -","- C110 H136 B2 Cu2 N12 -","2","1","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","0.71073","MoKα","","0.0386","0.0323","","","0.0759","0.0792","","","","","","1.05","","","","has coordinates","220703","2020-10-21","18:00:00",""
"4127431","10.7234","0.0001","45.5153","0.0004","14.3298","0.0001","90","","108.898","0.0004","90","","6617.06","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 B Cu F4 N6 -","- C31 H48 B Cu F4 N6 -","- C248 H384 B8 Cu8 F32 N48 -","8","2","","Filonenko, Georgy A.; Sun, Dapeng; Weber, Manuela; Müller, Christian; Pidko, Evgeny A.","Multicolor Organometallic Mechanophores for Polymer Imaging Driven by Exciplex Level Interactions.","Journal of the American Chemical Society","2019","141","24","9687","9692","10.1021/jacs.9b04121","","","1.54178","CuKα","","0.0699","0.0483","","","0.1069","0.1165","","","","","","1.026","","","","has coordinates","220704","2020-10-21","18:00:00",""
"4127432","8.2708","0.0012","8.2708","0.0012","24.919","0.004","90","","90","","120","","1476.2","0.4","296","2","296.15","","","","","","","","","5","P 63/m","-P 6c","176","","","","- B20 Eu9 Mg O41 S2 -","- B20 Eu9 Mg O41 S2 -","- B40 Eu18 Mg2 O82 S4 -","2","0.166667","","Chi, Yang; Xu, Jing; Xue, Huai-Guo; Zhang, Yueping; Chen, Xiaolong; Whangbo, Myung-Hwan; Guo, Sheng-Ping; Deng, Shuiquan","Triple-Kagomé-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu<sub>9</sub>MgS<sub>2</sub>B<sub>20</sub>O<sub>41</sub>.","Journal of the American Chemical Society","2019","141","24","9533","9536","10.1021/jacs.9b04627","","","0.71073","MoKα","","0.0248","0.0244","","","0.05","0.0502","","","","","","1.014","","","","has coordinates","220705","2020-10-21","18:00:00",""
"4127433","15.009","0.002","19.593","0.003","22.379","0.003","96.761","0.004","101.558","0.004","98.432","0.004","6304","1.5","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C82.24 H134.13 Ag15 Cl F17 N10.64 O19.64 S8 -","- C82.2454 H132.128 Ag15 Cl F17.0001 N10.6373 O19.6373 S8 -","- C164.491 H264.256 Ag30 Cl2 F34.0002 N21.2746 O39.2746 S16 -","2","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0737","0.0688","","","0.1704","0.1729","","","","","","1.091","","","","has coordinates,has disorder","220706","2020-10-21","18:00:00",""
"4127434","14.871","0.001","15.265","0.001","31.209","0.003","76.925","0.002","88.638","0.002","61.957","0.002","6062.6","0.8","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C71 H109 Ag14 Cl F15 N7 O13 S8 -","- C71 H109 Ag14 Cl F15.003 N7 O13 S8 -","- C142 H218 Ag28 Cl2 F30.006 N14 O26 S16 -","2","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0704","0.0615","","","0.1454","0.1499","","","","","","1.034","","","","has coordinates,has disorder","220707","2020-10-21","18:00:00",""
"4127435","19.697","0.001","22.605","0.001","49.495","0.002","90","","99.406","0.001","90","","21741.4","1.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H112.5 Ag16 Cl F21 N5.5 O20.5 S8 -","- C62.5 H112.5 Ag16 Cl F21 N5.5 O20.5 S8 -","- C500 H900 Ag128 Cl8 F168 N44 O164 S64 -","8","1","","Alhilaly, Mohammad J.; Huang, Ren-Wu; Naphade, Rounak; Alamer, Badriah; Hedhili, Mohamed Nejib; Emwas, Abdul-Hamid; Maity, Partha; Yin, Jun; Shkurenko, Aleksander; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.","Assembly of Atomically Precise Silver Nanoclusters into Nanocluster-Based Frameworks.","Journal of the American Chemical Society","2019","141","24","9585","9592","10.1021/jacs.9b02486","","","0.71073","MoKα","","0.0722","0.0689","","","0.1678","0.1701","","","","","","1.167","","","","has coordinates,has disorder","220708","2020-10-21","18:00:00",""
"4127436","5.9675","0.0003","11.0636","0.0005","16.9266","0.0008","80.064","0.002","89.981","0.002","75.078","0.002","1062.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.15 H27.88 Cl1.42 N O5 S -","- C20.152 H27.88 Cl1.424 N O5 S -","- C40.304 H55.76 Cl2.848 N2 O10 S2 -","2","1","","Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina","Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.","Journal of the American Chemical Society","2019","141","24","9468","9473","10.1021/jacs.9b02690","","","0.71073","MoKα","","0.0715","0.0644","","","0.1853","0.1951","","","","","","1.057","","","","has coordinates,has disorder","220709","2020-10-21","18:00:00",""
"4127437","5.9677","0.0003","11.8753","0.0006","15.0703","0.0007","106.578","0.002","100.198","0.002","104.47","0.002","954.99","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina","Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.","Journal of the American Chemical Society","2019","141","24","9468","9473","10.1021/jacs.9b02690","","","0.71073","MoKα","","0.0469","0.0388","","","0.0963","0.1008","","","","","","1.068","","","","has coordinates","220710","2020-10-21","18:00:00",""
"4127438","9.4161","0.0002","14.164","0.0002","15.0633","0.0003","90","","90","","90","","2008.99","0.07","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Qiang; Cai, Zhong-Jian; Liu, Chen-Xu; Gu, Qing; You, Shu-Li","Rhodium-Catalyzed Atroposelective C-H Arylation: Efficient Synthesis of Axially Chiral Heterobiaryls.","Journal of the American Chemical Society","2019","141","24","9504","9510","10.1021/jacs.9b03862","","","1.34139","GaKα","","0.0347","0.0335","","","0.085","0.0861","","","","","","1.075","","","","has coordinates","220711","2020-10-21","18:00:00",""
"4127439","9.8196","0.0016","16.119","0.003","18.203","0.003","105.095","0.006","92.986","0.006","98.258","0.005","2740.8","0.8","150.02","","150.02","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H80 N6 O -","- C63 H80 N6 O -","- C126 H160 N12 O2 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0714","0.0514","","","0.1356","0.1486","","","","","","1.035","","","","has coordinates,has disorder","220712","2020-10-21","18:00:00",""
"4127440","20.8294","0.0012","9.35","0.0005","19.8493","0.0017","90","","117.348","0.002","90","","3433.7","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N -","- C20 H28 N -","- C160 H224 N8 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.046","0.0417","","","0.109","0.1124","","","","","","1.054","","","","has coordinates","220713","2020-10-21","18:00:00",""
"4127441","8.8369","0.0006","34.229","0.002","16.6943","0.0011","90","","101.045","0.002","90","","4956.1","0.6","99.98","","99.98","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H35 N3 -","- C29 H35 N3 -","- C232 H280 N24 -","8","2","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.032","0.0311","","","0.1029","0.1094","","","","","","1.071","","","","has coordinates","220714","2020-10-21","18:00:00",""
"4127442","27.636","0.008","9.669","0.003","15.648","0.006","90","","91.294","0.013","90","","4180","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N3 O -","- C47 H65 N3 O -","- C188 H260 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0715","0.0682","","","0.1856","0.1886","","","","","","1.047","","","","has coordinates,has disorder","220715","2020-10-21","18:00:00",""
"4127443","22.9103","0.0012","16.2048","0.0008","8.2525","0.0005","90","","92.611","0.002","90","","3060.6","0.3","99.97","","99.97","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 -","- C36 H41 N3 -","- C144 H164 N12 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.044","0.0407","","","0.1093","0.112","","","","","","1.031","","","","has coordinates,has disorder","220716","2020-10-21","18:00:00",""
"4127444","18.13","0.009","18.914","0.007","13.58","0.005","90","","106.596","0.016","90","","4463","3","99.97","","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 F6 N3 O0.5 Sb -","- C50 H55 F6 N3 O0.5 Sb -","- C200 H220 F24 N12 O2 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0436","0.0304","","","0.0652","0.0705","","","","","","1.024","","","","has coordinates,has disorder","220717","2020-10-21","18:00:00",""
"4127445","9.1359","0.0015","15.748","0.003","16.691","0.003","103.818","0.005","96.832","0.005","96.26","0.005","2291.7","0.7","100.02","","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H63 N3 O3 -","- C55 H63 N3 O3 -","- C110 H126 N6 O6 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0493","0.0465","","","0.1296","0.1325","","","","","","1.045","","","","has coordinates","220718","2020-10-21","18:00:00",""
"4127446","9.8395","0.0006","18.5942","0.001","15.5356","0.0007","90","","108.171","0.002","90","","2700.6","0.3","99.97","","99.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 F6 N3 Sb -","- C27 H31 F6 N3 Sb -","- C108 H124 F24 N12 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0301","0.0281","","","0.0639","0.0651","","","","","","1.072","","","","has coordinates,has disorder","220719","2020-10-21","18:00:00",""
"4127447","19.391","0.01","10.649","0.004","21.807","0.008","90","","107.848","0.015","90","","4286","3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H59 N3 O -","- C52 H59 N3 O -","- C208 H236 N12 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0801","0.0555","","","0.1417","0.1572","","","","","","1.029","","","","has coordinates,has disorder","220720","2020-10-21","18:00:00",""
"4127448","11.7476","0.0008","16.1366","0.0013","20.0336","0.0017","86.506","0.003","74.026","0.003","81.296","0.003","3608.3","0.5","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H90 F12 N6 O3.5 Sb2 -","- C69 H90 F12 N6 O3.5 Sb2 -","- C138 H180 F24 N12 O7 Sb4 -","2","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0645","0.0579","","","0.1529","0.1582","","","","","","1.07","","","","has coordinates,has disorder","220721","2020-10-21","18:00:00",""
"4127449","14.307","0.001","16.3038","0.0009","17.6125","0.0012","90","","97.746","0.002","90","","4070.8","0.5","99.99","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 F9 N3 Sb -","- C45 H40 F9 N3 Sb -","- C180 H160 F36 N12 Sb4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0248","0.023","","","0.0604","0.062","","","","","","1.056","","","","has coordinates,has disorder","220722","2020-10-21","18:00:00",""
"4127450","18.9227","0.0005","15.8869","0.0005","23.304","0.0006","90","","90","","90","","7005.7","0.3","99.99","","99.99","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C41 H51 N3 -","- C41 H51 N3 -","- C328 H408 N24 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.0379","0.035","","","0.088","0.0903","","","","","","1.026","","","","has coordinates,has disorder","220723","2020-10-21","18:00:00",""
"4127451","12.2157","0.0013","23.396","0.003","28.355","0.003","90","","90.759","0.004","90","","8103.1","1.6","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H60 N2 -","- C49 H60 N2 -","- C392 H480 N16 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0665","0.0512","","","0.1335","0.144","","","","","","1.03","","","","has coordinates","220724","2020-10-21","18:00:00",""
"4127452","17.1588","0.0007","13.8404","0.0006","22.8193","0.0012","90","","108.372","0.001","90","","5143","0.4","100.03","","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H67 F12 N3 O4 Sb2 -","- C45 H67 F12 N3 O4 Sb2 -","- C180 H268 F48 N12 O16 Sb8 -","4","0.5","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0236","0.0226","","","0.0601","0.0609","","","","","","1.071","","","","has coordinates,has disorder","220725","2020-10-21","18:00:00",""
"4127453","15.9721","0.0018","18.65","0.002","17.0396","0.0017","90","","100.96","0.003","90","","4983.2","0.9","100.04","","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 N6 O -","- C58 H70 N6 O -","- C232 H280 N24 O4 -","4","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","0.71073","MoKα","","0.0595","0.0469","","","0.1354","0.1472","","","","","","1.026","","","","has coordinates,has disorder","220726","2020-10-21","18:00:00",""
"4127454","10.0127","0.0002","13.6575","0.0002","30.8925","0.0005","90","","90","","90","","4224.5","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 I N3 O2 Rh -","- C42 H33 I N3 O2 Rh -","- C168 H132 I4 N12 O8 Rh4 -","4","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.0827","0.0484","","","0.1536","0.1837","","","","","","0.646","","","","has coordinates","220727","2020-10-21","18:00:00",""
"4127455","9.417","0.0003","10.9955","0.0004","15.6189","0.0006","90","","102.744","0.001","90","","1577.41","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H30 N4 O2 S -","- C40 H30 N4 O2 S -","- C80 H60 N8 O4 S2 -","2","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.045","0.0358","","","0.0857","0.0925","","","","","","1.021","","","","has coordinates","220728","2020-10-21","18:00:00",""
"4127456","9.8876","0.0005","13.0506","0.0007","18.7229","0.001","69.6938","0.0016","89.6815","0.0015","80.3472","0.0015","2230.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Heptabenzo[a,d,g,j,m,p,s][7]circulene","","- C58.5 H30.5 Cl7.5 -","- C58.5 H29 Cl7.5 -","- C117 H58 Cl15 -","2","1","","Pun, Sai Ho; Wang, Yujing; Chu, Ming; Chan, Chi Kit; Li, Yuke; Liu, Zhifeng; Miao, Qian","Synthesis, Structures, and Properties of Heptabenzo[7]circulene and Octabenzo[8]circulene.","Journal of the American Chemical Society","2019","141","24","9680","9686","10.1021/jacs.9b03910","","","0.71073","MoKα","","0.1234","0.0939","","","0.2571","0.2873","","","","","","1.032","","","","has coordinates,has disorder","220729","2020-10-21","18:00:00",""
"4127457","20.4908","0.0014","20.5122","0.0014","29.522","0.002","90","","96.355","0.004","90","","12332.2","1.5","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,11,18,27-Tetra(tert-butyl)octabenzo[a, d, g, j, m, p, s, v][8]circulene","","- C82 H64 S4 -","- C82 H64 S4 -","- C656 H512 S32 -","8","1","","Pun, Sai Ho; Wang, Yujing; Chu, Ming; Chan, Chi Kit; Li, Yuke; Liu, Zhifeng; Miao, Qian","Synthesis, Structures, and Properties of Heptabenzo[7]circulene and Octabenzo[8]circulene.","Journal of the American Chemical Society","2019","141","24","9680","9686","10.1021/jacs.9b03910","","","0.71073","MoKα","","0.1776","0.1505","","","0.3529","0.3719","","","","","","1.144","","","","has coordinates","220730","2020-10-21","18:00:00",""
"4127458","10.496","0.0005","13.6381","0.0008","15.8459","0.0006","90","","90","","90","","2268.27","0.19","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.074","0.0467","","","0.0835","0.0927","","","","","","0.99","","","","has coordinates","220731","2020-10-21","18:00:00",""
"4127459","8.0004","0.0004","19.6229","0.0008","16.3447","0.0007","90","","90.793","0.004","90","","2565.7","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.1113","0.0739","","","0.1542","0.1735","","","","","","1.045","","","","has coordinates","220732","2020-10-21","18:00:00",""
"4127460","13.3161","0.0012","13.3539","0.0005","15.3167","0.001","90","","110.123","0.009","90","","2557.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.0903","0.0571","","","0.1382","0.1617","","","","","","1.032","","","","has coordinates","220733","2020-10-21","18:00:00",""
"4127461","13.3401","0.0007","13.3739","0.0006","15.3218","0.0008","90","","110.106","0.006","90","","2567","0.2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.0865","0.0542","","","0.1186","0.1371","","","","","","1.031","","","","has coordinates","220734","2020-10-21","18:00:00",""
"4127462","7.1517","0.0004","9.9719","0.0007","21.5377","0.0013","90","","98.474","0.006","90","","1519.21","0.17","292.27","0.1","292.27","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 -","- C17 H24 N2 -","- C68 H96 N8 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min","Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.","Journal of the American Chemical Society","2019","141","24","9731","9738","10.1021/jacs.9b05009","","","0.71073","MoKα","","0.1142","0.0657","","","0.1517","0.1812","","","","","","1.076","","","","has coordinates","220735","2020-10-21","18:00:00",""
"4127463","9.9395","0.0007","11.314","0.0006","13.5788","0.0008","85.587","0.005","88.88","0.005","73.47","0.006","1459.56","0.16","292","0.1","292","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","2","","Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min","Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.","Journal of the American Chemical Society","2019","141","24","9731","9738","10.1021/jacs.9b05009","","","0.71073","MoKα","","0.1013","0.0595","","","0.1279","0.1574","","","","","","1.056","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4127464","10.2386","0.0001","23.8719","0.0002","11.734","0.0001","90","","90","","90","","2867.96","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C30 H36 Co F6 N2 O2 -","- C30 H36 Co F6 N2 O2 -","- C120 H144 Co4 F24 N8 O8 -","4","0.5","","Ye, Ke-Yin; McCallum, Terry; Lin, Song","Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols.","Journal of the American Chemical Society","2019","141","24","9548","9554","10.1021/jacs.9b04993","","x-ray","0.71073","MoKα","","0.0198","0.0194","","","0.0511","0.0512","","","","","","1.047","","","","has coordinates","220737","2020-10-21","18:00:00",""
"4127465","11.9919","0.0011","13.763","0.0009","25.905","0.002","89.286","0.004","87.757","0.004","79.589","0.004","4201.8","0.6","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C83.75 H76 F6 Fe4 N15 O5.5 P -","- C83.75 H76 F6 Fe4 N15 O5.5 P -","- C167.5 H152 F12 Fe8 N30 O11 P2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.082","0.0685","","","0.1738","0.1844","","","","","","1.029","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127466","19.122","0.009","18.204","0.005","24.698","0.006","90","","90","","90","","8597","5","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C91 H99 F3 Fe4 N15 O11 S -","- C91 H99 F3 Fe4 N15 O11 S -","- C364 H396 F12 Fe16 N60 O44 S4 -","4","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0942","0.073","","","0.1346","0.144","","","","","","1.061","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127467","14.1115","0.0011","15.0509","0.0011","21.1556","0.0016","70.794","0.003","86.911","0.003","70.57","0.003","3993.7","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 Fe4 N15 O5 -","- C90 H88 Fe4 N15 O5 -","- C180 H176 Fe8 N30 O10 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","0.71073","MoKα","","0.0606","0.0412","","","0.098","0.1079","","","","","","1.019","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127468","12.3162","0.0013","15.5743","0.0015","21.6599","0.0015","102.37","0.006","94.445","0.004","102.897","0.009","3921.5","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H87 Fe4 N15 O5 -","- C90 H87 Fe4 N15 O5 -","- C180 H174 Fe8 N30 O10 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0509","0.04","","","0.0954","0.1018","","","","","","1.012","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127469","12.15","0.002","14.975","0.005","23.386","0.006","95.271","0.014","90.124","0.012","104.174","0.019","4106.7","1.9","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H76 F6 Fe4 N15 O11 S2 -","- C80 H76 F6 Fe4 N15 O11 S2 -","- C160 H152 F12 Fe8 N30 O22 S4 -","2","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0422","0.0375","","","0.0941","0.0963","","","","","","1.057","","","","has coordinates,has disorder","220738","2020-10-21","18:00:00",""
"4127470","9.33848","0.00014","7.41455","0.00012","9.7064","0.00015","90","","91.6489","0.0014","90","","671.799","0.018","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(S)-11a-hydroxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H- dibenzo[a,d][7]annulen-5-one","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0246","0.0244","","","0.0643","0.0644","","","","","","1.022","","","","has coordinates","220739","2020-10-21","18:00:00",""
"4127471","5.36038","0.0001","7.31242","0.0001","12.53807","0.00018","90","","90.2082","0.0015","90","","491.456","0.013","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(R,Z)-7-methylcyclodec-2-ene-1,6-dione","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0312","0.0307","","","0.0796","0.0801","","","","","","1.056","","","","has coordinates","220740","2020-10-21","18:00:00",""
"4127472","7.12324","0.00007","8.00568","0.00007","17.09534","0.00015","90","","90","","90","","974.885","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(8S,8aS)-8a-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydroazulen-4(1H)-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0285","0.0279","","","0.0732","0.0737","","","","","","1.026","","","","has coordinates","220741","2020-10-21","18:00:00",""
"4127473","14.26268","0.00013","17.70163","0.00018","21.97679","0.00018","90","","91.5652","0.0008","90","","5546.47","0.09","140.01","0.1","140.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H162 K2 O26 Si6 U2 -","- C73 H162 K2 O26 Si6 U2 -","- C146 H324 K4 O52 Si12 U4 -","2","0.5","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0556","0.0532","","","0.143","0.146","","","","","","1.038","","","","has coordinates,has disorder","220742","2020-10-21","18:00:00",""
"4127474","13.5015","0.0003","18.6524","0.0005","45.9564","0.0012","90","","90","","90","","11573.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H163 K2 O31 Si6 U2 -","- C75 H163 K2 O31 Si6 U2 -","- C300 H652 K8 O124 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0873","0.0582","","","0.1267","0.1432","","","","","","0.964","","","","has coordinates,has disorder","220743","2020-10-21","18:00:00",""
"4127475","23.8521","0.0007","13.9941","0.0004","33.379","0.0008","90","","94.406","0.002","90","","11108.6","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H170 K2 N2 O25 Si6 U2 -","- C76 H170 K2 N2 O25 Si6 U2 -","- C304 H680 K8 N8 O100 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.1268","0.0976","","","0.2384","0.2647","","","","","","1.08","","","","has coordinates,has disorder","220744","2020-10-21","18:00:00",""
"4127476","14.203","0.0003","17.5377","0.0004","25.3851","0.0004","78.8955","0.0018","88.5451","0.0015","68.93","0.002","5783.3","0.2","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C79 H172 K2 O25 Si6 U2 -","- C79 H172 K2 O25 Si6 U2 -","- C158 H344 K4 O50 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0465","0.0435","","","0.129","0.1311","","","","","","1.048","","","","has coordinates,has disorder","220745","2020-10-21","18:00:00",""
"4127477","13.9751","0.0002","18.1064","0.0003","22.0854","0.0005","90","","93.337","0.002","90","","5578.99","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H166 K2 O26 Si6 U2 -","- C73 H166 K2 O26 Si6 U2 -","- C146 H332 K4 O52 Si12 U4 -","2","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0477","0.0454","","","0.1192","0.1221","","","","","","1.042","","","","has coordinates,has disorder","220746","2020-10-21","18:00:00",""
"4127478","16.496","0.003","16.181","0.003","34.167","0.005","90","","92.685","0.002","90","","9110","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H27 N4 O13 Ti3.5 -","- C50 H27 N4 O13 Ti3.5 -","- C200 H108 N16 O52 Ti14 -","4","1","","Lan, Guangxu; Ni, Kaiyuan; Veroneau, Samuel S.; Feng, Xuanyu; Nash, Geoffrey T.; Luo, Taokun; Xu, Ziwan; Lin, Wenbin","Titanium-Based Nanoscale Metal-Organic Framework for Type I Photodynamic Therapy.","Journal of the American Chemical Society","2019","141","10","4204","4208","10.1021/jacs.8b13804","","x-ray","0.41328","synchrotron","","0.1532","0.1439","","","0.3692","0.3767","","","","","","1.062","","","","has coordinates","220747","2020-10-21","18:00:00",""
"4127479","7.5724","0.0004","11.7573","0.0006","29.8975","0.0014","90","","91.0303","0.0016","90","","2661.4","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12.5 B10 F3.5 N O -","- C4 H12.5 B10 F3.5 N O -","- C32 H100 B80 F28 N8 O8 -","8","1","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.071","0.0566","","","0.1541","0.1655","","","","","","1.04","","","","has coordinates","220748","2020-10-21","18:00:00",""
"4127480","7.259","0.002","13.814","0.004","15.014","0.005","81.928","0.008","80.42","0.009","83.744","0.009","1464.2","0.8","172","2","172","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H29 B10 F3 N4 O4 Pd S -","- C21 H29 B10 F3 N4 O4 Pd S -","- C42 H58 B20 F6 N8 O8 Pd2 S2 -","2","1","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.0873","0.0702","","","0.1625","0.1781","","","","","","1.108","","","","has coordinates","220749","2020-10-21","18:00:00",""
"4127481","18.0714","0.0015","18.635","0.0015","21.9499","0.0019","111.875","0.002","92.237","0.003","118.324","0.002","5823.9","0.9","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B10 Cl3 N O -","- C22 H24 B10 Cl3 N O -","- C176 H192 B80 Cl24 N8 O8 -","8","4","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.1712","0.0861","","","0.2824","0.3306","","","","","","1.073","","","","has coordinates,has disorder","220750","2020-10-21","18:00:00",""
"4127482","10.2815","0.0006","12.6911","0.0007","13.9103","0.0008","92.039","0.003","109.668","0.003","104.582","0.003","1639.64","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 B10 Cl N O -","- C10 H18 B10 Cl N O -","- C40 H72 B40 Cl4 N4 O4 -","4","2","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.0658","0.0508","","","0.1338","0.1458","","","","","","1.048","","","","has coordinates","220751","2020-10-21","18:00:00",""
"4127483","13.1958","0.0007","13.599","0.0007","17.6921","0.001","106.695","0.0015","90.9955","0.0017","92.0205","0.0016","3037.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 B10 N O -","- C12 H23 B10 N O -","- C72 H138 B60 N6 O6 -","6","3","","Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei","Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via ""Cage-Walking"" Strategy.","Journal of the American Chemical Society","2019","141","10","4219","4224","10.1021/jacs.9b00302","","","0.71073","MoKα","","0.1202","0.0832","","","0.2171","0.2401","","","","","","1.058","","","","has coordinates","220752","2020-10-21","18:00:00",""
"4127484","17.735","0.01","12.563","0.006","13.175","0.008","90","","131.204","0.009","90","","2209","2","113","","113","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H28 Cl N2 P2 V -","- C18 H28 Cl N2 P2 V -","- C72 H112 Cl4 N8 P8 V4 -","4","1","","Kawakita, Kento; Beaumier, Evan P.; Kakiuchi, Yuya; Tsurugi, Hayato; Tonks, Ian A.; Mashima, Kazushi","Bis(imido)vanadium(V)-Catalyzed [2+2+1] Coupling of Alkynes and Azobenzenes Giving Multisubstituted Pyrroles.","Journal of the American Chemical Society","2019","141","10","4194","4198","10.1021/jacs.8b13390","","","0.71075","MoKα","","0.0507","0.0346","","","0.0548","0.0592","","","","","","1.054","","","","has coordinates","220753","2020-10-21","18:00:00",""
"4127485","5.1733","0.0007","21.213","0.003","17.838","0.002","90","","97.186","0.003","90","","1942.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","2","","Cao, Min; Yesilcimen, Ahmet; Wasa, Masayuki","Enantioselective Conia-Ene-Type Cyclizations of Alkynyl Ketones through Cooperative Action of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>, N-Alkylamine and a Zn-Based Catalyst.","Journal of the American Chemical Society","2019","141","10","4199","4203","10.1021/jacs.8b13757","","","1.54178","CuKα","","0.0221","0.022","","","0.0569","0.057","","","","","","1.08","","","","has coordinates","220754","2020-10-21","18:00:00",""
"4127486","12.42","0.0006","12.666","0.0006","14.5678","0.0008","77.775","0.002","89.028","0.002","86.844","0.002","2236.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H52.73 Au B Cl2 F4 N4 O7.37 -","- C38 H52 Au B Cl2 F4 N4 O7.372 -","- C76 H104 Au2 B2 Cl4 F8 N8 O14.744 -","2","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0308","0.026","","","0.0552","0.0566","","","","","","1.053","","","","has coordinates,has disorder","220755","2020-10-21","18:00:00",""
"4127487","10.0952","0.0002","13.0588","0.0003","31.2002","0.0008","90","","90","","90","","4113.16","0.16","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Au B Cl2 F7 N3 O5 -","- C35 H48 Au B Cl2 F7 N3 O5 -","- C140 H192 Au4 B4 Cl8 F28 N12 O20 -","4","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0245","0.0228","","","0.0484","0.0488","","","","","","1.03","","","","has coordinates","220756","2020-10-21","18:00:00",""
"4127488","7.622","0.0005","6.488","0.0003","9.5948","0.0007","90","","112.474","0.008","90","","438.44","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0457","0.044","","","0.1317","0.1344","","","","","","1.158","","","","has coordinates","220757","2020-10-21","18:00:00",""
"4127489","7.6244","0.0005","6.493","0.0003","9.591","0.0007","90","","112.397","0.008","90","","438.99","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C8 H18 Cl6 F2 Mn2 N2 -","2","1","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0463","0.0388","","","0.1103","0.1166","","","","","","0.99","","","","has coordinates","220758","2020-10-21","18:00:00",""
"4127490","7.6808","0.0006","17.7492","0.0014","6.4998","0.0005","90","","90","","90","","886.11","0.12","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0548","0.0511","","","0.1523","0.1572","","","","","","1.054","","","","has coordinates","220759","2020-10-21","18:00:00",""
"4127491","7.6727","0.0005","17.7337","0.0011","6.5009","0.0003","90","","90","","90","","884.55","0.09","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0563","0.0453","","","0.133","0.1418","","","","","","1.102","","","","has coordinates","220760","2020-10-21","18:00:00",""
"4127492","9.138","0.0002","18.3287","0.0004","16.6855","0.0004","90","","99.23","0.003","90","","2758.43","0.11","180","0.2","180","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Cl Cr P -","- C31 H34 Cl Cr P -","- C124 H136 Cl4 Cr4 P4 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0288","0.0261","","","0.0706","0.0725","","","","","","1.023","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127493","10.8191","0.0003","16.785","0.0003","16.1306","0.0004","90","","99.642","0.003","90","","2887.91","0.12","179.99","0.14","179.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 Cl Cr P -","- C31 H46 Cl Cr P -","- C124 H184 Cl4 Cr4 P4 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0765","0.0656","","","0.1782","0.1855","","","","","","1.044","","","","has coordinates,has disorder","220762","2020-10-21","18:00:00",""
"4127494","8.4943","0.0002","17.3964","0.0005","17.6923","0.0005","74.282","0.002","84.815","0.002","86.464","0.002","2504.45","0.12","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cl Cr P -","- C25 H38 Cl Cr P -","- C100 H152 Cl4 Cr4 P4 -","4","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0899","0.0946","","","","","","1.048","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127495","17.3686","0.001","23.3588","0.0014","26.4874","0.0015","90","","90","","90","","10746.2","1.1","179.99","0.1","179.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Cr3 N8 P3 -","- C93 H102 Cr3 N8 P3 -","- C372 H408 Cr12 N32 P12 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0726","0.0469","","","0.0976","0.1058","","","","","","1.041","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127496","15.2595","0.0004","16.1681","0.0004","26.5072","0.0006","90","","90","","90","","6539.8","0.3","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Cr2 N6 P2 -","- C62 H92 Cr2 N6 P2 -","- C248 H368 Cr8 N24 P8 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0668","0.0581","","","0.1543","0.1632","","","","","","1.09","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127497","20.6373","0.0003","17.5541","0.0002","28.8861","0.0003","90","","92.318","0.001","90","","10456","0.2","180","0.1","180","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H82 Cr K N6 O6 P -","- C49 H82 Cr K N6 O6 P -","- C392 H656 Cr8 K8 N48 O48 P8 -","8","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0359","0.0321","","","0.0846","0.0868","","","","","","1.036","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127498","13.175","0.0002","14.4943","0.0002","15.6898","0.0002","115.098","0.001","97.038","0.001","94.806","0.001","2661.94","0.07","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C49 H82 Cr N6 O6 P Rb -","- C49 H82 Cr N6 O6 P Rb -","- C98 H164 Cr2 N12 O12 P2 Rb2 -","2","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0329","0.027","","","0.0693","0.0711","","","","","","1.048","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127499","25.3634","0.0004","18.6014","0.0003","24.164","0.0004","90","","93.673","0.002","90","","11377","0.3","179.99","0.1","179.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H82 Cr Cs N6 O6 P -","- C49 H82 Cr Cs N6 O6 P -","- C392 H656 Cr8 Cs8 N48 O48 P8 -","8","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0334","0.0303","","","0.0758","0.0783","","","","","","1.028","","","","has coordinates,has disorder","220762","2020-10-21","18:00:00",""
"4127500","10.8222","0.0004","11.3035","0.0004","16.5127","0.0003","90.867","0.002","101.725","0.003","103.42","0.003","1919.7","0.11","180","0.1","180","0.1","","","","","","","","6","P 1","P 1","1","","","","- C37 H64 Cr N2 P Si2 -","- C37 H64 Cr N2 P Si2 -","- C74 H128 Cr2 N4 P2 Si4 -","2","2","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0692","0.0659","","","0.1819","0.1846","","","","","","1.052","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127501","7.7553","0.0009","8.2119","0.001","8.3575","0.001","77.75","0.005","69.61","0.004","66.847","0.005","456.97","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","Fan, Jie; Liao, Ge; Kindinger, Florian; Ludwig-Radtke, Lena; Yin, Wen-Bing; Li, Shu-Ming","Peniphenone and Penilactone Formation in Penicillium crustosum via 1,4-Michael Additions of ortho-Quinone Methide from Hydroxyclavatol to γ-Butyrolactones from Crustosic Acid.","Journal of the American Chemical Society","2019","141","10","4225","4229","10.1021/jacs.9b00110","","","1.54178","CuKα","","0.0542","0.0535","","","0.1801","0.1834","","","","","","1.589","","","","has coordinates","220763","2020-10-21","18:00:00",""
"4127502","13.714","0.0005","21.0582","0.0007","27.161","0.001","90","","90","","90","","7843.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 O12 -","- C90 H120 O12 -","- C360 H480 O48 -","4","1","","Jia, Fei; Hupatz, Henrik; Yang, Liu-Pan; Schröder, Hendrik V; Li, Dong-Hao; Xin, Shan; Lentz, Dieter; Witte, Felix; Xie, Xiaojiang; Paulus, Beate; Schalley, Christoph A.; Jiang, Wei","Naphthocage: A Flexible yet Extremely Strong Binder for Singly Charged Organic Cations.","Journal of the American Chemical Society","2019","141","10","4468","4473","10.1021/jacs.9b00445","","","1.54178","CuKα","","0.2011","0.1852","","","0.3843","0.3918","","","","","","1.246","","","","has coordinates","220764","2020-10-21","18:00:00",""
"4127503","15.076","0.0004","15.076","0.0004","6.6648","0.0002","90","","90","","120","","1311.87","0.06","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0324","0.0266","","","0.0454","0.047","","","","","","1.016","","","","has coordinates","220765","2020-10-21","18:00:00",""
"4127504","15.2801","0.0003","15.2801","0.0003","6.7272","0.0002","90","","90","","120","","1360.25","0.06","373","2","373","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.166667","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.1427","0.139","","","0.4192","0.4201","","","","","","1.146","","","","has coordinates","220766","2020-10-21","18:00:00",""
"4127505","15.2403","0.0005","15.2403","0.0005","6.7047","0.0003","90","","90","","120","","1348.64","0.09","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C12 H33 Cd2 Cl7 F3 N3 -","- C12 H33 Cd2 Cl7 F3 N3 -","- C24 H66 Cd4 Cl14 F6 N6 -","2","0.333333","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0373","0.0295","","","0.0754","0.0794","","","","","","1.068","","","","has coordinates","220767","2020-10-21","18:00:00",""
"4127506","6.7388","0.0003","15.1099","0.0007","10.4269","0.0007","90","","118.749","0.004","90","","930.82","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N -","- C4 H12 Cd Cl3 N -","- C16 H48 Cd4 Cl12 N4 -","4","1","","Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen","Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>).","Journal of the American Chemical Society","2019","141","10","4372","4378","10.1021/jacs.8b13109","","","0.71073","MoKα","","0.0852","0.0683","","","0.1604","0.1678","","","","","","1.018","","","","has coordinates","220768","2020-10-21","18:00:00",""
"4127507","14.838","0.005","16.122","0.005","20.858","0.006","102.267","0.004","91.596","0.004","108.174","0.006","4609","2","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H170 Cu6 F24 N6 P16 -","- C150 H170 Cu6 F24 N6 P16 -","- C150 H170 Cu6 F24 N6 P16 -","1","0.5","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.1079","0.0699","","","0.1788","0.2283","","","","","","1.093","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127508","20.1652","0.0001","22.4654","0.0002","24.3771","0.0001","70.24","0.003","69.104","0.003","86.578","0.004","9686.2","0.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H182 Cu6 F24 N8 P16 -","- C162 H182 Cu6 F24 N8 P16 -","- C324 H364 Cu12 F48 N16 P32 -","2","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0561","0.0475","","","0.1278","0.1387","","","","","","1.08","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127509","15.87","0.003","16.613","0.003","21.508","0.004","90","","102.508","0.002","90","","5536","1.8","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49 H52 Cu2 F12 N4 P6 -","- C49 H52 Cu2 F12 N4 P6 -","- C196 H208 Cu8 F48 N16 P24 -","4","1","","Nakajima, Takayuki; Kamiryo, Yoshia; Kishimoto, Masayo; Imai, Kaho; Nakamae, Kanako; Ura, Yasuyuki; Tanase, Tomoaki","Synergistic Cu<sub>2</sub> Catalysts for Formic Acid Dehydrogenation.","Journal of the American Chemical Society","2019","141","22","8732","8736","10.1021/jacs.9b03532","","","0.71075","MoKα","","0.0282","0.0257","","","0.0619","0.0631","","","","","","1.008","","","","has coordinates","220769","2020-10-21","18:00:00",""
"4127510","14.6328","0.0004","14.6409","0.0003","18.168","0.0003","94.984","0.002","112.238","0.002","90.794","0.002","3584.52","0.15","183.05","0.1","183.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H94.6 Co4 N8 O37.3 -","- C52 H52 Co4 N8 O37.3 -","- C104 H104 Co8 N16 O74.6 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0716","0.0529","","","0.133","0.1447","","","","","","1.046","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127511","23.9436","0.0004","23.9436","0.0004","23.9436","0.0004","90","","90","","90","","13726.8","0.4","183.05","0.1","183.05","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C44 H40 Cl4 Co4 N8 O10 -","- C44 H40 Cl4 Co4 N8 O10 -","- C528 H480 Cl48 Co48 N96 O120 -","12","0.25","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0297","0.0281","","","0.0687","0.0697","","","","","","1.058","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127512","12.6957","0.0004","14.2283","0.0005","15.5843","0.0004","90.19","0.002","105.029","0.003","92.381","0.003","2716.19","0.15","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H53 Co4 N9 O21 -","- C50 H51 Co4 N9 O21 -","- C100 H102 Co8 N18 O42 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0491","0.0361","","","0.0843","0.0911","","","","","","1.027","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127513","12.7299","0.0004","14.2087","0.0005","15.7489","0.0008","89.78","0.003","73.273","0.004","86.642","0.003","2723.1","0.2","183.05","0.1","183.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H51 B Co4 F4 N8 O17 -","- C50 H49 B Co4 F4 N8 O16 -","- C100 H98 B2 Co8 F8 N16 O32 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","","0.71073","MoKα","","0.0601","0.0441","","","0.1022","0.1111","","","","","","1.029","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127514","12.9163","0.0004","14.142","0.0003","16.2926","0.0004","89.681","0.002","72.126","0.002","86.839","0.002","2827.89","0.13","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H51 Co4 F6 N8 O16.5 P -","- C50.5 H50.913 Co4 F6 N8 O16.4565 P -","- C101 H101.826 Co8 F12 N16 O32.913 P2 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0459","0.0367","","","0.0921","0.0971","","","","","","1.043","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127515","15.4022","0.0005","24.0916","0.0006","16.0068","0.0005","90","","96.849","0.003","90","","5897.2","0.3","183","2","183","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B2 Co4 F8 N8 O20 -","- C48 H56 B2 Co4 F8 N8 O20 -","- C192 H224 B8 Co16 F32 N32 O80 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0671","0.0415","","","0.0899","0.1032","","","","","","1.034","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127516","12.7097","0.0002","14.2447","0.0003","15.7479","0.0003","90.0964","0.0015","105.617","0.0015","92.2521","0.0014","2743.49","0.09","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51.85 Cl Co4 N8 O20.42 -","- C50 H47 Cl Co4 N8 O20.4248 -","- C100 H94 Cl2 Co8 N16 O40.8496 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0495","0.0401","","","0.1086","0.1135","","","","","","1.033","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127517","22.6584","0.0005","12.1359","0.0003","21.1615","0.0005","90","","115.784","0.003","90","","5239.7","0.3","159.99","0.1","159.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 B2 Co4 F8 N8 O14 -","- C48 H46 B2 Co4 F8 N8 O14 -","- C192 H184 B8 Co16 F32 N32 O56 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0529","0.0484","","","0.1375","0.1422","","","","","","1.026","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127518","22.3692","0.0006","12.07776","0.00019","21.0774","0.0005","90","","115.686","0.003","90","","5131.8","0.2","160","0.1","160","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co4 N8 O20 -","- C48 H46 Cl2 Co4 N8 O20 -","- C192 H184 Cl8 Co16 N32 O80 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0679","0.0564","","","0.1574","0.1669","","","","","","1.048","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127519","22.5898","0.0006","11.955","0.0002","21.4009","0.0006","90","","116.258","0.003","90","","5183.2","0.3","160","0.1","160","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Co4 N10 O20 -","- C48 H46 Co4 N10 O20 -","- C192 H184 Co16 N40 O80 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0571","0.0507","","","0.151","0.1572","","","","","","1.057","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127520","11.7024","0.0002","12.9555","0.0003","19.8107","0.0004","91.1275","0.0017","100.374","0.0015","106.123","0.0017","2830.48","0.1","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 Co4 N12 O30 -","- C44 H44 Co4 N12 O30 -","- C88 H88 Co8 N24 O60 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0609","0.0517","","","0.1501","0.1575","","","","","","1.056","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127521","12.6067","0.001","14.0325","0.0006","18.7571","0.0012","90","","106.059","0.007","90","","3188.7","0.4","184","3","184","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Co4 N8 O20 -","- C60 H71.414 Co4 N8 O20 -","- C120 H142.828 Co8 N16 O40 -","2","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0788","0.0489","","","0.1129","0.1272","","","","","","1.02","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127522","9.2864","0.0002","21.6644","0.0005","18.8463","0.0005","90","","95.987","0.002","90","","3770.9","0.16","182.9","0.7","182.9","0.7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 Co2 N5 O7 -","- C40 H37 Co2 N5 O7 -","- C160 H148 Co8 N20 O28 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0442","0.0353","","","0.0784","0.0828","","","","","","1.031","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127523","11.9321","0.0001","13.3864","0.0001","23.8027","0.0002","91.281","0.001","92.085","0.001","107.581","0.001","3619.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60.21 Co5 N15 O29.5 -","- C66 H60.212 Co5 N15 O29.5 -","- C132 H120.424 Co10 N30 O59 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0515","0.0419","","","0.1068","0.1144","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127524","14.7712","0.0002","17.5108","0.0003","17.9137","0.0002","63.079","0.002","70.43","0.001","65.817","0.002","3704.6","0.12","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H90 Co4 N8 O37 -","- C52 H52 Co4 N8 O37 -","- C104 H104 Co8 N16 O74 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1707","0.1876","","","","","","1.014","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127525","22.7806","0.0017","12.0764","0.0005","21.2581","0.0013","90","","116.313","0.008","90","","5242.3","0.7","183.05","0.1","183.05","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 B2 Co2.3 F8 N8 Ni1.7 O14 -","- C48 H46 B2 Co2.3 F8 N8 Ni1.7 O14 -","- C192 H184 B8 Co9.2 F32 N32 Ni6.8 O56 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0647","0.0519","","","0.1478","0.1615","","","","","","1.046","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127526","22.4421","0.0009","12.016","0.0003","21.2212","0.0008","90","","116.299","0.005","90","","5130.3","0.4","183.05","0.1","183.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl2 Co2.3 N8 Ni1.7 O21 -","- C48 H46 Cl2 Co2.3 N8 Ni1.7 O21 -","- C192 H184 Cl8 Co9.2 N32 Ni6.8 O84 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0609","0.041","","","0.1009","0.1171","","","","","","1.067","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127527","22.7499","0.0014","12.1315","0.0006","21.164","0.0012","90","","115.903","0.008","90","","5254.2","0.6","183.05","0.1","183.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cl2 Co1.94 N8 Ni2.06 O22 -","- C48 H46 Cl2 Co1.92 N8 Ni2.08 O22 -","- C192 H184 Cl8 Co7.68 N32 Ni8.32 O88 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0723","0.053","","","0.1344","0.1511","","","","","","1.04","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127528","12.2745","0.0003","13.3722","0.0004","19.5727","0.0004","88.324","0.002","73.699","0.002","64.454","0.003","2766.35","0.15","183","0.1","183","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 Co1.66 F12 N8 Ni2.34 O14 P2 -","- C48 H46 Co1.64 F12 N8 Ni2.36 O14 P2 -","- C96 H92 Co3.28 F24 N16 Ni4.72 O28 P4 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0734","0.0601","","","0.1749","0.1896","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127529","11.9719","0.0003","24.6331","0.0006","21.5467","0.0005","90","","101.719","0.003","90","","6221.8","0.3","160","0.1","160","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 B Co1.54 F4 N8 Ni2.46 O25 -","- C50 H51 B Co1.52 F4 N8 Ni2.48 O25 -","- C200 H204 B4 Co6.08 F16 N32 Ni9.92 O100 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0518","0.0408","","","0.1168","0.1229","","","","","","1.054","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127530","12.2353","0.0007","17.64","0.001","27.9435","0.0014","90","","99.12","0.005","90","","5954.8","0.6","183","0.14","183","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl Co2.34 N8 Ni1.66 O22 -","- C50 H57 Cl Co2.34 N8 Ni1.66 O22 -","- C200 H228 Cl4 Co9.36 N32 Ni6.64 O88 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0747","0.0567","","","0.1407","0.1498","","","","","","1.1","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127531","12.0091","0.0003","23.9541","0.0007","21.5009","0.0005","90","","100.068","0.002","90","","6089.9","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl Co2.32 N8 Ni1.68 O28 -","- C50 H67 Cl Co2.32 N8 Ni1.68 O28 -","- C200 H268 Cl4 Co9.28 N32 Ni6.72 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0576","0.0366","","","0.0693","0.0746","","","","","","1.013","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127532","12.0492","0.0002","24.3545","0.0004","21.4569","0.0004","90","","100.118","0.0017","90","","6198.65","0.19","160.01","0.1","160.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl Co1.9 N8 Ni2.1 O29 -","- C50 H67 Cl Co1.9 N8 Ni2.1 O29 -","- C200 H268 Cl4 Co7.6 N32 Ni8.4 O116 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0422","0.037","","","0.1052","0.1076","","","","","","1.091","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127533","11.9277","0.0003","23.7667","0.0006","21.4551","0.0005","90","","99.791","0.002","90","","5993.5","0.3","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Co1.54 N9 Ni2.46 O28 -","- C50 H67 Co1.54 N9 Ni2.46 O28 -","- C200 H268 Co6.16 N36 Ni9.84 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0538","0.0425","","","0.1031","0.1074","","","","","","1.041","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127534","12.105","0.0003","24.6661","0.0008","21.5614","0.0006","90","","100.632","0.002","90","","6327.3","0.3","183","0.14","183","0.14","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Co2.36 F6 N8 Ni1.64 O25 P -","- C50 H61 Co2.36 F6 N8 Ni1.64 O25 P -","- C200 H244 Co9.44 F24 N32 Ni6.56 O100 P4 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0724","0.0504","","","0.1371","0.1538","","","","","","1.033","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127535","22.5327","0.0003","11.87693","0.00011","21.4511","0.0002","90","","116.456","0.0014","90","","5139.55","0.11","160","0.1","160","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H47.6 N10 Ni4 O21.42 -","- C48 H46 N10 Ni4 O21.418 -","- C192 H184 N40 Ni16 O85.672 -","4","0.5","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0508","0.0463","","","0.1256","0.1293","","","","","","1.036","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127536","11.60874","0.00012","12.86774","0.00012","19.73943","0.00015","91.543","0.0007","99.0305","0.0008","106.203","0.0008","2788.63","0.05","160","0.1","160","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N12 Ni4 O30 -","- C44 H44 N12 Ni4 O30 -","- C88 H88 N24 Ni8 O60 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0442","0.0403","","","0.1129","0.1162","","","","","","1.053","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127537","11.7709","0.0003","13.3769","0.0003","17.3977","0.0004","91.475","0.002","100.3","0.002","91.778","0.002","2692.6","0.11","183.1","0.3","183.1","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C46 H53 N11 Ni4 O26 -","- C46 H51 N11 Ni4 O26 -","- C92 H102 N22 Ni8 O52 -","2","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","1.54184","CuKα","","0.0519","0.0351","","","0.0777","0.084","","","","","","1.013","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127538","11.9815","0.0003","24.6554","0.0007","21.5499","0.0006","90","","101.629","0.003","90","","6235.4","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 B F4 N8 Ni4 O25 -","- C50 H50.508 B F4 N8 Ni4 O24.999 -","- C200 H202.032 B4 F16 N32 Ni16 O99.996 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0513","0.0393","","","0.1003","0.1061","","","","","","1.037","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127539","11.951","0.0003","24.1715","0.0005","21.506","0.0006","90","","100.333","0.002","90","","6111.8","0.3","183","0.1","183","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 Cl N8 Ni4 O25.5 -","- C50 H47 Cl N8 Ni4 O25.5 -","- C200 H188 Cl4 N32 Ni16 O102 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0515","0.0413","","","0.1141","0.1203","","","","","","1.03","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127540","11.9897","0.0003","23.9258","0.0005","21.4676","0.0005","90","","100.261","0.002","90","","6059.8","0.2","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl N8 Ni4 O28 -","- C50 H67 Cl N8 Ni4 O28 -","- C200 H268 Cl4 N32 Ni16 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0699","0.0627","","","0.1572","0.1602","","","","","","1.186","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127541","12.0432","0.0002","24.3255","0.0004","21.4471","0.0004","90","","100.226","0.0018","90","","6183.27","0.19","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cl N8 Ni4 O29 -","- C50 H67 Cl N8 Ni4 O29 -","- C200 H268 Cl4 N32 Ni16 O116 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0499","0.0424","","","0.1145","0.1201","","","","","","1.054","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127542","11.9474","0.0003","23.7932","0.0007","21.4982","0.0006","90","","99.884","0.003","90","","6020.5","0.3","183","0.1","183","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 N9 Ni4 O28 -","- C50 H67 N9 Ni4 O28 -","- C200 H268 N36 Ni16 O112 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0567","0.0382","","","0.0911","0.0979","","","","","","1.027","","","","has coordinates","220770","2020-10-21","18:00:00",""
"4127543","12.0535","0.0003","24.6786","0.0006","21.4781","0.0005","90","","100.613","0.002","90","","6279.7","0.3","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 F6 N8 Ni4 O25 P -","- C50 H57 F6 N8 Ni4 O25 P -","- C200 H228 F24 N32 Ni16 O100 P4 -","4","1","","Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R.","Mechanistically Driven Control over Cubane Oxo Cluster Catalysts.","Journal of the American Chemical Society","2019","141","22","8846","8857","10.1021/jacs.9b01356","","x-ray","0.71073","MoKα","","0.0679","0.0596","","","0.1497","0.1532","","","","","","1.124","","","","has coordinates,has disorder","220770","2020-10-21","18:00:00",""
"4127544","5.7757","0.0006","10.0831","0.0012","12.4448","0.0014","70.856","0.005","84.636","0.005","73.657","0.005","657","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 B2 O4 S2 -","- C30 H30 B2 O4 S2 -","- C30 H30 B2 O4 S2 -","1","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0342","0.0333","","","0.0897","0.0906","","","","","","1.057","","","","has coordinates","220771","2020-10-21","18:00:00",""
"4127545","9.4061","0.0005","11.8145","0.0007","15.8718","0.0009","90","","95.27","0.002","90","","1756.35","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 B2 -","- C48 H40 B2 -","- C96 H80 B4 -","2","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0465","0.0419","","","0.1082","0.113","","","","","","1.034","","","","has coordinates","220772","2020-10-21","18:00:00",""
"4127546","5.6393","0.0004","12.8559","0.0008","14.1348","0.0009","80.086","0.003","89.946","0.003","85.751","0.003","1006.6","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 B2 O10 -","- C48 H52 B2 O10 -","- C48 H52 B2 O10 -","1","0.5","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0653","0.057","","","0.1559","0.1655","","","","","","1.055","","","","has coordinates,has disorder","220773","2020-10-21","18:00:00",""
"4127547","14.7128","0.0005","14.9182","0.0005","16.4821","0.0006","74.5203","0.0018","87.2248","0.0019","86.8565","0.0018","3479","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68.99 H46.97 B4 F20 O8.5 S4.5 -","- C68.99 H46.97 B4 F20 O8.495 S4.495 -","- C137.98 H93.94 B8 F40 O16.99 S8.99 -","2","1","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0871","0.0758","","","0.205","0.2149","","","","","","1.05","","","","has coordinates,has disorder","220774","2020-10-21","18:00:00",""
"4127548","13.5878","0.0004","7.1239","0.0002","22.9259","0.0007","90","","98.4482","0.0013","90","","2195.1","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F10 -","- C30 H12 F10 -","- C120 H48 F40 -","4","1","","Farrell, Jeffrey M.; Mützel, Carina; Bialas, David; Rudolf, Maximilian; Menekse, Kaan; Krause, Ana-Maria; Stolte, Matthias; Würthner, Frank","Tunable Low-LUMO Boron-Doped Polycyclic Aromatic Hydrocarbons by General One-Pot C-H Borylations.","Journal of the American Chemical Society","2019","141","22","9096","9104","10.1021/jacs.9b04675","","","1.54178","CuKα","","0.0647","0.06","","","0.1643","0.1684","","","","","","1.083","","","","has coordinates","220775","2020-10-21","18:00:00",""
"4127549","11.4364","0.0013","15.6713","0.0018","16.661","0.002","90.509","0.006","91.262","0.007","98.341","0.006","2953.5","0.6","104","","104.57","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H101 B Co I Na O6 P3 -","- C51 H101 B Co I Na O6 P3 -","- C102 H202 B2 Co2 I2 Na2 O12 P6 -","2","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.71073","MoKα","","0.0784","0.0633","","","0.1419","0.1489","","","","","","1.083","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127550","11.5244","0.0004","12.7658","0.0004","21.215","0.0007","95.296","0.001","96.883","0.001","107.287","0.001","2931.59","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","[[BP2iPr](PhSiH2)CoH2]Si[H2Co[BP3iPr]]","","- C53 H101 B2 Co2 P5 Si2 -","- C53 H101 B2 Co2 P5 Si2 -","- C106 H202 B4 Co4 P10 Si4 -","2","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0749","0.0504","","","0.105","0.1152","","","","","","1.034","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127551","21.403","0.001","10.1831","0.0005","21.2625","0.001","90","","90","","90","","4634.1","0.4","100","2","100.15","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C44 H79 B Co N2 O P3 Si -","- C44 H79 B Co N2 O P3 Si -","- C176 H316 B4 Co4 N8 O4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0327","0.0289","","","0.0709","0.0797","","","","","","1.119","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127552","12.1123","0.0006","21.5468","0.0011","22.5752","0.0011","90","","90","","90","","5891.7","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[BP2]Co(dmap)}Si{H2Co[BP3[)","","- C54 H99 B2 Co2 N2 P5 Si -","- C54 H99 B2 Co2 N2 P5 Si -","- C216 H396 B8 Co8 N8 P20 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0518","0.0413","","","0.0936","0.0988","","","","","","1.023","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127553","13.6934","0.0006","16.3703","0.0007","18.7873","0.0008","90","","97.246","0.002","90","","4177.8","0.3","98.15","","98.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H71 B Co N2 P3 -","- C41 H71 B Co N2 P3 -","- C164 H284 B4 Co4 N8 P12 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","","0.7288","synchrotron","","0.0466","0.0362","","","0.0847","0.093","","","","","","1.088","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127554","13.211","0.0006","19.7623","0.001","13.6214","0.0007","90","","91.36","0.002","90","","3555.3","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[BP2]Co(SiHPhCH2PiPr2)H2","","- C33 H61 B Co P3 Si -","- C33 H61 B Co P3 Si -","- C132 H244 B4 Co4 P12 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.054","0.0373","","","0.0775","0.0842","","","","","","1.043","","","","has coordinates","220776","2020-10-21","18:00:00",""
"4127555","10.18015","0.00005","18.14258","0.00009","13.248","0.00006","90","","96.6667","0.0004","90","","2430.28","0.02","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 B F8 N6 Ni -","- C22 H21 B F8 N6 Ni -","- C88 H84 B4 F32 N24 Ni4 -","4","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0336","0.0332","","","0.0862","0.0865","","","","","","1.069","","","","has coordinates","220777","2020-10-21","18:00:00",""
"4127556","18.20014","0.0001","10.42886","0.00005","18.97636","0.00009","90","","110.941","0.0006","90","","3363.93","0.03","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 B F8 N6 Ni -","- C13 H10 B F8 N6 Ni -","- C104 H80 B8 F64 N48 Ni8 -","8","2","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.0301","0.0294","","","0.0807","0.0815","","","","","","1.015","","","","has coordinates","220778","2020-10-21","18:00:00",""
"4127557","16.0863","0.0011","13.4144","0.0003","7.6365","0.0001","90","","90","","90","","1647.87","0.12","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54178","CuKα","","0.037","0.0364","","","0.1024","0.1031","","","","","","1.095","","","","has coordinates","220779","2020-10-21","18:00:00",""
"4127558","7.3536","0.0003","17.7538","0.0005","17.6299","0.0007","90","","95.986","0.003","90","","2289.11","0.15","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 B F9 N6 Ni O2 -","- C20 H14 B F9 N6 Ni O2 -","- C80 H56 B4 F36 N24 Ni4 O8 -","4","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0774","0.0672","","","0.1642","0.1694","","","","","","1.154","","","","has coordinates,has disorder","220780","2020-10-21","18:00:00",""
"4127559","9.5099","0.0003","9.9578","0.0003","12.0931","0.0003","98.118","0.002","92.716","0.002","106.997","0.003","1079.43","0.06","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 B F9 N6 Ni -","- C19 H14 B F9 N6 Ni -","- C38 H28 B2 F18 N12 Ni2 -","2","1","","Bour, James R.; Ferguson, Devin M.; McClain, Edward J.; Kampf, Jeff W.; Sanford, Melanie S.","Connecting Organometallic Ni(III) and Ni(IV): Reactions of Carbon-Centered Radicals with High-Valent Organonickel Complexes.","Journal of the American Chemical Society","2019","141","22","8914","8920","10.1021/jacs.9b02411","","","1.54184","CuKα","","0.0457","0.0439","","","0.1189","0.1214","","","","","","1.031","","","","has coordinates","220781","2020-10-21","18:00:00",""
"4127560","7.685","0.002","15.605","0.005","16.223","0.005","74.967","0.005","89.639","0.006","79.799","0.006","1847.6","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C80 H96 Cl4 Ir4 N8 O4 -","4","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0868","0.0506","","","0.0821","0.0915","","","","","","0.88","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127561","8.2734","0.0017","14.594","0.003","15.557","0.003","90","","93.433","0.004","90","","1875","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl Ir N2 -","- C20 H24 Cl Ir N2 -","- C80 H96 Cl4 Ir4 N8 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0493","0.0358","","","0.0682","0.0714","","","","","","0.922","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127562","13.213","0.002","22.91","0.004","7.9438","0.0012","90","","125.501","0.002","90","","1957.7","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H27 Cl N3 Rh -","- C21 H27 Cl N3 Rh -","- C84 H108 Cl4 N12 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0255","0.0239","","","0.0485","0.049","","","","","","0.99","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127563","7.6118","0.0017","15.544","0.003","16.253","0.004","75.165","0.004","89.518","0.004","79.832","0.004","1828.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C80 H96 Cl4 N8 O4 Rh4 -","4","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0537","0.0387","","","0.0732","0.0784","","","","","","0.939","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127564","7.4249","0.001","20.189","0.003","27.124","0.004","90","","92.946","0.004","90","","4060.5","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H25 Cl2 N2 Rh -","- C20.5 H25 Cl2 N2 Rh -","- C164 H200 Cl16 N16 Rh8 -","8","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.1003","0.0557","","","0.0839","0.0948","","","","","","0.855","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4127565","7.8393","0.0015","11.816","0.002","12.944","0.002","95.293","0.003","102.089","0.003","104.111","0.003","1124","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl F3 N2 Rh -","- C23 H28 Cl F3 N2 Rh -","- C46 H56 Cl2 F6 N4 Rh2 -","2","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0404","0.0348","","","0.0817","0.0841","","","","","","1.025","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127566","15.56","0.005","14.528","0.005","16.734","0.006","90","","90","","90","","3783","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C160 H192 Cl8 Ir8 N16 O8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0585","0.0382","","","0.0757","0.0814","","","","","","0.982","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127567","15.47","0.002","14.542","0.002","16.668","0.003","90","","90","","90","","3749.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C160 H192 Cl8 N16 O8 Rh8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0564","0.0374","","","0.0734","0.0778","","","","","","0.919","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127568","14.863","0.007","15.107","0.007","19.157","0.008","90","","102.896","0.01","90","","4193","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H22 Cl2 F3 N2 Rh -","- C20.5 H22 Cl2 F3 N2 Rh -","- C164 H176 Cl16 F24 N16 Rh8 -","8","2","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.1642","0.0738","","","0.1159","0.1411","","","","","","0.852","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4127569","7.7784","0.0017","15.378","0.003","18.919","0.004","90","","90","","90","","2263","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 N3 O2 Rh -","- C20 H23 Cl3 N3 O2 Rh -","- C80 H92 Cl12 N12 O8 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0525","0.0454","","","0.0965","0.0992","","","","","","0.996","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127570","7.6256","0.0004","7.4766","0.0003","9.9777","0.0005","90","","108.663","0.002","90","","538.95","0.05","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C28 H24 O4 -","2","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0294","0.0269","","","0.0861","0.097","","","","","","1.294","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127571","10.53","0.004","7.555","0.003","15.466","0.006","90","","105.601","0.005","90","","1185.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","","Zheng, Hao; Ye, Hebo; Yu, Xiaoxia; You, Lei","Interplay between n→π* Interactions and Dynamic Covalent Bonds: Quantification and Modulation by Solvent Effects.","Journal of the American Chemical Society","2019","141","22","8825","8833","10.1021/jacs.9b01006","","","0.71073","MoKα","","0.0424","0.0359","","","0.0984","0.1029","","","","","","1.049","","","","has coordinates","220783","2020-10-21","18:00:00",""
"4127572","29.482","0.006","30.095","0.006","33.669","0.007","97.35","0.03","93.16","0.03","112.74","0.03","27146","12","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H88 B2 F8 N16 O16 Pd2 -","- C188 H88 B2 F8 N16 O16 Pd2 -","- C1128 H528 B12 F48 N96 O96 Pd12 -","6","3","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.115","0.0887","","","0.282","0.3067","","","","","","1.165","","","","has coordinates,has disorder","220784","2020-10-21","18:00:00",""
"4127573","16.884","0.003","19.386","0.004","32.974","0.007","90","","103.27","0.03","90","","10505","4","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C160 H104 B4 F16 N16 O16 Pd2 -","- C160 H104 B4 F16 N16 O16 Pd2 -","- C320 H208 B8 F32 N32 O32 Pd4 -","2","0.5","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.0947","0.0791","","","0.2484","0.2696","","","","","","1.074","","","","has coordinates","220785","2020-10-21","18:00:00",""
"4127574","18.628","0.004","37.428","0.008","25.814","0.005","90","","92.11","0.03","90","","17986","6","80","2","80","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C214 H126 B2 Cl2 F8 N14 O16 Pd2 -","- C214 H126 B2 Cl2 F8 N14 O16 Pd2 -","- C856 H504 B8 Cl8 F32 N56 O64 Pd8 -","4","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.1517","0.123","","","0.3579","0.3816","","","","","","1.474","","","","has coordinates,has disorder","220786","2020-10-21","18:00:00",""
"4127575","18.9931","0.0018","20.6975","0.0019","24.287","0.002","69.678","0.006","72.978","0.006","69.473","0.006","8224.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H96 B4 F16 N18 O12 Pd2 -","- C192 H96 B4 F16 N18 O12 Pd2 -","- C384 H192 B8 F32 N36 O24 Pd4 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.1412","0.0994","","","0.2438","0.2675","","","","","","1.063","","","","has coordinates,has disorder","220787","2020-10-21","18:00:00",""
"4127576","7.3461","0.0002","8.2067","0.0003","23.9093","0.0008","90","","93.499","0.002","90","","1438.74","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H26 N4 O4 -","- C40 H26 N4 O4 -","- C80 H52 N8 O8 -","2","1","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","1.54178","CuKα","","0.0321","0.029","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","220788","2020-10-21","18:00:00",""
"4127577","15.689","0.003","17.074","0.003","17.522","0.004","112.9","0.03","113.54","0.03","90.59","0.03","3887","2","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H88 B4 F16 N16 O16 Pd2 -","- C128 H88 B4 F16 N16 O16 Pd2 -","- C128 H88 B4 F16 N16 O16 Pd2 -","1","0.5","","Chen, Bin; Holstein, Julian J.; Horiuchi, Shinnosuke; Hiller, Wolf G.; Clever, Guido H.","Pd(II) Coordination Sphere Engineering: Pyridine Cages, Quinoline Bowls, and Heteroleptic Pills Binding One or Two Fullerenes.","Journal of the American Chemical Society","2019","141","22","8907","8913","10.1021/jacs.9b02207","","","0.6888","synchrotron","","0.0949","0.0801","","","0.2478","0.2626","","","","","","1.049","","","","has coordinates,has disorder","220789","2020-10-21","18:00:00",""
"4127578","15.3169","0.0012","8.695","0.0007","11.702","0.0009","90","","102.131","0.0016","90","","1523.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KZ1","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0507","0.0421","","","0.1099","0.115","","","","","","1.063","","","","has coordinates","220790","2020-10-21","18:00:00",""
"4127579","6.6727","0.0001","17.8456","0.0004","12.3622","0.0003","90","","98.4333","0.0007","90","","1456.15","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","KZ3","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.0225","0.0222","","","0.0548","0.0549","","","","","","1.074","","","","has coordinates","220791","2020-10-21","18:00:00",""
"4127580","12.564","0.0005","9.2554","0.0004","12.341","0.0005","90","","91.5498","0.0012","90","","1434.55","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KZ-I-417","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","1.54178","CuKα","","0.035","0.0337","","","0.0796","0.0806","","","","","","1.034","","","","has coordinates","220792","2020-10-21","18:00:00",""
"4127581","6.7263","0.0005","9.6206","0.0007","10.0133","0.0007","114.987","0.002","102.242","0.002","94.169","0.002","564.26","0.07","100","2","100","2","","","","","","","","3","P 1","P 1","1","KY1-Mo","","","- C28 H40 O2 -","- C28 H40 O2 -","- C28 H40 O2 -","1","1","","Zhao, Kuo; Yamashita, Kenji; Carpenter, Joseph E.; Sherwood, Trevor C.; Ewing, William R.; Cheng, Peter T. W.; Knowles, Robert R.","Catalytic Ring Expansions of Cyclic Alcohols Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","141","22","8752","8757","10.1021/jacs.9b03973","","","0.71073","MoKα","","0.0347","0.032","","","0.0876","0.0899","","","","","","1.028","","","","has coordinates","220793","2020-10-21","18:00:00",""
"4127582","23.0932","0.0015","8.0164","0.0004","20.0514","0.0018","90","","105.212","0.008","90","","3581.9","0.5","200","","200","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C21 H12 N12 O6 -","- C21 H12 N12 O6 -","- C84 H48 N48 O24 -","4","0.5","","Han, Bin; Wang, Hailong; Wang, Chiming; Wu, Hui; Zhou, Wei; Chen, Banglin; Jiang, Jianzhuang","Postsynthetic Metalation of a Robust Hydrogen-Bonded Organic Framework for Heterogeneous Catalysis.","Journal of the American Chemical Society","2019","141","22","8737","8740","10.1021/jacs.9b03766","","","1.54178","CuKα","","0.0862","0.074","","","0.2145","0.2254","","","","","","1.061","","","","has coordinates","220794","2020-10-21","18:00:00",""
"4127583","8.5938","0.0003","12.6025","0.0005","18.7895","0.0007","90.27","0.002","98.808","0.002","103.186","0.002","1956.29","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cl F12 N5 P2 -","- C30 H42 Cl F12 N5 P2 -","- C60 H84 Cl2 F24 N10 P4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0752","0.0524","","","0.1161","0.1289","","","","","","1.038","","","","has coordinates,has disorder","220795","2020-10-21","18:00:00",""
"4127584","12.5792","0.0004","12.9314","0.0004","15.3966","0.0005","102.596","0.0014","96.241","0.002","113.505","0.0013","2187.18","0.13","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H47 Cl F12 N5 O0.5 P2 Se2 -","- C30 H42 Cl F12 N5 P2 Se2 -","- C60 H84 Cl2 F24 N10 P4 Se4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0598","0.0431","","","0.0996","0.1078","","","","","","1.019","","","","has coordinates","220796","2020-10-21","18:00:00",""
"4127585","12.4964","0.0004","13.1178","0.0004","15.3713","0.0005","87.935","0.002","82.314","0.002","67.01","0.002","2298.41","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl F24 N5 P2 -","- C38 H30 Cl F24 N5 P2 -","- C76 H60 Cl2 F48 N10 P4 -","2","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0792","0.0632","","","0.1583","0.1733","","","","","","1.037","","","","has coordinates,has disorder","220797","2020-10-21","18:00:00",""
"4127586","13.9922","0.0004","14.11","0.0004","21.4076","0.0006","90","","93.5574","0.0014","90","","4218.4","0.2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Au2 Cl3 F12 N5 P2 -","- C30 H42 Au2 Cl3 F12 N5 P2 -","- C120 H168 Au8 Cl12 F48 N20 P8 -","4","1","","Plajer, Alex J.; Zhu, Jinbo; Proehm, Patrick; Bond, Andrew D.; Keyser, Ulrich F.; Wright, Dominic S.","Tailoring the Binding Properties of Phosphazane Anion Receptors and Transporters.","Journal of the American Chemical Society","2019","141","22","8807","8815","10.1021/jacs.9b00504","","","1.54178","CuKα","","0.0459","0.0296","","","0.0527","0.057","","","","","","1.013","","","","has coordinates,has disorder","220798","2020-10-21","18:00:00",""
"4127587","6.602","0.0002","21.2549","0.0006","11.3873","0.0003","90","","103.046","0.001","90","","1556.68","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Br2 N O -","- C17 H15 Br2 N O -","- C68 H60 Br8 N4 O4 -","4","2","","Allen, Jamie R.; Bahamonde, Ana; Furukawa, Yukino; Sigman, Matthew S.","Enantioselective N-Alkylation of Indoles via an Intermolecular Aza-Wacker-Type Reaction.","Journal of the American Chemical Society","2019","141","22","8670","8674","10.1021/jacs.9b01476","","","0.71073","MoKα","","0.0422","0.0298","","","0.0615","0.0643","","","","","","1.039","","","","has coordinates,has disorder","220799","2020-10-21","18:00:00",""
"4127588","13.106","0.0006","19.2811","0.0011","25.7572","0.0014","90","","97.696","0.002","90","","6450.2","0.6","151","2","151","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 F20 N4 O3 Ru -","- C70 H56 F20 N4 O3 Ru -","- C280 H224 F80 N16 O12 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","0.71073","MoKα","","0.0632","0.0395","","","0.0746","0.0829","","","","","","1.023","","","","has coordinates,has disorder","220800","2020-10-21","18:00:00",""
"4127589","10.8495","0.0006","6.8023","0.0003","16.472","0.0009","90","","107.56","0.002","90","","1159.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Br2 N O2 -","- C12 H7 Br2 N O2 -","- C48 H28 Br8 N4 O8 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","0.71073","MoKα","","0.0389","0.0305","","","0.0764","0.0811","","","","","","1.083","","","","has coordinates","220801","2020-10-21","18:00:00",""
"4127590","17.3283","0.0008","18.8683","0.001","20.1718","0.001","90","","108.391","0.003","90","","6258.4","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 N4 O3 Ru -","- C72 H78 N4 O3 Ru -","- C288 H312 N16 O12 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","1.54178","CuKα","","0.0862","0.0689","","","0.1803","0.202","","","","","","1.049","","","","has coordinates","220802","2020-10-21","18:00:00",""
"4127591","15.9947","0.0017","19.257","0.002","19.861","0.002","90","","95.902","0.004","90","","6085","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 Br2 Cl2 N4 O3 Ru -","- C63 H58 Br2 N4 O2 Ru -","- C252 H232 Br8 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Wu, Kai; Low, Kam-Hung; Yang, Chen; Zhou, Cong-Ying; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(II) Porphyrin Quinoid Carbene Complexes: Synthesis, Crystal Structure, and Reactivity toward Carbene Transfer and Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2019","141","22","9027","9046","10.1021/jacs.9b03357","","","1.34138","GaKα","","0.133","0.1055","","","0.2264","0.2385","","","","","","1.113","","","","has coordinates,has disorder","220803","2020-10-21","18:00:00",""
"4127592","8.2926","0.0018","8.5989","0.0018","24.551","0.006","90","","90","","90","","1750.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0443","","","0.1064","0.1136","","","","","","1.036","","","","has coordinates","220804","2020-10-21","18:00:00",""
"4127593","15.231","0.0007","14.0585","0.0006","7.9797","0.0004","90","","100.429","0.002","90","","1680.43","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0491","0.0397","","","0.093","0.1","","","","","","1.034","","","","has coordinates","220805","2020-10-21","18:00:00",""
"4127594","11.9533","0.0004","11.9161","0.0004","12.8876","0.0004","90","","117.574","0.001","90","","1627.16","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0418","","","0.1042","0.1154","","","","","","1.032","","","","has coordinates","220806","2020-10-21","18:00:00",""
"4127595","22.2486","0.001","7.9023","0.0004","12.0937","0.0006","90","","90","","90","","2126.26","0.18","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0634","0.0484","","","0.1174","0.1268","","","","","","0.992","","","","has coordinates","220807","2020-10-21","18:00:00",""
"4127596","10.2926","0.0002","10.4476","0.0003","12.0917","0.0003","97.2017","0.0014","108.023","0.0013","106.001","0.0013","1156.56","0.05","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","dimethyl [2,2'-bifuran]-3,4'-dicarboxylate","","- C12 H10 O6 -","- C12 H10 O6 -","- C48 H40 O24 -","4","2","","Varni, Anthony J.; Fortney, Andria; Baker, Matthew A.; Worch, Joshua C.; Qiu, Yunyan; Yaron, David; Bernhard, Stefan; Noonan, Kevin J. T.; Kowalewski, Tomasz","Photostable Helical Polyfurans.","Journal of the American Chemical Society","2019","141","22","8858","8867","10.1021/jacs.9b01567","","","0.71073","MoKα","","0.0953","0.0631","","","0.1506","0.1862","","","","","","0.799","","","","has coordinates","220808","2020-10-21","18:00:00",""
"4127597","24.92","0.02","8.848","0.008","19.069","0.016","90","","137.02","0.03","90","","2866","5","293","2","293.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C26 H26.5 B0.5 F12 N0.5 O5.5 -","- C104 H106 B2 F48 N2 O22 -","4","1","","Wang, Xiang; Shyshov, Oleksandr; Hanževački, Marko; Jäger, Christof M; von Delius, Max","Ammonium Complexes of Orthoester Cryptands Are Inherently Dynamic and Adaptive.","Journal of the American Chemical Society","2019","141","22","8868","8876","10.1021/jacs.9b01350","","","0.71073","MoKα","","0.0617","0.0495","","","0.1168","0.1254","","","","","","1.045","","","","has coordinates,has disorder","220809","2020-10-21","18:00:00",""
"4127598","11.1875","0.0008","7.2452","0.0005","17.2577","0.0012","90","","90","","90","","1398.83","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cl2 Ga N2 -","- C13 H15 Cl2 Ga N2 -","- C52 H60 Cl8 Ga4 N8 -","4","0.5","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.0297","0.0231","","","0.0514","0.0535","","","","","","1.088","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127599","8.6289","0.0003","13.4611","0.0006","17.3748","0.0008","109.968","0.002","97.648","0.002","96.762","0.002","1850.89","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Cl2 Ga N2 -","- C17 H23 Cl2 Ga N2 -","- C68 H92 Cl8 Ga4 N8 -","4","2","","Wan, Wang; Silva, Mayura S.; McMillen, Colin D.; Creager, Stephen E.; Smith, Rhett C.","Highly Luminescent Heavier Main Group Analogues of Boron-Dipyrromethene.","Journal of the American Chemical Society","2019","141","22","8703","8707","10.1021/jacs.9b03235","","","0.71073","MoKα","","0.1145","0.0547","","","0.1306","0.1777","","","","","","1.031","","","","has coordinates,has disorder","220810","2020-10-21","18:00:00",""
"4127600","13.1436","0.0003","38.6728","0.0006","13.8852","0.0001","90","","101.61","0.002","90","","6913.4","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H105 Mg2 N6 -","- C75 H105 Mg2 N6 -","- C300 H420 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.1132","0.1038","","","0.2697","0.2771","","","","","","1.064","","","","has coordinates","220812","2020-10-21","18:00:00",""
"4127601","12.1084","0.0002","23.7535","0.0003","20.6189","0.0003","90","","105.161","0.002","90","","5723.94","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H86 Mg2 N6 -","- C61 H86 Mg2 N6 -","- C244 H344 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.049","0.0451","","","0.1169","0.1199","","","","","","1.04","","","","has coordinates","220813","2020-10-21","18:00:00",""
"4127602","11.3076","0.0002","12.1875","0.0003","14.7195","0.0003","80.021","0.002","79.085","0.002","78.468","0.002","1932.18","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 Mg N5 -","- C40 H56 Mg N5 -","- C80 H112 Mg2 N10 -","2","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.081","0.0751","","","0.2251","0.2324","","","","","","1.054","","","","has coordinates","220814","2020-10-21","18:00:00",""
"4127603","14.87","0.003","22.51","0.005","23.06","0.005","110.59","0.03","93.04","0.03","107.64","0.03","6775","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H194 Mg4 N12 O6 -","- C142 H194 Mg4 N12 O6 -","- C284 H388 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","0.7109","Synchrotron","","0.0715","0.0542","","","0.1363","0.1471","","","","","","1.034","","","","has coordinates,has disorder","220815","2020-10-21","18:00:00",""
"4127604","12.5299","0.0002","27.8387","0.0004","13.9241","0.0002","90","","107.969","0.002","90","","4620.05","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 Mg2 N6 -","- C49 H62 Mg2 N6 -","- C196 H248 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.0641","0.0539","","","0.1362","0.1427","","","","","","1.022","","","","has coordinates","220816","2020-10-21","18:00:00",""
"4127605","19.6232","0.0001","16.9557","0.0001","20.7704","0.0001","90","","106.957","0.001","90","","6610.38","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H100.2 Mg2 N6 O0.2 -","- C72 H100.2 Mg2 N6 O0.2 -","- C288 H400.8 Mg8 N24 O0.8 -","4","1","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.0473","0.0447","","","0.1179","0.1197","","","","","","1.03","","","","has coordinates","220817","2020-10-21","18:00:00",""
"4127606","14.2869","0.0002","15.1785","0.0002","20.5089","0.0002","70.69","0.001","74.999","0.001","66.558","0.001","3808.97","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H216 Mg4 N12 O6 -","- C164 H216 Mg4 N12 O6 -","- C164 H216 Mg4 N12 O6 -","1","0.5","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","1.54184","CuKα","","0.041","0.0393","","","0.1039","0.1051","","","","","","1.03","","","","has coordinates","220818","2020-10-21","18:00:00",""
"4127607","12.7134","0.0009","12.8099","0.001","33.101","0.003","86.539","0.002","79.62","0.002","72.556","0.002","5058.5","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H70 Mg2 N6 -","- C53 H70 Mg2 N6 -","- C212 H280 Mg8 N24 -","4","2","","Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron","Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.","Journal of the American Chemical Society","2019","141","22","8764","8768","10.1021/jacs.9b04085","","","0.71073","MoKα","","0.198","0.0741","","","0.1133","0.146","","","","","","1.001","","","","has coordinates","220819","2020-10-21","18:00:00",""
"4127608","9.6512","0.0004","13.5252","0.0004","17.6863","0.0006","90","","100.782","0.004","90","","2267.91","0.14","179.98","0.1","179.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Cl2 N4 Sc2 -","- C42 H76 Cl2 N4 Sc2 -","- C84 H152 Cl4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0392","0.0335","","","0.0844","0.0885","","","","","","1.105","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127609","10.0734","0.0002","10.7038","0.0003","11.7518","0.0003","106.529","0.002","109.932","0.002","94.521","0.002","1120.05","0.05","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H76 N6 Sc2 -","- C42 H76 N6 Sc2 -","- C42 H76 N6 Sc2 -","1","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0277","0.0265","","","0.0729","0.0738","","","","","","1.075","","","","has coordinates","220820","2020-10-21","18:00:00",""
"4127610","14.6301","0.0003","16.8287","0.0005","18.4005","0.0005","113.865","0.003","95.582","0.002","102.815","0.002","3949.9","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 K N8 O6 Sc2 -","- C60 H112 K N8 O6 Sc2 -","- C120 H224 K2 N16 O12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0423","0.0356","","","0.0973","0.1018","","","","","","1.026","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127611","11.5267","0.0002","13.7143","0.0003","14.9888","0.0003","77.391","0.002","89.362","0.002","89.452","0.002","2312.09","0.08","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H82 N6 Sc2 -","- C44 H82 N6 Sc2 -","- C88 H164 N12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0381","0.0317","","","0.0872","0.0909","","","","","","1.048","","","","has coordinates","220820","2020-10-21","18:00:00",""
"4127612","9.6058","0.0002","13.9131","0.0002","17.8895","0.0003","90","","101.269","0.002","90","","2344.77","0.07","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 I2 N4 Sc2 -","- C42 H76 I2 N4 Sc2 -","- C84 H152 I4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0272","0.025","","","0.0666","0.0686","","","","","","1.075","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127613","9.6328","0.0003","13.6495","0.0004","17.778","0.0005","90","","100.739","0.003","90","","2296.56","0.12","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Br2 N4 Sc2 -","- C42 H76 Br2 N4 Sc2 -","- C84 H152 Br4 N8 Sc4 -","2","0.5","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0345","0.0304","","","0.0863","0.0888","","","","","","1.053","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127614","10.3715","0.0002","32.6101","0.0007","14.2088","0.0003","90","","98.785","0.002","90","","4749.26","0.17","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H82 N6 O Sc2 -","- C45 H82 N6 O Sc2 -","- C180 H328 N24 O4 Sc8 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Zhang, Wen-Xiong; Xi, Zhenfeng","Scandium-Promoted Direct Conversion of Dinitrogen into Hydrazine Derivatives via N-C Bond Formation.","Journal of the American Chemical Society","2019","141","22","8773","8777","10.1021/jacs.9b04293","","x-ray","0.71073","MoKα","","0.0749","0.0613","","","0.1412","0.1486","","","","","","1.056","","","","has coordinates,has disorder","220820","2020-10-21","18:00:00",""
"4127615","15.9736","0.0003","5.3198","0.0001","20.0252","0.0004","90","","96.278","0.002","90","","1691.46","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 S Se -","- C20 H16 O2 S Se -","- C80 H64 O8 S4 Se4 -","4","1","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.0303","0.0259","","","0.0593","0.0613","","","","","","1.029","","","","has coordinates,has disorder","220821","2020-10-21","18:00:00",""
"4127616","11.1215","0.0002","14.9694","0.0002","28.8591","0.0004","90","","90","","90","","4804.53","0.13","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C224 H160 O32 S16 -","16","2","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.033","0.0293","","","0.0795","0.082","","","","","","1.011","","","","has coordinates","220822","2020-10-21","18:00:00",""
"4127617","6.067","0.0003","13.3231","0.0007","51.133","0.003","90","","90","","90","","4133.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YJT_boariol_422","","","- C15 H26 O3 -","- C15 H26 O3 -","- C180 H312 O36 -","12","3","","Hu, Xirui; Musacchio, Andrew J.; Shen, Xingyu; Tao, Yujia; Maimone, Thomas J.","Allylative Approaches to the Synthesis of Complex Guaianolide Sesquiterpenes from Apiaceae and Asteraceae.","Journal of the American Chemical Society","2019","141","37","14904","14915","10.1021/jacs.9b08001","","","1.54178","CuKα","","0.1198","0.1102","","","0.2872","0.2935","","","","","","1.069","","","","has coordinates","220823","2020-10-21","18:00:00",""
"4127618","10.2586","0.0007","18.0776","0.0011","12.3309","0.0009","90","","101.266","0.003","90","","2242.7","0.3","100","","100.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl4 F Ir N O3 -","- C21 H23 Cl4 F Ir N O3 -","- C84 H92 Cl16 F4 Ir4 N4 O12 -","4","1","","Sorlin, Alexandre M.; Mixdorf, Jason C.; Rotella, Madeline E.; Martin, Robert T.; Gutierrez, Osvaldo; Nguyen, Hien M.","The Role of Trichloroacetimidate To Enable Iridium-Catalyzed Regio- and Enantioselective Allylic Fluorination: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2019","141","37","14843","14852","10.1021/jacs.9b07575","","","0.71073","MoKα","","0.0353","0.0235","","","0.0387","0.0409","","","","","","1.056","","","","has coordinates","220824","2020-10-21","18:00:00",""
"4127619","15.7232","0.0004","16.4364","0.0004","15.5875","0.0004","90","","99.011","0.001","90","","3978.6","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H104 N12 O16 Pd4 -","- C67 H104 N12 O16 Pd4 -","- C134 H208 N24 O32 Pd8 -","2","0.25","","Le, Ky Khac Anh; Nguyen, Hanh; Daugulis, Olafs","1-Aminopyridinium Ylides as Monodentate Directing Groups for sp<sup>3</sup> C-H Bond Functionalization.","Journal of the American Chemical Society","2019","141","37","14728","14735","10.1021/jacs.9b06643","","","1.54178","CuKα","","0.027","0.0261","","","0.0755","0.0767","","","","","","1.075","","","","has coordinates,has disorder","220825","2020-10-21","18:00:00",""
"4127620","15.2506","0.0017","12.5209","0.001","16.3061","0.0014","90","","105.075","0.01","90","","3006.5","0.5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H69 F6 N7 O10 -","- C58 H69 F6 N7 O10 -","- C116 H138 F12 N14 O20 -","2","1","","Morimoto, Jumpei; Fukuda, Yasuhiro; Kuroda, Daisuke; Watanabe, Takumu; Yoshida, Fumihiko; Asada, Mizue; Nakamura, Toshikazu; Senoo, Akinobu; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke","A Peptoid with Extended Shape in Water.","Journal of the American Chemical Society","2019","141","37","14612","14623","10.1021/jacs.9b04371","","","0.71073","MoKα","","0.2153","0.0961","","","0.1938","0.2476","","","","","","0.996","","","","has coordinates","220826","2020-10-21","18:00:00",""
"4127621","20.3578","0.0007","15.3176","0.0005","19.7253","0.0006","90","","98.675","0.001","90","","6080.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H73 B4 F3 N4 O7 S -","- C61 H73 B4 F3 N4 O7 S -","- C244 H292 B16 F12 N16 O28 S4 -","4","0.5","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.1095","0.1022","","","0.2562","0.2609","","","","","","1.101","","","","has coordinates,has disorder","220827","2020-10-21","18:00:00",""
"4127622","19.5024","0.0006","11.4232","0.0003","23.203","0.0007","90","","110.981","0.001","90","","4826.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B3 N4 O2 -","- C54 H69 B3 N4 O2 -","- C216 H276 B12 N16 O8 -","4","1","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.0536","0.0403","","","0.0962","0.1063","","","","","","1.042","","","","has coordinates","220828","2020-10-21","18:00:00",""
"4127623","10.3336","0.0004","12.7293","0.0005","13.7552","0.0006","100.879","0.002","108.559","0.002","113.05","0.001","1472.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 B4 N4 O4 -","- C66 H80 B4 N4 O4 -","- C66 H80 B4 N4 O4 -","1","0.5","","Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger","Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.","Journal of the American Chemical Society","2019","141","37","14898","14903","10.1021/jacs.9b07991","","","0.71073","MoKα","","0.0523","0.0419","","","0.0935","0.1003","","","","","","1.042","","","","has coordinates","220829","2020-10-21","18:00:00",""
"4127624","14.771","0.0001","15.4918","0.0002","15.641","0.0002","61.452","0.001","68.229","0.001","67.388","0.001","2823.93","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H80 Ag12 F18 N8 O12 S6 -","- C76 H80 Ag12 F18 N8 O12 S6 -","- C76 H80 Ag12 F18 N8 O12 S6 -","1","0.5","","Cao, Man; Pang, Rui; Wang, Qian-You; Han, Zhen; Wang, Zhao-Yang; Dong, Xi-Yan; Li, Shun-Fang; Zang, Shuang-Quan; Mak, Thomas C. W.","Porphyrinic Silver Cluster Assembled Material for Simultaneous Capture and Photocatalysis of Mustard-Gas Simulant.","Journal of the American Chemical Society","2019","141","37","14505","14509","10.1021/jacs.9b05952","","x-ray","1.54184","CuKα","","0.0395","0.0384","","","0.1016","0.1026","","","","","","1.057","","","","has coordinates,has disorder","220830","2020-10-21","18:00:00",""
"4127625","26.742","0.003","26.742","0.003","16.8667","0.0019","90","","90","","120","","10446","2","153","2","153","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C33 H15 Cl Fe3 N3 O19 -","- C33 H15 Cl Fe3 N3 O19 -","- C198 H90 Cl6 Fe18 N18 O114 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.2083","0.1338","","","0.3681","0.4121","","","","","","1.105","","","","has coordinates,has disorder","220831","2020-10-21","18:00:00",""
"4127626","27.121","0.008","27.121","0.008","17.508","0.006","90","","90","","120","","11153","6","153","2","153","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H15 N3 O20 Sc3 -","- C35 H16 N3 O20 Sc3 -","- C210 H96 N18 O120 Sc18 -","6","0.5","","Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2019","141","37","14539","14543","10.1021/jacs.9b07422","","","0.71073","MoKα","","0.1909","0.1623","","","0.4097","0.4305","","","","","","1.373","","","","has coordinates","220832","2020-10-21","18:00:00",""
"4127627","13.4604","0.0014","11.9775","0.0012","10.635","0.0011","90","","90","","90","","1714.6","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Chen, Ming; Dong, Guangbin","Copper-Catalyzed Desaturation of Lactones, Lactams, and Ketones under pH-Neutral Conditions.","Journal of the American Chemical Society","2019","141","37","14889","14897","10.1021/jacs.9b07932","","","0.71073","MoKα","","0.058","0.0388","","","0.0706","0.0772","","","","","","1.021","","","","has coordinates","220833","2020-10-21","18:00:00",""
"4127628","5.7511","0.0012","7.4747","0.0015","32.771","0.007","90","","90","","90","","1408.8","0.5","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Zhang, Qinglong; Yu, Huimin; Shen, Lulu; Tang, Tianhua; Dong, Dongfang; Chai, Weiwei; Zi, Weiwei","Stereodivergent Coupling of 1,3-Dienes with Aldimine Esters Enabled by Synergistic Pd and Cu Catalysis.","Journal of the American Chemical Society","2019","141","37","14554","14559","10.1021/jacs.9b07600","","","0.71073","MoKα","","0.0525","0.0453","","","0.0975","0.1022","","","","","","1.039","","","","has coordinates","220834","2020-10-21","18:00:00",""
"4127629","10.04","0.003","15.297","0.004","16.237","0.005","105.151","0.005","98.504","0.006","96.468","0.005","2350.5","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N2 O -","- C33 H22 N2 O -","- C132 H88 N8 O4 -","4","2","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","0.71073","MoKα","","0.1695","0.0679","","","0.1661","0.2225","","","","","","0.951","","","","has coordinates","220835","2020-10-21","18:00:00",""
"4127630","9.587","0.002","15.465","0.003","17.164","0.004","90","","102.394","0.004","90","","2485.5","0.9","140","2","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","0.71073","MoKα","","0.158","0.0605","","","0.1102","0.1341","","","","","","0.867","","","","has coordinates","220836","2020-10-21","18:00:00",""
"4127631","10.2435","0.0006","20.2635","0.0012","21.1965","0.0011","107.827","0.005","90.675","0.005","97.043","0.005","4151.2","0.4","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H110 N10 O8 -","- C96 H110 N10 O8 -","- C192 H220 N20 O16 -","2","1","","Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.","Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.","Journal of the American Chemical Society","2019","141","37","14798","14806","10.1021/jacs.9b07170","","","1.54184","CuKα","","0.1822","0.098","","","0.2445","0.3215","","","","","","1.026","","","","has coordinates,has disorder","220837","2020-10-21","18:00:00",""
"4127632","17.561","0.002","18.084","0.002","29.865","0.003","90","","90","","90","","9484.3","1.8","170","2","170.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H124 Cl N2 Pd -","- C90 H124 Cl N2 Pd -","- C360 H496 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.1665","0.12","","","0.3163","0.3483","","","","","","1.102","","","","has coordinates","220838","2020-10-21","18:00:00",""
"4127633","12.4332","0.0004","19.3921","0.0006","19.9589","0.0006","90","","90","","90","","4812.2","0.3","170","2","169.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 Cl N2 Pd -","- C58 H59 Cl N2 Pd -","- C232 H236 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0942","0.0599","","","0.1162","0.133","","","","","","1.034","","","","has coordinates","220839","2020-10-21","18:00:00",""
"4127634","7.5968","0.0002","8.4886","0.0002","27.1575","0.0005","90","","90","","90","","1751.28","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0269","0.0264","","","0.0703","0.0707","","","","","","1.065","","","","has coordinates","220840","2020-10-21","18:00:00",""
"4127635","10.48643","0.00015","7.50634","0.00011","12.56284","0.00019","90","","91.0457","0.0013","90","","988.72","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N -","- C23 H24 Cl N -","- C46 H48 Cl2 N2 -","2","1","","Tran, Gaël; Shao, Wen; Mazet, Clément","Ni-Catalyzed Enantioselective Intermolecular Hydroamination of Branched 1,3-Dienes Using Primary Aliphatic Amines.","Journal of the American Chemical Society","2019","141","37","14814","14822","10.1021/jacs.9b07253","","x-ray","1.54184","CuKα","","0.0298","0.0278","","","0.0705","0.0718","","","","","","1.033","","","","has coordinates","220841","2020-10-21","18:00:00",""
"4127636","12.405","","19.6581","","23.3427","","80.297","","82.671","","71.668","","5309.2","","296","","296","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H70.5 I21 N9 Pb6 -","- C114 H141 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.1073","0.0859","","","0.1996","0.2164","","","","","","1.054","","","","has coordinates","220842","2020-10-21","18:00:00",""
"4127637","12.3924","0.0002","19.654","0.0004","23.3396","0.0006","80.405","0.002","82.793","0.002","71.672","0.0018","5304.5","0.2","103","","103","","","","","","","","","5","P 1","P 1","1","","","","- C57 H102 I21 N9 Pb6 -","- C57 H80 I21 N9 Pb6 -","- C114 H160 I42 N18 Pb12 -","2","2","","Huang, Po-Jung; Taniguchi, Kouji; Miyasaka, Hitoshi","Bulk Photovoltaic Effect in a Pair of Chiral-Polar Layered Perovskite-Type Lead Iodides Altered by Chirality of Organic Cations.","Journal of the American Chemical Society","2019","141","37","14520","14523","10.1021/jacs.9b06815","","","0.71073","MoKα","","0.097","0.0911","","","0.2369","0.2424","","","","","","1.078","","","","has coordinates","220843","2020-10-21","18:00:00",""
"4127638","10.7278","0.0006","6.6803","0.0004","14.4312","0.0009","90","","107.039","0.003","90","","988.81","0.1","170","2","170.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl N2 O2 -","- C22 H21 Cl N2 O2 -","- C44 H42 Cl2 N4 O4 -","2","1","","Wang, Tian-Ci; Fan, Lian-Feng; Shen, Yang; Wang, Pu-Sheng; Gong, Liu-Zhu","Asymmetric Allylic C-H Alkylation of Allyl Ethers with 2-Acylimidazoles.","Journal of the American Chemical Society","2019","141","27","10616","10620","10.1021/jacs.9b05247","","","1.34139","GaKα","","0.0518","0.0478","","","0.1407","0.1465","","","","","","1.112","","","","has coordinates,has disorder","220844","2020-10-21","18:00:00",""
"4127639","20.2004","0.0007","13.0402","0.0004","27.5306","0.0008","90","","105.534","0.003","90","","6987.1","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H78 Cl4 N2 Ru2 -","- C76 H78 Cl4 N2 Ru2 -","- C304 H312 Cl16 N8 Ru8 -","4","1","","Nascimento, Daniel L.; Gawin, Anna; Gawin, Rafał; Guńka, Piotr A; Zachara, Janusz; Skowerski, Krzysztof; Fogg, Deryn E.","Integrating Activity with Accessibility in Olefin Metathesis: An Unprecedentedly Reactive Ruthenium-Indenylidene Catalyst.","Journal of the American Chemical Society","2019","141","27","10626","10631","10.1021/jacs.9b05362","","x-ray","0.71073","MoKα","","0.1068","0.0502","","","0.0875","0.1055","","","","","","0.962","","","","has coordinates,has disorder","220845","2020-10-21","18:00:00",""
"4127640","19.201","0.0017","8.8414","0.0005","37.707","0.003","90","","119.351","0.009","90","","5579.6","0.9","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H106 I25 N11 Pb7 -","- C31 H106 I25 N11 Pb7 -","- C62 H212 I50 N22 Pb14 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.4073","0.0361","","","0.0817","0.2329","","","","0.99","0.99","0.32","","","","has coordinates","220846","2020-10-21","18:00:00",""
"4127641","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 O Pb9 -","- C33.64 H132 I32 N9.98 O3.03 Pb9 -","- C67.28 H264 I64 N19.96 O6.06 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.176","0.0894","","","0.1591","0.1736","","","","3.38","3.38","2.47","","","","has coordinates","220847","2020-10-21","18:00:00",""
"4127642","62.405","0.005","8.9358","0.0007","8.8712","0.0006","90","","92.947","0.006","90","","4940.4","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H38 I13 N5 Pb4 -","- C9 H38 I13 N5 Pb4 -","- C36 H152 I52 N20 Pb16 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.2447","0.1161","","","0.2277","0.246","","","","4.44","4.44","2.62","","","","has coordinates","220848","2020-10-21","18:00:00",""
"4127643","19.201","0.0017","8.8414","0.0005","37.707","0.003","90","","119.351","0.009","90","","5579.6","0.9","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H108 I25 N11 O Pb7 -","- C31 H106 I25 N11 O0.38 Pb7 -","- C62 H212 I50 N22 O0.76 Pb14 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.3456","0.0353","","","0.0783","0.2167","","","","0.96","0.96","0.3","","","","has coordinates","220849","2020-10-21","18:00:00",""
"4127644","24.1035","0.0005","8.798","0.0002","38.1538","0.0008","90","","94.4517","0.0012","90","","8066.6","0.3","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H80 I18 N8 Pb5 -","- C24 H79 I18 N8 Pb5 -","- C96 H316 I72 N32 Pb20 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.054","0.0415","","","0.1092","0.1145","","","","3.1","3.1","2.92","","","","has coordinates","220850","2020-10-21","18:00:00",""
"4127645","24.1035","0.0005","8.798","0.0002","38.1538","0.0008","90","","94.4517","0.0012","90","","8066.6","0.3","293","","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H82 I18 N8 O Pb5 -","- C24 H79 I18 N8 O0.5 Pb5 -","- C96 H316 I72 N32 O2 Pb20 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","220851","2020-10-21","18:00:00",""
"4127646","45.276","0.002","8.8555","0.0003","19.1635","0.001","90","","113.372","0.004","90","","7053","0.6","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H100 I32 N14 Pb9 -","- C38 H132 I32 N14 Pb9 -","- C76 H264 I64 N28 Pb18 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.194","0.1077","","","0.1973","0.2113","","","","4.18","4.18","3","","","","has coordinates","220852","2020-10-21","18:00:00",""
"4127647","8.85","0.004","8.9262","0.0008","25.07","0.001","90","","96.474","0.011","90","","1967.8","0.9","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H32 I10 N4 Pb3 -","- C8 H32 I10 N4 Pb3 -","- C16 H64 I20 N8 Pb6 -","2","0.5","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.1256","0.0863","","","0.1802","0.182","","","","4.04","4.04","3.23","","","","has coordinates","220853","2020-10-21","18:00:00",""
"4127648","8.7915","0.0001","15.3917","0.0003","22.3423","0.0004","90","","90","","90","","3023.27","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.0401","0.0268","","","0.0546","0.0585","","","","1.19","1.19","1.13","","","","has coordinates","220854","2020-10-21","18:00:00",""
"4127649","10.6867","0.0004","6.8041","0.0003","28.1524","0.0011","90","","90.724","0.001","90","","2046.89","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 B Br N O3 -","- C20 H29 B Br N O3 -","- C80 H116 B4 Br4 N4 O12 -","4","2","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","1.54178","CuKα","","0.0413","0.0412","","","0.104","0.1041","","","","","","1.091","","","","has coordinates","220855","2020-10-21","18:00:00",""
"4127650","8.9019","0.0017","17.903","0.003","18.664","0.003","90","","90","","90","","2974.5","0.9","150","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B N3 O Si -","- C34 H34 B N3 O Si -","- C136 H136 B4 N12 O4 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","0.71073","MoKα","","0.0945","0.0568","","","0.1136","0.1276","","","","","","1.033","","","","has coordinates","220856","2020-10-21","18:00:00",""
"4127651","10.9883","0.0008","12.4073","0.0009","12.6777","0.001","108.158","0.002","99.978","0.003","105.441","0.003","1519.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C34 H33 F6 Mo N O2 -","- C34 H33 F6 Mo N O2 -","- C68 H66 F12 Mo2 N2 O4 -","2","1","","Ferreira, Marco A. B.; De Jesus Silva, Jordan; Grosslight, Samantha; Fedorov, Alexey; Sigman, Matthew S.; Copéret, Christophe","Noncovalent Interactions Drive the Efficiency of Molybdenum Imido Alkylidene Catalysts for Olefin Metathesis.","Journal of the American Chemical Society","2019","141","27","10788","10800","10.1021/jacs.9b04367","","x-ray","0.71073","MoKα","","0.0804","0.0698","","","0.2034","0.2108","","","","","","1.104","","","","has coordinates","220857","2020-10-21","18:00:00",""
"4127652","22.059","0.005","8.4388","0.0018","29.485","0.007","90","","106.994","0.015","90","","5249","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","kea020hydride","kea020hydride","","- C23 H33 B F4 Ir N2 O5 -","- C23 H33 B F4 Ir N2 O5 -","- C184 H264 B8 F32 Ir8 N16 O40 -","8","1","","Wright, Ashley M.; Pahls, Dale R.; Gary, J. Brannon; Warner, Theresa; Williams, Jacob Z.; M Knapp, Spring Melody; Allen, Kate E.; Landis, Clark R.; Cundari, Thomas R.; Goldberg, Karen I.","Experimental and Computational Investigation of the Aerobic Oxidation of a Late Transition Metal-Hydride.","Journal of the American Chemical Society","2019","141","27","10830","10843","10.1021/jacs.9b04706","","","0.71073","MoKα","","0.1082","0.0522","","","0.0807","0.0948","","","","","","1.025","","","","has coordinates","220858","2020-10-21","18:00:00",""
"4127653","9.4238","0.0004","9.9348","0.0004","11.8329","0.0005","94.067","0.003","97.043","0.003","98.806","0.003","1081.97","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl3 S4 Sn W3 -","- C15 H15 Cl3 S4 Sn W3 -","- C30 H30 Cl6 S8 Sn2 W6 -","2","1","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0644","0.0425","","","0.0979","0.102","","","","","","0.833","","","","has coordinates","220859","2020-10-21","18:00:00",""
"4127654","12.7792","0.0001","12.7792","0.0001","32.6497","0.0004","90","","90","","120","","4617.61","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl0 S10 Sn4 W3 -","- C33 H30 S10 Sn4 W3 -","- C132 H120 S40 Sn16 W12 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0604","0.0592","","","0.1578","0.1591","","","","","","1.066","","","","has coordinates","220860","2020-10-21","18:00:00",""
"4127655","12.9068","0.0001","12.9068","0.0001","32.3654","0.0004","90","","90","","120","","4669.27","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C33 H30 Cl Mo3 S9 Sn4 -","- C33 H30 Mo3 S10 Sn4 -","- C132 H120 Mo12 S40 Sn16 -","4","0.333333","","Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie","[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.","Journal of the American Chemical Society","2019","141","41","16494","16500","10.1021/jacs.9b09209","","","1.54178","CuKα","","0.0479","0.04","","","0.1059","0.1103","","","","","","1.005","","","","has coordinates","220861","2020-10-21","18:00:00",""
"4127656","7.8009","0.0007","41.745","0.003","14.4534","0.0012","90","","91.338","0.006","90","","4705.4","0.7","170","2","170.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 F6 O6 Ru S2 -","- C43 H36 F6 O6 Ru S2 -","- C172 H144 F24 O24 Ru4 S8 -","4","1","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.1684","0.1218","","","0.261","0.2863","","","","","","0.91","","","","has coordinates","220862","2020-10-21","18:00:00",""
"4127657","16.4023","0.0004","22.4936","0.0006","24.455","0.0006","90","","90","","90","","9022.6","0.4","170","2","170.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C71 H72 F18 O18 Ru3 S6 -","- C71 H72 F18 O18 Ru3 S6 -","- C284 H288 F72 O72 Ru12 S24 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0729","0.0662","","","0.1924","0.1994","","","","","","1.032","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127658","15.4626","0.0003","22.4905","0.0004","24.0086","0.0004","90","","90","","90","","8349.3","0.3","170","2","170.01","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C69 H72 B2 F20 O12 Ru3 S4 -","- C69 H72 B2 F20 O12 Ru3 S4 -","- C276 H288 B8 F80 O48 Ru12 S16 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0823","0.0733","","","0.2135","0.2223","","","","","","1.047","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127659","16.3814","0.0004","22.5055","0.0005","23.9817","0.0006","90","","90","","90","","8841.4","0.4","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C66 H69 F6 O22 Re4 Ru3 S2 -","- C264 H276 F24 O88 Re16 Ru12 S8 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.125","0.1162","","","0.2779","0.2843","","","","","","1.209","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127660","18.278","0.0014","20.6817","0.0018","22.704","0.002","89.892","0.005","76","0.005","86.719","0.005","8313.3","1.2","160","2","160.62","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H72 N6 O18 Ru3 -","- C65 H72 N6 O18 Ru3 -","- C260 H288 N24 O72 Ru12 -","4","2","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.2437","0.1376","","","0.3663","0.4491","","","","","","1.112","","","","has coordinates","220862","2020-10-21","18:00:00",""
"4127661","16.2763","0.0006","22.5468","0.0007","24.1052","0.0008","90","","90","","90","","8846.1","0.5","170","2","169.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C70.5 H72 Cl0.5 F16.5 O18.5 Ru3 S5.5 -","- C282 H288 Cl2 F66 O74 Ru12 S22 -","4","0.5","","Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe","π-Metalated [1<sub>5</sub>]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.","Journal of the American Chemical Society","2019","141","41","16501","16511","10.1021/jacs.9b09582","","","1.34139","GaKα","","0.0709","0.0648","","","0.1961","0.2037","","","","","","1.027","","","","has coordinates,has disorder","220862","2020-10-21","18:00:00",""
"4127662","31.6033","0.0008","15.2402","0.0002","32.1689","0.0007","90","","115.041","0.003","90","","14037.5","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H74 Cl3 F18 N6 O Sb3 -","- C69 H74 Cl3 F18 N6 O Sb3 -","- C552 H592 Cl24 F144 N48 O8 Sb24 -","8","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.1054","0.0647","","","0.1329","0.1505","","","","","","1.024","","","","has coordinates,has disorder","220863","2020-10-21","18:00:00",""
"4127663","13.0245","0.0003","15.0943","0.0003","29.3272","0.0006","90","","90","","90","","5765.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H73 F6 N6 O Sb -","- C68 H73 F6 N6 O Sb -","- C272 H292 F24 N24 O4 Sb4 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.0597","0.0476","","","0.0934","0.0981","","","","","","1.037","","","","has coordinates,has disorder","220864","2020-10-21","18:00:00",""
"4127664","8.6148","0.0002","14.8424","0.0004","10.8526","0.0003","90","","95.383","0.001","90","","1381.54","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Deng, Lin; Fu, Yue; Lee, Siu Yin; Wang, Chengpeng; Liu, Peng; Dong, Guangbin","Kinetic Resolution via Rh-Catalyzed C-C Activation of Cyclobutanones at Room Temperature.","Journal of the American Chemical Society","2019","141","41","16260","16265","10.1021/jacs.9b09344","","","1.54178","CuKα","","0.0339","0.0319","","","0.0786","0.0798","","","","","","1.047","","","","has coordinates","220865","2020-10-21","18:00:00",""
"4127665","10.5327","0.0001","12.8053","0.0001","22.0965","0.0002","90","","90","","90","","2980.25","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 O7 Si2 -","- C25 H48 O7 Si2 -","- C100 H192 O28 Si8 -","4","1","","Ji, Yang; Xin, Zhengyuan; He, Haibing; Gao, Shuanhu","Total Synthesis of Viridin and Viridiol.","Journal of the American Chemical Society","2019","141","41","16208","16212","10.1021/jacs.9b08577","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0736","0.0738","","","","","","1.04","","","","has coordinates","220866","2020-10-21","18:00:00",""
"4127666","8.963","0.005","12.759","0.007","17.763","0.01","91.17","0.007","95.778","0.006","99.491","0.01","1992","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","2","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","0.71073","MoKα","","0.1555","0.0897","","","0.2049","0.2396","","","","","","1.114","","","","has coordinates","220867","2020-10-21","18:00:00",""
"4127667","7.934","0.009","8.791","0.011","15.84","0.02","83.41","0.06","85.5","0.07","64.24","0.04","988","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N2 O6 S -","- C22 H18 N2 O6 S -","- C44 H36 N4 O12 S2 -","2","1","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","0.71073","MoKα","","0.2163","0.1051","","","0.2036","0.2649","","","","","","1.031","","","","has coordinates","220867","2020-10-21","18:00:00",""
"4127668","7.4153","0.0005","9.9309","0.0006","12.3718","0.0007","92.686","0.005","96.211","0.005","90.945","0.005","904.51","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O5 S2 -","- C19 H18 N2 O5 S2 -","- C38 H36 N4 O10 S4 -","2","1","","Zou, Hanxun; Hai, Yu; Ye, Hebo; You, Lei","Dynamic Covalent Switches and Communicating Networks for Tunable Multicolor Luminescent Systems and Vapor-Responsive Materials.","Journal of the American Chemical Society","2019","141","41","16344","16353","10.1021/jacs.9b07175","","","1.54178","CuKα","","0.0463","0.0393","","","0.0929","0.0972","","","","","","1","","","","has coordinates,has disorder","220867","2020-10-21","18:00:00",""
"4127669","6.082","0.004","8.299","0.007","20.852","0.015","90","","97.49","0.02","90","","1043.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N4 O5 -","- C25 H20 N4 O5 -","- C50 H40 N8 O10 -","2","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","x-ray","0.71073","MoKα","","0.04","0.0346","","","0.0824","0.0842","","","","","","1.046","","","","has coordinates","220868","2020-10-21","18:00:00",""
"4127670","6.2521","0.0015","7.8349","0.0019","24.818","0.006","90","","93.763","0.003","90","","1213.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F N3 O5 -","- C13 H8 F N3 O5 -","- C52 H32 F4 N12 O20 -","4","1","","Thanzeel, F. Yushra; Sripada, Archita; Wolf, Christian","Quantitative Chiroptical Sensing of Free Amino Acids, Biothiols, Amines, and Amino Alcohols with an Aryl Fluoride Probe.","Journal of the American Chemical Society","2019","141","41","16382","16387","10.1021/jacs.9b07588","","","0.71073","MoKα","","0.0332","0.032","","","0.0876","0.0888","","","","","","1.032","","","","has coordinates","220869","2020-10-21","18:00:00",""
"4127671","7.7036","0.0001","6.1633","0.0001","15.5653","0.0002","90","","90.67","0.001","90","","738.984","0.018","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3aR,9bS)-9-Methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0531","0.0527","","","0.1368","0.1375","","","","","","1.109","","","","has coordinates","220870","2020-10-21","18:00:00",""
"4127672","36.2576","0.0004","14.34286","0.00013","34.8216","0.0004","90","","108.398","0.0011","90","","17183","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C143 H130 I12 N24 O10 Zn6 -","- C143 H130 I12 N24 O10 Zn6 -","- C572 H520 I48 N96 O40 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.075","0.0733","","","0.2075","0.2096","","","","","","1.083","","","","has coordinates,has disorder","220871","2020-10-21","18:00:00",""
"4127673","5.0322","0.0001","13.0715","0.0002","16.2633","0.0002","90","","90","","90","","1069.77","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-3-methyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0852","0.0861","","","","","","1.096","","","","has coordinates","220872","2020-10-21","18:00:00",""
"4127674","5.662","0.008","11.423","0.015","11.586","0.016","90","","101.932","0.019","90","","733.2","1.7","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C36 H30 Cl2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0505","","","","0.1213","","","","","","1.01","","","","has coordinates","220873","2020-10-21","18:00:00",""
"4127675","36.27","0.0003","14.5028","0.0001","34.6393","0.0003","90","","109.143","0.001","90","","17213.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C104 H84 I12 N24 O4 Zn6 -","- C104 H84 I12 N24 O4 Zn6 -","- C416 H336 I48 N96 O16 Zn24 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","1.54184","CuKα","","0.0836","0.0798","","","0.2224","0.2317","","","","","","1.042","","","","has coordinates,has disorder","220874","2020-10-21","18:00:00",""
"4127676","7.7957","0.0001","13.9632","0.0002","9.8653","0.0002","90","","106.276","0.002","90","","1030.83","0.03","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,9bS)-1-methyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.114","0.1159","","","","","","1.025","","","","has coordinates","220875","2020-10-21","18:00:00",""
"4127677","6.74007","0.00004","24.03214","0.00017","8.74986","0.00006","90","","91.2367","0.0006","90","","1416.96","0.016","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,3aS,9bR)-8-chloro-3-phenyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C18 H15 Cl O2 -","- C18 H15 Cl O2 -","- C72 H60 Cl4 O8 -","4","2","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0272","0.0264","","","0.0694","0.0702","","","","","","1.036","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127678","8.342","0.003","8.299","0.003","10.721","0.004","90","","101.619","0.004","90","","727","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","0.0393","0.0386","","","0.0958","0.0963","","","","","","1","","","","has coordinates","220877","2020-10-21","18:00:00",""
"4127679","4.9886","0.0001","7.7361","0.0001","26.4469","0.0004","90","","90","","90","","1020.65","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aS,9bR)-8-chloro-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0335","0.0322","","","0.102","0.1057","","","","","","0.94","","","","has coordinates","220878","2020-10-21","18:00:00",""
"4127680","5.0178","0.0015","12.447","0.004","16.893","0.005","90","","90","","90","","1055.1","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0462","","","","0.1044","","","","","","1","","","","has coordinates","220879","2020-10-21","18:00:00",""
"4127681","9.834","0.0002","5.8505","0.0001","12.9552","0.0002","90","","102.401","0.002","90","","727.97","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,9bR)-8-methoxy-1-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-b]furan-2(1H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0409","0.0396","","","0.106","0.1082","","","","","","1.063","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127682","9.4855","0.0013","13.9062","0.0019","24.919","0.003","90","","90","","90","","3287","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 N O4 -","- C43 H37 N O4 -","- C172 H148 N4 O16 -","4","1","","Wu, Mingyue; Han, Zhaobin; Li, Kaizhi; Wu, Ji'en; Ding, Kuiling; Lu, Yixin","Cyclohexyl-Fused, Spirobiindane-Derived, Phosphine-Catalyzed Synthesis of Tricyclic γ-Lactams and Kinetic Resolution of γ-Substituted Allenoates.","Journal of the American Chemical Society","2019","141","41","16362","16373","10.1021/jacs.9b07418","","","1.54178","CuKα","","0.0253","0.0252","","","0.0625","0.0626","","","","","","1.037","","","","has coordinates","220881","2020-10-21","18:00:00",""
"4127683","14.3292","0.0005","11.8411","0.0005","16.1689","0.0006","90","","91.429","0.003","90","","2742.58","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N2 O2 P2 Ru -","- C25 H44 N2 O2 P2 Ru -","- C100 H176 N8 O8 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0331","0.0244","","","0.0528","0.055","","","","","","1.035","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127684","12.8308","0.0004","15.2238","0.0005","16.2881","0.0006","90","","99.554","0.003","90","","3137.48","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 N3 O3 P2 Ru -","- C28 H51 N3 O3 P2 Ru -","- C112 H204 N12 O12 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0337","0.0269","","","0.0657","0.0684","","","","","","1.028","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127685","19.5466","0.0009","10.6601","0.0003","16.5688","0.0007","90","","112.086","0.005","90","","3199.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 N2 O2 P2 Ru -","- C32 H50 N2 O2 P2 Ru -","- C128 H200 N8 O8 P8 Ru4 -","4","1","","Bruffaerts, Jeffrey; von Wolff, Niklas; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles.","Journal of the American Chemical Society","2019","141","41","16486","16493","10.1021/jacs.9b08942","","","0.71073","MoKα","","0.0272","0.0218","","","0.0508","0.0524","","","","","","1.032","","","","has coordinates","220882","2020-10-21","18:00:00",""
"4127686","15.4802","0.0005","20.4445","0.0005","14.8005","0.0004","90","","102.362","0.001","90","","4575.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Cl4 F6 Sb -","- C50 H49 Cl4 F6 Sb -","- C200 H196 Cl16 F24 Sb4 -","4","1","","Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan","[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.","Journal of the American Chemical Society","2019","141","41","16266","16270","10.1021/jacs.9b09780","","","0.71073","MoKα","","0.0835","0.075","","","0.2247","0.2346","","","","","","1.056","","","","has coordinates","220883","2020-10-21","18:00:00",""
"4127687","19.435","0.002","26.395","0.003","10.1346","0.0011","90","","90.369","0.005","90","","5198.8","1","100","2","100","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C48 H45 -","- C48 H45 -","- C192 H180 -","4","0.5","","Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan","[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.","Journal of the American Chemical Society","2019","141","41","16266","16270","10.1021/jacs.9b09780","","","1.54178","CuKα","","0.1036","0.0941","","","0.269","0.2811","","","","","","1.056","","","","has coordinates","220884","2020-10-21","18:00:00",""
"4127688","13.3231","0.0007","9.9116","0.0006","14.2356","0.0007","90","","104.338","0.003","90","","1821.3","0.17","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0793","0.0474","","","0.0984","0.1116","","","","","","1.013","","","","has coordinates","220885","2020-10-21","18:00:00",""
"4127689","13.2215","0.0004","31.0295","0.0007","14.57","0.0004","90","","115.207","0.001","90","","5408.2","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H33 Cl3 N16 O16 -","- C53 H33 Cl3 N16 O16 -","- C212 H132 Cl12 N64 O64 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.07","0.0496","","","0.1173","0.1285","","","","","","1.02","","","","has coordinates,has disorder","220886","2020-10-21","18:00:00",""
"4127690","3.8362","0.0005","13.7755","0.0018","20.821","0.002","90","","90","","90","","1100.3","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0825","0.0475","","","0.0842","0.0949","","","","","","1.002","","","","has coordinates","220887","2020-10-21","18:00:00",""
"4127691","10.8681","0.0011","14.2652","0.0014","18.7149","0.0019","90","","105.731","0.001","90","","2792.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.24796","synchrotron","","0.0327","0.0257","","","0.0619","0.0659","","","","","","1.025","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127692","11.0301","0.0019","14.251","0.002","18.763","0.003","90","","107.025","0.002","90","","2820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.24796","synchrotron","","0.0398","0.0308","","","0.0746","0.0792","","","","","","1.05","","","","has coordinates,has disorder","220888","2020-10-21","18:00:00",""
"4127693","19.6255","0.001","21.4629","0.001","22.5422","0.0011","90","","109.875","0.002","90","","8929.7","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C172 H230 Cl12 N4 O36 Rh8 -","- C172 H230 Cl12 N4 O36 Rh8 -","- C344 H460 Cl24 N8 O72 Rh16 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0729","0.0541","","","0.096","0.1024","","","","","","1.154","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127694","11.721","0.0009","14.0235","0.001","40.538","0.003","90","","90","","90","","6663.2","0.9","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C71 H72 Cl2 N2 O8 Rh2 -","- C71 H72 Cl2 N2 O8 Rh2 -","- C284 H288 Cl8 N8 O32 Rh8 -","4","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.71073","MoKα","","0.0384","0.0366","","","0.082","0.0828","","","","","","1.245","","","","has coordinates","220888","2020-10-21","18:00:00",""
"4127695","11.0301","0.0019","14.251","0.002","18.763","0.003","90","","107.025","0.002","90","","2820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl4 N6 O8 Rh2 -","- C54 H74 Cl4 N6 O8 Rh2 -","- C108 H148 Cl8 N12 O16 Rh4 -","2","0.5","","Das, Anuvab; Chen, Yu-Sheng; Reibenspies, Joseph H.; Powers, David C.","Characterization of a Reactive Rh<sub>2</sub> Nitrenoid by Crystalline Matrix Isolation.","Journal of the American Chemical Society","2019","141","41","16232","16236","10.1021/jacs.9b09064","","x-ray","0.33062","synchrotron","","0.0676","0.0481","","","0.123","0.135","","","","","","1.023","","","","has coordinates,has disorder","220888","2020-10-21","18:00:00",""
"4127696","23.1927","0.0009","6.0161","0.0002","27.2923","0.0009","90","","100.314","0.003","90","","3746.6","0.2","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H27 F3 O -","- C22 H27 F3 O -","- C176 H216 F24 O8 -","8","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0594","0.044","","","0.1045","0.1136","","","","","","1.046","","","","has coordinates,has disorder","220889","2020-10-21","18:00:00",""
"4127697","8.2266","0.0002","9.0595","0.0002","24.4559","0.0006","90","","90","","90","","1822.67","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F3 O -","- C21 H25 F3 O -","- C84 H100 F12 O4 -","4","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0458","0.0422","","","0.1086","0.1117","","","","","","1.051","","","","has coordinates","220890","2020-10-21","18:00:00",""
"4127698","14.0153","0.0003","11.1661","0.0003","19.0586","0.0005","90","","90","","90","","2982.6","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B2 N2 O4 -","- C30 H46 B2 N2 O4 -","- C120 H184 B8 N8 O16 -","4","0.5","","Oeschger, Raphael J.; Larsen, Matthew A.; Bismuto, Alessandro; Hartwig, John F.","Origin of the Difference in Reactivity between Ir Catalysts for the Borylation of C-H Bonds.","Journal of the American Chemical Society","2019","141","41","16479","16485","10.1021/jacs.9b08920","","","1.54184","CuKα","","0.0645","0.056","","","0.1595","0.1665","","","","","","1.056","","","","has coordinates","220891","2020-10-21","18:00:00",""
"4127699","7.9812","0.0016","12.549","0.003","12.711","0.003","63.35","0.03","73.51","0.03","83.41","0.03","1090.9","0.5","90","2","90.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","2","","Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael","Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine.","Journal of the American Chemical Society","2019","141","41","16279","16287","10.1021/jacs.9b04473","","","0.6","neutrons","","0.0844","0.0842","","","0.2003","0.2005","","","","","","1.339","","","","has coordinates","220892","2020-10-21","18:00:00",""
"4127700","6.721","0.004","7.967","0.004","10.75","0.006","76.398","0.005","89.55","0.006","80.515","0.006","551.5","0.5","230","","230","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","","Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael","Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine.","Journal of the American Chemical Society","2019","141","41","16279","16287","10.1021/jacs.9b04473","","","0.6","neutrons","","0.0788","0.078","","","0.1789","0.1793","","","","","","1.169","","","","has coordinates,has disorder","220894","2020-10-21","18:00:00",""
"4127701","8.9726","0.0019","17.601","0.003","12.768","0.003","90","","93.916","0.019","90","","2011.7","0.7","193","2","193","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,14-bis(2,6-dimethylphenyl)dibenzo[hi,st]ovalene","","- C54 H32 -","- C54 H32 -","- C108 H64 -","2","0.5","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.4114","0.254","","","0.5643","0.6393","","","","","","1.597","","","","has coordinates","220895","2020-10-21","18:00:00",""
"4127702","24.2958","0.0005","17.0876","0.0002","24.361","0.0003","90","","90","","90","","10113.6","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,14-diformylbenzo[a]dinaphtho[2,1,8-cde:1',2',3',4'-ghi]perylene","","- C40 H21 N O2 -","- C40 H21 N O2 -","- C640 H336 N16 O32 -","16","2","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.1134","0.0878","","","0.1855","0.1999","","","","","","1.153","","","","has coordinates","220896","2020-10-21","18:00:00",""
"4127703","12.3464","0.0006","23.8926","0.0011","10.3661","0.0005","90","","109.61","0.003","90","","2880.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O6 S2 -","- C23 H30 N4 O6 S2 -","- C92 H120 N16 O24 S8 -","4","1","","Huang, Hanchu; Wang, Wenqi; Zhou, Zefeng; Sun, Bohan; An, Meirui; Haeffner, Fredrik; Niu, Jia","Radical Ring-Closing/Ring-Opening Cascade Polymerization.","Journal of the American Chemical Society","2019","141","32","12493","12497","10.1021/jacs.9b05568","","","1.54178","CuKα","","0.0672","0.0565","","","0.1592","0.1709","","","","","","1.032","","","","has coordinates,has disorder","220897","2020-10-21","18:00:00",""
"4127704","11.7701","0.0009","17.5799","0.0014","25.634","0.002","90","","90","","90","","5304.1","0.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42.15 H14.67 N O0.34 S2.31 -","- C42.154 H14.673 N O0.3365 S2.308 -","- C337.232 H117.384 N8 O2.692 S18.464 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","H<sub>2</sub>O/Olefinic-π Interaction inside a Carbon Nanocage.","Journal of the American Chemical Society","2019","141","32","12928","12938","10.1021/jacs.9b06759","","","0.71073","MoKα","","0.0762","0.0631","","","0.1777","0.1936","","","","","","1.084","","","","has coordinates,has disorder","220898","2020-10-21","18:00:00",""
"4127705","11.0844","0.0004","7.7458","0.0004","20.304","0.001","90","","91.1723","0.0014","90","","1742.89","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 B10 N O2 -","- C12 H21 B10 N O2 -","- C48 H84 B40 N4 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0721","0.0532","","","0.1384","0.1497","","","","","","1.105","","","","has coordinates","220899","2020-10-21","18:00:00",""
"4127706","7.1661","0.0003","15.9648","0.0007","15.0918","0.0007","90","","98.9674","0.0013","90","","1705.48","0.13","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B10 N O2 -","- C11 H21 B10 N O2 -","- C44 H84 B40 N4 O8 -","4","1","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0589","0.0512","","","0.1484","0.1551","","","","","","1.046","","","","has coordinates","220900","2020-10-21","18:00:00",""
"4127707","33.7489","0.0019","13.4301","0.0007","24.9712","0.0015","90","","116.232","0.0016","90","","10152.6","1","302","2","302","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 B10 F N O -","- C10 H16 B10 F N O -","- C240 H384 B240 F24 N24 O24 -","24","3","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.1134","0.0631","","","0.1549","0.1855","","","","","","1.023","","","","has coordinates","220901","2020-10-21","18:00:00",""
"4127708","8.4669","0.0006","13.4901","0.001","13.6718","0.001","66.8603","0.0019","75.881","0.0019","87.086","0.0019","1390.8","0.18","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 B20 Ir2 N2 O2 -","- C40 H64 B20 Ir2 N2 O2 -","- C40 H64 B20 Ir2 N2 O2 -","1","0.5","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.0528","0.0507","","","0.1245","0.1262","","","","","","1.106","","","","has coordinates","220902","2020-10-21","18:00:00",""
"4127709","10.4959","0.0004","13.6769","0.0006","14.7303","0.0006","113.848","0.002","92.532","0.002","111.529","0.002","1752.41","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.5 H17.5 B10 Cl1.5 N O -","- C10.5 H17.5 B10 Cl1.5 N O -","- C42 H70 B40 Cl6 N4 O4 -","4","2","","Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone.","Journal of the American Chemical Society","2019","141","32","12855","12862","10.1021/jacs.9b06204","","","0.71073","MoKα","","0.1473","0.1008","","","0.3072","0.3526","","","","","","1.269","","","","has coordinates","220903","2020-10-21","18:00:00",""
"4127710","9.9503","0.0008","10.9577","0.0009","12.3212","0.001","70.675","0.002","89.261","0.003","85.871","0.003","1264.34","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.1021","0.1075","","","","","","1.022","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127711","15.0526","0.001","6.9062","0.0005","17.3582","0.0012","90","","103.634","0.002","90","","1753.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0495","0.0403","","","0.1021","0.1076","","","","","","1.028","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127712","6.9174","0.0002","10.5842","0.0003","13.1785","0.0004","76.726","0.001","82.52","0.002","83.007","0.001","926.87","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O3 -","- C24 H16 F2 N2 O3 -","- C48 H32 F4 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0559","0.045","","","0.0965","0.1026","","","","","","1.084","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127713","6.9299","0.0003","10.8187","0.0004","13.1005","0.0005","76.659","0.001","85.526","0.001","82.454","0.001","946.24","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F4 N2 O3 -","- C24 H14 F4 N2 O3 -","- C48 H28 F8 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0588","0.039","","","0.0842","0.0926","","","","","","1.022","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127714","7.7824","0.0004","8.798","0.0005","15.0204","0.0008","90.548","0.002","97.632","0.002","98.051","0.002","1008.87","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 N2 O3 -","- C24 H10 F8 N2 O3 -","- C48 H20 F16 N4 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0461","0.0382","","","0.1024","0.1071","","","","","","1.042","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127715","23.2194","0.001","7.852","0.0003","7.3545","0.0003","90","","90","","90","","1340.86","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0369","0.0346","","","0.0898","0.0913","","","","","","1.051","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127716","11.5459","0.0007","14.1178","0.001","11.8327","0.0008","90","","98.294","0.004","90","","1908.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0529","0.0382","","","0.0882","0.0947","","","","","","1.025","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127717","8.3012","0.0003","13.3693","0.0006","17.8245","0.0007","90","","90","","90","","1978.18","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 F4 N O3 -","- C26 H15 F4 N O3 -","- C104 H60 F16 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0434","0.0354","","","0.0787","0.0821","","","","","","1.047","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127718","17.232","0.002","8.4715","0.0011","14.2645","0.0017","90","","93.467","0.004","90","","2078.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H11 F8 N O3 -","- C26 H11 F8 N O3 -","- C104 H44 F32 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0571","0.0424","","","0.096","0.1029","","","","","","1.041","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127719","6.9786","0.0006","13.7874","0.0011","14.798","0.0012","104.496","0.004","94.554","0.005","97.803","0.005","1356.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.31 H25.65 Cl0.74 N2.97 O3 -","- C34.31 H25.648 Cl0.732 N2.972 O3 -","- C68.62 H51.296 Cl1.464 N5.944 O6 -","2","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0676","0.0479","","","0.1092","0.1166","","","","","","1.053","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127720","35.4911","0.0014","35.4911","0.0014","9.9547","0.0004","90","","90","","120","","10859.2","0.7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C34 H23 N O3.12 -","- C34 H23 N O3.11633 -","- C612 H414 N18 O56.094 -","18","3","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0556","0.0416","","","0.0899","0.0964","","","","","","1.033","","","","has coordinates,has disorder","220904","2020-10-21","18:00:00",""
"4127721","9.1223","0.0013","8.7787","0.0012","19.83","0.004","90","","90.103","0.013","90","","1588","0.4","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1616","0.1219","","","0.132","0.1346","","","","7.17","7.17","6.19","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127722","16.24","0.0007","9.0384","0.0005","8.8082","0.0016","90","","97.619","0.007","90","","1281.5","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C14 H32 I14 N6 Pb4 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1281","0.0944","","","0.164","0.1676","","","","3.78","3.78","3.17","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127723","45.091","0.005","9.0494","0.0015","8.8654","0.001","90","","95.92","0.009","90","","3598.2","0.8","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C32 H88 I40 N16 Pb12 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.1867","0.1285","","","0.1663","0.1674","","","","7.96","7.96","5.92","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127724","28.8181","0.001","9.0332","0.0014","8.882","0.003","90","","94.138","0.009","90","","2306.1","0.9","298","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C18 H56 I26 N10 Pb8 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71013","MoKα","","0.2114","0.1234","","","0.1619","0.1632","","","","7.07","7.07","4.8","","","","has coordinates","220905","2020-10-21","18:00:00",""
"4127725","12.3348","0.0012","10.5038","0.0007","12.3423","0.0012","90","","90.002","0.008","90","","1599.1","0.2","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","2","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0705","0.0616","","","0.0691","0.0694","","","","4.06","4.06","3.85","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127726","34.678","0.004","8.7791","0.001","8.7644","0.0009","90","","104.536","0.008","90","","2582.8","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 I7 N3 Pb2 -","- C7 H16 I7 N3 Pb2 -","- C28 H64 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0591","0.0393","","","0.0709","0.0734","","","","1.96","1.96","1.75","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127727","23.175","0.003","8.8255","0.0007","8.8238","0.0009","90","","90.0045","","90","","1804.7","0.3","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H22 I10 N4 Pb3 -","- C8 H22 I10 N4 Pb3 -","- C16 H44 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0764","0.0522","","","0.0757","0.0765","","","","4.17","4.17","3.46","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127728","59.166","0.009","8.8404","0.001","8.8405","0.0013","90","","90","0.012","90","","4624","1.1","293","","293","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C9 H28 I13 N5 Pb4 -","- C9 H28 I13 N5 Pb4 -","- C36 H112 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.","Journal of the American Chemical Society","2019","141","32","12880","12890","10.1021/jacs.9b06398","","x-ray","0.71073","MoKα","","0.0872","0.0478","","","0.1053","0.1424","","","","2.62","2.62","2.73","","","","has coordinates","220906","2020-10-21","18:00:00",""
"4127729","17.2882","0.0014","17.2882","0.0014","95.075","0.008","90","","90","","120","","24609","3","100","2","99.98","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C243 H241 N23 O30 S7 -","- C243 H241 N23 O30 S7 -","- C729 H723 N69 O90 S21 -","3","0.25","","Shi, Yan; Yin, Guangqiang; Yan, Zhiping; Sang, Peng; Wang, Minghui; Brzozowski, Robert; Eswara, Prahathees; Wojtas, Lukasz; Zheng, Youxuan; Li, Xiaopeng; Cai, Jianfeng","Helical Sulfono-γ-AApeptides with Aggregation-Induced Emission and Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","32","12697","12706","10.1021/jacs.9b05329","","","1.54178","CuKα","","0.0875","0.0697","","","0.1992","0.2171","","","","","","1.048","","","","has coordinates,has disorder","220907","2020-10-21","18:00:00",""
"4127730","8.5171","0.0012","15.355","0.002","15.872","0.002","101.064","0.002","99.352","0.002","97.402","0.002","1982.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H78 N8 O7 Rh2 -","- C93 H78 N8 O7 Rh2 -","- C93 H78 N8 O7 Rh2 -","1","0.5","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.0573","0.0465","","","0.1307","0.14","","","","","","1.062","","","","has coordinates","220908","2020-10-21","18:00:00",""
"4127731","11.3021","0.0012","11.433","0.0012","19.651","0.002","85.111","0.003","77.907","0.003","62.019","0.003","2192.4","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H39 Cl2 N4 O2 Rh -","- C56 H39 Cl2 N4 O2 Rh -","- C112 H78 Cl4 N8 O4 Rh2 -","2","1","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.033","0.0288","","","0.0815","0.0876","","","","","","1.051","","","","has coordinates","220909","2020-10-21","18:00:00",""
"4127732","12.446","0.0006","13.6369","0.0006","13.8155","0.0007","66.3865","0.0012","67.2318","0.0013","63.2273","0.0012","1856.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H27 F6 N4 O2 Rh -","- C45 H27 F6 N4 O2 Rh -","- C90 H54 F12 N8 O4 Rh2 -","2","1","","Wei, Fangfang; Lai, Shiu-Lun; Zhao, Shunan; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah; Wong, Keith Man-Chung","Ligand Mediated Luminescence Enhancement in Cyclometalated Rhodium(III) Complexes and Their Applications in Efficient Organic Light-Emitting Devices.","Journal of the American Chemical Society","2019","141","32","12863","12871","10.1021/jacs.9b06308","","","0.71073","MoKα","","0.0348","0.0324","","","0.0921","0.0949","","","","","","1.047","","","","has coordinates","220910","2020-10-21","18:00:00",""
"4127733","20.0754","0.0016","20.0754","0.0016","22.1042","0.0018","90","","90","","90","","8908.5","1.2","220","2","220","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C128 H110 Cl6 N32 Ni4 O36 -","- C128 H104 Cl6 N32 Ni4 O36 -","- C256 H208 Cl12 N64 Ni8 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1136","0.0833","","","0.2118","0.2277","","","","","","1.085","","","","has coordinates,has disorder","220911","2020-10-21","18:00:00",""
"4127734","33.2486","0.0009","21.1446","0.0006","24.1227","0.0007","90","","110.247","0.0014","90","","15911","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl6 N26 Ni4 O47 -","- C116 H109 Cl6 N26 Ni4 O47 -","- C464 H436 Cl24 N104 Ni16 O188 -","4","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1936","0.0915","","","0.2192","0.2461","","","","","","1.084","","","","has coordinates,has disorder","220912","2020-10-21","18:00:00",""
"4127735","19.851","0.0008","19.851","0.0008","22.6268","0.001","90","","90","","90","","8916.4","0.6","200","2","200","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C124 H102 B4 F16 N30 O12 Zn4 -","- C124 H98 B4 F16 N30 O12 Zn4 -","- C248 H196 B8 F32 N60 O24 Zn8 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1055","0.0736","","","0.1741","0.1877","","","","","","1.082","","","","has coordinates,has disorder","220913","2020-10-21","18:00:00",""
"4127736","19.097","0.0019","21.105","0.002","23.148","0.002","90","","90","","90","","9329.6","1.5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C145 H122 F24 N34 O40 S8 Zn4 -","- C145 H120 F24 N34 O40 S8 Zn4 -","- C290 H240 F48 N68 O80 S16 Zn8 -","2","0.5","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0718","0.0561","","","0.1529","0.162","","","","","","1.077","","","","has coordinates,has disorder","220914","2020-10-21","18:00:00",""
"4127737","19.73","0.0016","19.73","0.0016","22.2762","0.0017","90","","90","","90","","8671.5","1.2","180","2","180","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H96 B4 Co4 F16 N28 O12 -","- C120 H92 B4 Co4 F16 N28 O12 -","- C240 H184 B8 Co8 F32 N56 O24 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1487","0.0733","","","0.1712","0.1883","","","","","","1.028","","","","has coordinates,has disorder","220915","2020-10-21","18:00:00",""
"4127738","19.841","0.0013","19.841","0.0013","22.7968","0.0015","90","","90","","90","","8974.3","1","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C124 H104 Cl6 Fe4 N30 O36 -","- C124 H98 Cl6 Fe4 N30 O36 -","- C248 H196 Cl12 Fe8 N60 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0916","0.0708","","","0.1821","0.1931","","","","","","1.079","","","","has coordinates,has disorder","220916","2020-10-21","18:00:00",""
"4127739","23.5865","0.0016","24.6752","0.0009","8.9356","0.0003","90","","90","","90","","5200.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H58 Cl2 N4 O Si3 -","- C45 H58 Cl2 N4 O Si3 -","- C180 H232 Cl8 N16 O4 Si12 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1171","0.0637","","","0.1219","0.1476","","","","","","0.947","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127740","26.7305","0.0013","9.9161","0.0004","22.47","0.0013","90","","113.466","0.006","90","","5463.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl4 N4 O Si4 -","- C45 H58 Cl4 N4 O Si4 -","- C180 H232 Cl16 N16 O4 Si16 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1657","0.0898","","","0.2223","0.2913","","","","","","0.971","","","","has coordinates,has disorder","220917","2020-10-21","18:00:00",""
"4127741","19.1971","0.0003","27.1494","0.0003","18.067","0.0003","90","","110.909","0.002","90","","8796.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 N4 O Si3 -","- C45 H58 N4 O Si3 -","- C360 H464 N32 O8 Si24 -","8","2","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.0571","0.0422","","","0.1047","0.1171","","","","","","1.023","","","","has coordinates,has disorder","220917","2020-10-21","18:00:00",""
"4127742","13.9968","0.001","15.1411","0.0013","15.8329","0.0009","61.805","0.007","65.984","0.006","68.07","0.007","2632","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H78 N4 O5 Si3 -","- C53 H78 N4 O5 Si3 -","- C106 H156 N8 O10 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1004","0.0559","","","0.1284","0.1597","","","","","","1","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127743","12.4375","0.0005","15.7696","0.0007","26.0633","0.0012","76.348","0.004","77.032","0.004","77.131","0.004","4762.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H126 N8 O5 Si6 -","- C94 H126 N8 O5 Si6 -","- C188 H252 N16 O10 Si12 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1101","0.0603","","","0.1324","0.1655","","","","","","0.987","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127744","9.6926","0.0004","13.9099","0.0006","17.6215","0.0008","70.283","0.004","88.832","0.004","80.984","0.004","2207.51","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H64 N6 O Si3 -","- C45 H64 N6 O Si3 -","- C90 H128 N12 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.069","0.0549","","","0.1438","0.1588","","","","","","1.054","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127745","9.0272","0.0007","18.6044","0.0014","18.9208","0.0012","112.095","0.007","91.889","0.006","94.254","0.006","2929.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H75 B N4 O Si3 -","- C63 H75 B N4 O Si3 -","- C126 H150 B2 N8 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1267","0.0693","","","0.145","0.1867","","","","","","1.005","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127746","12.7519","0.0005","13.089","0.0005","18.6644","0.0007","87.583","0.003","83.914","0.003","71.068","0.004","2930","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H77 B N4 O Si3 -","- C65 H77 B N4 O Si3 -","- C130 H154 B2 N8 O2 Si6 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.097","0.0786","","","0.2082","0.233","","","","","","1.035","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127747","16.335","0.002","16.335","0.002","6.4559","0.0013","90","","90","","90","","1722.6","0.5","100","","100","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- I2 Pb0.5 -","- I2 Pb0.5 -","- I16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1846","0.118","","","0.2876","0.3564","","","","","","1.309","","","","has coordinates,has disorder","220918","2020-10-21","18:00:00",""
"4127748","15.541","0.002","15.541","0.002","5.7821","0.0012","90","","90","","90","","1396.5","0.4","273","2","273.15","","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Cl2 Pb0.5 -","- Cl2 Pb0.5 -","- Cl16 Pb4 -","8","1","","Gautier, Romain; Paris, Michael; Massuyeau, Florian","Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen.","Journal of the American Chemical Society","2019","141","32","12619","12623","10.1021/jacs.9b04262","","","0.71073","MoKα","","0.1308","0.1064","","","0.2611","0.2916","","","","","","1.199","","","","has coordinates,has disorder","220919","2020-10-21","18:00:00",""
"4127749","19.099","0.004","25.697","0.005","19.253","0.004","90","","91.374","0.003","90","","9446","3","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","U19","","","- C24 H16 K22.69 O151.5 P8 U18.61 -","- C24 H16 K22.692 O151.5 P8 U18.608 -","- C48 H32 K45.384 O303 P16 U37.216 -","2","1","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0875","0.0605","","","0.1438","0.159","","","","","","1.02","","","","has coordinates,has disorder","220920","2020-10-21","18:00:00",""
"4127750","19.6881","0.0013","19.6881","0.0013","19.0607","0.0018","90","","90","","90","","7388.3","1","160","2","160","2","","","","","","","","6","I 4/m","-I 4","87","U24","","","- C0 H0 K26.92 O159 P0 U24 -","- K27.024 O158.98 U24 -","- K54.048 O317.96 U48 -","2","0.125","","Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.","Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.","Journal of the American Chemical Society","2019","141","32","12780","12788","10.1021/jacs.9b05599","","","0.71073","MoKα","","0.0256","0.021","","","0.0462","0.0474","","","","","","1.05","","","","has coordinates","220921","2020-10-21","18:00:00",""
"4127751","51.236","0.005","8.7266","0.0009","9.1242","0.0009","90","","90","","90","","4079.6","0.7","200","2","200","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","x-ray","0.71073","MoKα","","0.0779","0.0546","","","0.1161","0.1297","","","","","","1.05","","","","has coordinates","220922","2020-10-21","18:00:00",""
"4127752","9.0291","0.0009","8.9825","0.0009","52.666","0.006","90","","90","","90","","4271.4","0.8","340","2","340.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.2133","0.1064","","","0.2053","0.2453","","","","","","1.084","","","","has coordinates","220923","2020-10-21","18:00:00",""
"4127753","6.3937","0.0006","6.3937","0.0006","52.791","0.008","90","","90","","90","","2158.1","0.4","373","2","373","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","0.0625","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.0795","0.051","","","0.09","0.1024","","","","","","1.041","","","","has coordinates,has disorder","220924","2020-10-21","18:00:00",""
"4127754","7.8872","0.0003","15.4283","0.0006","24.3545","0.001","94.076","0.003","92.133","0.003","97.566","0.003","2927.1","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C91 H54 S2 -","- C91 H54 S2 -","- C182 H108 S4 -","2","1","","Hu, Yunbin; Paternò, Giuseppe M; Wang, Xiao-Ye; Wang, Xin-Chang; Guizzardi, Michele; Chen, Qiang; Schollmeyer, Dieter; Cao, Xiao-Yu; Cerullo, Giulio; Scotognella, Francesco; Müllen, Klaus; Narita, Akimitsu","π-Extended Pyrene-Fused Double [7]Carbohelicene as a Chiral Polycyclic Aromatic Hydrocarbon.","Journal of the American Chemical Society","2019","141","32","12797","12803","10.1021/jacs.9b05610","","","0.71073","MoKα","","0.1394","0.0887","","","0.2228","0.2533","","","","","","1.062","","","","has coordinates,has disorder","220925","2020-10-21","18:00:00",""
"4127755","6.2022","0.0002","12.0562","0.0005","11.3655","0.0004","90","","92.957","0.002","90","","848.72","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 B O4 -","- C16 H27 B O4 -","- C32 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.34139","GaKα","","0.0893","0.0811","","","0.2034","0.2113","","","","","","1.03","","","","has coordinates","220926","2020-10-21","18:00:00",""
"4127756","27.671","0.002","6.9365","0.0006","10.7712","0.0008","90","","100.202","0.004","90","","2034.7","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H31 B O4 -","- C19 H31 B O4 -","- C76 H124 B4 O16 -","4","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0729","0.0572","","","0.1513","0.1704","","","","","","1.025","","","","has coordinates,has disorder","220927","2020-10-21","18:00:00",""
"4127757","6.5292","0.0002","11.5538","0.0003","11.7344","0.0003","90","","101.71","0.001","90","","866.79","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 B O4 -","- C17 H27 B O4 -","- C34 H54 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0321","0.0316","","","0.087","0.0876","","","","","","1.059","","","","has coordinates","220928","2020-10-21","18:00:00",""
"4127758","6.9327","0.0004","7.3133","0.0004","8.9299","0.0005","90","","95.124","0.002","90","","450.94","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0306","0.0305","","","0.0872","0.0874","","","","","","1.031","","","","has coordinates","220929","2020-10-21","18:00:00",""
"4127759","6.7144","0.0002","11.6764","0.0003","10.844","0.0003","90","","101.962","0.001","90","","831.71","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C32 H50 B2 O8 -","2","1","","Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang","Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study.","Journal of the American Chemical Society","2019","141","32","12770","12779","10.1021/jacs.9b05583","","","1.54178","CuKα","","0.0501","0.0479","","","0.1277","0.1312","","","","","","1.074","","","","has coordinates,has disorder","220930","2020-10-21","18:00:00",""
"4127760","11.18","0.02","13.88","0.02","16.93","0.03","74.23","0.04","85.68","0.03","87.32","0.04","2520","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TS460 TT MAPB","","","- C64 H54 N2 O4 S2 -","- C64 H54 N2 O4 S2 -","- C128 H108 N4 O8 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1018","0.0777","","","0.1586","0.1678","","","","","","1.152","","","","has coordinates,has disorder","220931","2020-10-21","18:00:00",""
"4127761","10.0629","0.0019","12.379","0.003","25.104","0.005","86.773","0.007","81.159","0.007","78.54","0.007","3027.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TS462-BDTOEt-MAPB","","","- C71 H63 Cl3 N4 O4 S2 -","- C71 H63 Cl3 N4 O4 S2 -","- C142 H126 Cl6 N8 O8 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1511","0.0843","","","0.2105","0.2439","","","","","","1.035","","","","has coordinates,has disorder","220932","2020-10-21","18:00:00",""
"4127762","9.4004","0.0004","11.0528","0.0005","24.834","0.001","85.538","0.002","84.11","0.001","65.666","0.001","2336.83","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BDT MAPB cryst","","","- C63 H47 N3 O S2 -","- C63 H47 N3 O S2 -","- C126 H94 N6 O2 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.0853","0.0517","","","0.114","0.1275","","","","","","1.013","","","","has coordinates,has disorder","220933","2020-10-21","18:00:00",""
"4127763","9.962","0.0004","13.7057","0.0005","18.6233","0.0007","89.038","0.001","78.249","0.001","74.177","0.002","2393.11","0.16","103","2","103","2","","","","","","","","3","P -1","-P 1","2","TA-MAPB","","","- C66.5 H52 N2 -","- C66.5 H52 N2 -","- C133 H104 N4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.0915","0.0664","","","0.1654","0.1816","","","","","","1.033","","","","has coordinates,has disorder","220934","2020-10-21","18:00:00",""
"4127764","10.0992","0.0005","12.3535","0.0006","25.0363","0.0009","85.671","0.002","80.923","0.002","78.079","0.002","3014.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TS461 BDTOMe MAPB","","","- C62 H44 N2 O2 S2 -","- C62 H44 N2 O2 S2 -","- C124 H88 N4 O4 S4 -","2","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.1178","0.0739","","","0.2091","0.2268","","","","","","0.971","","","","has coordinates","220935","2020-10-21","18:00:00",""
"4127765","9.2615","0.0009","55.194","0.006","9.7156","0.001","90","","115.71","0.003","90","","4474.7","0.8","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TS-linPY-MAPB","","","- C66 H44 N2 -","- C66 H44 N2 -","- C264 H176 N8 -","4","1","","Sick, Torben; Rotter, Julian M.; Reuter, Stephan; Kandambeth, Sharath; Bach, Nicolai N.; Döblinger, Markus; Merz, Julia; Clark, Timothy; Marder, Todd B.; Bein, Thomas; Medina, Dana D.","Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","32","12570","12581","10.1021/jacs.9b02800","","","0.71073","MoKα","","0.2071","0.1074","","","0.184","0.2181","","","","","","1.075","","","","has coordinates","220936","2020-10-21","18:00:00",""
"4127766","10.4389","0.0009","13.2789","0.0012","13.6962","0.0012","67.226","0.004","74.054","0.004","88.462","0.004","1676.4","0.3","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl3 N2 O7 -","- C36 H33 Cl3 N2 O7 -","- C72 H66 Cl6 N4 O14 -","2","1","","Zhang, Wenhan; Chu, Jennifer; Cyr, Andrew M.; Yueh, Han; Brown, Lauren E.; Wang, Tony T.; Pelletier, Jerry; Porco, Jr, John A","Intercepted Retro-Nazarov Reaction: Syntheses of Amidino-Rocaglate Derivatives and Their Biological Evaluation as eIF4A Inhibitors.","Journal of the American Chemical Society","2019","141","32","12891","12900","10.1021/jacs.9b06446","","","1.54178","CuKα","","0.0832","0.0767","","","0.1798","0.1831","","","","","","1.095","","","","has coordinates,has disorder","220937","2020-10-21","18:00:00",""
"4127767","16.04116","0.00011","13.40403","0.00008","7.62996","0.00005","90","","90","","90","","1640.56","0.018","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 B F9 N6 Ni -","- C12 H10 B F9 N6 Ni -","- C48 H40 B4 F36 N24 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Nguyen, Shay N.; Camasso, Nicole M.; Chong, Eugene; Ariafard, Alireza; Canty, Allan J.; Sanford, Melanie S.","Nickel(IV)-Catalyzed C-H Trifluoromethylation of (Hetero)arenes.","Journal of the American Chemical Society","2019","141","32","12872","12879","10.1021/jacs.9b06383","","","1.54184","CuKα","","0.0297","0.0296","","","0.0791","0.0792","","","","","","1.116","","","","has coordinates","220938","2020-10-21","18:00:00",""
"4127768","27.6539","0.0018","31.523","0.002","9.6026","0.0006","90","","90","","90","","8370.9","0.9","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H142 K O10 Th -","- C84 H142 K O10 Th -","- C336 H568 K4 O40 Th4 -","4","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0454","0.0346","","","0.0698","0.0734","","","","","","1.058","","","","has coordinates,has disorder","220939","2020-10-21","18:00:00",""
"4127769","20.987","0.003","19.879","0.003","39.091","0.006","90","","95.3671","0.0019","90","","16237","4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78.5 H128.5 Li O8.5 Th -","- C78.5 H128.75 Li O8.5 Th -","- C628 H1030 Li8 O68 Th8 -","8","1","","Huh, Daniel N.; Roy, Saswata; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Isolation of a Square-Planar Th(III) Complex: Synthesis and Structure of [Th(OC<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>2</sub>-2,6-Me-4)<sub>4</sub>]<sup>1</sup>.","Journal of the American Chemical Society","2019","141","32","12458","12463","10.1021/jacs.9b04399","","","0.71073","MoKα","","0.0499","0.0385","","","0.0918","0.0967","","","","","","1.035","","","","has coordinates,has disorder","220940","2020-10-21","18:00:00",""
"4127770","6.2457","0.0002","23.7522","0.0007","15.0056","0.0004","90","","93.4","0.003","90","","2222.15","0.11","298","0.1","298","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C48 H72 N24 O72 -","6","1.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0554","0.0421","","","0.0937","0.1005","","","","","","1.041","","","","has coordinates","220941","2020-10-21","18:00:00",""
"4127771","26.9938","0.0019","17.3049","0.0009","6.0736","0.0005","90","","90","","90","","2837.1","0.3","296","3","296","3","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C64 H96 N32 O96 -","8","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0326","0.0303","","","0.0716","0.0731","","","","","","1.084","","","","has coordinates","220942","2020-10-21","18:00:00",""
"4127772","7.6027","0.0004","9.8312","0.0004","9.8783","0.0004","90","","93.581","0.005","90","","736.9","0.06","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C16 H24 N8 O24 -","2","1","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0472","0.0399","","","0.0725","0.0757","","","","","","1.053","","","","has coordinates","220943","2020-10-21","18:00:00",""
"4127773","12.8079","0.0004","9.3371","0.0003","12.0047","0.0004","90","","95.751","0.003","90","","1428.4","0.08","298","0.1","298","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0364","0.0337","","","0.088","0.0901","","","","","","1.096","","","","has coordinates","220944","2020-10-21","18:00:00",""
"4127774","7.9408","0.0003","16.135","0.0007","11.2323","0.0004","90","","90","","90","","1439.14","0.1","298","0.1","298","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C32 H48 N16 O48 -","4","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0475","0.0412","","","0.1016","0.1067","","","","","","1.122","","","","has coordinates","220945","2020-10-21","18:00:00",""
"4127775","4.18488","0.00007","4.18488","0.00007","14.5659","0.0004","90","","90","","90","","255.096","0.009","300","","300","","","","","","","","","4","I 41 m d","I 4bw -2","109","LaNiSiH1.50","LaNiSiH1.50","","- H1.5 La Ni Si -","- H1.472 La Ni Si -","- H5.888 La4 Ni4 Si4 -","4","0.25","","Mizoguchi, Hiroshi; Park, Sang-Won; Kishida, Kazuhisa; Kitano, Masaaki; Kim, Junghwan; Sasase, Masato; Honda, Takashi; Ikeda, Kazutaka; Otomo, Toshiya; Hosono, Hideo","Zeolitic Intermetallics: LnNiSi (Ln = La-Nd).","Journal of the American Chemical Society","2019","141","8","3376","3379","10.1021/jacs.8b12784","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","0.069525","0.236","","","","","","","has coordinates","220946","2020-10-21","18:00:00",""
"4127776","5.6789","0.0001","14.8057","0.0003","19.0477","0.0004","90","","90","","90","","1601.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","1.54178","CuKα","","0.0635","0.0587","","","0.1677","0.1762","","","","","","1.03","","","","has coordinates","220947","2020-10-21","18:00:00",""
"4127777","6.4416","0.0003","10.2487","0.0004","49.282","0.003","90","","90","","90","","3253.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N O -","- C17 H22 Cl N O -","- C136 H176 Cl8 N8 O8 -","8","2","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","0.71073","MoKα","","0.1178","0.0811","","","0.1946","0.2244","","","","","","0.993","","","","has coordinates","220948","2020-10-21","18:00:00",""
"4127778","9.1614","0.0006","9.5112","0.0006","10.1222","0.0006","63.418","0.002","76.896","0.002","74.291","0.002","753.58","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","","Xie, Shengling; Chen, Gui; Yan, Hao; Hou, Jieping; He, Yongping; Zhao, Tongyun; Xu, Jing","13-Step Total Synthesis of Atropurpuran.","Journal of the American Chemical Society","2019","141","8","3435","3439","10.1021/jacs.9b00391","","","0.71073","MoKα","","0.0871","0.0798","","","0.2478","0.259","","","","","","1.111","","","","has coordinates","220949","2020-10-21","18:00:00",""
"4127779","21.454","0.003","16.346","0.002","22.919","0.003","90","","90","","90","","8037.4","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DACstartCuCz(CN)2","","","- C44 H46 Cu N5 O2 -","- C44 H46 Cu N5 O2 -","- C352 H368 Cu8 N40 O16 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0639","0.0397","","","0.0883","0.0975","","","","","","1.04","","","","has coordinates","220950","2020-10-21","18:00:00",""
"4127780","21.45","0.004","16.176","0.003","23.183","0.005","90","","90","","90","","8044","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MAACCuCzCN2","","","- C44 H49 Cu N5 O -","- C44 H48 Cu N5 O -","- C352 H384 Cu8 N40 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0501","0.0342","","","0.0815","0.0898","","","","","","1.013","","","","has coordinates","220951","2020-10-21","18:00:00",""
"4127781","13.515","0.007","23.275","0.012","13.016","0.007","90","","113.2","0.008","90","","3763","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MAACCuCz","","","- C42 H50 Cu N3 O -","- C42 H50 Cu N3 O -","- C168 H200 Cu4 N12 O4 -","4","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.1061","0.0795","","","0.1607","0.1687","","","","","","1.267","","","","has coordinates,has disorder","220952","2020-10-21","18:00:00",""
"4127782","16.236","0.005","23.108","0.006","21.854","0.006","90","","98.613","0.006","90","","8107","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MAACCuCzCN","","","- C43 H47 Cu N4 O -","- C43 H47 Cu N4 O -","- C344 H376 Cu8 N32 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0477","0.0419","","","0.0996","0.1018","","","","","","1.119","","","","has coordinates,has disorder","220953","2020-10-21","18:00:00",""
"4127783","12.114","0.0001","12.9777","0.0001","14.7578","0.0001","90","","90","","90","","2320.1","0.03","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N2 O4.5 -","- C27 H28 N2 O4.5 -","- C108 H112 N8 O18 -","4","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0351","0.0337","","","0.0899","0.0927","","","","","","1.077","","","","has coordinates","220954","2020-10-21","18:00:00",""
"4127784","10.8485","0.0003","8.5152","0.0003","15.5978","0.0006","90","","106.083","0.003","90","","1384.49","0.08","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 Cl N2 O2.5 -","- C27 H34 Cl N2 O2.5 -","- C54 H68 Cl2 N4 O5 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0655","0.064","","","0.1693","0.1718","","","","","","1.037","","","","has coordinates,has disorder","220955","2020-10-21","18:00:00",""
"4127785","7.21026","0.00009","12.31353","0.00012","15.41477","0.00014","90","","96.9925","0.001","90","","1358.4","0.02","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N2 O2 -","- C33 H36 N2 O2 -","- C66 H72 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0326","0.0322","","","0.082","0.0825","","","","","","1.087","","","","has coordinates","220956","2020-10-21","18:00:00",""
"4127786","10.8605","0.0002","8.5051","0.0001","15.6375","0.0004","90","","106.459","0.002","90","","1385.24","0.05","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N2 O2 -","- C27 H35 Cl N2 O2 -","- C54 H70 Cl2 N4 O4 -","2","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0929","0.0892","","","0.2434","0.2514","","","","","","1.064","","","","has coordinates","220957","2020-10-21","18:00:00",""
"4127787","4.9345","0.0001","8.6504","0.0002","23.3738","0.0006","90","","90","","90","","997.72","0.04","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L.","Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure.","Journal of the American Chemical Society","2019","141","8","3430","3434","10.1021/jacs.8b13498","","x-ray","1.54178","CuKα","","0.0223","0.022","","","0.0572","0.0576","","","","","","1.086","","","","has coordinates","220958","2020-10-21","18:00:00",""
"4127788","7.8351","0.0006","13.23","0.001","8.4949","0.0007","90","","92.544","0.004","90","","879.7","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O2 S -","- C19 H20 Br N O2 S -","- C38 H40 Br2 N2 O4 S2 -","2","1","","Ma, Xiaofeng; Hazelden, Ian R.; Langer, Thomas; Munday, Rachel H.; Bower, John F.","Enantioselective Aza-Heck Cyclizations of N-(Tosyloxy)carbamates: Synthesis of Pyrrolidines and Piperidines.","Journal of the American Chemical Society","2019","141","8","3356","3360","10.1021/jacs.8b12689","","","0.71073","MoKα","","0.0199","0.019","","","0.0458","0.0461","","","","","","1.046","","","","has coordinates","220959","2020-10-21","18:00:00",""
"4127789","7.566","0.0004","21.7993","0.0011","8.4539","0.0004","90","","117.515","0.002","90","","1236.62","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cd N3 O5 -","- C8 H13 Cd N3 O5 -","- C32 H52 Cd4 N12 O20 -","4","1","","do Nascimento Neto, José Antônio; Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Queiroz Júnior, Luiz Henrique Keng; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Martins, Felipe Terra","A Blue-Light-Emitting Cadmium Coordination Polymer with 75.4% Photoluminescence Quantum Yield.","Journal of the American Chemical Society","2019","141","8","3400","3403","10.1021/jacs.8b13561","","","0.71073","MoKα","","0.0301","0.0264","","","0.0711","0.074","","","","","","1.115","","","","has coordinates,has disorder","220960","2020-10-21","18:00:00",""
"4127790","16.8628","0.0012","20.1743","0.0015","27.8022","0.0019","90","","90","","90","","9458.2","1.2","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C56 H32 As8 Ba8 O78 Pd13 -","- C56 H32 As8 Ba8 O78 Pd13 -","- C112 H64 As16 Ba16 O156 Pd26 -","2","0.25","","Bhattacharya, Saurav; Ayass, Wassim W.; Taffa, Dereje H.; Schneemann, Andreas; Semrau, A. Lisa; Wannapaiboon, Suttipong; Altmann, Philipp J.; Pöthig, Alexander; Nisar, Talha; Balster, Torsten; Burtch, Nicholas C.; Wagner, Veit; Fischer, Roland A.; Wark, Michael; Kortz, Ulrich","Discovery of Polyoxo-Noble-Metalate-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","8","3385","3389","10.1021/jacs.8b13397","","","0.71073","MoKα","","0.0756","0.0601","","","0.1685","0.1761","","","","","","1.087","","","","has coordinates,has disorder","220961","2020-10-21","18:00:00",""
"4127791","15.387","0.006","3.6524","0.0016","12.755","0.006","90","","90","","90","","716.8","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H5 K Li N3 O5 -","- C3 K Li N3 O5 -","- C12 K4 Li4 N12 O20 -","4","1","","Lin, Donghong; Luo, Min; Lin, Chensheng; Xu, Feng; Ye, Ning","KLi(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)·2H<sub>2</sub>O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal.","Journal of the American Chemical Society","2019","141","8","3390","3394","10.1021/jacs.8b13280","","","0.71073","MoKα","","0.0287","0.0282","","","0.0803","0.0806","","","","","","1.001","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4127792","7.2556","0.0003","12.7487","0.0007","18.2452","0.0007","90","","91.333","0.004","90","","1687.21","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 Co N3 S2 Si -","- C11 H27 Co N3 S2 Si -","- C44 H108 Co4 N12 S8 Si4 -","4","1","","Gordon, Jesse B.; Vilbert, Avery C.; Siegler, Maxime A.; Lancaster, Kyle M.; Moënne-Loccoz, Pierre; Goldberg, David P.","A Nonheme Thiolate-Ligated Cobalt Superoxo Complex: Synthesis and Spectroscopic Characterization, Computational Studies, and Hydrogen Atom Abstraction Reactivity.","Journal of the American Chemical Society","2019","141","8","3641","3653","10.1021/jacs.8b13134","","","0.71073","MoKα","","0.0471","0.036","","","0.0788","0.0814","","","","","","0.927","","","","has coordinates,has disorder","220963","2020-10-21","18:00:00",""
"4127793","18.6494","0.0009","14.254","0.0007","20.795","0.0011","90","","98.803","0.003","90","","5462.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H77 Cl2 Ge2 P -","- C60 H77 Cl2 Ge2 P -","- C240 H308 Cl8 Ge8 P4 -","4","1","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0587","0.0518","","","0.1139","0.1162","","","","","","1.266","","","","has coordinates,has disorder","220964","2020-10-21","18:00:00",""
"4127794","9.5389","0.0002","16.2601","0.0004","16.9069","0.0004","83.432","0.001","81.179","0.001","88.272","0.001","2574.08","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H69 Ge2 P -","- C60 H69 Ge2 P -","- C120 H138 Ge4 P2 -","2","1","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0435","0.0315","","","0.0747","0.0796","","","","","","1.018","","","","has coordinates","220965","2020-10-21","18:00:00",""
"4127795","19.535","0.0006","19.535","0.0006","19.535","0.0006","90","","90","","90","","7454.9","0.4","100","2","100","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- C6.67 H10 Ge0.67 N0.67 -","- C6.66667 H10 Ge0.666667 N0.666667 -","- C320 H480 Ge32 N32 -","48","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0503","0.0268","","","0.056","0.062","","","","","","1.086","","","","has coordinates","220966","2020-10-21","18:00:00",""
"4127796","10.8251","0.0004","28.5433","0.001","18.1586","0.0006","90","","91.12","0.002","90","","5609.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H78 Ge2 P2 -","- C65 H78 Ge2 P2 -","- C260 H312 Ge8 P8 -","4","2","","Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars","Phosphine-Stabilized Digermavinylidene.","Journal of the American Chemical Society","2019","141","8","3424","3429","10.1021/jacs.8b13645","","","0.71073","MoKα","","0.0895","0.0581","","","0.1002","0.1117","","","","","","1.067","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127797","28.5768","0.0002","28.5768","0.0002","9.68441","0.00009","90","","90","","120","","6849.06","0.09","100","","100","","","","","","","","","3","P 63","P 6c","173","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C270 H540 O36 -","18","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0491","0.0437","","","0.1147","0.123","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127798","9.9823","0.0004","16.935","0.0005","11.0277","0.0004","90","","109.749","0.004","90","","1754.58","0.12","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0835","0.0674","","","0.1577","0.1652","","","","","","1.024","","","","has coordinates","220969","2020-10-21","18:00:00",""
"4127799","5.29465","0.00006","19.8691","0.0002","39.0839","0.0004","90","","90","","90","","4111.62","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C180 H336 O12 -","12","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.1002","0.0796","","","0.2066","0.2303","","","","","","1.092","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4127800","5.19326","0.00005","10.12354","0.00009","25.958","0.0002","90","","90","","90","","1364.72","0.02","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C60 H112 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0311","0.0301","","","0.0771","0.0777","","","","","","1.061","","","","has coordinates","220972","2020-10-21","18:00:00",""
"4127801","15.14","0.0003","8.47783","0.00014","22.8203","0.0004","90","","90","","90","","2929.08","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0611","0.0488","","","0.1227","0.1347","","","","","","1.029","","","","has coordinates","220973","2020-10-21","18:00:00",""
"4127802","7.80152","0.00017","15.1999","0.0004","16.6629","0.0005","90","","90","","90","","1975.93","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O4 -","- C22 H31 N O4 -","- C88 H124 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0761","0.0536","","","0.0897","0.1006","","","","","","1.031","","","","has coordinates","220974","2020-10-21","18:00:00",""
"4127803","8.82878","0.00014","8.60788","0.00012","13.17393","0.00018","90","","103.457","0.0015","90","","973.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C42 H68 O8 -","2","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.04","0.0383","","","0.1013","0.1033","","","","","","1.053","","","","has coordinates","220975","2020-10-21","18:00:00",""
"4127804","8.8017","0.0006","25.5888","0.0014","8.8696","0.0007","90","","112.309","0.009","90","","1848.1","0.2","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O3 -","- C20 H34 O3 -","- C80 H136 O12 -","4","2","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0864","0.073","","","0.1741","0.1854","","","","","","1.053","","","","has coordinates","220976","2020-10-21","18:00:00",""
"4127805","15.6672","0.0001","15.6672","0.0001","6.9521","0.0001","90","","90","","120","","1477.85","0.03","100","2","100","2","","","","","","","","3","P 32","P 32","145","","","","- C20 H32 O -","- C20 H32 O -","- C60 H96 O3 -","3","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0585","0.0501","","","0.1217","0.1303","","","","","","1.075","","","","has coordinates","220977","2020-10-21","18:00:00",""
"4127806","16.7996","0.0008","7.775","0.0003","19.4691","0.001","90","","103.809","0.005","90","","2469.5","0.2","179.98","0.13","179.98","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H35 N O4 -","- C27 H35 N O4 -","- C108 H140 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","","0.71073","MoKα","","0.0425","0.0349","","","0.0826","0.0853","","","","","","1.041","","","","has coordinates","220978","2020-10-21","18:00:00",""
"4127807","10.0448","0.00016","10.66539","0.00017","12.99878","0.0002","90","","90","","90","","1392.58","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0297","0.0284","","","0.0745","0.0752","","","","","","1.052","","","","has coordinates","220979","2020-10-21","18:00:00",""
"4127808","5.2757","0.0002","12.2737","0.0005","14.991","0.0007","75.6814","0.0014","84.387","0.0013","80.6867","0.0012","926.45","0.07","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","5,9,14,18-tetrabutyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C50 H50 -","- C50 H50 -","- C50 H50 -","1","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1057","0.0807","","","0.2243","0.26","","","","","","1.032","","","","has coordinates","220980","2020-10-21","18:00:00",""
"4127809","7.457","0.0004","17.701","0.0011","18.1186","0.001","73.7794","0.0017","78.4187","0.0018","79.3591","0.0019","2228.5","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","5,9,14,18-tetrahexyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C58 H66 -","- C58 H66 -","- C116 H132 -","2","1","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.0978","0.0717","","","0.1775","0.1945","","","","","","1.061","","","","has coordinates,has disorder","220981","2020-10-21","18:00:00",""
"4127810","18.5667","0.0008","5.4401","0.0002","26.2707","0.001","90","","100.313","0.0013","90","","2610.59","0.18","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5,9,14,18-tetraoctyl-bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C66 H82 -","- C66 H82 -","- C132 H164 -","2","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1222","0.0712","","","0.1742","0.2024","","","","","","1.019","","","","has coordinates","220982","2020-10-21","18:00:00",""
"4127811","11.9595","0.0007","12.1909","0.0007","13.5416","0.0008","83.5564","0.0015","78.4471","0.0015","64.2983","0.0014","1742.23","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5,9,14,18-tetrahexyl-7,16-bis(triisopropylethynyl)bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C80 H106 Si2 -","- C80 H106 Si2 -","- C80 H106 Si2 -","1","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.1517","0.094","","","0.2228","0.2566","","","","","","1.07","","","","has coordinates","220983","2020-10-21","18:00:00",""
"4127812","8.4074","0.0002","22.0519","0.0005","13.4051","0.0003","90","","93.3748","0.0013","90","","2480.98","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,9,14,18-tetramethyl-7,16-bis(triisopropylethynyl)bisnaphtho[2',3':3,4]cyclobut[1,2-b:1',2'-i]anthracene","","- C60 H66 Si2 -","- C60 H66 Si2 -","- C120 H132 Si4 -","2","0.5","","Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian","Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors.","Journal of the American Chemical Society","2019","141","8","3589","3596","10.1021/jacs.8b12671","","","0.71073","MoKα","","0.089","0.0626","","","0.1711","0.1942","","","","","","1.036","","","","has coordinates","220984","2020-10-21","18:00:00",""
"4127813","8.437","0.003","13.211","0.005","15.74","0.006","86.979","0.005","86.428","0.005","84.577","0.005","1741.2","1.1","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 N2 O2 Pd -","- C17 H10 F6 N2 O2 Pd -","- C68 H40 F24 N8 O8 Pd4 -","4","2","","Khalil, Abdullah; Karothu, Durga Prasad; Naumov, Panče","Direct Quantification of Rapid and Efficient Single-Stroke Actuation by a Martensitic Transition in a Thermosalient Crystal.","Journal of the American Chemical Society","2019","141","8","3371","3375","10.1021/jacs.8b12752","","x-ray","0.71073","MoKα","","0.0391","0.0318","","","0.0738","0.0801","","","","","","1.075","","","","has coordinates","220985","2020-10-21","18:00:00",""
"4127814","10.1368","0.0004","16.7143","0.0007","39.9206","0.0018","90","","90","","90","","6763.7","0.5","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B Cl N2 O4 -","- C33 H46 B Cl N2 O4 -","- C264 H368 B8 Cl8 N16 O32 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0772","0.0534","","","0.1462","0.1596","","","","","","1.29","","","","has coordinates","220986","2020-10-21","18:00:00",""
"4127815","14.5624","0.0006","18.4649","0.0007","38.235","0.0015","90","","90","","90","","10281.1","0.7","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 B N2 O4 -","- C26 H31 B N2 O4 -","- C416 H496 B16 N32 O64 -","16","2","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0697","0.0496","","","0.1441","0.1561","","","","","","1.443","","","","has coordinates","220987","2020-10-21","18:00:00",""
"4127816","8.3105","0.0004","9.8008","0.0005","9.9682","0.0005","74.16","0.004","81.438","0.004","70.283","0.003","733.83","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 B N2 O4 -","- C14 H17 B N2 O4 -","- C28 H34 B2 N4 O8 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0669","0.0564","","","0.1624","0.1716","","","","","","1.678","","","","has coordinates","220988","2020-10-21","18:00:00",""
"4127817","18.2555","0.0014","10.0709","0.0006","9.1697","0.0006","90","","90","","90","","1685.8","0.2","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0712","0.0525","","","0.1305","0.1473","","","","","","1.052","","","","has coordinates","220989","2020-10-21","18:00:00",""
"4127818","10.2645","0.0004","15.635","0.0006","19.4355","0.0008","90","","101.166","0.002","90","","3060.1","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 B N2 O4 -","- C32 H43 B N2 O4 -","- C128 H172 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0617","0.0495","","","0.141","0.1483","","","","","","1.414","","","","has coordinates","220990","2020-10-21","18:00:00",""
"4127819","10.2682","0.0004","25.7454","0.0011","10.526","0.0005","90","","96.999","0.003","90","","2761.9","0.2","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B Cl N2 O4 -","- C27 H34 B Cl N2 O4 -","- C108 H136 B4 Cl4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0673","0.0512","","","0.1473","0.1551","","","","","","1.394","","","","has coordinates","220991","2020-10-21","18:00:00",""
"4127820","17.9193","0.0014","6.1437","0.0004","14.5047","0.0011","90","","90","","90","","1596.8","0.2","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0546","0.0418","","","0.0742","0.0776","","","","","","1.462","","","","has coordinates","220992","2020-10-21","18:00:00",""
"4127821","9.5672","0.0011","3.2014","0.0005","6.104","0.0007","90","","90","","90","","186.96","0.04","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B Na2 P2 -","- B0.94 Na2 P2 -","- B1.88 Na4 P4 -","2","0.25","","Woo, Katherine E.; Wang, Jian; Mark, Justin; Kovnir, Kirill","Directing Boron-Phosphorus Bonds in Crystalline Solid: Oxidative Polymerization of P═B═P Monomers into 1D Chains.","Journal of the American Chemical Society","2019","141","33","13017","13021","10.1021/jacs.9b06803","","","0.71073","MoKα","","0.082","0.0505","","","0.1157","0.1275","","","","","","1.124","","","","has coordinates","220993","2020-10-21","18:00:00",""
"4127822","9.0087","0.0007","12.5422","0.001","9.4589","0.0007","90","","110.777","0.002","90","","999.25","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 -","- C11 H12 N4 -","- C44 H48 N16 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0576","0.039","","","0.0929","0.1028","","","","","","1.034","","","","has coordinates","220994","2020-10-21","18:00:00",""
"4127823","7.2034","0.0004","14.0718","0.0009","17.7298","0.001","90","","90","","90","","1797.18","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0821","0.0508","","","0.0908","0.1001","","","","","","1.018","","","","has coordinates","220995","2020-10-21","18:00:00",""
"4127824","22.6075","0.0003","14.13495","0.00015","24.5014","0.0003","90","","105.367","0.0012","90","","7549.65","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H266 K8 N32 O P8 -","- C116 H266 K8 N32 O0.5 P8 -","- C232 H532 K16 N64 O P16 -","2","0.5","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","x-ray","0.71073","MoKα","","0.055","0.0392","","","0.0996","0.1054","","","","","","1.048","","","","has coordinates,has disorder","220996","2020-10-21","18:00:00",""
"4127825","22.4833","0.0011","15.9381","0.0008","25.5112","0.0016","90","","114.512","0.002","90","","8317.8","0.8","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H138 K N16 O P4 Tb -","- C60 H138 K N16 O P4 Tb -","- C240 H552 K4 N64 O4 P16 Tb4 -","4","0.5","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0381","0.0327","","","0.0863","0.0889","","","","","","1.042","","","","has coordinates,has disorder","220997","2020-10-21","18:00:00",""
"4127826","24.279","0.005","14.385","0.003","23.002","0.005","90","","108.768","0.007","90","","7606","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H129 K N16 O P4 Tb -","- C64 H129 K N16 O P4 Tb -","- C256 H516 K4 N64 O4 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0977","0.0576","","","0.1097","0.1283","","","","","","1.026","","","","has coordinates","220998","2020-10-21","18:00:00",""
"4127827","13.2756","0.0008","13.2756","0.0008","21.077","0.003","90","","90","","90","","3714.6","0.6","107","2","107.43","","","","","","","","","5","I -4","I -4","82","","","","- C66 H152 N16 P4 Tb -","- C66 H152 N16 P4 Tb -","- C132 H304 N32 P8 Tb2 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.0375","0.0362","","","0.0721","0.073","","","","","","1.052","","","","has coordinates,has disorder","220999","2020-10-21","18:00:00",""
"4127828","22.587","0.003","15.454","0.002","25.702","0.004","90","","114.727","0.005","90","","8149","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H148 K N16 O2 P4 Tb -","- C64 H148 K N16 O2 P4 Tb -","- C256 H592 K4 N64 O8 P16 Tb4 -","4","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.","Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.","Journal of the American Chemical Society","2019","141","33","13222","13233","10.1021/jacs.9b06622","","","0.71073","MoKα","","0.1015","0.0846","","","0.1845","0.1944","","","","","","1.219","","","","has coordinates,has disorder","221000","2020-10-21","18:00:00",""
"4127829","7.0268","0.0003","7.1474","0.0003","24.4123","0.0009","87.164","0.003","86.258","0.003","68.098","0.004","1134.73","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 F N3 O4 S2 -","- C21 H28 F N3 O4 S2 -","- C42 H56 F2 N6 O8 S4 -","2","1","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.072","0.0559","","0.138","0.1305","0.1356","","","","","","1.0463","","","","has coordinates","221001","2020-10-21","18:00:00",""
"4127830","10.3058","0.0005","12.4812","0.0006","36.471","0.0019","90","","97.19","0.004","90","","4654.3","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 N3 O4 S2 -","- C19 H33 N3 O4 S2 -","- C152 H264 N24 O32 S16 -","8","2","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.1293","0.0875","","0.186","0.1699","0.1784","","","","","","1.0869","","","","has coordinates,has disorder","221002","2020-10-21","18:00:00",""
"4127831","11.0832","0.0004","11.576","0.0004","12.3004","0.0004","104.834","0.003","106.298","0.003","104.704","0.003","1371.07","0.1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 F N3 O4 S2 -","- C27 H32 F N3 O4 S2 -","- C54 H64 F2 N6 O8 S4 -","2","1","","Zhang, Ze-Xin; Davies, Thomas Q.; Willis, Michael C.","Modular Sulfondiimine Synthesis Using a Stable Sulfinylamine Reagent.","Journal of the American Chemical Society","2019","141","33","13022","13027","10.1021/jacs.9b06831","","","0.71073","MoKα","","0.0657","0.0487","","0.1297","0.1186","0.1297","","","","","","0.9668","","","","has coordinates","221003","2020-10-21","18:00:00",""
"4127832","13.8502","0.0006","13.9872","0.0006","14.9552","0.0006","68.9353","0.0013","84.644","0.0014","62.9903","0.0013","2400.19","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","AFM-I-062A","","","- C24.5 H14 Cl F8 Ir0.5 N2 O2 P0.5 -","- C24.5 H14 Cl F8 Ir0.5 N2 O2 P0.5 -","- C98 H56 Cl4 F32 Ir2 N8 O8 P2 -","4","2","","Morton, Carla M.; Zhu, Qilei; Ripberger, Hunter; Troian-Gautier, Ludovic; Toa, Zi S. D.; Knowles, Robert R.; Alexanian, Erik J.","C-H Alkylation via Multisite-Proton-Coupled Electron Transfer of an Aliphatic C-H Bond.","Journal of the American Chemical Society","2019","141","33","13253","13260","10.1021/jacs.9b06834","","","0.71073","MoKα","","0.0324","0.0263","","","0.0578","0.0601","","","","","","1.092","","","","has coordinates,has disorder","221004","2020-10-21","18:00:00",""
"4127833","37.888","0.002","37.888","0.002","54.616","0.004","90","","90","","120","","67898","7","250","2","250","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C110 H62 O12 -","- C110 H62 O12 -","- C660 H372 O72 -","6","0.5","","Li, Penghao; Chen, Zhijie; Ryder, Matthew R.; Stern, Charlotte L.; Guo, Qing-Hui; Wang, Xingjie; Farha, Omar K.; Stoddart, J. Fraser","Assembly of a Porous Supramolecular Polyknot from Rigid Trigonal Prismatic Building Blocks.","Journal of the American Chemical Society","2019","141","33","12998","13002","10.1021/jacs.9b06445","","","1.54178","CuKα","","0.0734","0.0376","","","0.1009","0.1319","","","","","","0.641","","","","has coordinates,has disorder","221005","2020-10-21","18:00:00",""
"4127834","32.668","0.002","17.4136","0.0013","37.113","0.003","90","","99.1282","0.0014","90","","20845","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C408 H952 Ag132 O136 P68 Pt8 S136 -","4","0.5","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0578","0.046","","","0.0993","0.1055","","","","","","1.143","","","","has coordinates","221006","2020-10-21","18:00:00",""
"4127835","19.7461","0.0004","42.9207","0.0009","32.3401","0.0006","90","","96.5225","0.0005","90","","27231.4","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C132 H308 Ag44 O44 P22 Pt3 S44 -","- C132 H308 Ag44 O44 P22 Pt3 S44 -","- C528 H1232 Ag176 O176 P88 Pt12 S176 -","4","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0447","0.0282","","","0.054","0.0599","","","","","","1.035","","","","has coordinates,has disorder","221007","2020-10-21","18:00:00",""
"4127836","30.0959","0.0009","17.3885","0.0006","29.7671","0.0009","90","","109.472","0.001","90","","14686.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag20 O24 P12 Pt S24 -","- C75 H175 Ag20 O24 P12 Pt S24 -","- C300 H700 Ag80 O96 P48 Pt4 S96 -","4","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne<sub>2</sub> and I<sub>3</sub><sup/>.","Journal of the American Chemical Society","2019","141","33","12957","12961","10.1021/jacs.9b05000","","","0.71073","MoKα","","0.0735","0.0409","","","0.0796","0.0937","","","","","","1.023","","","","has coordinates,has disorder","221008","2020-10-21","18:00:00",""
"4127837","10.9617","0.0003","13.0994","0.0004","12.8416","0.0004","90","","91.757","0.001","90","","1843.08","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 Tb -","- C40 H70 Tb -","- C80 H140 Tb2 -","2","0.5","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.0349","0.0299","","","0.074","0.0796","","","","","","1.077","","","","has coordinates","221009","2020-10-21","18:00:00",""
"4127838","15.2155","0.0006","23.1873","0.0009","16.8829","0.0007","90","","90.943","0.001","90","","5955.6","0.4","100","2","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B F20 Tb -","- C64 H70 B F20 Tb -","- C256 H280 B4 F80 Tb4 -","4","1","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.0716","0.0563","","","0.1506","0.1632","","","","","","1.018","","","","has coordinates,has disorder","221010","2020-10-21","18:00:00",""
"4127839","11.02","0.0005","13.0196","0.0006","12.8467","0.0008","90","","91.917","0.005","90","","1842.16","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H70 Dy -","- C40 H70 Dy -","- C80 H140 Dy2 -","2","0.5","","Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.","Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).","Journal of the American Chemical Society","2019","141","33","12967","12973","10.1021/jacs.9b05816","","","0.71073","MoKα","","0.061","0.0522","","","0.1164","0.1216","","","","","","1.077","","","","has coordinates","221011","2020-10-21","18:00:00",""
"4127840","14.4891","0.0001","18.8696","0.0002","8.5264","0.0001","90","","90","","90","","2331.15","0.04","85","2","85","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 B D6 F N8 Ni -","- C25 H18 B D6 F N8 Ni -","- C100 H72 B4 D24 F4 N32 Ni4 -","4","0.5","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54184","CuKα","","0.0304","0.0303","","","0.0761","0.0762","","","","","","1.104","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127841","9.2604","0.0005","9.8874","0.0007","22.7259","0.0012","83.059","0.005","84.064","0.004","89.979","0.005","2054.3","0.2","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 Ni O -","- C26 H24 N2 Ni O -","- C104 H96 N8 Ni4 O4 -","4","2","","Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.","Journal of the American Chemical Society","2019","141","33","13261","13267","10.1021/jacs.9b06896","","","1.54178","CuKα","","0.0612","0.0467","","","0.1211","0.1257","","","","","","1.041","","","","has coordinates","221012","2020-10-21","18:00:00",""
"4127842","13.45292","0.0001","17.12816","0.00013","23.425","0.0002","90","","90","","90","","5397.68","0.07","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H44 Cr F18 N6 O3 P3 -","- C52 H44 Cr F18 N6 O3 P3 -","- C208 H176 Cr4 F72 N24 O12 P12 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0915","0.0924","","","","","","1.028","","","","has coordinates,has disorder","221013","2020-10-21","18:00:00",""
"4127843","11.1216","0.0004","13.142","0.0004","17.3331","0.0007","86.51","0.003","80.088","0.003","84.768","0.003","2482.56","0.16","180","2","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H33 Cr F9 N7 O9 S3 -","- C51 H33 Cr F9 N7 O9 S3 -","- C102 H66 Cr2 F18 N14 O18 S6 -","2","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","","1.54184","CuKα","","0.0371","0.035","","","0.094","0.0962","","","","","","1.0434","","","","has coordinates","221014","2020-10-21","18:00:00",""
"4127844","18.123","0.0008","18.123","0.0008","11.2238","0.0007","90","","90","","120","","3192.5","0.3","298","","298","","","","","","","","","5","P 32","P 32","145","","","MUV-11","- C28.21 H25.82 N7.4 O13.4 Ti2 -","- C28.209 H25.821 N7.403 O13.403 Ti2 -","- C84.627 H77.4629 N22.209 O40.209 Ti6 -","3","1","","Padial, Natalia M.; Castells-Gil, Javier; Almora-Barrios, Neyvis; Romero-Angel, María; da Silva, Iván; Barawi, Mariam; García-Sánchez, Alba; de la Peña O'Shea, Víctor A; Martí-Gastaldo, Carlos","Hydroxamate Titanium-Organic Frameworks and the Effect of Siderophore-Type Linkers over Their Photocatalytic Activity.","Journal of the American Chemical Society","2019","141","33","13124","13133","10.1021/jacs.9b04915","powder diffraction","","0.41307","synchrotron","","0.426454","","","","","","","","1.27354","","","","","","","has coordinates","221015","2020-10-21","18:00:00",""
"4127845","8.4379","0.0004","11.3975","0.0005","28.3831","0.0013","90","","90","","90","","2729.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C128 H164 N4 O16 S4 -","4","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0378","0.0329","","","0.0749","0.0768","","","","","","1.044","","","","has coordinates","221016","2020-10-21","18:00:00",""
"4127846","9.5539","0.0004","12.1097","0.0005","12.261","0.0005","96.913","0.001","94.194","0.001","99.17","0.001","1384.04","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C64 H82 N2 O8 S2 -","2","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0477","0.0375","","","0.0918","0.0982","","","","","","1.028","","","","has coordinates","221017","2020-10-21","18:00:00",""
"4127847","21.4691","0.0005","21.4691","0.0005","6.848","0.0002","90","","90","","120","","2733.52","0.12","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(2-ampd)1.76(C7H8)0.79","","","- C30.09 H36.96 N3.52 O6 Zn2 -","- C30.069 H39.297 N3.76 O6 Zn2 -","- C90.207 H117.891 N11.28 O18 Zn6 -","3","0.5","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0474","0.0371","","","0.0915","0.0973","","","","","","1.061","","","","has coordinates,has disorder","221018","2020-10-21","18:00:00",""
"4127848","5.0969","0.0003","18.5652","0.0011","8.4393","0.0005","90","","102.214","0.004","90","","780.49","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ampd-CO2","","","- C7 H14 N2 O2 -","- C7 H14 N2 O2 -","- C28 H56 N8 O8 -","4","1","","Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.","Water Enables Efficient CO<sub>2</sub> Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","33","13171","13186","10.1021/jacs.9b05567","","","0.7288","synchrotron","","0.0643","0.0522","","","0.1291","0.1362","","","","","","1.127","","","","has coordinates","221019","2020-10-21","18:00:00",""
"4127849","6.30661","0.00005","8.76884","0.00007","31.4352","0.0002","90","","90","","90","","1738.42","0.02","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F N2 O S -","- C20 H19 F N2 O S -","- C80 H76 F4 N8 O4 S4 -","4","1","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0672","0.0675","","","","","","1.051","","","","has coordinates,has disorder","221020","2020-10-21","18:00:00",""
"4127850","13.63616","0.00009","8.38855","0.00005","15.53968","0.0001","90","","107.817","0.0007","90","","1692.3","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O2 S -","- C19 H16 F N O2 S -","- C76 H64 F4 N4 O8 S4 -","4","2","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","","1.54184","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.046","","","","has coordinates","221021","2020-10-21","18:00:00",""
"4127851","16.025","0.0006","26.0513","0.0008","32.5801","0.0011","90","","102.513","0.004","90","","13278.2","0.8","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H134 F2 Fe K2 O16 S2 -","- C88 H134 F2 Fe K2 O16 S2 -","- C352 H536 F8 Fe4 K8 O64 S8 -","4","1","","Speelman, Amy L.; Čorić, Ilija; Van Stappen, Casey; DeBeer, Serena; Mercado, Brandon Q.; Holland, Patrick L.","Nitrogenase-Relevant Reactivity of a Synthetic Iron-Sulfur-Carbon Site.","Journal of the American Chemical Society","2019","141","33","13148","13157","10.1021/jacs.9b05353","","","0.71073","MoKα","","0.0963","0.0602","","","0.1513","0.1696","","","","","","1.036","","","","has coordinates,has disorder","221022","2020-10-21","18:00:00",""
"4127852","6.072","0.0006","6.072","0.0006","3.469","0.0003","90","","90","","120","","110.764","0.018","100","","100","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- B4.27 K O3 -","- B4.27 K O3 -","- B4.27 K O3 -","1","0.0833333","","Kambe, Tetsuya; Hosono, Reina; Imaoka, Shotaro; Kuzume, Akiyoshi; Yamamoto, Kimihisa","Solution Phase Mass Synthesis of 2D Atomic Layer with Hexagonal Boron Network.","Journal of the American Chemical Society","2019","141","33","12984","12988","10.1021/jacs.9b06110","","","1.54184","CuKα","","0.0992","0.0992","","","0.2218","0.2218","","","","","","1.323","","","","has coordinates,has disorder","221023","2020-10-21","18:00:00",""
"4127853","20.0504","0.001","23.9374","0.001","38.7986","0.0018","90","","92.015","0.003","90","","18610","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C80","N,N',N'',N''',N''''-pentakis(2,6-diisopropylphenyl)pentanaphtho [3,4,4a,5,6-bcde:3,4,4a,5,6-ghij:3,4,4a,5,6-lmno:3,4,4a,5,6- qrst:3,4,4a,5,6-vwxy]circumcorannulene-4,5:8,9:1,20:12,13:16,17- pentakis(dicarboximide)","","- C140 H95 N5 O10 -","- C140 H95 N5 O10 -","- C560 H380 N20 O40 -","4","1","","Shoyama, Kazutaka; Würthner, Frank","Synthesis of a Carbon Nanocone by Cascade Annulation.","Journal of the American Chemical Society","2019","141","33","13008","13012","10.1021/jacs.9b06617","","","1.54178","CuKα","","0.1228","0.0857","","","0.2454","0.2709","","","","","","0.971","","","","has coordinates,has disorder","221024","2020-10-21","18:00:00",""
"4127854","20.0998","0.0009","23.9062","0.001","38.7241","0.0016","90","","91.72","0.002","90","","18598.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C80","N,N',N'',N''',N'''-pentakis(2,6-diisopropylphenyl)pentanaphtho [3,4,4a,5,6-bcde:3,4,4a,5,6-ghij:3,4,4a,5,6-lmno:3,4,4a,5,6- qrst:3,4,4a,5,6-vwxy]circumcorannulene-4,5:8,9:1,20:12,13:16,17- pentakis(dicarboximide)","","- C140 H95 N5 O10 -","- C140 H95 N5 O10 -","- C560 H380 N20 O40 -","4","1","","Shoyama, Kazutaka; Würthner, Frank","Synthesis of a Carbon Nanocone by Cascade Annulation.","Journal of the American Chemical Society","2019","141","33","13008","13012","10.1021/jacs.9b06617","","","1.54184","CuKα","","0.1199","0.1007","","","0.3224","0.3459","","","","","","1.31","","","","has coordinates,has disorder","221025","2020-10-21","18:00:00",""
"4127855","11.2241","0.0007","9.8503","0.0006","22.2709","0.0015","90","","103.062","0.002","90","","2398.6","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Al2 Fe2 N6 P4 -","- C38 H84 Al2 Fe2 N6 P4 -","- C76 H168 Al4 Fe4 N12 P8 -","2","0.5","","Gorgas, Nikolaus; Brünig, Julian; Stöger, Berthold; Vanicek, Stefan; Tilset, Mats; Veiros, Luis F.; Kirchner, Karl","Efficient <i>Z</i>-Selective Semihydrogenation of Internal Alkynes Catalyzed by Cationic Iron(II) Hydride Complexes.","Journal of the American Chemical Society","2019","141","43","17452","17458","10.1021/jacs.9b09907","","","0.71073","MoKα","","0.0406","0.0289","","","0.065","0.0696","","","","","","1.034","","","","has coordinates","221026","2020-10-21","18:00:00",""
"4127856","8.8912","0.0004","10.7973","0.0005","17.3448","0.0008","85.1139","0.0009","81.5333","0.0009","85.7835","0.001","1637.84","0.13","200","2","200","2","","","","","","","","8","P -1","-P 1","2","1a in manuscript","","","- C32 H23 Au F6 N3 O4 P S2 -","- C32 H23 Au F6 N3 O4 P S2 -","- C64 H46 Au2 F12 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0385","0.0288","","","0.0584","0.0619","","","","","","1.024","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127857","11.1523","0.0005","13.0973","0.0005","14.0183","0.0006","102.786","0.0007","96.5595","0.0007","108.893","0.0007","1850.49","0.14","200","2","200","2","","","","","","","","9","P -1","-P 1","2","1e in manuscript","","","- C32.5 H42 Au Cl F6 N3 O4 P S2 -","- C32.5 H42 Au Cl F6 N3 O4 P S2 -","- C65 H84 Au2 Cl2 F12 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0276","0.0233","","","0.0516","0.0531","","","","","","1.031","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127858","9.1615","0.0007","14.317","0.0012","14.4405","0.0012","83.4496","0.0013","89.4637","0.0012","71.5878","0.0012","1784.7","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","1d in manuscript","","","- C32 H8 Au F21 N3 O4 P S2 -","- C32 H8 Au F21 N3 O4 P S2 -","- C64 H16 Au2 F42 N6 O8 P2 S4 -","2","1","","Yang, Yangyang; Eberle, Lukas; Mulks, Florian F.; Wunsch, Jonas F.; Zimmer, Marc; Rominger, Frank; Rudolph, Matthias; Hashmi, A Stephen K","Trans Influence of Ligands on the Oxidation of Gold(I) Complexes.","Journal of the American Chemical Society","2019","141","43","17414","17420","10.1021/jacs.9b09363","","","0.71073","MoKα","","0.0611","0.0383","","","0.07","0.0773","","","","","","1.024","","","","has coordinates,has disorder","221027","2020-10-21","18:00:00",""
"4127859","11.2674","0.0005","12.9976","0.0005","22.3812","0.0011","90","","91.927","0.002","90","","3275.9","0.3","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H91 Cl O12 -","- C73 H91 Cl O12 -","- C146 H182 Cl2 O24 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.0876","0.0622","","","0.1624","0.1852","","","","","","1.049","","","","has coordinates,has disorder","221028","2020-10-21","18:00:00",""
"4127860","11.6711","0.0004","21.551","0.0006","23.8501","0.0008","90","","95.321","0.001","90","","5973","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C131 H164 Cl3 O20 -","- C131 H164 Cl3 O20 -","- C262 H328 Cl6 O40 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.0944","0.0672","","","0.1723","0.1885","","","","","","1.075","","","","has coordinates","221029","2020-10-21","18:00:00",""
"4127861","11.607","0.003","12.917","0.003","22.363","0.005","90","","91.31","0.008","90","","3352","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H92 Cl O12 -","- C73 H92 Cl O12 -","- C146 H184 Cl2 O24 -","2","0.5","","Wang, Mengbin; Zhou, Jiong; Li, Errui; Zhou, Yujuan; Li, Qing; Huang, Feihe","Separation of Monochlorotoluene Isomers by Nonporous Adaptive Crystals of Perethylated Pillar[5]arene and Pillar[6]arene.","Journal of the American Chemical Society","2019","141","43","17102","17106","10.1021/jacs.9b09988","","","0.71073","MoKα","","0.1492","0.0723","","","0.1851","0.2287","","","","","","1.017","","","","has coordinates","221030","2020-10-21","18:00:00",""
"4127862","11.8197","0.0018","31.293","0.005","13.219","0.002","90","","113.124","0.002","90","","4496.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl N2 O P Ru -","- C48 H66 Cl N2 O P Ru -","- C192 H264 Cl4 N8 O4 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.063","0.0528","","","0.1068","0.1105","","","","","","1.144","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127863","12.1661","0.0018","31.114","0.005","13.1588","0.0019","90","","112.777","0.002","90","","4592.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl N2 O3 P Ru -","- C48 H66 Cl N2 O3 P Ru -","- C192 H264 Cl4 N8 O12 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0614","0.0512","","","0.1074","0.1115","","","","","","1.108","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127864","12.713","0.0011","15.2477","0.0013","25.438","0.002","90","","90.415","0.001","90","","4930.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 Cl N2 O P Ru -","- C54 H78 Cl N2 O P Ru -","- C216 H312 Cl4 N8 O4 P4 Ru4 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0492","0.0376","","","0.0827","0.0883","","","","","","1.013","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127865","6.0959","0.0007","16.8166","0.0018","21.65","0.002","90","","90","","90","","2219.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 B2 N4 -","- C28 H22 B2 N4 -","- C112 H88 B8 N16 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0453","0.0375","","","0.083","0.0874","","","","","","1.065","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127866","8.6383","0.0007","13.5782","0.0012","26.556","0.002","90","","90","","90","","3114.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 B N2 O -","- C19 H17 B N2 O -","- C152 H136 B8 N16 O8 -","8","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0448","0.0365","","","0.0929","0.0987","","","","","","1.034","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127867","7.4717","0.0008","12.2883","0.0013","19.718","0.002","90","","90","","90","","1810.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 B N2 -","- C24 H19 B N2 -","- C96 H76 B4 N8 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0429","0.037","","","0.0781","0.0812","","","","","","1.051","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127868","9.1502","0.0007","14.1459","0.0011","19.8419","0.0015","93.566","0.001","99.448","0.001","107.108","0.001","2404.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H70 B Cl N4 O P Ru -","- C53 H70 B Cl N4 O P Ru -","- C106 H140 B2 Cl2 N8 O2 P2 Ru2 -","2","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0329","0.0281","","","0.0645","0.0669","","","","","","1.027","","","","has coordinates,has disorder","221031","2020-10-21","18:00:00",""
"4127869","21.4308","0.0005","16.6188","0.0004","15.7436","0.0004","90","","109.082","0.002","90","","5299","0.2","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Cl N6 -","- C56 H74 Cl N6 -","- C224 H296 Cl4 N24 -","4","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0737","0.0582","","","0.1729","0.1841","","","","","","1.065","","","","has coordinates,has disorder","221032","2020-10-21","18:00:00",""
"4127870","12.2031","0.0004","16.0891","0.0005","19.0062","0.0005","105.338","0.002","96.22","0.003","107.663","0.003","3356.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 I N6 -","- C56 H74 I N6 -","- C112 H148 I2 N12 -","2","1","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","0.71073","MoKα","","0.0854","0.0525","","","0.119","0.1321","","","","","","1.025","","","","has coordinates","221033","2020-10-21","18:00:00",""
"4127871","11.9866","0.0004","12.3158","0.0005","12.5454","0.0005","70.545","0.003","88.449","0.003","61.047","0.004","1507.67","0.13","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H74 F6 N7 O4 S2 -","- C58 H74 F6 N7 O4 S2 -","- C58 H74 F6 N7 O4 S2 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0414","0.038","","","0.1","0.1028","","","","","","1.031","","","","has coordinates,has disorder","221034","2020-10-21","18:00:00",""
"4127872","12.0287","0.0006","12.3634","0.0006","12.9443","0.0007","69.42","0.005","63.201","0.005","84.213","0.004","1604.77","0.17","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 Br6 N6 -","- C56 H74 Br6 N6 -","- C56 H74 Br6 N6 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0326","0.0279","","","0.0744","0.0776","","","","","","1.066","","","","has coordinates","221035","2020-10-21","18:00:00",""
"4127873","7.56119","0.00015","11.3903","0.0002","20.3054","0.0005","90","","91.984","0.002","90","","1747.74","0.06","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N6 -","- C40 H42 N6 -","- C80 H84 N12 -","2","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.042","0.0355","","","0.0933","0.0987","","","","","","1.019","","","","has coordinates","221036","2020-10-21","18:00:00",""
"4127874","21.6261","0.0004","16.5623","0.0003","15.8057","0.0003","90","","109.832","0.002","90","","5325.49","0.18","140","0.1","140","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Br N6 -","- C56 H74 Br N6 -","- C224 H296 Br4 N24 -","4","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.0401","0.0358","","","0.0935","0.0972","","","","","","1.043","","","","has coordinates","221037","2020-10-21","18:00:00",""
"4127875","10.6944","0.0006","11.7002","0.0006","12.5558","0.0006","90.074","0.004","113.25","0.005","113.203","0.005","1303.65","0.15","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H74 N6 -","- C56 H74 N6 -","- C56 H74 N6 -","1","0.5","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","0.71073","MoKα","","0.0823","0.0578","","","0.1384","0.1558","","","","","","1.026","","","","has coordinates","221038","2020-10-21","18:00:00",""
"4127876","12.2645","0.0007","16.6638","0.0008","17.0136","0.0006","75.75","0.004","79.343","0.004","89.726","0.004","3309","0.3","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59.1 H79.2 Cl7.2 N6 O -","- C59.099 H79.198 Cl7.198 N6 O -","- C118.198 H158.396 Cl14.396 N12 O2 -","2","1","","Eymann, Léonard Y M; Varava, Paul; Shved, Andrei M.; Curchod, Basile F. E.; Liu, Yizhu; Planes, Ophélie M; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay","Synthesis of Organic Super-Electron-Donors by Reaction of Nitrous Oxide with N-Heterocyclic Olefins.","Journal of the American Chemical Society","2019","141","43","17112","17116","10.1021/jacs.9b10660","","x-ray","1.54184","CuKα","","0.1021","0.0797","","","0.233","0.2596","","","","","","1.027","","","","has coordinates,has disorder","221039","2020-10-21","18:00:00",""
"4127877","13.8448","0.0012","16.4625","0.0014","17.3541","0.0012","93.264","0.002","112.887","0.002","110.651","0.002","3322.3","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N O4 Rh -","- C34 H54 N O4 Rh -","- C136 H216 N4 O16 Rh4 -","4","2","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.044","0.0367","","","0.0921","0.0973","","","","","","1.038","","","","has coordinates,has disorder","221040","2020-10-21","18:00:00",""
"4127878","10.8366","0.0009","7.2939","0.0005","18.1455","0.0014","90","","103.068","0.003","90","","1397.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.038","0.0361","","","0.1025","0.1044","","","","","","1.044","","","","has coordinates","221041","2020-10-21","18:00:00",""
"4127879","12.3525","0.0004","10.3586","0.0004","14.6863","0.0005","90","","90.724","0.001","90","","1879.03","0.11","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N O3 Rh -","- C20 H26 N O3 Rh -","- C80 H104 N4 O12 Rh4 -","4","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0173","0.017","","","0.0437","0.0438","","","","","","1.113","","","","has coordinates,has disorder","221042","2020-10-21","18:00:00",""
"4127880","9.106","0.0007","9.2582","0.0008","10.3645","0.0009","98.353","0.003","93.614","0.004","116.367","0.002","766.51","0.11","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0422","0.0394","","","0.1069","0.1084","","","","","","1.039","","","","has coordinates","221043","2020-10-21","18:00:00",""
"4127881","10.1827","0.0005","14.0724","0.0009","14.7798","0.001","62.265","0.002","71.938","0.002","84.034","0.002","1780.12","0.19","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N O Rh -","- C18 H23 Cl N O Rh -","- C72 H92 Cl4 N4 O4 Rh4 -","4","2","","Kong, Wei-Jun; Finger, Lars H.; Messinis, Antonis M.; Kuniyil, Rositha; Oliveira, João C A; Ackermann, Lutz","Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C-H Activation: Mechanistic Support for Rhodium(III/IV).","Journal of the American Chemical Society","2019","141","43","17198","17206","10.1021/jacs.9b07763","","","0.71073","MoKα","","0.0159","0.0156","","","0.0427","0.0429","","","","","","1.048","","","","has coordinates","221044","2020-10-21","18:00:00",""
"4127882","4.4704","0.0006","4.4704","0.0006","9.634","0.0017","90","","90","","90","","192.53","0.05","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba F Mn0.5 Te -","- Ba F Mn0.5 Te -","- Ba2 F2 Mn Te2 -","2","0.125","","Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.","Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence.","Journal of the American Chemical Society","2019","141","43","17421","17430","10.1021/jacs.9b09382","","x-ray","0.71073","MoKα","","0.0484","0.0468","","","0.1366","0.1368","","","","5.87","5.87","5.61","","","","has coordinates","221045","2020-10-21","18:00:00",""
"4127883","6.3205","0.0012","6.3233","0.001","9.6379","0.0017","90","","90","","90","","385.19","0.12","293","","293","","","","","","","","","4","C m m a","-C 2a 2","67","","","","- Ba F Mn0.5 Te -","- Ba F Mn0.5 Te -","- Ba4 F4 Mn2 Te4 -","4","0.25","","Chen, Haijie; McClain, Rebecca; He, Jiangang; Zhang, Chi; Olding, Jack N.; Dos Reis, Roberto; Bao, Jin-Ke; Hadar, Ido; Spanopoulos, Ioannis; Malliakas, Christos D.; He, Yihui; Chung, Duck Young; Kwok, Wai-Kwong; Weiss, Emily A.; Dravid, Vinayak P.; Wolverton, Christopher; Kanatzidis, Mercouri G.","Antiferromagnetic Semiconductor BaFMn<sub>0.5</sub>Te with Unique Mn Ordering and Red Photoluminescence.","Journal of the American Chemical Society","2019","141","43","17421","17430","10.1021/jacs.9b09382","","x-ray","0.71073","MoKα","","0.077","0.0614","","","0.1689","0.1728","","","","5.36","5.36","4.67","","","","has coordinates","221046","2020-10-21","18:00:00",""
"4127884","9.0147","0.0003","17.1183","0.0005","8.4172","0.0003","90","","99.812","0.001","90","","1279.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NB11-3","","","- C14 H10 Br2 N2 -","- C14 H10 Br2 N2 -","- C56 H40 Br8 N8 -","4","1","","Maier, Martin S.; Hüll, Katharina; Reynders, Martin; Matsuura, Bryan S.; Leippe, Philipp; Ko, Tongil; Schäffer, Lukas; Trauner, Dirk","Oxidative Approach Enables Efficient Access to Cyclic Azobenzenes.","Journal of the American Chemical Society","2019","141","43","17295","17304","10.1021/jacs.9b08794","","","0.71073","MoKα","","0.0328","0.0235","","","0.046","0.0488","","","","","","1.034","","","","has coordinates","221047","2020-10-21","18:00:00",""
"4127885","10.3683","0.0001","9.1163","0.0001","19.1021","0.0002","90","","90.706","0.001","90","","1805.4","0.03","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 Ni O -","- C22 H17 N3 Ni O -","- C88 H68 N12 Ni4 O4 -","4","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54178","CuKα","","0.0313","0.0309","","","0.0874","0.0879","","","","","","1.008","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127886","8.4096","0.0003","11.3752","0.0004","11.9729","0.0004","95.466","0.003","107.282","0.003","92.626","0.003","1085.34","0.07","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F3 N3 Ni O3 -","- C24 H17 F3 N3 Ni O3 -","- C48 H34 F6 N6 Ni2 O6 -","2","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0404","0.0385","","","0.1058","0.1081","","","","","","1.044","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127887","9.9239","0.0003","10.4834","0.0003","17.205","0.0004","95.269","0.002","90.932","0.002","93.893","0.002","1777.81","0.09","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 Ni O -","- C20 H21 N3 Ni O -","- C80 H84 N12 Ni4 O4 -","4","2","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0385","0.0373","","","0.1018","0.1041","","","","","","1.014","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127888","9.5689","0.0002","17.9404","0.0003","13.1615","0.0003","90","","101.756","0.002","90","","2212.04","0.08","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 F3 N3 Ni O4 S -","- C21 H21 F3 N3 Ni O4 S -","- C84 H84 F12 N12 Ni4 O16 S4 -","4","1","","Roy, Pronay; Bour, James R.; Kampf, Jeff W.; Sanford, Melanie S.","Catalytically Relevant Intermediates in the Ni-Catalyzed C(sp<sup>2</sup>)-H and C(sp<sup>3</sup>)-H Functionalization of Aminoquinoline Substrates.","Journal of the American Chemical Society","2019","141","43","17382","17387","10.1021/jacs.9b09109","","","1.54184","CuKα","","0.0435","0.0407","","","0.1111","0.1159","","","","","","1.096","","","","has coordinates","221048","2020-10-21","18:00:00",""
"4127889","32.0583","0.0008","32.0583","0.0008","11.503","0.0003","90","","90","","120","","10238.2","0.4","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C33.1 H51.9 N3.7 O15.7 S2 Zn4 -","- C28 H26 N2 O12 S2 Zn4 -","- C252 H234 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0711","0.074","","","","","","1.061","","","","has coordinates,has disorder","221049","2020-10-21","18:00:00",""
"4127890","31.7477","0.0014","31.7477","0.0014","11.6653","0.0007","90","","90","","120","","10182.4","0.9","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29.5 H43.5 N4.5 O15.5 S2 Zn4 -","- C22 H24 N2 O12 S2 Zn4 -","- C198 H216 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.089","0.061","","","0.1805","0.1955","","","","","","1.079","","","","has coordinates,has disorder","221050","2020-10-21","18:00:00",""
"4127891","31.8116","0.0009","31.8116","0.0009","11.6096","0.0004","90","","90","","120","","10174.6","0.5","130","2","130","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C31.4 H48.6 N3.8 O15.8 S2 Zn4 -","- C26 H26 N2 O12 S2 Zn4 -","- C234 H234 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","x-ray","0.71073","MoKα","","0.0381","0.0318","","","0.0866","0.0892","","","","","","1.055","","","","has coordinates,has disorder","221051","2020-10-21","18:00:00",""
"4127892","31.7683","0.0006","31.7683","0.0006","11.8414","0.0004","90","","90","","120","","10349.6","0.4","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C29.7 H43.3 N3.9 O14.9 S2 Zn4 -","- C24 H30 N2 O12 S2 Zn4 -","- C216 H270 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.80246","synchrotron","","0.0897","0.0774","","","0.207","0.2213","","","","","","1.022","","","","has coordinates","221052","2020-10-21","18:00:00",""
"4127893","31.514","0.004","31.514","0.004","11.918","0.002","90","","90","","120","","10250","3","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C28 H30 N2 O12 S2 Zn4 -","- C28.0012 H30.0012 N2 O12 S2 Zn4 -","- C252.011 H270.011 N18 O108 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.79272","synchrotron","","0.0754","0.073","","","0.2183","0.2204","","","","","","1.051","","","","has coordinates,has disorder","221053","2020-10-21","18:00:00",""
"4127894","32.0133","0.0005","32.0133","0.0005","11.7265","0.0003","90","","90","","120","","10407.8","0.4","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C27 H43 N3 O19 S2 Zn4 -","- C24 H21 N2 O14 S2 Zn4 -","- C216 H189 N18 O126 S18 Zn36 -","9","0.25","","Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.","Journal of the American Chemical Society","2019","141","43","17260","17269","10.1021/jacs.9b08322","","","0.80246","synchrotron","","0.0819","0.0604","","","0.1876","0.205","","","","","","1.12","","","","has coordinates,has disorder","221054","2020-10-21","18:00:00",""
"4127895","10.5503","0.0009","12.1072","0.001","13.3222","0.0011","65.534","0.004","75.342","0.004","83.721","0.004","1498.5","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H41 B F Fe N6 O0.5 -","- C29 H41 B F Fe N6 O0.5 -","- C58 H82 B2 F2 Fe2 N12 O -","2","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0469","0.0449","","0.1227","0.1212","0.1226","","","","","","1.0625","","","","has coordinates","221055","2020-10-21","18:00:00",""
"4127896","9.86","0.0005","17.8237","0.001","16.2023","0.0008","90","","91.967","0.003","90","","2845.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 B Fe N6 O -","- C28 H41 B Fe N6 O -","- C112 H164 B4 Fe4 N24 O4 -","4","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0398","0.0332","","","0.0936","0.0967","","","","","","1.151","","","","has coordinates","221055","2020-10-21","18:00:00",""
"4127897","21.4652","0.0009","17.9517","0.0008","9.739","0.0004","90","","90","","90","","3752.8","0.3","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H54 B Fe N7 O2 -","- C36 H54 B Fe N7 O2 -","- C144 H216 B4 Fe4 N28 O8 -","4","0.5","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0771","0.0724","","0.2152","0.2083","0.2152","","","","","","1.014","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127898","20.9751","0.0008","16.3031","0.0007","20.4833","0.0006","90","","106.287","0.0012","90","","6723.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68.78 H103.55 B Fe Mo N10 O0.23 -","- C68.775 H103.55 B Fe Mo N10 O0.225 -","- C275.1 H414.2 B4 Fe4 Mo4 N40 O0.9 -","4","1","","Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.","Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.","Journal of the American Chemical Society","2019","141","43","17092","17097","10.1021/jacs.9b09445","","","0.71073","MoKα","","0.0606","0.0411","","","0.0787","0.088","","","","","","1.048","","","","has coordinates,has disorder","221055","2020-10-21","18:00:00",""
"4127899","12.2219","0.0012","12.1044","0.0012","14.6671","0.0011","90","","98.924","0.003","90","","2143.6","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br F3 I N O4 S -","- C18 H18 Br F3 I N O4 S -","- C72 H72 Br4 F12 I4 N4 O16 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","0.71073","MoKα","","0.0412","0.0329","","","0.0754","0.0794","","","","","","1.043","","","","has coordinates","221056","2020-10-21","18:00:00",""
"4127900","14.5382","0.0005","8.2269","0.0002","14.7591","0.0004","90","","100.535","0.002","90","","1735.5","0.09","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C76 H68 Br2 N10 O12 S2 -","2","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0364","0.0349","","","0.089","0.09","","","","","","1.071","","","","has coordinates","221058","2020-10-21","18:00:00",""
"4127901","7.6634","0.0002","16.5163","0.0003","27.5414","0.0005","90","","90","","90","","3485.94","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C152 H136 Br4 N20 O24 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0378","0.0363","","","0.0902","0.0911","","","","","","1.035","","","","has coordinates","221059","2020-10-21","18:00:00",""
"4127902","7.9247","0.0004","10.0883","0.0005","13.7799","0.0007","90","","99.202","0.001","90","","1087.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0245","0.0244","","","0.0668","0.0669","","","","","","1.02","","","","has coordinates","221060","2020-10-21","18:00:00",""
"4127903","11.9855","0.0013","7.8837","0.0009","16.321","0.0018","90","","90.079","0.002","90","","1542.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","2","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.033","0.0327","","","0.0828","0.087","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4127904","8.1622","0.0004","7.4452","0.0003","18.6526","0.0008","90","","93.348","0.001","90","","1131.57","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C54 H50 N2 O8 S2 -","2","1","","Lu, Shenci; Ong, Jun-Yang; Yang, Hui; Poh, Si Bei; Liew, Xi; Seow, Chwee San Deborah; Wong, Ming Wah; Zhao, Yu","Diastereo- and Atroposelective Synthesis of Bridged Biaryls Bearing an Eight-Membered Lactone through an Organocatalytic Cascade.","Journal of the American Chemical Society","2019","141","43","17062","17067","10.1021/jacs.9b08510","","","1.54178","CuKα","","0.0259","0.0254","","","0.0637","0.0641","","","","","","1.061","","","","has coordinates","221062","2020-10-21","18:00:00",""
"4127905","14.5301","0.0005","17.9356","0.0006","17.9411","0.0007","90","","106.686","0.001","90","","4478.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","17237CE","","","- C46 H61 Cl Cu N4 O4 -","- C46 H61 Cl Cu N4 O4 -","- C184 H244 Cl4 Cu4 N16 O16 -","4","1","","Mandal, Mukunda; Elwell, Courtney E.; Bouchey, Caitlin J.; Zerk, Timothy J.; Tolman, William B.; Cramer, Christopher J.","Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?","Journal of the American Chemical Society","2019","141","43","17236","17244","10.1021/jacs.9b08109","","","0.71073","MoKα","","0.1695","0.0714","","","0.1733","0.2494","","","","","","1.059","","","","has coordinates,has disorder","221063","2020-10-21","18:00:00",""
"4127906","10.0143","0.0003","10.1957","0.0003","11.7671","0.0003","107.939","0.001","92.935","0.001","116.211","0.001","1000.53","0.05","303","2","303.06","","","","","","","","","6","P 1","P 1","1","","","","- C22 H17 Br F3 N O -","- C22 H17 Br F3 N O -","- C44 H34 Br2 F6 N2 O2 -","2","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0613","0.0505","","","0.1315","0.1421","","","","","","1.036","","","","has coordinates","221064","2020-10-21","18:00:00",""
"4127907","10.2427","0.0001","17.1382","0.0002","17.4927","0.0002","90","","90","","90","","3070.69","0.06","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F4 N O -","- C17 H15 F4 N O -","- C136 H120 F32 N8 O8 -","8","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0495","0.0403","","","0.0873","0.0931","","","","","","1.076","","","","has coordinates","221065","2020-10-21","18:00:00",""
"4127908","8.5142","0.0012","8.8368","0.0013","14.135","0.002","78.7715","0.001","84.154","0.011","77.5726","0.001","1016.7","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl4 Fe O2 -","- C18 H22 Cl4 Fe O2 -","- C36 H44 Cl8 Fe2 O4 -","2","1","","Horibe, Takahiro; Ohmura, Shuhei; Ishihara, Kazuaki","Structure and Reactivity of Aromatic Radical Cations Generated by FeCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","5","1877","1881","10.1021/jacs.8b12827","","","0.71075","MoKα","","0.0239","0.0213","","","0.0573","0.0583","","","","","","1.042","","","","has coordinates","221066","2020-10-21","18:00:00",""
"4127909","12.3265","0.001","5.7733","0.0006","26.867","0.002","90","","90.455","0.007","90","","1911.9","0.3","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl O2 -","- C24 H21 Cl O2 -","- C96 H84 Cl4 O8 -","4","1","","Horibe, Takahiro; Ohmura, Shuhei; Ishihara, Kazuaki","Structure and Reactivity of Aromatic Radical Cations Generated by FeCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","5","1877","1881","10.1021/jacs.8b12827","","x-ray","0.71073","MoKα","","0.1965","0.0716","","","0.1283","0.1666","","","","","","0.981","","","","has coordinates","221067","2020-10-21","18:00:00",""
"4127910","7.044","0.004","9.866","0.006","16.064","0.009","97.263","0.009","94.629","0.009","108.783","0.006","1039.7","1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C36 H44 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.1189","0.0784","","","0.2122","0.2288","","","","","","0.987","","","","has coordinates","221068","2020-10-21","18:00:00",""
"4127911","8.451","0.003","8.701","0.003","13.195","0.005","98.271","0.007","90.712","0.007","90.314","0.008","960.1","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C36 H44 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","x-ray","0.71073","MoKα","","0.1225","0.0951","","","0.2036","0.2128","","","","","","0.93","","","","has coordinates","221069","2020-10-21","18:00:00",""
"4127912","27.4926","0.0009","9.318","0.0003","15.4357","0.0005","90","","103.206","0.001","90","","3849.7","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O5 Si2 -","- C18 H22 O5 Si2 -","- C144 H176 O40 Si16 -","8","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.0466","0.0377","","","0.1016","0.1119","","","","","","1.055","","","","has coordinates","221070","2020-10-21","18:00:00",""
"4127913","7.2406","0.0016","12.798","0.003","17.089","0.004","81.306","0.006","81.036","0.006","85.912","0.005","1544.4","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 O3 Si2 -","- C12 H20 O3 Si2 -","- C48 H80 O12 Si8 -","4","2","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","x-ray","0.71073","MoKα","","0.1224","0.0717","","","0.1707","0.2003","","","","","","1.002","","","","has coordinates","221071","2020-10-21","18:00:00",""
"4127914","10.3251","0.0007","11.224","0.0008","11.3432","0.0008","96.522","0.001","111.319","0.001","115.39","0.001","1048.07","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 O5 Si2 -","- C20 H26 O5 Si2 -","- C40 H52 O10 Si4 -","2","1","","Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.","Journal of the American Chemical Society","2019","141","5","2143","2151","10.1021/jacs.8b12600","","","0.71073","MoKα","","0.0432","0.0347","","","0.0921","0.0987","","","","","","1.02","","","","has coordinates","221072","2020-10-21","18:00:00",""
"4127915","34.86","0.04","11.175","0.011","23.4","0.02","90","","110.5","0.04","90","","8538","15","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 Fe N2 O P4 -","- C44 H48 Fe N2 P4 -","- C352 H384 Fe8 N16 P32 -","8","1","","Prokopchuk, Demyan E.; Chambers, Geoffrey M.; Walter, Eric D.; Mock, Michael T.; Bullock, R. Morris","H<sub>2</sub> Binding, Splitting, and Net Hydrogen Atom Transfer at a Paramagnetic Iron Complex.","Journal of the American Chemical Society","2019","141","5","1871","1876","10.1021/jacs.8b12823","","","0.71073","MoKα","","0.0362","0.0286","","","0.0707","0.074","","","","","","1.022","","","","has coordinates","221073","2020-10-21","18:00:00",""
"4127916","9.57","0.002","11.955","0.002","17.699","0.003","104.34","0.02","93.68","0.02","108.63","0.03","1836.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H61 Ge N2 Si -","- C38 H61 Ge N2 Si -","- C76 H122 Ge2 N4 Si2 -","2","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Sinhababu, Soumen; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Ghosh, Munmun; Fu, Mingxing; Zhao, Lili; Casanova, David; Frenking, Gernot; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes.","Journal of the American Chemical Society","2019","141","5","1908","1912","10.1021/jacs.8b13434","","","0.56086","AgKα","","0.0538","0.0436","","","0.1124","0.1192","","","","","","1.076","","","","has coordinates","221074","2020-10-21","18:00:00",""
"4127917","13.375","0.002","13.416","0.002","14.015","0.003","112.83","0.02","100.59","0.02","108.21","0.03","2063.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H57 Ge N2 Si -","- C47 H57 Ge N2 Si -","- C94 H114 Ge2 N4 Si2 -","2","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Sinhababu, Soumen; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Ghosh, Munmun; Fu, Mingxing; Zhao, Lili; Casanova, David; Frenking, Gernot; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes.","Journal of the American Chemical Society","2019","141","5","1908","1912","10.1021/jacs.8b13434","","","0.56086","AgKα","","0.0693","0.0459","","","0.1073","0.1251","","","","","","1.118","","","","has coordinates","221075","2020-10-21","18:00:00",""
"4127918","13.5988","0.0008","47.708","0.003","50.646","0.003","90","","90","","90","","32858","3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H415 K23 O300 P20 Pd31 -","- C96 H112 K17.8333 O221.508 P20 Pd31 -","- C384 H448 K71.3332 O886.031 P80 Pd124 -","4","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.082","0.0772","","","0.216","0.2218","","","","","","1.031","","","","has coordinates,has disorder","221076","2020-10-21","18:00:00",""
"4127919","16.7418","0.0008","15.6598","0.0008","18.4127","0.0009","90","","90.376","0.002","90","","4827.2","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H102 K2.5 Na2.5 O92 P W12 -","- C38 H45 K2.5 Na2.5 O83 P W12 -","- C76 H90 K5 Na5 O166 P2 W24 -","2","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.0666","0.0633","","","0.2012","0.2052","","","","","","1.068","","","","has coordinates,has disorder","221077","2020-10-21","18:00:00",""
"4127920","11.4648","0.0011","7.4731","0.0007","11.5835","0.0011","90","","94.863","0.004","90","","988.87","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Br F3 N2 O6 -","- C19 H14 Br F3 N2 O6 -","- C38 H28 Br2 F6 N4 O12 -","2","1","","Schwartz, Leyah A.; Holmes, Michael; Brito, Gilmar A.; Gonçalves, Théo P; Richardson, Jeffery; Ruble, J. Craig; Huang, Kuo-Wei; Krische, Michael J.","Cyclometalated Iridium-PhanePhos Complexes Are Active Catalysts in Enantioselective Allene-Fluoral Reductive Coupling and Related Alcohol-Mediated Carbonyl Additions That Form Acyclic Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2019","141","5","2087","2096","10.1021/jacs.8b11868","","","0.71073","MoKα","","0.0324","0.0261","","","0.0524","0.0537","","","","","","0.998","","","","has coordinates","221078","2020-10-21","18:00:00",""
"4127921","11.5455","0.0012","18.2487","0.0017","22.786","0.002","107.665","0.006","96.056","0.007","96.264","0.007","4498.2","0.8","170","2","170.01","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H34 Cl10 O6 -","- C67 H34 Cl10 O6 -","- C134 H68 Cl20 O12 -","2","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","1.34139","GaKα","","0.2021","0.128","","","0.3","0.3547","","","","","","0.834","","","","has coordinates","221079","2020-10-21","18:00:00",""
"4127922","11.333","0.002","7.4415","0.0015","25.055","0.006","90","","92.183","0.007","90","","2111.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cl8 O4 -","- C48 H28 Cl8 O4 -","- C96 H56 Cl16 O8 -","2","0.5","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","0.71073","MoKα","","0.1133","0.0794","","","0.2006","0.226","","","","","","1.09","","","","has coordinates","221080","2020-10-21","18:00:00",""
"4127923","24.297","0.0013","7.8094","0.0004","23.9522","0.0012","90","","98.529","0.002","90","","4494.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 Cl8 O5 -","- C50 H32 Cl8 O5 -","- C200 H128 Cl32 O20 -","4","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","1.54178","CuKα","","0.0532","0.0464","","","0.1138","0.1181","","","","","","1.064","","","","has coordinates,has disorder","221081","2020-10-21","18:00:00",""
"4127924","10.195","0.004","13.289","0.007","16.613","0.008","73.338","0.015","86.579","0.014","84.425","0.014","2144.9","1.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H24 Cl6 O4 -","- C41 H24 Cl6 O4 -","- C82 H48 Cl12 O8 -","2","1","","Wang, Yanpei; Qiu, Shuhai; Xie, Sheng; Zhou, Long; Hong, Youhua; Chang, Jingjing; Wu, Jishan; Zeng, Zebing","Synthesis and Characterization of Oxygen-Embedded Quinoidal Pentacene and Nonacene.","Journal of the American Chemical Society","2019","141","5","2169","2176","10.1021/jacs.8b13884","","","0.71073","MoKα","","0.1317","0.0835","","","0.2171","0.2528","","","","","","1.026","","","","has coordinates","221082","2020-10-21","18:00:00",""
"4127925","9.175","0.0003","10.716","0.0003","11.0839","0.0004","90","","101.47","0.001","90","","1068","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","lm1XV374 - 18MCD012","","","- C24 H26 F3 N O2 S -","- C24 H26 F3 N O2 S -","- C48 H52 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0327","0.0305","","","0.0776","0.079","","","","","","1.048","","","","has coordinates","221083","2020-10-21","18:00:00",""
"4127926","9.9817","0.001","8.5549","0.0009","10.6135","0.001","90","","100.483","0.004","90","","891.19","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","18MCD016","","","- C18 H22 F3 N O2 S -","- C18 H22 F3 N O2 S -","- C36 H44 F6 N2 O4 S2 -","2","1","","Vidal, Xandro; Mascareñas, José L; Gulías, Moisés","Palladium-Catalyzed, Enantioselective Formal Cycloaddition between Benzyltriflamides and Allenes: Straightforward Access to Enantioenriched Isoquinolines.","Journal of the American Chemical Society","2019","141","5","1862","1866","10.1021/jacs.8b12636","","","0.71073","MoKα","","0.0516","0.0395","","","0.085","0.0906","","","","","","1.056","","","","has coordinates","221084","2020-10-21","18:00:00",""
"4127927","7.55733","0.00014","20.5126","0.0007","26.9565","0.0009","71.418","0.003","83.519","0.002","82.56","0.002","3916.2","0.2","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H81 N11 O17 -","- C86 H81 N11 O17 -","- C172 H162 N22 O34 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54187","CuKα","","0.0578","0.0465","","","0.1248","0.1323","","","","","","1.047","","","","has coordinates","221085","2020-10-21","18:00:00",""
"4127928","23.5339","0.00013","25.9485","0.00012","27.4962","0.00015","108.671","0.0004","100.83","0.0005","108.27","0.0005","14309.1","0.16","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H73 Cl N10 O16 -","- C88 H73 Cl N10 O16 -","- C528 H438 Cl6 N60 O96 -","6","3","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54184","CuKα","","0.086","0.0788","","","0.2515","0.2597","","","","","","1.082","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4127929","7.27754","0.00017","20.8039","0.0004","21.7135","0.0004","76.5118","0.0017","89.6714","0.0017","86.3993","0.0018","3190.33","0.12","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H36 N6 O12 -","- C66 H36 N6 O12 -","- C132 H72 N12 O24 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54187","CuKα","","0.0935","0.0808","","","0.249","0.2648","","","","","","1.05","","","","has coordinates","221087","2020-10-21","18:00:00",""
"4127930","7.3893","0.0004","19.398","0.0011","21.3787","0.001","80.108","0.004","88.822","0.004","82.022","0.005","2989.6","0.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H36 N6 O12 -","- C66 H36 N6 O12 -","- C132 H72 N12 O24 -","2","1","","Hisaki, Ichiro; Suzuki, Yuto; Gomez, Eduardo; Ji, Qin; Tohnai, Norimitsu; Nakamura, Takayoshi; Douhal, Abderrazzak","Acid Responsive Hydrogen-Bonded Organic Frameworks.","Journal of the American Chemical Society","2019","141","5","2111","2121","10.1021/jacs.8b12124","","","1.54184","CuKα","","0.1888","0.1163","","","0.3031","0.3618","","","","","","1.018","","","","has coordinates","221088","2020-10-21","18:00:00",""
"4127931","10.7896","0.0012","14.973","0.002","15.5499","0.0018","94.628","0.005","97.727","0.006","92.077","0.005","2478.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N4 O11 P6 -","- C48 H58 N4 O11 P6 -","- C96 H116 N8 O22 P12 -","2","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.055","0.0394","","","0.093","0.1019","","","","","","1.042","","","","has coordinates,has disorder","221089","2020-10-21","18:00:00",""
"4127932","8.851","0.0006","33.631","0.002","14.7539","0.0007","90","","93.551","0.002","90","","4383.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPN)(H2NEt2)(P3O8NEt2)","","","- C44 H52 N3 O8 P5 -","- C44 H52 N3 O8 P5 -","- C176 H208 N12 O32 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0394","0.0346","","","0.0853","0.0886","","","","","","1.061","","","","has coordinates","221090","2020-10-21","18:00:00",""
"4127933","32.577","0.002","9.197","0.0006","14.4155","0.0009","90","","90","","90","","4319","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H49 N2 O9 P5 -","- C43 H49 N2 O9 P5 -","- C172 H196 N8 O36 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0373","0.0334","","","0.0775","0.0794","","","","","","1.037","","","","has coordinates,has disorder","221091","2020-10-21","18:00:00",""
"4127934","13.4493","0.0005","19.5239","0.0009","25.1485","0.0009","90","","90","","90","","6603.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","iso-P4O12(PPN)2*H2O","","","- C72 H62 N2 O12.59 P8 -","- C72 H62 N2 O12.59 P8 -","- C288 H248 N8 O50.36 P32 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","1.54178","CuKα","","0.0758","0.0562","","","0.138","0.1571","","","","","","1.091","","","","has coordinates","221092","2020-10-21","18:00:00",""
"4127935","15.475","0.003","17.268","0.003","19.388","0.004","63.67","0.03","70.32","0.03","86.65","0.03","4347","2","80","2","80","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H111 B4 F40 N15 O Pd2 S8 -","- C150 H111 B4 F40 N15 O Pd2 S8 -","- C150 H111 B4 F40 N15 O Pd2 S8 -","1","0.5","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","0.5636","synchrotron","","0.1622","0.1172","","","0.3222","0.358","","","","","","1.272","","","","has coordinates,has disorder","221093","2020-10-21","18:00:00",""
"4127936","16.2723","0.0007","18.2308","0.0007","19.8269","0.0008","106.559","0.002","90.944","0.002","108.396","0.002","5313","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","- C160 H122 B2 F32 N12 O8 Pd2 S10 -","1","1","","Li, Ru-Jin; Holstein, Julian J.; Hiller, Wolf G.; Andréasson, Joakim; Clever, Guido H.","Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages.","Journal of the American Chemical Society","2019","141","5","2097","2103","10.1021/jacs.8b11872","","","1.54178","CuKα","","0.0728","0.0563","","","0.1612","0.1749","","","","","","1.042","","","","has coordinates,has disorder","221094","2020-10-21","18:00:00",""
"4127937","13.28","0.003","20.622","0.004","5.7279","0.0011","90","","95.38","0.03","90","","1561.7","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong; Yu, Jin-Quan","Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols.","Journal of the American Chemical Society","2019","141","5","1903","1907","10.1021/jacs.8b13403","","","0.71073","MoKα","","0.0652","0.0484","","","0.1175","0.1283","","","","","","1.038","","","","has coordinates","221095","2020-10-21","18:00:00",""
"4127938","16.296","0.003","12.49","0.003","7.3775","0.0015","90","","96.78","0.03","90","","1491.1","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F O3 -","- C18 H17 F O3 -","- C72 H68 F4 O12 -","4","1","","Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong; Yu, Jin-Quan","Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols.","Journal of the American Chemical Society","2019","141","5","1903","1907","10.1021/jacs.8b13403","","","0.71073","MoKα","","0.0835","0.0589","","","0.1365","0.1491","","","","","","1.095","","","","has coordinates","221096","2020-10-21","18:00:00",""
"4127939","7.6438","0.0006","7.7858","0.0006","19.8762","0.0016","95.895","0.003","91.044","0.003","117.92","0.003","1036.72","0.14","123","","123","","","","","","","","Kevin Weiland","4","P -1","-P 1","2","","","","- C48 H52 O4 S4 -","- C48 H52 O4 S4 -","- C48 H52 O4 S4 -","1","0.5","","Weiland, Kevin J.; Brandl, Thomas; Atz, Kenneth; Prescimone, Alessandro; Häussinger, Daniel; Šolomek, Tomáš; Mayor, Marcel","Mechanical Stabilization of Helical Chirality in a Macrocyclic Oligothiophene.","Journal of the American Chemical Society","2019","141","5","2104","2110","10.1021/jacs.8b11797","","","1.54178","CuKα","","0.0775","0.0751","","0.0587","0.0587","0.0586","","","","","","1.0297","","","","has coordinates","221097","2020-10-21","18:00:00",""
"4127940","44.908","0.002","17.6979","0.0008","27.658","0.0012","90","","113.317","0.002","90","","20186.7","1.6","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F24 N6 O12 P4 -","- C84 H80 F24 N6 O12 P4 -","- C672 H640 F192 N48 O96 P32 -","8","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.0962","0.081","","","0.2379","0.2575","","","","","","1.047","","","","has coordinates,has disorder","221098","2020-10-21","18:00:00",""
"4127941","10.9442","0.0007","16.0723","0.0012","19.1059","0.0013","94.246","0.004","90.646","0.004","92.596","0.004","3347.7","0.4","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C65.6 H63.6 F19.2 N7.6 O4.8 P3.2 -","- C65.6 H63.6 F19.2 N7.6 O4.8 P3.2 -","- C131.2 H127.2 F38.4 N15.2 O9.6 P6.4 -","2","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.0912","0.0829","","","0.2339","0.2433","","","","","","1.033","","","","has coordinates,has disorder","221099","2020-10-21","18:00:00",""
"4127942","11.3842","0.0006","18.1455","0.001","20.4946","0.0011","112.76","0.005","91.764","0.004","102.586","0.005","3778.9","0.4","181.8","","181.8","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H70 F24 N9 O6 P4 -","- C71 H70 F24 N9 O6 P4 -","- C142 H140 F48 N18 O12 P8 -","2","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","0.71073","MoKα","","0.1701","0.1216","","","0.3338","0.3884","","","","","","1.284","","","","has coordinates,has disorder","221100","2020-10-21","18:00:00",""
"4127943","17.547","0.0013","27.825","0.003","18.3914","0.0014","90","","101.895","0.006","90","","8786.7","1.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H83 F18 N7 O12 P3 -","- C86 H83 F18 N7 O12 P3 -","- C344 H332 F72 N28 O48 P12 -","4","1","","Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao","Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane.","Journal of the American Chemical Society","2019","141","42","16915","16922","10.1021/jacs.9b08926","","","1.54178","CuKα","","0.1952","0.1616","","","0.3917","0.4184","","","","","","1.475","","","","has coordinates,has disorder","221101","2020-10-21","18:00:00",""
"4127944","10.6208","0.0008","14.5195","0.0011","16.0462","0.0012","104.065","0.002","99.592","0.002","102.634","0.002","2278.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H74 Al F3 N2 O4 S -","- C46 H74 Al F3 N2 O4 S -","- C92 H148 Al2 F6 N4 O8 S2 -","2","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0689","0.0492","","","0.1242","0.1372","","","","","","1.008","","","","has coordinates,has disorder","221102","2020-10-21","18:00:00",""
"4127945","9.602","0.002","12.341","0.003","16.807","0.005","89.029","0.013","86.294","0.01","69.262","0.01","1858.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H63 Al N2 -","- C40 H63 Al N2 -","- C80 H126 Al2 N4 -","2","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0645","0.0502","","","0.1061","0.1136","","","","","","1.068","","","","has coordinates","221103","2020-10-21","18:00:00",""
"4127946","12.642","0.006","19.274","0.008","17.059","0.007","90","","111.537","0.014","90","","3866","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 Al Cl2 N2 -","- C40 H63 Al Cl2 N2 -","- C160 H252 Al4 Cl8 N8 -","4","1","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0502","0.0389","","","0.0966","0.1041","","","","","","1.022","","","","has coordinates","221104","2020-10-21","18:00:00",""
"4127947","13.647","0.004","27.147","0.007","13.569","0.004","90","","100.226","0.007","90","","4947","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H84 Al N2 Na Si -","- C49 H84 Al N2 Na Si -","- C196 H336 Al4 N8 Na4 Si4 -","4","0.5","","Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger","Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions.","Journal of the American Chemical Society","2019","141","42","16954","16960","10.1021/jacs.9b09128","","","0.71073","MoKα","","0.0724","0.0536","","","0.1037","0.1117","","","","","","1.113","","","","has coordinates,has disorder","221105","2020-10-21","18:00:00",""
"4127948","7.8711","0.0013","34.698","0.006","20.06","0.003","90","","99.45","0.003","90","","5404.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl3 F2 -","- C14 H9 Cl3 F2 -","- C224 H144 Cl48 F32 -","16","4","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0745","0.0454","","","0.0915","0.103","","","","","","1.014","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127949","9.3017","0.0011","13.2943","0.0015","10.9353","0.0013","90","","97.406","0.002","90","","1341","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl3 F2 -","- C14 H9 Cl3 F2 -","- C56 H36 Cl12 F8 -","4","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0478","0.0362","","","0.0843","0.0894","","","","","","1.018","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127950","9.923","0.0006","7.808","0.0005","18.1832","0.0011","90","","94.507","0.001","90","","1404.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0272","0.0253","","","0.0573","0.0583","","","","","","1.023","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127951","9.9215","0.0007","7.8098","0.0005","18.1864","0.0012","90","","94.507","0.001","90","","1404.81","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0271","0.0254","","","0.0576","0.0584","","","","","","1.034","","","","has coordinates","221106","2020-10-21","18:00:00",""
"4127952","9.6421","0.0005","9.6762","0.0005","16.3543","0.0009","94.296","0.001","103.025","0.001","107.253","0.001","1403.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C56 H36 Cl16 F4 -","4","2","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.0454","0.0373","","","0.0894","0.0935","","","","","","1.04","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127953","7.862","0.003","34.467","0.013","21.043","0.008","90","","99.217","0.003","90","","5629","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C224 H144 Cl64 F16 -","16","4","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1145","0.0889","","","0.2415","0.2569","","","","","","1.27","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127954","9.881","0.006","7.799","0.005","36.55","0.02","90","","90","","90","","2817","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C112 H72 Cl32 F8 -","8","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1444","0.1242","","","0.4113","0.422","","","","","","1.783","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127955","3.9548","0.00012","3.9548","0.00012","24.0993","0.0012","90","","90","","120","","326.43","0.02","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Cs1.03 Mn1.28 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","- Bi2.7204 Cs1.03 Mn1.2796 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0344","0.0337","","","0.0828","0.0833","","","","","","1.274","","","","has coordinates","221107","2020-10-21","18:00:00",""
"4127956","3.95293","0.00014","3.95293","0.00014","23.5976","0.0015","90","","90","","120","","319.33","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","- Bi2.7204 Mn1.28 Rb0.88 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0386","0.0386","","","0.0848","0.0848","","","","","","1.319","","","","has coordinates","221108","2020-10-21","18:00:00",""
"4127957","3.9521","0.00014","3.9521","0.00014","23.0937","0.0016","90","","90","","120","","312.38","0.03","180","0.02","180","0.02","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 K1.28 Mn1.28 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","- Bi2.7196 K1.282 Mn1.2804 S6 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0266","0.0238","","","0.0512","0.0519","","","","","","1.269","","","","has coordinates","221109","2020-10-21","18:00:00",""
"4127958","3.94702","0.00017","3.94702","0.00017","23.4271","0.0017","90","","90","","120","","316.07","0.03","180","0.1","180","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Bi2.72 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","- Bi2.7204 Mn1.28 S6 Zn0.64 -","1","0.0416667","","Wang, Ruiqi; Chen, Haijie; Xiao, Yi; Hadar, Ido; Bu, Kejun; Zhang, Xian; Pan, Jie; Gu, Yuhao; Guo, Zhongnan; Huang, Fuqiang; Kanatzidis, Mercouri G.","K<sub> <i>x</i> </sub>[Bi<sub>4-<i>x</i></sub>Mn<sub> <i>x</i> </sub>S<sub>6</sub>], Design of a Highly Selective Ion Exchange Material and Direct Gap 2D Semiconductor.","Journal of the American Chemical Society","2019","141","42","16903","16914","10.1021/jacs.9b08674","","","0.71073","MoKα","","0.0345","0.0326","","","0.0761","0.0772","","","","","","1.392","","","","has coordinates","221110","2020-10-21","18:00:00",""
"4127959","9.9133","0.0007","9.9284","0.001","13.9131","0.001","74.704","0.005","71.972","0.003","60.445","0.004","1122.44","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Jiang, Xing; Duan, Hai-Bao; Jellen, Marcus J.; Chen, Yu; Chung, Tim S.; Liang, Yong; Garcia-Garibay, Miguel A","Thermally Activated Transient Dipoles and Rotational Dynamics of Hydrogen-Bonded and Charge-Transferred Diazabicyclo [2.2.2]Octane Molecular Rotors.","Journal of the American Chemical Society","2019","141","42","16802","16809","10.1021/jacs.9b07518","","","1.54178","CuKα","","0.044","0.0386","","","0.1005","0.1054","","","","","","1.077","","","","has coordinates","221112","2020-10-21","18:00:00",""
"4127960","8.7804","0.0004","9.4799","0.0004","21.6599","0.001","91.253","0.002","100.354","0.002","100.068","0.002","1743.6","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C92 H88 N4 O8 -","2","1","","Jiang, Xing; Duan, Hai-Bao; Jellen, Marcus J.; Chen, Yu; Chung, Tim S.; Liang, Yong; Garcia-Garibay, Miguel A","Thermally Activated Transient Dipoles and Rotational Dynamics of Hydrogen-Bonded and Charge-Transferred Diazabicyclo [2.2.2]Octane Molecular Rotors.","Journal of the American Chemical Society","2019","141","42","16802","16809","10.1021/jacs.9b07518","","","1.54178","CuKα","","0.0423","0.0382","","","0.1006","0.1038","","","","","","1.041","","","","has coordinates","221113","2020-10-21","18:00:00",""
"4127961","5.5889","0.0005","7.8356","0.0007","22.0624","0.0017","90","","91.268","0.004","90","","965.93","0.14","287","2","287","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 O P -","- C23 H23 O P -","- C46 H46 O2 P2 -","2","1","","Liu, Xu-Teng; Zhang, Ya-Qian; Han, Xue-Yu; Sun, Shi-Ping; Zhang, Qing-Wei","Ni-Catalyzed Asymmetric Allylation of Secondary Phosphine Oxides.","Journal of the American Chemical Society","2019","141","42","16584","16589","10.1021/jacs.9b08734","","","1.54178","CuKα","","0.0844","0.0682","","","0.198","0.2292","","","","","","1.074","","","","has coordinates","221114","2020-10-21","18:00:00",""
"4127962","10.1504","0.0013","13.5086","0.0017","20.683","0.003","105.697","0.003","91.413","0.003","96.977","0.004","2705.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H45 Cl Co N2 -","- C56 H45 Cl Co N2 -","- C112 H90 Cl2 Co2 N4 -","2","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.1555","0.0948","","","0.2318","0.2621","","","","","","1.059","","","","has coordinates,has disorder","221115","2020-10-21","18:00:00",""
"4127963","16.87","0.003","16.39","0.003","18.057","0.003","90","","92.266","0.004","90","","4988.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H57 Co N2 -","- C68 H57 Co N2 -","- C272 H228 Co4 N8 -","4","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.1212","0.0585","","","0.1086","0.1278","","","","","","1.005","","","","has coordinates","221115","2020-10-21","18:00:00",""
"4127964","43.307","0.009","11.775","0.003","23.012","0.005","90","","121.668","0.004","90","","9987","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H60 Co N3 -","- C66 H60 Co N3 -","- C528 H480 Co8 N24 -","8","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.138","0.0715","","","0.1028","0.1207","","","","","","1.012","","","","has coordinates","221115","2020-10-21","18:00:00",""
"4127965","43.246","0.004","9.1582","0.0009","30.563","0.003","90","","117.576","0.003","90","","10729.5","1.8","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H50 Co N3 -","- C61 H50 Co N3 -","- C488 H400 Co8 N24 -","8","1","","Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.","Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.","Journal of the American Chemical Society","2019","141","42","16944","16953","10.1021/jacs.9b09015","","","0.71073","MoKα","","0.2244","0.1937","","","0.4041","0.4212","","","","","","1.144","","","","has coordinates,has disorder","221115","2020-10-21","18:00:00",""
"4127966","14.3745","0.0004","6.0487","0.0002","24.5776","0.0006","90","","90","","90","","2136.95","0.11","98","2","98","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Neff, Robynne K.; Su, Yong-Liang; Liu, Siqi; Rosado, Melina; Zhang, Xinhao; Doyle, Michael P.","Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes.","Journal of the American Chemical Society","2019","141","42","16643","16650","10.1021/jacs.9b05921","","x-ray","0.71073","MoKα","","0.0409","0.0392","","","0.0978","0.0991","","","","","","1.054","","","","has coordinates","221116","2020-10-21","18:00:00",""
"4127967","10.3031","0.0006","19.9676","0.0012","15.9668","0.0011","90","","97.155","0.002","90","","3259.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Al N2 P -","- C34 H50 Al N2 P -","- C136 H200 Al4 N8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0852","0.0456","","","0.0954","0.1088","","","","","","1.025","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127968","10.8796","0.0008","19.0921","0.0013","17.8224","0.0013","90","","101.081","0.002","90","","3633","0.5","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Al N2 P -","- C40 H56 Al N2 P -","- C160 H224 Al4 N8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0731","0.0434","","","0.107","0.1218","","","","","","1.02","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127969","10.8256","0.0016","11.8327","0.0019","18.443","0.003","81.938","0.008","89.277","0.008","84.754","0.008","2329.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H78 Al N2 O P -","- C49 H78 Al N2 O P -","- C98 H156 Al2 N4 O2 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1344","0.067","","","0.1617","0.1929","","","","","","1.024","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127970","17.055","0.005","14.341","0.004","17.956","0.004","90","","101.073","0.009","90","","4310","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 Al N3 P -","- C47 H67 Al N3 P -","- C188 H268 Al4 N12 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1426","0.0826","","","0.1955","0.229","","","","","","1.021","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127971","14.2095","0.0013","18.7653","0.0018","20.5344","0.0016","90","","109.719","0.004","90","","5154.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 Al N4 P -","- C55 H84 Al N4 P -","- C220 H336 Al4 N16 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1347","0.0605","","","0.1349","0.17","","","","","","0.967","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127972","19.903","0.004","18.583","0.003","10.166","0.002","90","","90","","90","","3760","1.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56.25 Al N2 P Se -","- C40 H56 Al N2 P Se -","- C160 H224 Al4 N8 P4 Se4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0907","0.0523","","","0.125","0.146","","","","","","1.042","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127973","20.879","0.004","20.184","0.004","10.7723","0.0015","90","","90","","90","","4539.7","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H66 Al N2 O P -","- C53 H66 Al N2 O P -","- C212 H264 Al4 N8 O4 P4 -","4","0.5","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.0687","0.0437","","","0.1032","0.1207","","","","","","0.878","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127974","33.78","0.03","12.772","0.011","22.14","0.03","90","","90","","90","","9552","18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H68 Al N2 O P -","- C55 H68 Al N2 O P -","- C440 H544 Al8 N16 O8 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1543","0.0847","","","0.1939","0.2354","","","","","","1.017","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4127975","27.6729","0.0016","11.0531","0.0005","33.7785","0.0016","90","","103.962","0.003","90","","10026.6","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H72 Al N4 P -","- C56.5 H72 Al N4 P -","- C452 H576 Al8 N32 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1447","0.0756","","","0.1508","0.1855","","","","","","1.117","","","","has coordinates","221117","2020-10-21","18:00:00",""
"4127976","31.6822","0.0004","23.4638","0.0002","27.1118","0.0004","90","","90","","90","","20154.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H80 O110 Zr25 -","- H80 O110 Zr25 -","- H320 O440 Zr100 -","4","0.25","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1614","0.1645","","","","","","1.049","","","","has coordinates,has disorder","221118","2020-10-21","18:00:00",""
"4127977","10.4563","0.0003","21.6794","0.0006","17.1366","0.0004","90","","90.832","0.001","90","","3884.22","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl6 H36 O49 Zr4 -","- Cl6 H36 O49 Zr4 -","- Cl24 H144 O196 Zr16 -","4","1","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0396","0.0333","","","0.0788","0.0818","","","","","","1.047","","","","has coordinates","221119","2020-10-21","18:00:00",""
"4127978","16.7157","0.0005","16.7157","0.0005","27.2185","0.001","90","","90","","90","","7605.2","0.4","171","","171","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cl24.02 H96 O168.11 Zr12 -","- Cl24.0264 O168.106 Zr12 -","- Cl48.0528 O336.211 Zr24 -","2","0.125","","Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May","Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.","Journal of the American Chemical Society","2019","141","42","16894","16902","10.1021/jacs.9b08627","","","1.54178","CuKα","","0.0963","0.0729","","","0.2106","0.2322","","","","","","1.041","","","","has coordinates,has disorder","221120","2020-10-21","18:00:00",""
"4127979","10.4082","0.0001","13.6167","0.0001","18.5933","0.0002","90","","90","","90","","2635.14","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 F N O2 S -","- C32 H24 F N O2 S -","- C128 H96 F4 N4 O8 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0862","0.0877","","","","","","1.051","","","","has coordinates","221121","2020-10-21","18:00:00",""
"4127980","5.477","0.0002","17.2742","0.0005","22.007","0.0006","90","","90","","90","","2082.1","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C96 H72 Br4 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1114","0.1163","","","","","","1.051","","","","has coordinates","221122","2020-10-21","18:00:00",""
"4127981","30.9242","0.0009","13.3451","0.0004","16.9298","0.0005","90","","108.846","0.001","90","","6612.1","0.3","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[LCo2K(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2.5(Et2O)","","","- C61.5 H80 Co2 F3 K N6 O16.5 S -","- C61.5 H80 Co2 F3 K N6 O16.5 S -","- C246 H320 Co8 F12 K4 N24 O66 S4 -","4","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0843","0.0718","","","0.1934","0.2059","","","","","","1.039","","","","has coordinates,has disorder","221123","2020-10-21","18:00:00",""
"4127982","10.137","0.0007","11.5336","0.0008","16.1693","0.0011","72.752","0.004","71.808","0.004","70.2","0.004","1650.9","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","[LCo2(pip)4](CF3SO3)2_2MeOH","","","- C64 H76 Co2 F6 N8 O14 S2 -","- C64 H76 Co2 F6 N8 O14 S2 -","- C64 H76 Co2 F6 N8 O14 S2 -","1","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0594","0.0508","","","0.1302","0.1357","","","","","","1.035","","","","has coordinates","221124","2020-10-21","18:00:00",""
"4127983","20.5672","0.0012","15.4382","0.0009","19.5237","0.001","90","","106.945","0.004","90","","5930","0.6","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[LCo2Na(C5H11N)2(MeO)2(MeOH)2](CF3SO3)(MeOH)2","","","- C57 H68 Co2 F3 N6 Na O15 S -","- C57 H68 Co2 F3 N6 Na O15 S -","- C228 H272 Co8 F12 N24 Na4 O60 S4 -","4","0.5","","Sakata, Yoko; Tamiya, Munehiro; Okada, Masahiro; Akine, Shigehisa","Switching of <i>Recognition First</i> and <i>Reaction First</i> Mechanisms in Host-Guest Binding Associated with Chemical Reactions.","Journal of the American Chemical Society","2019","141","39","15597","15604","10.1021/jacs.9b06926","","","1.54178","CuKα","","0.0805","0.0588","","","0.1518","0.1661","","","","","","1.042","","","","has coordinates,has disorder","221125","2020-10-21","18:00:00",""
"4127984","12.1658","0.0005","14.5252","0.0005","14.8017","0.0008","90","","109.073","0.002","90","","2472.03","0.19","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H41 Cl N2 O3 S -","- C22 H41 Cl N2 O3 S -","- C88 H164 Cl4 N8 O12 S4 -","4","1","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0374","0.035","","","0.0902","0.0916","","","","","","1.036","","","","has coordinates","221126","2020-10-21","18:00:00",""
"4127985","8.6478","0.0003","23.7341","0.0008","12.8671","0.0004","90","","95.869","0.002","90","","2627.1","0.15","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C23 H42 Br N O4 S -","- C23 H42 Br N O4 S -","- C92 H168 Br4 N4 O16 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.0713","0.0562","","","0.1272","0.1367","","","","","","1.02","","","","has coordinates","221127","2020-10-21","18:00:00",""
"4127986","10.0834","0.0006","15.2873","0.0008","17.347","0.0009","89.052","0.004","75.296","0.004","87.331","0.003","2583.6","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H43 Cl N2 O3 S -","- C23 H43 Cl N2 O3 S -","- C92 H172 Cl4 N8 O12 S4 -","4","2","","Mihai, Madalina T.; Williams, Benjamin D.; Phipps, Robert J.","<i>Para</i>-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation.","Journal of the American Chemical Society","2019","141","39","15477","15482","10.1021/jacs.9b07267","","","1.54178","CuKα","","0.1898","0.117","","","0.2068","0.2452","","","","","","1.078","","","","has coordinates","221128","2020-10-21","18:00:00",""
"4127987","8.0632","0.0004","13.0863","0.0007","13.1906","0.0007","90","","101.107","0.002","90","","1365.77","0.12","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Novak, Alexander J. E.; Grigglestone, Claire E.; Trauner, Dirk","A Biomimetic Synthesis Elucidates the Origin of Preuisolactone A.","Journal of the American Chemical Society","2019","141","39","15515","15518","10.1021/jacs.9b08892","","","0.71073","MoKα","","0.0727","0.051","","","0.132","0.1474","","","","","","1.061","","","","has coordinates","221129","2020-10-21","18:00:00",""
"4127988","12.0929","0.0005","12.1407","0.0006","32.496","0.0015","84.6775","0.0016","82.833","0.0015","89.9763","0.0015","4713","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H40 I4 N2 S8 Sn -","- C40 H40 I4 N2 S8 Sn -","- C160 H160 I16 N8 S32 Sn4 -","4","4","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","1.54178","CuKα","","0.149","0.1375","","","0.3738","0.4125","","","","","","1.096","","","","has coordinates,has disorder","221130","2020-10-21","18:00:00",""
"4127989","8.6484","0.0005","8.6467","0.0005","32.461","0.002","85.1499","0.0017","85.1329","0.0018","89.5023","0.0016","2410","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 I8 N4 Sn2 -","- C32 H48 I8 N4 Sn2 -","- C64 H96 I16 N8 Sn4 -","2","1","","Gao, Yao; Wei, Zitang; Yoo, Pilsun; Shi, Enzheng; Zeller, Matthias; Zhu, Chenhui; Liao, Peilin; Dou, Letian","Highly Stable Lead-Free Perovskite Field-Effect Transistors Incorporating Linear π-Conjugated Organic Ligands.","Journal of the American Chemical Society","2019","141","39","15577","15585","10.1021/jacs.9b06276","","","0.71073","MoKα","","0.0365","0.0312","","","0.0814","0.0842","","","","","","1.221","","","","has coordinates,has disorder","221131","2020-10-21","18:00:00",""
"4127990","11.665","0.008","12.561","0.005","13.985","0.006","72.96","0.04","81.2","0.05","88.33","0.04","1935.9","1.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H52 Mo O2 P2 -","- C45 H52 Mo O2 P2 -","- C90 H104 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0291","0.0224","","","0.0529","0.0554","","","","","","1.06","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127991","13.1011","0.0008","13.0037","0.0008","19.0467","0.0012","90","","95.462","0.004","90","","3230.1","0.3","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H94 Cl2 Mo2 O2 P4 -","- C69 H94 Cl2 Mo2 O2 P4 -","- C138 H188 Cl4 Mo4 O4 P8 -","2","0.5","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0492","0.0339","","","0.073","0.0774","","","","","","1.084","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127992","12.469","0.006","12.592","0.005","23.363","0.011","91.78","0.03","104.66","0.02","102.92","0.03","3444","3","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C35.75 H45 Cl Mo O2 P2 -","- C35.75 H49 Cl Mo O2 P2 -","- C143 H196 Cl4 Mo4 O8 P8 -","4","2","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0598","0.0399","","","0.0947","0.104","","","","","","1.024","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127993","23.82","0.02","21.933","0.009","13.402","0.005","90","","116.5","0.02","90","","6266","6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H42 Mo O P2 -","- C35.5 H46 Mo O P2 -","- C284 H368 Mo8 O8 P16 -","8","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","1.54178","CuKα","","0.0379","0.0355","","","0.0996","0.1021","","","","","","1.075","","","","has coordinates,has disorder","221132","2020-10-21","18:00:00",""
"4127994","11.6736","0.0005","12.0522","0.0005","14.3227","0.0006","94.987","0.002","105.434","0.002","110.315","0.002","1785.4","0.14","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Mo O P2 Si -","- C37 H55 Mo O P2 Si -","- C74 H110 Mo2 O2 P4 Si2 -","2","1","","Buss, Joshua A.; Bailey, Gwendolyn A.; Oppenheim, Julius; VanderVelde, David G.; Goddard, 3rd, William A; Agapie, Theodor","CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone.","Journal of the American Chemical Society","2019","141","39","15664","15674","10.1021/jacs.9b07743","","","0.71073","MoKα","","0.0412","0.0292","","","0.0692","0.0736","","","","","","1.044","","","","has coordinates","221132","2020-10-21","18:00:00",""
"4127995","6.8171","0.0005","13.2954","0.0009","18.339","0.0015","90","","90","","90","","1662.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N4 O2 S -","- C17 H20 N4 O2 S -","- C68 H80 N16 O8 S4 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.055","0.0428","","","0.0945","0.1007","","","","","","1.014","","","","has coordinates","221133","2020-10-21","18:00:00",""
"4127996","9.0628","0.0013","9.3343","0.0014","18.632","0.003","92.924","0.004","100.635","0.004","93.078","0.005","1543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 F3 I O9 S -","- C26 H36 F3 I O9 S -","- C52 H72 F6 I2 O18 S2 -","2","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.0542","0.0397","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","221134","2020-10-21","18:00:00",""
"4127997","11.0815","0.0006","18.8668","0.001","8.1309","0.0005","90","","92.8933","0.0015","90","","1697.78","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.0591","0.0447","","","0.1131","0.122","","","","","","1.037","","","","has coordinates","221135","2020-10-21","18:00:00",""
"4127998","16.975","0.006","12.176","0.004","21.669","0.007","90","","104.674","0.006","90","","4333","3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104 H102 O10 S6 -","- C104 H102 O10 S6 -","- C208 H204 O20 S12 -","2","0.5","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","","0.71075","MoKα","","0.0925","0.077","","","0.1841","0.1972","","","","","","1.082","","","","has coordinates","221136","2020-10-21","18:00:00",""
"4127999","19.039","0.004","19.244","0.005","19.579","0.006","74.73","0.02","71.112","0.019","61.065","0.016","5890","3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C117.3 H119.66 N5.06 O10.5 Zn -","- C117.295 H119.649 N5.059 O10.5 Zn -","- C234.59 H239.298 N10.118 O21 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.2057","0.1489","","","0.3903","0.4361","","","","","","1.231","","","","has coordinates,has disorder","221137","2020-10-21","18:00:00",""
"4128000","14.057","0.008","16.947","0.009","20.427","0.011","73.98","0.04","74.49","0.04","80.6","0.05","4486","4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H73 N O7 Zn -","- C97 H73 N O7 Zn -","- C194 H146 N2 O14 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.2365","0.1741","","","0.4121","0.4674","","","","","","1.228","","","","has coordinates","221139","2020-10-21","18:00:00",""
"4128001","19.145","0.002","19.421","0.003","20.42","0.003","79.032","0.017","63.984","0.013","71.306","0.015","6452.2","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H64 O4.76 Zn -","- C92 H64 O4.756 Zn -","- C184 H128 O9.512 Zn2 -","2","1","","Suginome, Shun; Sato, Hiroshi; Hori, Akihiro; Mishima, Akio; Harada, Yuki; Kusaka, Shinpei; Matsuda, Ryotaro; Pirillo, Jenny; Hijikata, Yuh; Aida, Takuzo","One-Step Synthesis of an Adaptive Nanographene MOF: Adsorbed Gas-Dependent Geometrical Diversity.","Journal of the American Chemical Society","2019","141","39","15649","15655","10.1021/jacs.9b07732","","x-ray","0.71075","MoKα","","0.1956","0.1167","","","0.3285","0.3778","","","","","","0.978","","","","has coordinates,has disorder","221140","2020-10-21","18:00:00",""
"4128002","11.8219","0.0004","32.0035","0.0008","10.6169","0.0003","90","","115.515","0.004","90","","3625.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H61 Cl N6 Ru -","- C34 H61 Cl N6 Ru -","- C136 H244 Cl4 N24 Ru4 -","4","1","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.0329","0.0286","","","0.0707","0.0739","","","","","","1.049","","","","has coordinates","221141","2020-10-21","18:00:00",""
"4128003","9.0428","0.0005","11.1213","0.0006","18.9745","0.0014","85.417","0.005","84.226","0.005","66.447","0.005","1738.7","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H58 Cl2 N3 O0.5 Ru2 -","- C34 H58 Cl2 N3 O0.5 Ru2 -","- C68 H116 Cl4 N6 O Ru4 -","2","1","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.084","0.0799","","","0.2208","0.2239","","","","","","1.066","","","","has coordinates,has disorder","221142","2020-10-21","18:00:00",""
"4128004","17.78429","0.00017","12.32688","0.00014","10.75495","0.0001","90","","90","","90","","2357.75","0.04","100","0.1","100","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H38 Cl N3 Ru -","- C22 H38 Cl N3 Ru -","- C88 H152 Cl4 N12 Ru4 -","4","0.5","","Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai","Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.","Journal of the American Chemical Society","2019","141","26","10372","10383","10.1021/jacs.9b04111","","x-ray","1.54184","CuKα","","0.032","0.0315","","","0.0765","0.0768","","","","","","1.068","","","","has coordinates,has disorder","221143","2020-10-21","18:00:00",""
"4128005","14.9596","0.0005","5.7704","0.0002","18.2738","0.0005","90","","93.348","0.002","90","","1574.75","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Soni, Vineet Kumar; Hwang, Ho Seong; Moon, Yu Kyung; Park, Sung-Woo; You, Youngmin; Cho, Eun Jin","Generation of N-Centered Radicals via a Photocatalytic Energy Transfer: Remote Double Functionalization of Arenes Facilitated by Singlet Oxygen.","Journal of the American Chemical Society","2019","141","26","10538","10545","10.1021/jacs.9b05572","","","0.71073","MoKα","","0.0812","0.0451","","","0.1228","0.1506","","","","","","0.838","","","","has coordinates","221144","2020-10-21","18:00:00",""
"4128006","11.5046","0.0004","6.2472","0.0002","24.1703","0.0008","90","","103.232","0.002","90","","1691.04","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Soni, Vineet Kumar; Hwang, Ho Seong; Moon, Yu Kyung; Park, Sung-Woo; You, Youngmin; Cho, Eun Jin","Generation of N-Centered Radicals via a Photocatalytic Energy Transfer: Remote Double Functionalization of Arenes Facilitated by Singlet Oxygen.","Journal of the American Chemical Society","2019","141","26","10538","10545","10.1021/jacs.9b05572","","","0.71073","MoKα","","0.0933","0.0568","","","0.1414","0.1552","","","","","","1.365","","","","has coordinates","221145","2020-10-21","18:00:00",""
"4128007","11.3128","0.0007","28.029","0.002","12.5915","0.0009","90","","92.095","0.003","90","","3989.9","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Py4DMBCuOTf2","Py4DMBCuOTf2","","- C36 H34 Cu F6 N4 O10 S2 -","- C36 H34 Cu F6 N4 O10 S2 -","- C144 H136 Cu4 F24 N16 O40 S8 -","4","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0391","0.0341","","","0.0797","0.0825","","","","","","1.085","","","","has coordinates","221146","2020-10-21","18:00:00",""
"4128008","12.7591","0.0008","18.1984","0.0011","24.8985","0.0014","91.008","0.002","93.058","0.002","93.513","0.002","5761","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C103.49 H58.97 B2 Cl0.51 Cu2 F48 N4 O2.74 -","- C103.478 H58.956 B2 Cl0.522 Cu2 F48 N4 O2.739 -","- C206.956 H117.912 B4 Cl1.044 Cu4 F96 N8 O5.478 -","2","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0759","0.0484","","","0.1138","0.1327","","","","","","1.02","","","","has coordinates,has disorder","221147","2020-10-21","18:00:00",""
"4128009","12.8267","0.0006","16.729","0.0009","18.0934","0.0009","102.584","0.002","97.674","0.002","91.056","0.002","3750.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H37 B Cu2 F30 N4 O2 -","- C68 H37 B Cu2 F30 N4 O2 -","- C136 H74 B2 Cu4 F60 N8 O4 -","2","1","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0474","0.0371","","","0.097","0.1051","","","","","","1.021","","","","has coordinates,has disorder","221148","2020-10-21","18:00:00",""
"4128010","12.6825","0.0015","17.1535","0.0019","17.278","0.002","61.744","0.003","77.29","0.004","85.224","0.004","3228.8","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H78 B2 Cu2 F48 N5 O8 -","- C108 H40 B2 Cu2 F48 N5 O7.598 -","- C108 H40 B2 Cu2 F48 N5 O7.598 -","1","0.5","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.1531","0.1087","","","0.2789","0.3026","","","","","","1.026","","","","has coordinates,has disorder","221149","2020-10-21","18:00:00",""
"4128011","35.132","0.004","10.4087","0.001","14.2824","0.0015","90","","109.398","0.004","90","","4926.3","0.9","100","","100","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H34 Cu2 F6 N5 O12 S2 -","- C35.999 H33.999 Cu2 F6 N5 O12 S2 -","- C143.996 H135.996 Cu8 F24 N20 O48 S8 -","4","0.5","","Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu","Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center.","Journal of the American Chemical Society","2019","141","26","10159","10164","10.1021/jacs.9b03635","","x-ray","0.71073","MoKα","","0.0803","0.0592","","","0.1473","0.1606","","","","","","1.029","","","","has coordinates,has disorder","221150","2020-10-21","18:00:00",""
"4128012","19.6283","0.0005","10.3255","0.0004","20.5481","0.0006","90","","98.061","0.002","90","","4123.4","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H102 F6 Fe2 N10 O10 S2 -","- C81 H102 F6 Fe2 N10 O10 S2 -","- C162 H204 F12 Fe4 N20 O20 S4 -","2","0.5","","Yadav, Vishal; Gordon, Jesse B.; Siegler, Maxime A.; Goldberg, David P.","Dioxygen-Derived Nonheme Mononuclear Fe<sup>III</sup>(OH) Complex and Its Reactivity with Carbon Radicals.","Journal of the American Chemical Society","2019","141","26","10148","10153","10.1021/jacs.9b03329","","","0.71073","MoKα","","0.0526","0.0444","","","0.1031","0.1075","","","","","","1.091","","","","has coordinates,has disorder","221151","2020-10-21","18:00:00",""
"4128013","10.0166","0.0003","10.6374","0.0004","18.2471","0.0006","80.928","0.003","79.036","0.003","79.746","0.003","1862.77","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H46 F3 Fe N5 O4 S -","- C37 H46 F3 Fe N5 O4 S -","- C74 H92 F6 Fe2 N10 O8 S2 -","2","1","","Yadav, Vishal; Gordon, Jesse B.; Siegler, Maxime A.; Goldberg, David P.","Dioxygen-Derived Nonheme Mononuclear Fe<sup>III</sup>(OH) Complex and Its Reactivity with Carbon Radicals.","Journal of the American Chemical Society","2019","141","26","10148","10153","10.1021/jacs.9b03329","","","0.71073","MoKα","","0.0653","0.0394","","","0.0695","0.0732","","","","","","0.812","","","","has coordinates,has disorder","221152","2020-10-21","18:00:00",""
"4128014","6.7928","0.0005","12.0154","0.0008","25.9101","0.0019","90","","90","","90","","2114.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C88 H96 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1135","0.0663","","","0.1164","0.131","","","","","","1.161","","","","has coordinates","221153","2020-10-21","18:00:00",""
"4128015","12.818","0.003","14.861","0.003","35.425","0.007","90","","90.91","0.03","90","","6747","2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64.82 H48.65 B Cl1.65 F24 Ir N3 O3 -","- C64.822 H48.644 B Cl1.644 F24 Ir N3 O3 -","- C259.288 H194.576 B4 Cl6.576 F96 Ir4 N12 O12 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.67","synchrotron","","0.1008","0.0523","","","0.1372","0.1563","","","","","","0.998","","","","has coordinates,has disorder","221154","2020-10-21","18:00:00",""
"4128016","12.123","0.002","8.799","0.0018","10.357","0.002","90","","111.01","0.03","90","","1031.3","0.4","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.73","synchrotron","","0.0894","0.0721","","","0.2189","0.2369","","","","","","1.184","","","","has coordinates","221155","2020-10-21","18:00:00",""
"4128017","9.81","0.007","8.792","0.007","14.514","0.012","90","","99.86","0.02","90","","1233.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1481","0.0663","","","0.1254","0.1582","","","","","","1.057","","","","has coordinates","221156","2020-10-21","18:00:00",""
"4128018","24.474","0.005","5.415","0.0011","23.818","0.005","90","","93.99","0.03","90","","3148.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C144 H144 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.68","synchrotron","","0.0555","0.0472","","","0.1421","0.147","","","","","","1.154","","","","has coordinates","221157","2020-10-21","18:00:00",""
"4128019","15.338","0.003","16.668","0.003","17.312","0.003","63.37","0.03","73.01","0.03","78.05","0.03","3768.7","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 B F24 Ir N2 O3 -","- C63 H46 B F24 Ir N2 O3 -","- C126 H92 B2 F48 Ir2 N4 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.7","synchrotron","","0.0404","0.0365","","","0.1062","0.1077","","","","","","1.214","","","","has coordinates,has disorder","221158","2020-10-21","18:00:00",""
"4128020","13.0708","0.0014","13.5823","0.0014","20.067","0.002","76.785","0.003","80.821","0.003","88.791","0.003","3423.3","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 B F24 Ir N2 O3 -","- C63 H46 B F24 Ir N2 O3 -","- C126 H92 B2 F48 Ir2 N4 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.108","0.0621","","","0.1262","0.1595","","","","","","1.118","","","","has coordinates,has disorder","221159","2020-10-21","18:00:00",""
"4128021","16.012","0.003","15.318","0.003","5.595","0.0011","90","","90","","90","","1372.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.73","synchrotron","","0.0449","0.0428","","","0.1125","0.1142","","","","","","1.094","","","","has coordinates","221160","2020-10-21","18:00:00",""
"4128022","13.756","0.003","15.303","0.003","16.367","0.003","75.85","0.03","80.74","0.03","77.93","0.03","3245","1.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H47 B F24 Ir N3 O3 -","- C64 H47 B F24 Ir N3 O3 -","- C128 H94 B2 F48 Ir2 N6 O6 -","2","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.75","synchrotron","","0.0452","0.0419","","","0.1156","0.1173","","","","","","1.113","","","","has coordinates,has disorder","221161","2020-10-21","18:00:00",""
"4128023","18.3325","0.0005","9.5102","0.0003","20.9624","0.0005","90","","95.6799","0.0014","90","","3636.76","0.17","100","","99.92","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 B F4 N2 O Pd -","- C20 H15 B F4 N2 O Pd -","- C160 H120 B8 F32 N16 O8 Pd8 -","8","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","","0.71073","MoKα","","0.0501","0.0442","","","0.103","0.1058","","","","","","1.2","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128024","9.804","0.003","13.105","0.003","16.366","0.005","90","","90","","90","","2102.7","1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 Pd2 -","- C22 H24 O4 Pd2 -","- C88 H96 O16 Pd8 -","4","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","x-ray","0.71073","MoKα","","0.0307","0.027","","","0.0636","0.0646","","","","","","1.036","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128025","8.21746","0.00018","24.3054","0.0005","7.85743","0.00016","90","","107.053","0.002","90","","1500.36","0.06","123","","123","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 -","- C46 H34 -","- C92 H68 -","2","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","1.54187","CuKα","","0.0466","0.043","","","0.1055","0.1082","","","","","","1.039","","","","has coordinates","221163","2020-10-21","18:00:00",""
"4128026","28.2664","0.0009","8.0077","0.0002","18.2814","0.0005","90","","90.756","0.003","90","","4137.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 B2 F8 -","- C52 H46 B2 F8 -","- C208 H184 B8 F32 -","4","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","0.71075","MoKα","","0.0883","0.0667","","","0.1654","0.1788","","","","","","1.044","","","","has coordinates","221164","2020-10-21","18:00:00",""
"4128027","8.3096","0.0002","13.4671","0.0005","13.8293","0.0004","93.309","0.003","91.851","0.002","91.515","0.002","1543.58","0.08","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H36 O2 -","- C46 H36 O2 -","- C92 H72 O4 -","2","1","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","1.54187","CuKα","","0.0503","0.0458","","","0.1239","0.1284","","","","","","1.058","","","","has coordinates","221165","2020-10-21","18:00:00",""
"4128028","9.4519","0.0002","16.7889","0.0003","16.9365","0.0003","90","","101.674","0.0007","90","","2632","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 B N3 O8 -","- C29 H30 B N3 O8 -","- C116 H120 B4 N12 O32 -","4","1","","Dennis, David G.; Okumura, Mikiko; Sarlah, David","Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.","Journal of the American Chemical Society","2019","141","26","10193","10198","10.1021/jacs.9b05370","","x-ray","1.54178","CuKα","","0.0489","0.0359","","","0.0773","0.0831","","","","","","1.033","","","","has coordinates,has disorder","221166","2020-10-21","18:00:00",""
"4128029","15.5798","0.0003","13.7634","0.0002","17.7218","0.0003","90","","100.257","0.001","90","","3739.37","0.11","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 B N3 O4 -","- C19 H24 B N3 O4 -","- C152 H192 B8 N24 O32 -","8","2","","Dennis, David G.; Okumura, Mikiko; Sarlah, David","Synthesis of (±)-Idarubicinone via Global Functionalization of Tetracene.","Journal of the American Chemical Society","2019","141","26","10193","10198","10.1021/jacs.9b05370","","x-ray","0.71073","MoKα","","0.0441","0.0361","","","0.0937","0.1032","","","","","","1.066","","","","has coordinates,has disorder","221167","2020-10-21","18:00:00",""
"4128030","4.5946","0.0004","4.5946","0.0004","8.0512","0.001","90","","90","","90","","169.96","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Hg Li O4 P -","- Hg Li O4 P -","- Hg2 Li2 O8 P2 -","2","0.25","","Wu, Bao-Lin; Hu, Chun-Li; Mao, Fei-Fei; Tang, Ru-Ling; Mao, Jiang-Gao","Highly Polarizable Hg<sup>2+</sup> Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO<sub>4</sub>.","Journal of the American Chemical Society","2019","141","26","10188","10192","10.1021/jacs.9b05125","","","0.71073","MoKα","","0.0337","0.029","","","0.0522","0.0576","","","","","","1.014","","","","has coordinates","221168","2020-10-21","18:00:00",""
"4128031","14.819","0.003","35.924","0.003","45.003","0.002","90","","90","","90","","23958","5","100","10","100","10","","","","","","","","4","F m m m","-F 2 2","69","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C448 H240 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54184","CuKα","","0.1513","0.0766","","","0.2052","0.2531","","","","","","0.754","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128032","50.5058","0.0008","50.5058","0.0008","14.8247","0.0006","90","","90","","120","","32749.1","1.5","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C56 H30 O16 Zr3 -","- C56 H30 O16 Zr3 -","- C336 H180 O96 Zr18 -","6","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0692","0.0541","","","0.1522","0.1635","","","","","","0.956","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128033","23.0014","0.0004","23.0014","0.0004","18.5185","0.0005","90","","90","","120","","8484.9","0.3","100","2","100","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- C168 H90 O24 Zr9 -","- C168 H90 O24 Zr9 -","- C168 H90 O24 Zr9 -","1","0.0833333","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","","1.54178","CuKα","","0.1621","0.1346","","","0.3079","0.3414","","","","","","0.994","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128034","22.3176","0.0005","22.3176","0.0005","38.8607","0.0008","90","","90","","90","","19355.6","0.7","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C62 H24 O16 Zr3 -","- C62 H24 O16 Zr3 -","- C248 H96 O64 Zr12 -","4","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.1153","0.0512","","","0.1417","0.1649","","","","","","0.794","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128035","19.721","0.005","31.9499","0.0015","34.865","0.0015","90","","90","","90","","21968","6","99.97","0.14","99.97","0.14","","","","","","","","4","F m m m","-F 2 2","69","","","","- C40 H22 O16 Zr3 -","- C40 H22 O16 Zr3 -","- C320 H176 O128 Zr24 -","8","0.25","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","0.71","MoKα","","0.141","0.1076","","","0.2795","0.3029","","","","","","0.938","","","","has coordinates","221169","2020-10-21","18:00:00",""
"4128036","21.1397","0.0009","32.4825","0.0008","33.8974","0.0009","90","","90","","90","","23276.3","1.3","100","0.1","100","0.1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C184 H136 O64 Zr12 -","- C184 H136 O64 Zr12 -","- C368 H272 O128 Zr24 -","2","0.0625","","Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai","Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10283","10293","10.1021/jacs.9b02947","","x-ray","1.54184","CuKα","","0.0726","0.0654","","","0.1664","0.1716","","","","","","0.965","","","","has coordinates,has disorder","221169","2020-10-21","18:00:00",""
"4128037","35.725","0.002","35.725","0.002","15.2666","0.0008","90","","90","","90","","19484.4","1.8","30","2","30","2","","","","","","","","10","P 4/m m m","-P 4 2","123","","","","- C101 H174 Au2 Cl3 Cu6 N20 Ni4 O77.5 Pd2 S -","- C81 H60 Au2 Cu6 N20 Ni4 O50 Pd2 S -","- C324 H240 Au8 Cu24 N80 Ni16 O200 Pd8 S4 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.6889","Synchrotron","","0.4234","0.3098","","","0.6579","0.6865","","","","","","1.911","","","","has coordinates","221170","2020-10-21","18:00:00",""
"4128038","35.258","0.01","35.258","0.01","15.119","0.004","90","","90","","90","","18795","9","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C80.75 H139.75 Cu6 N15.25 Ni4 O70.75 Pd2 -","- C88.5 Cu6 N16 Ni4 O53 Pd2 -","- C354 Cu24 N64 Ni16 O212 Pd8 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.71073","MoKα","","0.2052","0.1275","","","0.3501","0.3816","","","","","","1.158","","","","has coordinates","221171","2020-10-21","18:00:00",""
"4128039","35.7158","0.0002","35.7158","0.0002","15.1495","0.0001","90","","90","","90","","19325","0.2","30","2","30","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C84 H163 Cu6 N16 Ni4 O81 Pd2 -","- C84 H62 Cu6 N16 Ni4 O58 Pd2 -","- C336 H248 Cu24 N64 Ni16 O232 Pd8 -","4","0.25","","Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Doménech-Carbó, Antonio; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jesús","Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10350","10360","10.1021/jacs.9b03914","","","0.6889","Synchrotron","","0.2909","0.1256","","","0.4038","0.4428","","","","","","1.036","","","","has coordinates","221172","2020-10-21","18:00:00",""
"4128040","18.4103","0.0012","23.0536","0.0015","15.5199","0.001","90","","103.463","0.002","90","","6406","0.7","100","2","100.03","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H79 B4 Cu3 F16 N15 O3.25 -","- C46 H79 B4 Cu3 F16 N15 O3.25 -","- C184 H316 B16 Cu12 F64 N60 O13 -","4","1","","Yang, Luming; He, Xin; Dincă, Mircea","Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10475","10480","10.1021/jacs.9b04822","","","0.71073","MoKα","","0.1023","0.0839","","","0.2508","0.2646","","","","","","1.034","","","","has coordinates,has disorder","221173","2020-10-21","18:00:00",""
"4128041","16.8057","0.0012","17.2937","0.0011","24.2896","0.0015","83.698","0.002","80.855","0.002","68.665","0.002","6481.6","0.7","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H71 B3 Cl Cu3 F12 N9 O6 -","- C46 H71 B3 Cl Cu3 F12 N9 O6 -","- C184 H284 B12 Cl4 Cu12 F48 N36 O24 -","4","2","","Yang, Luming; He, Xin; Dincă, Mircea","Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","26","10475","10480","10.1021/jacs.9b04822","","","0.71073","MoKα","","0.0743","0.0592","","","0.1646","0.1783","","","","","","1.027","","","","has coordinates,has disorder","221174","2020-10-21","18:00:00",""
"4128042","20.7185","0.0005","9.3045","0.0001","12.4912","0.0003","90","","133.858","0.004","90","","1736.31","0.13","93.15","","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","","Yu, Jin-Sheng; Espinosa, Miguel; Noda, Hidetoshi; Shibasaki, Masakatsu","Traceless Electrophilic Amination for the Synthesis of Unprotected Cyclic β-Amino Acids.","Journal of the American Chemical Society","2019","141","26","10530","10537","10.1021/jacs.9b05476","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0934","0.0943","","","","","","1.049","","","","has coordinates","221175","2020-10-21","18:00:00",""
"4128043","9.2478","0.0002","11.722","0.0002","28.7901","0.0005","93.79","0.001","95.306","0.001","91.105","0.001","3099.74","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H79 Cl N6 Ni O2 -","- C76 H79 Cl N6 Ni O2 -","- C152 H158 Cl2 N12 Ni2 O4 -","2","1","","Carvalho, Mary-Ambre; Dekkiche, Hervé; Nagasaki, Mayumi; Kikkawa, Yoshihiro; Ruppert, Romain","Coordination-Driven Construction of Porphyrin Nanoribbons at a Highly Oriented Pyrolytic Graphite (HOPG)/Liquid Interface.","Journal of the American Chemical Society","2019","141","26","10137","10141","10.1021/jacs.9b02145","","","1.54178","CuKα","","0.0872","0.0686","","","0.18","0.1927","","","","","","1.043","","","","has coordinates","221176","2020-10-21","18:00:00",""
"4128044","9.7265","0.0006","10.2667","0.0006","9.8174","0.0006","90","","102.588","0.002","90","","956.79","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 I N3 O5 S -","- C17 H20 I N3 O5 S -","- C34 H40 I2 N6 O10 S2 -","2","1","","Trost, Barry M.; Xu, Shiyan; Sharif, Ehesan U.","New Catalytic Asymmetric Formation of Oxygen Heterocycles Bearing Nucleoside Bases at the Anomeric Carbon.","Journal of the American Chemical Society","2019","141","26","10199","10204","10.1021/jacs.9b06050","","","0.71073","MoKα","","0.023","0.0219","","","0.0527","0.0534","","","","","","1.035","","","","has coordinates","221177","2020-10-21","18:00:00",""
"4128045","21.246","0.0004","21.246","0.0004","58.2102","0.0012","90","","90","","120","","22755.4","0.8","93","2","93.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C170.68 H116.03 Ce0.5 Co4 N36 O17.67 Zn3 -","- C170.676 H116.028 Ce0.5 Co4 N36 O17.676 Zn3 -","- C682.704 H464.112 Ce2 Co16 N144 O70.704 Zn12 -","4","0.333333","","Ube, Hitoshi; Endo, Kenichi; Sato, Hiroyasu; Shionoya, Mitsuhiko","Synthesis of Hetero-multinuclear Metal Complexes by Site-Selective Redox Switching and Transmetalation on a Homo-multinuclear Complex.","Journal of the American Chemical Society","2019","141","26","10384","10389","10.1021/jacs.9b04123","","","1.54184","CuKα","","0.1272","0.0994","","","0.2993","0.323","","","","","","1.147","","","","has coordinates,has disorder","221178","2020-10-21","18:00:00",""
"4128046","7.8714","0.001","19.446","0.002","9.6231","0.0012","90","","113.622","0.001","90","","1349.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 -","- C16 H14 N6 -","- C64 H56 N24 -","4","1","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.71073","MoKα","","0.0483","0.0379","","","0.0944","0.1027","","","","","","1.052","","","","has coordinates","221179","2020-10-21","18:00:00",""
"4128047","22.374","0.003","6.9783","0.0008","13.2425","0.0015","90","","90","","90","","2067.6","0.4","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Br Cu N3 -","- C8 H6 Br Cu N3 -","- C64 H48 Br8 Cu8 N24 -","8","0.5","","Vailonis, Kristina M.; Gnanasekaran, Karthikeyan; Powers, Xian B.; Gianneschi, Nathan C.; Jenkins, David M.","Elucidating the Growth of Metal-Organic Nanotubes Combining Isoreticular Synthesis with Liquid-Cell Transmission Electron Microscopy.","Journal of the American Chemical Society","2019","141","26","10177","10182","10.1021/jacs.9b04586","","","0.7288","synchrotron","","0.0839","0.0713","","","0.2193","0.236","","","","","","1.135","","","","has coordinates","221180","2020-10-21","18:00:00",""
"4128048","14.8961","0.0004","12.6957","0.0005","18.6653","0.0008","90","","90","","90","","3529.9","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C216 H128 N16 -","8","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0568","0.0431","","","0.0978","0.1029","","","","","","1.118","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128049","16.6965","0.0011","5.8107","0.0004","18.3992","0.0013","90","","104.082","0.004","90","","1731.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C108 H64 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0793","0.0464","","","0.1025","0.1146","","","","","","1.02","","","","has coordinates","221181","2020-10-21","18:00:00",""
"4128050","4.9489","0.0002","12.6503","0.0004","23.4534","0.0008","90","","90","","90","","1468.3","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0433","0.0362","","","0.0934","0.0969","","","","","","1.064","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128051","13.2803","0.0005","19.4633","0.0008","19.2148","0.0008","90","","97.5485","0.0014","90","","4923.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H59 F6 K N4 Ni O8 -","- C41 H59 F6 K N4 Ni O8 -","- C164 H236 F24 K4 N16 Ni4 O32 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0482","0.0345","","","0.0783","0.0841","","","","","","1.023","","","","has coordinates,has disorder","221182","2020-10-21","18:00:00",""
"4128052","12.6072","0.0011","24.653","0.003","21.555","0.002","90","","94.932","0.005","90","","6674.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 F6 K N5 Ni O7 -","- C47 H71 F6 K N5 Ni O7 -","- C188 H284 F24 K4 N20 Ni4 O28 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0488","0.0361","","","0.0826","0.09","","","","","","1.036","","","","has coordinates,has disorder","221183","2020-10-21","18:00:00",""
"4128053","18.0758","0.0008","13.725","0.0006","20.4222","0.0009","90","","90.014","0.003","90","","5066.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H67 F6 K N3 Ni O8 -","- C45 H67 F6 K N3 Ni O8 -","- C180 H268 F24 K4 N12 Ni4 O32 -","4","2","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0709","0.0481","","","0.1006","0.1088","","","","","","1.017","","","","has coordinates,has disorder","221184","2020-10-21","18:00:00",""
"4128054","10.5729","0.0008","38.111","0.003","13.4355","0.0009","90","","104.692","0.002","90","","5236.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[iPr2NNF6]NiO2N2-K[2.2.2-Kryptofix]","","- C47 H71 F6 K N6 Ni O8 -","- C47 H71 F6 K N6 Ni O8 -","- C188 H284 F24 K4 N24 Ni4 O32 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0962","0.0502","","","0.0886","0.0968","","","","","","1.039","","","","has coordinates","221185","2020-10-21","18:00:00",""
"4128055","11.6731","0.001","13.2679","0.0011","20.9329","0.0018","82.644","0.001","76.384","0.001","65.613","0.001","2868","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{[iPr2NNF6]NiOH}2","","- C58 H72 F12 N4 Ni2 O2 -","- C58 H71.548 F12 N4 Ni2 O2 -","- C116 H143.096 F24 N8 Ni4 O4 -","2","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.0676","0.0442","","","0.0991","0.1089","","","","","","1.028","","","","has coordinates,has disorder","221186","2020-10-21","18:00:00",""
"4128056","13.5093","0.0009","16.6592","0.0011","13.9913","0.0009","90","","109.349","0.001","90","","2970.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[iPr2NNF6]NiNO","","- C29 H35 F6 N3 Ni O -","- C29 H35 F6 N3 Ni O -","- C116 H140 F24 N12 Ni4 O4 -","4","1","","Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.","Nitrosyl Linkage Isomers: NO Coupling to N<sub>2</sub>O at a Mononuclear Site.","Journal of the American Chemical Society","2019","141","4","1415","1419","10.1021/jacs.8b09769","","","0.71073","MoKα","","0.036","0.0283","","","0.0696","0.0734","","","","","","1.043","","","","has coordinates","221187","2020-10-21","18:00:00",""
"4128057","5.6684","0.0002","15.2524","0.0003","10.6654","0.0003","90","","92.016","0.003","90","","921.52","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O2 S -","- C22 H22 O2 S -","- C44 H44 O4 S2 -","2","1","","Yan, Qiaozhi; Xiao, Guiying; Wang, Ying; Zi, Guofu; Zhang, Zhanbin; Hou, Guohua","Highly Efficient Enantioselective Synthesis of Chiral Sulfones by Rh-Catalyzed Asymmetric Hydrogenation.","Journal of the American Chemical Society","2019","141","4","1749","1756","10.1021/jacs.8b12657","","x-ray","1.54184","CuKα","","0.0372","0.0346","","","0.0849","0.0868","","","","","","1.037","","","","has coordinates","221188","2020-10-21","18:00:00",""
"4128058","21.2499","0.0007","21.2499","0.0007","15.2397","0.0006","90","","90","","120","","5959.7","0.4","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.5 F6 Mn0.43 O4 -","- C17 H8 Ca0.065 Co0.5 F6 Mn0.435 O4 -","- C204 H96 Ca0.78 Co6 F72 Mn5.22 O48 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0795","0.0605","","","0.1502","0.1618","","","","","","1.003","","","","has coordinates,has disorder","221189","2020-10-21","18:00:00",""
"4128059","21.25","0.002","21.25","0.002","15.3379","0.0018","90","","90","","120","","5998.1","1.1","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.27 F6 Mn0.29 O4.33 Zn0.23 -","- C17 H8 Ca0.205 Co0.27 F6 Mn0.295 O4.25 Zn0.23 -","- C204 H96 Ca2.46 Co3.24 F72 Mn3.54 O51 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1067","0.0635","","","0.1555","0.1818","","","","","","0.975","","","","has coordinates,has disorder","221190","2020-10-21","18:00:00",""
"4128060","21.2761","0.0012","21.2761","0.0012","15.1699","0.001","90","","90","","120","","5947","0.6","273","2","273.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.1 F6 Mn0.5 O4.15 Zn0.4 -","- C17 H8 Co0.0995 F6 Mn0.5 O4.15 Zn0.4005 -","- C204 H96 Co1.194 F72 Mn6 O49.8 Zn4.806 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0322","0.0307","","","0.0918","0.0928","","","","","","1.168","","","","has coordinates,has disorder","221191","2020-10-21","18:00:00",""
"4128061","21.2639","0.0012","21.2639","0.0012","15.1083","0.0012","90","","90","","120","","5916.1","0.7","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.48 F6 Mn0.35 O4 Zn0.17 -","- C17 H8 Co0.49 F6 Mn0.415 O4.25 Zn0.18 -","- C204 H96 Co5.88 F72 Mn4.98 O51 Zn2.16 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0791","0.0615","","","0.1574","0.1661","","","","","","1.053","","","","has coordinates,has disorder","221192","2020-10-21","18:00:00",""
"4128062","21.2824","0.0018","21.2824","0.0018","15.321","0.0014","90","","90","","120","","6009.8","0.9","296","2","296.15","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.21 Co0.12 F6 Mn0.29 O4 Zn0.38 -","- C17 H8 Ca0.215 Co0.115 F6 Mn0.285 O4 Zn0.385 -","- C204 H96 Ca2.58 Co1.38 F72 Mn3.42 O48 Zn4.62 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.1396","0.1315","","","0.306","0.3335","","","","","","1.655","","","","has coordinates,has disorder","221193","2020-10-21","18:00:00",""
"4128063","21.2423","0.0006","21.2423","0.0006","15.1282","0.0006","90","","90","","120","","5911.8","0.3","296","2","296.15","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Co0.36 F6 Mn0.49 O4.17 Zn0.14 -","- C17 H8 Co0.3625 F6 Mn0.4945 O4.16665 Zn0.1375 -","- C204 H96 Co4.35 F72 Mn5.934 O49.9998 Zn1.65 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0438","0.0394","","","0.1138","0.1173","","","","","","0.942","","","","has coordinates,has disorder","221194","2020-10-21","18:00:00",""
"4128064","21.2819","0.0009","21.2819","0.0009","15.1237","0.0008","90","","90","","120","","5932.1","0.5","250","","250","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H0.08 Co0.44 F6 Mn0.43 O4 Zn0.13 -","- C17 H8 Co0.371 F6 Mn0.5 O4.25 Zn0.129 -","- C204 H96 Co4.452 F72 Mn6 O51 Zn1.548 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0647","0.0535","","","0.1399","0.1488","","","","","","1.056","","","","has coordinates,has disorder","221195","2020-10-21","18:00:00",""
"4128065","21.2232","0.0006","21.2232","0.0006","15.1771","0.0006","90","","90","","120","","5920.3","0.3","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C17 H8 Ca0.04 Co0.06 F6 Mn0.46 O4.5 Zn0.44 -","- C204 H96 Ca0.48 Co0.72 F72 Mn5.52 O54 Zn5.28 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0706","0.0589","","","0.1717","0.195","","","","","","1.064","","","","has coordinates,has disorder","221196","2020-10-21","18:00:00",""
"4128066","21.2716","0.0012","21.2716","0.0012","15.1756","0.0011","90","","90","","120","","5946.7","0.6","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.07 Co0.27 F6 Mn0.43 O4.38 Zn0.23 -","- C17 H8 Ca0.065 Co0.27 F6 Mn0.435 O4.375 Zn0.23 -","- C204 H96 Ca0.78 Co3.24 F72 Mn5.22 O52.5 Zn2.76 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.085","0.0774","","","0.2006","0.2064","","","","","","1.618","","","","has coordinates,has disorder","221197","2020-10-21","18:00:00",""
"4128067","21.2398","0.0007","21.2398","0.0007","15.1793","0.0009","90","","90","","120","","5930.4","0.4","250","","250","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C17 H8 Ca0.08 Co0.14 F6 Mn0.5 O4.25 Zn0.36 -","- C17 H8 Ca0.2 Co0.155 F6 Mn0.4 O4.25 Zn0.345 -","- C204 H96 Ca2.4 Co1.86 F72 Mn4.8 O51 Zn4.14 -","12","1","","Castillo-Blas, Celia; López-Salas, Nieves; Gutiérrez, María C; Puente-Orench, Inés; Gutiérrez-Puebla, Enrique; Ferrer, M. Luisa; Monge, M Ángeles; Gándara, Felipe","Encoding Metal-Cation Arrangements in Metal-Organic Frameworks for Programming the Composition of Electrocatalytically Active Multimetal Oxides.","Journal of the American Chemical Society","2019","141","4","1766","1774","10.1021/jacs.8b12860","","","1.54178","CuKα","","0.0807","0.0676","","","0.1733","0.1841","","","","","","1.185","","","","has coordinates,has disorder","221198","2020-10-21","18:00:00",""
"4128068","12.3345","0.0006","8.4335","0.0004","9.7578","0.0005","90","","90","","90","","1015.04","0.09","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0491","0.0418","","","0.1161","0.1228","","","","","","1.065","","","","has coordinates","221199","2020-10-21","18:00:00",""
"4128069","5.1525","0.0013","5.1525","0.0013","5.1525","0.0013","90","","90","","90","","136.79","0.06","473","2","473","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C10.51 Cl O4 -","- C10.506 Cl O3.9996 -","- C10.506 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.538","0.4611","","","0.7753","0.8084","","","","","","1.017","","","","has coordinates","221200","2020-10-21","18:00:00",""
"4128070","12.6094","0.0006","9.4862","0.0005","8.0894","0.0003","90","","90","","90","","967.62","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H12 Cl N O5 -","- C7 H12 Cl N O4.9999 -","- C28 H48 Cl4 N4 O19.9996 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1099","0.1074","","","0.2924","0.2953","","","","","","1.083","","","","has coordinates","221201","2020-10-21","18:00:00",""
"4128071","6.2261","0.0015","6.2261","0.0015","6.2261","0.0015","90","","90","","90","","241.35","0.1","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O4 -","- C9.342 Cl O3.9996 -","- C9.342 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.2098","0.1693","","","0.3274","0.3513","","","","","","1.067","","","","has coordinates","221202","2020-10-21","18:00:00",""
"4128072","7.9042","0.0006","10.9593","0.0008","11.5892","0.001","90","","96.337","0.008","90","","997.77","0.14","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1173","0.088","","","0.215","0.231","","","","","","1.052","","","","has coordinates","221203","2020-10-21","18:00:00",""
"4128073","6.1928","0.0007","6.1928","0.0007","6.1928","0.0007","90","","90","","90","","237.5","0.05","93","2","93","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C10.674 Cl O3.9996 -","- C10.674 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1335","0.0999","","","0.2386","0.2536","","","","","","1.02","","","","has coordinates","221204","2020-10-21","18:00:00",""
"4128074","11.4473","0.0007","8.1623","0.0006","11.6646","0.0007","90","","90","","90","","1089.9","0.12","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 Cl N O4 -","- C8 H16 Cl N O4 -","- C32 H64 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1297","0.1208","","","0.3244","0.3355","","","","","","1.011","","","","has coordinates,has disorder","221205","2020-10-21","18:00:00",""
"4128075","12.6355","0.0012","8.692","0.0007","9.6224","0.0007","90","","90","","90","","1056.81","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 Cl N O4 -","- C8 H14 Cl N O4 -","- C32 H56 Cl4 N4 O16 -","4","0.5","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1442","0.127","","","0.3422","0.3541","","","","","","1.022","","","","has coordinates,has disorder","221206","2020-10-21","18:00:00",""
"4128076","6.3172","0.0004","6.3172","0.0004","6.3172","0.0004","90","","90","","90","","252.1","0.03","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C10.674 Cl O3.9996 -","- C10.674 Cl O3.9996 -","1","0.0208333","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.0971","0.0754","","","0.166","0.1792","","","","","","1.035","","","","has coordinates","221207","2020-10-21","18:00:00",""
"4128077","27.533","0.002","11.1178","0.0011","24.5325","0.0019","90","","113.72","0.002","90","","6875.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 N12 O35 P6 Yb2 -","- C48 H60 N12 O35 P6 Yb2 -","- C192 H240 N48 O140 P24 Yb8 -","4","0.5","","Nonat, Aline; Bahamyirou, Sylvana; Lecointre, Alexandre; Przybilla, Frédéric; Mély, Yves; Platas-Iglesias, Carlos; Camerel, Franck; Jeannin, Olivier; Charbonnière, Loïc J","Molecular Upconversion in Water in Heteropolynuclear Supramolecular Tb/Yb Assemblies.","Journal of the American Chemical Society","2019","141","4","1568","1576","10.1021/jacs.8b10932","","x-ray","0.71073","MoKα","","0.0404","0.0323","","","0.0841","0.0885","","","","","","1.151","","","","has coordinates","221208","2020-10-21","18:00:00",""
"4128078","10.5812","0.0019","13.097","0.002","15.615","0.002","90","","90","","90","","2164","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O S -","- C14 H10 O S -","- C112 H80 O8 S8 -","8","1","","Smith, Ronald A.; Fu, Guanyao; McAteer, Owen; Xu, Mizhi; Gutekunst, Will R.","Radical Approach to Thioester-Containing Polymers.","Journal of the American Chemical Society","2019","141","4","1446","1451","10.1021/jacs.8b12154","","","0.71073","MoKα","","0.0603","0.0439","","","0.117","0.1296","","","","","","1.05","","","","has coordinates","221209","2020-10-21","18:00:00",""
"4128079","5.9401","0.0001","10.656","0.0001","23.6934","0.0002","90","","90","","90","","1499.74","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0321","0.0318","","","0.0858","0.086","","","","","","1.089","","","","has coordinates","221210","2020-10-21","18:00:00",""
"4128080","8.8042","0.0003","10.5315","0.0004","10.8818","0.0004","107.99","0.004","100.432","0.003","104.927","0.004","889.2","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 Ag O11 -","- C15 H17 Ag O11 -","- C30 H34 Ag2 O22 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","x-ray","1.54184","CuKα","","0.0735","0.0691","","","0.1793","0.1836","","","","","","1.015","","","","has coordinates","221211","2020-10-21","18:00:00",""
"4128081","9.6616","0.0001","11.6145","0.0001","11.4666","0.0001","90","","96.814","0.001","90","","1277.63","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0274","0.0273","","","0.0712","0.0714","","","","","","1.033","","","","has coordinates","221212","2020-10-21","18:00:00",""
"4128082","12.1143","0.0009","25.5397","0.0019","12.3372","0.0009","90","","114.18","0.0012","90","","3482.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Ni O P2 -","- C38 H55 Ni O P2 -","- C152 H220 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0727","0.0544","","","0.1315","0.141","","","","","","1.045","","","","has coordinates","221213","2020-10-21","18:00:00",""
"4128083","12.0624","0.0011","21.708","0.002","16.2095","0.0015","90","","91.1201","0.0017","90","","4243.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 Br N Ni O P2 -","- C47 H62 Br N Ni O P2 -","- C188 H248 Br4 N4 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0664","0.0452","","","0.1019","0.1116","","","","","","1.027","","","","has coordinates","221214","2020-10-21","18:00:00",""
"4128084","14.4842","0.0006","23.5098","0.001","13.0495","0.0006","90","","115.597","0.0007","90","","4007.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H59 Br Ni O1.35 P2 -","- C43 H59 Br Ni O1.346 P2 -","- C172 H236 Br4 Ni4 O5.384 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0558","0.0385","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates,has disorder","221215","2020-10-21","18:00:00",""
"4128085","11.1268","0.0006","24.4126","0.0014","16.2109","0.0009","90","","109.568","0.0009","90","","4149.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 F3 Ni O2 P2 -","- C43 H64 F3 Ni O2 P2 -","- C172 H256 F12 Ni4 O8 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0493","0.0409","","","0.0996","0.1041","","","","","","1.025","","","","has coordinates,has disorder","221216","2020-10-21","18:00:00",""
"4128086","11.6198","0.0002","11.6198","0.0002","47.0073","0.001","90","","90","","120","","5496.59","0.18","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C38 H55 I Ni O P2 -","- C38 H55 I Ni O P2 -","- C228 H330 I6 Ni6 O6 P12 -","6","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0492","0.0433","","","0.0974","0.1019","","","","","","1.046","","","","has coordinates,has disorder","221217","2020-10-21","18:00:00",""
"4128087","11.1629","0.0009","16.8436","0.0013","17.3026","0.0013","90","","105.449","0.0013","90","","3135.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Br Ni O P2 -","- C31 H48 Br Ni O P2 -","- C124 H192 Br4 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0546","0.0394","","","0.0889","0.0947","","","","","","1.046","","","","has coordinates","221218","2020-10-21","18:00:00",""
"4128088","17.191","0.003","37.515","0.007","23.841","0.004","90","","109.287","0.002","90","","14513","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H108 N2 Ni2 O2 P4 -","- C67 H108 N2 Ni2 O2 P4 -","- C536 H864 N16 Ni16 O16 P32 -","8","2","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0701","0.0479","","","0.1122","0.1222","","","","","","1.019","","","","has coordinates,has disorder","221219","2020-10-21","18:00:00",""
"4128089","12.1524","0.0004","25.077","0.0009","12.2188","0.0004","90","","113.495","0.0005","90","","3414.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Ni O P2 -","- C37 H53 Ni O P2 -","- C148 H212 Ni4 O4 P8 -","4","1","","Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning","Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.","Journal of the American Chemical Society","2019","141","4","1788","1796","10.1021/jacs.8b13499","","","0.71073","MoKα","","0.0434","0.0347","","","0.085","0.0895","","","","","","1.027","","","","has coordinates","221220","2020-10-21","18:00:00",""
"4128090","11.1833","0.0011","12.89","0.0009","10.9328","0.0013","90","","117.046","0.013","90","","1403.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O2 S -","- C14 H13 Br N2 O2 S -","- C56 H52 Br4 N8 O8 S4 -","4","1","","Liu, Binbin; Ning, Yongquan; Virelli, Matteo; Zanoni, Giuseppe; Anderson, Edward A.; Bi, Xihe","Direct Transformation of Terminal Alkynes into Amidines by a Silver-Catalyzed Four-Component Reaction.","Journal of the American Chemical Society","2019","141","4","1593","1598","10.1021/jacs.8b11039","","","0.71073","MoKα","","0.0974","0.0555","","","0.1142","0.1351","","","","","","1.036","","","","has coordinates","221221","2020-10-21","18:00:00",""
"4128091","21.025","0.004","24.479","0.005","25.666","0.005","66.64","0.03","70.61","0.03","71.93","0.03","11193","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C177.45 H243.1 B66 N32.5 O11.35 Zn3 -","- C171.45 H232.9 B61.8 N32.5 O11.35 Zn3 -","- C342.9 H465.8 B123.6 N65 O22.7 Zn6 -","2","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.0993","0.0861","","","0.2801","0.2922","","","","","","1.082","","","","has coordinates,has disorder","221222","2020-10-21","18:00:00",""
"4128092","17.046","0.003","16.504","0.003","21.373","0.004","90","","91.51","0.03","90","","6010.7","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H106 F12 N18 O22 S4 Zn2 -","- C110 H106 F12 N18 O22 S4 Zn2 -","- C220 H212 F24 N36 O44 S8 Zn4 -","2","0.5","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.0902","0.086","","","0.2493","0.256","","","","","","1.021","","","","has coordinates,has disorder","221223","2020-10-21","18:00:00",""
"4128093","22.3184","0.001","24.7127","0.001","25.3074","0.0011","107.577","0.002","104.677","0.002","111.113","0.002","11337.5","0.9","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C168.5 H156.5 B5.5 F16.5 N31 O25.75 S5.5 Zn3 -","- C165.75 H156.5 B6 F9.75 N31 O19 S3.25 Zn3 -","- C331.5 H313 B12 F19.5 N62 O38 S6.5 Zn6 -","2","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","1.54178","CuKα","","0.1249","0.1055","","","0.2942","0.3115","","","","","","1.033","","","","has coordinates,has disorder","221224","2020-10-21","18:00:00",""
"4128094","24.9958","0.0011","35.3721","0.0014","22.2126","0.0007","90","","104.784","0.003","90","","18989.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H161.5 B6 F24 N33.5 O10.5 Zn3 -","- C166 H158.5 B6 F24 N32.5 O10.5 Zn3 -","- C664 H634 B24 F96 N130 O42 Zn12 -","4","1","","Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R.","Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies.","Journal of the American Chemical Society","2019","141","4","1707","1715","10.1021/jacs.8b12323","","","0.6889","Synchrotron","","0.1353","0.113","","","0.32","0.3385","","","","","","1.045","","","","has coordinates,has disorder","221225","2020-10-21","18:00:00",""
"4128095","12.1326","0.0011","13.0622","0.001","15.0649","0.0011","90","","98.628","0.007","90","","2360.4","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 N O3 -","- C28 H39 N O3 -","- C112 H156 N4 O12 -","4","1","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","0.71073","MoKα","","0.0945","0.0641","","","0.1757","0.1859","","","","","","1.079","","","","has coordinates","221226","2020-10-21","18:00:00",""
"4128096","7.0924","0.0004","10.832","0.0005","11.3981","0.0006","68.891","0.004","74.979","0.004","85.849","0.004","788.77","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C36 H56 O6 -","2","1","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","0.71073","MoKα","","0.0528","0.048","","","0.1228","0.1285","","","","","","1.054","","","","has coordinates","221227","2020-10-21","18:00:00",""
"4128097","11.4162","0.0003","13.3892","0.0004","18.7283","0.0005","75.681","0.002","81.697","0.002","89.964","0.002","2742.85","0.13","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C28.5 H39 Cl N O2 -","- C28.5 H39 Cl N O2 -","- C114 H156 Cl4 N4 O8 -","4","4","","Kim, Daria E.; Zweig, Joshua E.; Newhouse, Timothy R.","Total Synthesis of Paspaline A and Emindole PB Enabled by Computational Augmentation of a Transform-Guided Retrosynthetic Strategy.","Journal of the American Chemical Society","2019","141","4","1479","1483","10.1021/jacs.8b13127","","","1.54184","CuKα","","0.0582","0.0568","","","0.1574","0.1592","","","","","","1.021","","","","has coordinates,has disorder","221228","2020-10-21","18:00:00",""
"4128098","6.6127","0.0005","8.2896","0.0005","24.1826","0.0016","90","","90","","90","","1325.61","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O4 -","- C14 H11 Br O4 -","- C56 H44 Br4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Kalnmals, Christopher A.; Hung, Chao-I Joey; Tracy, Jacob S.","Direct Enantio- and Diastereoselective Vinylogous Addition of Butenolides to Chromones Catalyzed by Zn-ProPhenol.","Journal of the American Chemical Society","2019","141","4","1489","1493","10.1021/jacs.8b13367","","x-ray","0.71073","MoKα","","0.0325","0.0302","","","0.0617","0.0627","","","","","","1.168","","","","has coordinates","221229","2020-10-21","18:00:00",""
"4128099","29.8348","0.0004","29.8348","0.0004","29.8348","0.0004","90","","90","","90","","26556.4","0.6","153","","153","","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C209 H241 N2 O27 Zn8 -","- C209 H239.5 N2 O27 Zn8 -","- C627 H718.5 N6 O81 Zn24 -","3","0.125","","Zhou, Tian-You; Auer, Bernhard; Lee, Seok J.; Telfer, Shane G.","Catalysts Confined in Programmed Framework Pores Enable New Transformations and Tune Reaction Efficiency and Selectivity.","Journal of the American Chemical Society","2019","141","4","1577","1582","10.1021/jacs.8b11221","","","1.54178","CuKα","","0.1806","0.166","","","0.4414","0.4553","","","","","","1.776","","","","has coordinates,has disorder","221230","2020-10-21","18:00:00",""
"4128100","30.049","0.002","30.049","0.002","53.137","0.004","90","","90","","90","","47980","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.1487","0.0992","","","0.2509","0.2712","","","","","","0.963","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128101","30.63","0.002","30.63","0.002","53.381","0.004","90","","90","","90","","50082","6","200","2","200","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2315","0.1107","","","0.2516","0.3051","","","","","","0.915","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128102","31.034","0.002","31.034","0.002","53.217","0.004","90","","90","","90","","51254","6","100","2","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C68 H77 Co2 N4 O6 -","- C68 H77 Co2 N4 O6 -","- C1088 H1232 Co32 N64 O96 -","16","1","","Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai","Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","17","6822","6826","10.1021/jacs.9b02375","","","1.54178","CuKα","","0.2233","0.1127","","","0.2529","0.3129","","","","","","0.841","","","","has coordinates","221232","2020-10-21","18:00:00",""
"4128103","20.049","0.0006","5.46156","0.00014","25.6163","0.0008","90","","107.386","0.003","90","","2676.81","0.14","100.2","0.4","100.2","0.4","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Phipps, Erik J. T.; Rovis, Tomislav","Rh(III)-Catalyzed C-H Activation-Initiated Directed Cyclopropanation of Allylic Alcohols.","Journal of the American Chemical Society","2019","141","17","6807","6811","10.1021/jacs.9b02156","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1151","0.1212","","","","","","1.036","","","","has coordinates","221233","2020-10-21","18:00:00",""
"4128104","7.7496","0.0008","19.7233","0.0015","7.5396","0.0008","90","","114.514","0.014","90","","1048.5","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 N6 -","- C9 H16 N6 -","- C36 H64 N24 -","4","0.5","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0698","0.057","","","0.1399","0.1493","","","","","","1.114","","","","has coordinates","221234","2020-10-21","18:00:00",""
"4128105","13.4569","0.0004","12.842","0.0005","9.2876","0.0004","90","","90","","90","","1605.02","0.1","120","","120","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H27 N5 -","- C15 H27 N5 -","- C60 H108 N20 -","4","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0414","0.039","","","0.0941","0.0955","","","","","","1.07","","","","has coordinates","221235","2020-10-21","18:00:00",""
"4128106","9.6261","0.0005","10.341","0.0005","10.588","0.0006","86.497","0.004","82.129","0.004","67.729","0.005","966.1","0.09","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H30 N8 -","- C17 H30 N8 -","- C34 H60 N16 -","2","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0668","0.051","","","0.1129","0.1219","","","","","","1.075","","","","has coordinates,has disorder","221236","2020-10-21","18:00:00",""
"4128107","9.0259","0.0004","13.1063","0.0005","17.2862","0.0006","78.761","0.003","76.926","0.003","89.888","0.004","1951.79","0.14","296","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 N6 O4 Ru -","- C44 H28 N6 O4 Ru -","- C88 H56 N12 O8 Ru2 -","2","1","","Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad","Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","17","7115","7121","10.1021/jacs.9b01920","","","0.71073","MoKα","","0.1382","0.0662","","","0.0872","0.1014","","","","","","1.099","","","","has coordinates","221237","2020-10-21","18:00:00",""
"4128108","52.5621","0.0008","23.1563","0.0004","23.8286","0.0004","90","","95.335","0.001","90","","28877.2","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C288 H192 N36 O72 Ru6 Zr6 -","- C288 H192 N36 O72 Ru6 Zr6 -","- C1152 H768 N144 O288 Ru24 Zr24 -","4","0.5","","Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad","Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","17","7115","7121","10.1021/jacs.9b01920","","","0.71073","MoKα","","0.2229","0.0725","","","0.1558","0.1791","","","","","","1.022","","","","has coordinates","221238","2020-10-21","18:00:00",""
"4128109","4.6221","0.0009","7.3099","0.0015","29.54","0.006","90","","90","","90","","998.1","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 I N O -","- C10 H10 I N O -","- C40 H40 I4 N4 O4 -","4","1","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0255","0.0241","","","0.0532","0.0541","","","","","","1.034","","","","has coordinates","221239","2020-10-21","18:00:00",""
"4128110","14.374","0.003","20.416","0.004","20.775","0.004","90","","90","","90","","6097","2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl Ir N3 O3 -","- C33 H35 Cl Ir N3 O3 -","- C264 H280 Cl8 Ir8 N24 O24 -","8","2","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0564","0.0507","","","0.0968","0.0996","","","","","","1.109","","","","has coordinates","221240","2020-10-21","18:00:00",""
"4128111","12.6425","0.0003","20.1905","0.0004","38.4232","0.0007","90","","93.211","0.001","90","","9792.4","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Cl8 F6 N6 O3 Ru3 S6 -","- C100 H92 Cl8 F6 N6 O3 Ru3 S6 -","- C400 H368 Cl32 F24 N24 O12 Ru12 S24 -","4","1","","Liu, Zhenxing; Xu, Chaofan; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Ru-Based Catechothiolate Complexes Bearing an Unsaturated NHC Ligand: Effective Cross-Metathesis Catalysts for Synthesis of ( Z)-α,β-Unsaturated Esters, Carboxylic Acids, and Primary, Secondary, and Weinreb Amides.","Journal of the American Chemical Society","2019","141","17","7137","7146","10.1021/jacs.9b02318","","","1.54178","CuKα","","0.0742","0.0662","","","0.1724","0.1776","","","","","","1.131","","","","has coordinates,has disorder","221241","2020-10-21","18:00:00",""
"4128112","15.3861","0.0007","17.6259","0.0008","24.9415","0.0012","90","","107.801","0.002","90","","6440.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H60 Cl4 F4 N4 O3 Ru2 S4 -","- C67 H60 Cl4 F4 N4 O3 Ru2 S4 -","- C268 H240 Cl16 F16 N16 O12 Ru8 S16 -","4","1","","Liu, Zhenxing; Xu, Chaofan; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Ru-Based Catechothiolate Complexes Bearing an Unsaturated NHC Ligand: Effective Cross-Metathesis Catalysts for Synthesis of ( Z)-α,β-Unsaturated Esters, Carboxylic Acids, and Primary, Secondary, and Weinreb Amides.","Journal of the American Chemical Society","2019","141","17","7137","7146","10.1021/jacs.9b02318","","","1.54178","CuKα","","0.0361","0.035","","","0.0905","0.0914","","","","","","1.025","","","","has coordinates,has disorder","221242","2020-10-21","18:00:00",""
"4128113","10.7639","0.0007","21.7165","0.0014","31.819","0.002","90","","90","","90","","7437.8","0.8","100","2","100.11","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Ca Co N6 O17 -","- C29 H46 Ca Co N6 O17 -","- C232 H368 Ca8 Co8 N48 O136 -","8","1","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1447","0.135","","","0.284","0.288","","","","","","1.204","","","","has coordinates,has disorder","221243","2020-10-21","18:00:00",""
"4128114","35.066","0.007","35.066","0.007","35.066","0.007","90","","90","","90","","43118","15","100","2","99.98","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C55 H76.36 Co2 N8 O18.1 -","- C55 H76.36 Co2 N8 O18.106 -","- C1320 H1832.64 Co48 N192 O434.544 -","24","0.5","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1196","0.0805","","","0.2235","0.2755","","","","","","1.064","","","","has coordinates,has disorder","221244","2020-10-21","18:00:00",""
"4128115","34.793","0.003","34.793","0.003","34.793","0.003","90","","90","","90","","42119","6","100","2","100","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C52 H72 Co2 N9 Na2 O21 -","- C52 H72 Co2 N9 Na2 O21 -","- C1248 H1728 Co48 N216 Na48 O504 -","24","0.5","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1662","0.1523","","","0.4727","0.4885","","","","","","2.32","","","","has coordinates","221245","2020-10-21","18:00:00",""
"4128116","11.7944","0.0002","17.3479","0.0003","25.4626","0.0003","107.716","0.001","94.056","0.001","107.82","0.001","4646.92","0.13","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","- C198 H198 N12 O6 S6 -","3","1.5","","Chandrabose, Sreelakshmi; Chen, Kai; Barker, Alex J.; Sutton, Joshua J.; Prasad, Shyamal K. K.; Zhu, Jingshuai; Zhou, Jiadong; Gordon, Keith C.; Xie, Zengqi; Zhan, Xiaowei; Hodgkiss, Justin M.","High Exciton Diffusion Coefficients in Fused Ring Electron Acceptor Films.","Journal of the American Chemical Society","2019","141","17","6922","6929","10.1021/jacs.8b12982","","x-ray","1.54184","CuKα","","0.0532","0.047","","","0.1289","0.1333","","","","","","1.046","","","","has coordinates","221246","2020-10-21","18:00:00",""
"4128117","21.166","0.0004","21.8072","0.0004","35.8636","0.0007","90.804","0.002","102.438","0.002","104.311","0.002","15623.8","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C177.5 H139.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 -","- C177.5 H136.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 -","- C355 H273 F9 I18 N98.5 O9 P8 S3 Zn12 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.15","0.1265","","","0.351","0.3638","","","","","","1.031","","","","has coordinates,has disorder","221247","2020-10-21","18:00:00",""
"4128118","42.046","0.0001","42.046","0.0001","107.4786","0.0004","90","","90","","120","","164552","0.8","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C196 H180 Fe4 N63 O37.17 P4.67 S4 -","- C196 H138 Fe4 N63 O29.1667 P4.66667 S2 -","- C3528 H2484 Fe72 N1134 O525 P84 S36 -","18","0.5","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1191","0.1045","","","0.3225","0.3396","","","","","","1.306","","","","has coordinates,has disorder","221248","2020-10-21","18:00:00",""
"4128119","21.1855","0.0002","24.1723","0.0002","33.8253","0.0003","89.961","0.001","84.215","0.001","65.895","0.001","15715.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 -","- C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 -","- C457 H373.5 F27 I17 N106 Ni10.2 O18 P8 S9 -","2","1","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior.","Journal of the American Chemical Society","2019","141","17","6837","6842","10.1021/jacs.9b02604","","","0.6889","Synchrotron","","0.1093","0.0901","","","0.2854","0.3003","","","","","","1.004","","","","has coordinates,has disorder","221249","2020-10-21","18:00:00",""
"4128120","4.9802","0.0006","22.13","0.003","28.504","0.003","90","","90","","90","","3141.5","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Br N O5 -","- C31 H48 Br N O5 -","- C124 H192 Br4 N4 O20 -","4","1","","Liu, Cui-Ping; Xie, Cheng-Ying; Zhao, Jin-Xin; Ji, Kai-Long; Lei, Xin-Xiang; Sun, Han; Lou, Li-Guang; Yue, Jian-Min","Dysoxylactam A: A Macrocyclolipopeptide Reverses P-Glycoprotein-Mediated Multidrug Resistance in Cancer Cells.","Journal of the American Chemical Society","2019","141","17","6812","6816","10.1021/jacs.9b02259","","","0.71073","MoKα","","0.0987","0.0465","","","0.0553","0.0648","","","","","","0.996","","","","has coordinates","221250","2020-10-21","18:00:00",""
"4128121","23.055","0.003","23.056","0.002","23.99","0.003","90","","90","","90","","12752","3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C160 H200 Cl26 Li6 N4 O40 P4 Pd4 S8 -","- C320 H400 Cl52 Li12 N8 O80 P8 Pd8 S16 -","2","0.5","","Liu, Qian; Jordan, Richard F.","Sterically Controlled Self-Assembly of a Robust Multinuclear Palladium Catalyst for Ethylene Polymerization.","Journal of the American Chemical Society","2019","141","17","6827","6831","10.1021/jacs.9b02465","","","0.71073","MoKα","","0.0788","0.0563","","","0.1297","0.1371","","","","","","1.045","","","","has coordinates,has disorder","221251","2020-10-21","18:00:00",""
"4128122","10.779","0.003","14.999","0.004","25.118","0.006","90","","90","","90","","4060.9","1.8","360","2","360","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-anthracenyl-1,2,3,5-dithiadiazolyl","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1719","0.0852","","","0.1532","0.1999","","","","","","1.063","","","","has coordinates","221252","2020-10-21","18:00:00",""
"4128123","10.212","0.005","7.996","0.004","15.782","0.006","90","","100.49","0.03","90","","1267.1","1","280","2","280","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.1465","0.0916","","","0.2508","0.3097","","","","","","1.079","","","","has coordinates","221253","2020-10-21","18:00:00",""
"4128124","14.762","0.008","10.712","0.006","8.346","0.005","90","","97.792","0.016","90","","1307.6","1.3","253","2","253","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.2058","0.1262","","","0.2697","0.3198","","","","","","1.066","","","","has coordinates","221254","2020-10-21","18:00:00",""
"4128125","14.7027","0.0011","10.7141","0.0007","8.2871","0.0005","90","","98.771","0.004","90","","1290.17","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl ?","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.1104","0.0864","","","0.2206","0.2334","","","","","","1.064","","","","has coordinates","221255","2020-10-21","18:00:00",""
"4128126","10.7397","0.0013","14.859","0.002","24.974","0.003","90","","90","","90","","3985.4","0.9","310","2","310","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl-1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1522","0.09","","","0.207","0.253","","","","","","1.057","","","","has coordinates","221256","2020-10-21","18:00:00",""
"4128127","10.7459","0.0011","14.8885","0.0018","25.019","0.003","90","","90","","90","","4002.8","0.8","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1534","0.0869","","","0.2114","0.2636","","","","","","1.073","","","","has coordinates","221257","2020-10-21","18:00:00",""
"4128128","13.412","0.002","14.723","0.003","13.429","0.002","90","","104.666","0.005","90","","2565.4","0.8","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1131","0.0642","","","0.1504","0.1809","","","","","","1.109","","","","has coordinates","221258","2020-10-21","18:00:00",""
"4128129","14.672","0.007","10.673","0.005","8.294","0.004","90","","98.49","0.014","90","","1284.6","1.1","195","2","195","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1701","0.1147","","","0.2884","0.3473","","","","","","1.037","","","","has coordinates","221259","2020-10-21","18:00:00",""
"4128130","13.4489","0.0013","14.7539","0.0015","13.4604","0.0013","90","","104.725","0.003","90","","2583.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C120 H72 N16 S16 -","8","2","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.0695","0.0554","","","0.1407","0.1509","","","","","","1.073","","","","has coordinates","221260","2020-10-21","18:00:00",""
"4128131","14.788","0.014","10.794","0.01","8.355","0.008","90","","97.334","0.009","90","","1323","2","273","2","273.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1603","0.1107","","","0.2666","0.3015","","","","","","1.099","","","","has coordinates","221261","2020-10-21","18:00:00",""
"4128132","10.2054","0.0003","7.9074","0.0002","15.6084","0.0004","90","","100.069","0.001","90","","1240.17","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","1.54178","CuKα","","0.0965","0.0841","","","0.2117","0.2314","","","","","","1.111","","","","has coordinates","221262","2020-10-21","18:00:00",""
"4128133","14.79","0.008","10.719","0.005","8.355","0.004","90","","97.001","0.015","90","","1314.7","1.1","295","2","295.03","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C60 H36 N8 S8 -","4","1","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.218","0.1285","","","0.3181","0.4059","","","","","","1.034","","","","has coordinates","221263","2020-10-21","18:00:00",""
"4128134","22.2409","0.0011","16.5648","0.0011","22.3829","0.0013","90","","90","","90","","8246.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C64 H132 Al2 Li2 O8 P4 Si4 -","- C256 H528 Al8 Li8 O32 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.1097","0.078","","","0.2033","0.2225","","","","","","1.055","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128135","16.4422","0.0002","20.0536","0.0003","27.5154","0.0004","90","","90","","90","","9072.5","0.2","180","0.3","180","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C304 H608 Al8 Li8 O40 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0826","0.0738","","","0.1997","0.2094","","","","","","1.04","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128136","14.9811","0.0002","16.4506","0.0003","17.9869","0.0003","90","","90","","90","","4432.84","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H74 Al2 P4 Si4 -","- C34 H74 Al2 P4 Si4 -","- C136 H296 Al8 P16 Si16 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0831","0.0779","","","0.2042","0.2104","","","","","","1.061","","","","has coordinates,has disorder","221264","2020-10-21","18:00:00",""
"4128137","15.9907","0.0014","12.3762","0.0011","10.9542","0.0009","90","","95.493","0.007","90","","2157.9","0.3","179.9","0.4","179.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 K O P Si2 -","- C16 H32 K O P Si2 -","- C64 H128 K4 O4 P4 Si8 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0996","0.0655","","","0.1299","0.1429","","","","","","1.041","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128138","14.5868","0.0003","15.2506","0.0003","19.9075","0.0005","90","","104.964","0.002","90","","4278.39","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 I P Si2 -","- C14 H30 I P Si2 -","- C112 H240 I8 P8 Si16 -","8","2","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0627","0.049","","","0.1248","0.1338","","","","","","1.043","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128139","8.4206","0.0002","8.4206","0.0002","13.1696","0.0003","90","","90","","120","","808.7","0.03","120","2","120","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C10 H14 Fe N4 -","- C10 H14 Fe N4 -","- C30 H42 Fe3 N12 -","3","0.5","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0299","0.0266","","","0.0493","0.0513","","","","","","1.109","","","","has coordinates","221265","2020-10-21","18:00:00",""
"4128140","17.1656","0.0002","17.1656","0.0002","17.1656","0.0002","90","","90","","90","","5057.98","0.1","120","2","120.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Fe N4 -","- C8 H10 Fe N4 -","- C96 H120 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","","0.71073","MoKα","","0.0737","0.0482","","","0.1381","0.1456","","","","","","1.507","","","","has coordinates,has disorder","221266","2020-10-21","18:00:00",""
"4128141","9.2434","0.0014","9.3503","0.0013","15.9876","0.0018","90","","90","","90","","1381.8","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N4 -","- C16 H14 Fe N4 -","- C64 H56 Fe4 N16 -","4","1","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0574","0.0554","","","0.1323","0.1368","","","","","","1.065","","","","has coordinates","221267","2020-10-21","18:00:00",""
"4128142","8.0015","0.0004","10.2072","0.0006","14.8838","0.0008","90","","90.669","0.003","90","","1215.52","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Lee, Chung Whan; Taylor, Buck L. H.; Petrova, Galina P.; Patel, Ashay; Morokuma, Keiji; Houk, K. N.; Stoltz, Brian M.","An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.","Journal of the American Chemical Society","2019","141","17","6995","7004","10.1021/jacs.9b01146","","","0.71073","MoKα","","0.0511","0.0379","","","0.1076","0.1117","","","","","","1.756","","","","has coordinates","221268","2020-10-21","18:00:00",""
"4128143","19.3346","0.001","21.5305","0.0011","9.9784","0.0005","90.199","0.003","93.729","0.003","90.81","0.003","4144.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C176 H208 N16 O32 S8 -","8","4","","Lee, Chung Whan; Taylor, Buck L. H.; Petrova, Galina P.; Patel, Ashay; Morokuma, Keiji; Houk, K. N.; Stoltz, Brian M.","An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.","Journal of the American Chemical Society","2019","141","17","6995","7004","10.1021/jacs.9b01146","","","0.71073","MoKα","","0.1406","0.0907","","","0.2272","0.2638","","","","","","1.037","","","","has coordinates","221269","2020-10-21","18:00:00",""
"4128144","13.567","0.005","21.132","0.008","10.077","0.004","90","","107.266","0.006","90","","2758.9","1.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 Si -","- C29 H38 N2 O3 Si -","- C116 H152 N8 O12 Si4 -","4","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.065","0.0454","","","0.1214","0.1362","","","","","","1.041","","","","has coordinates","221270","2020-10-21","18:00:00",""
"4128145","13.1415","0.0011","10.9429","0.0007","12.8855","0.0009","90","","113.53","0.009","90","","1698.9","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.115","0.0615","","","0.1252","0.1642","","","","","","1.074","","","","has coordinates","221271","2020-10-21","18:00:00",""
"4128146","33.295","0.003","11.0183","0.0007","12.8497","0.0008","90","","99.527","0.007","90","","4649","0.6","294.1","0.7","294.1","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C216 H228 Cl12 N24 O12 -","12","3","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.1704","0.0792","","","0.1619","0.2178","","","","","","1.025","","","","has coordinates,has disorder","221272","2020-10-21","18:00:00",""
"4128147","13.263","0.003","11.842","0.002","15.897","0.003","90","","110.521","0.003","90","","2338.4","0.8","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.71073","MoKα","","0.1041","0.0667","","","0.1846","0.2129","","","","","","1.052","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4128148","8.1557","0.0004","11.787","0.0007","16.3493","0.0009","85.937","0.005","89.698","0.004","85.953","0.004","1563.82","0.15","291.59","0.1","291.59","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0834","0.068","","","0.1983","0.2099","","","","","","1.108","","","","has coordinates","221274","2020-10-21","18:00:00",""
"4128149","23.649","0.003","7.8636","0.0004","20.272","0.002","90","","126.277","0.018","90","","3039.2","0.9","290.7","0.16","290.7","0.16","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C136 H168 N8 O16 -","8","1","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","","0.7107","MoKα","","0.0971","0.0619","","","0.1506","0.1738","","","","","","1.044","","","","has coordinates","221275","2020-10-21","18:00:00",""
"4128150","10.91514","0.00018","12.1031","0.0002","32.0994","0.0006","90","","95.1628","0.0016","90","","4223.35","0.13","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun","Enantioselective Total Synthesis of (+)-Arboridinine.","Journal of the American Chemical Society","2019","141","17","7147","7154","10.1021/jacs.9b02362","","x-ray","1.54184","CuKα","","0.0393","0.0378","","","0.0993","0.1013","","","","","","1.036","","","","has coordinates","221276","2020-10-21","18:00:00",""
"4128151","6.1734","0.0002","12.3999","0.0004","20.4254","0.0006","97.203","0.001","97.059","0.001","99.727","0.001","1512.23","0.08","100","","100","","","","","","","","","5","P 1","P 1","1","","4-(1-((4-methoxybenzyl)-l4-azanyl)propan-2-yl)-4l4-morpholine, 4-methylbenzenesulfonate salt","","- C29 H40 N2 O8 S2 -","- C29 H40 N2 O8 S2 -","- C58 H80 N4 O16 S4 -","2","2","","Vanable, Evan P.; Kennemur, Jennifer L.; Joyce, Leo A.; Ruck, Rebecca T.; Schultz, Danielle M.; Hull, Kami L.","Rhodium-Catalyzed Asymmetric Hydroamination of Allyl Amines.","Journal of the American Chemical Society","2019","141","2","739","742","10.1021/jacs.8b09811","","","0.71073","MoKα","","0.0498","0.0413","","","0.0955","0.1007","","","","","","1.052","","","","has coordinates,has disorder","221277","2020-10-21","18:00:00",""
"4128152","10.5503","0.0004","9.1488","0.0004","12.4459","0.0005","90","","98.766","0.003","90","","1187.28","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C44 H66 N2 O12 S2 -","2","1","","Tan, Dan; Jamieson, Cooper S.; Ohashi, Masao; Tang, Man-Cheng; Houk, K. N.; Tang, Yi","Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B.","Journal of the American Chemical Society","2019","141","2","769","773","10.1021/jacs.8b12010","","","1.54178","CuKα","","0.0418","0.0346","","","0.078","0.081","","","","","","1.046","","","","has coordinates","221278","2020-10-21","18:00:00",""
"4128153","9.7653","0.0009","9.7181","0.0009","13.3075","0.0012","90","","98.833","0.001","90","","1247.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","0.71073","MoKα","","0.0454","0.0433","","","0.1111","0.1133","","","","","","1.072","","","","has coordinates","221279","2020-10-21","18:00:00",""
"4128154","7.7866","0.0003","15.2172","0.0007","10.1883","0.0005","90","","112.279","0.003","90","","1117.09","0.09","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0492","0.04","","","0.0984","0.1006","","","","","","0.958","","","","has coordinates","221280","2020-10-21","18:00:00",""
"4128155","33.1593","0.0015","8.7821","0.0004","23.3882","0.001","90","","129.718","0.002","90","","5238.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26.5 H37.5 Cl N3 O2 -","- C26.5 H37.5 Cl N3 O2 -","- C212 H300 Cl8 N24 O16 -","8","2","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.0541","0.046","","","0.1164","0.1199","","","","","","1.046","","","","has coordinates,has disorder","221282","2020-10-21","18:00:00",""
"4128156","9.422","0.0003","9.3471","0.0003","12.8767","0.0005","90","","99.966","0.002","90","","1116.92","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","1.54178","CuKα","","0.042","0.0389","","","0.0921","0.0934","","","","","","1.098","","","","has coordinates","221284","2020-10-21","18:00:00",""
"4128157","10.609","0.0009","7.879","0.0006","17.4437","0.0014","90","","97.679","0.002","90","","1445","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cu N4 O8 -","- C26 H38 Cu N4 O8 -","- C52 H76 Cu2 N8 O16 -","2","0.5","","Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.","Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.","Journal of the American Chemical Society","2019","141","6","2274","2278","10.1021/jacs.9b00396","","","0.71073","MoKα","","0.0663","0.0371","","","0.0994","0.1119","","","","","","1.013","","","","has coordinates","221286","2020-10-21","18:00:00",""
"4128158","9.9276","0.0001","10.7525","0.0001","12.9548","0.0001","99.713","0.001","104.856","0.001","110.259","0.001","1202.35","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDAsidepdt","","","- C27 H32 Cl2 N2 O -","- C27 H32 Cl2 N2 O -","- C54 H64 Cl4 N4 O2 -","2","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54184","CuKα","","0.0397","0.0395","","","0.1062","0.1063","","","","","","1.054","","","","has coordinates","221288","2020-10-21","18:00:00",""
"4128159","9.217","0.0003","12.9842","0.0004","17.6732","0.0006","90","","90","","90","","2115.05","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MLH-B1-115","sarpong135","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54178","CuKα","","0.046","0.0402","","","0.1002","0.1044","","","","","","1.027","","","","has coordinates","221290","2020-10-21","18:00:00",""
"4128160","8.0296","0.001","10.96","0.0014","13.2363","0.0016","75.163","0.002","73.585","0.002","80.678","0.002","1075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C42 H48 N4 O12 S2 -","2","1","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","0.71073","MoKα","","0.0616","0.0379","","","0.0923","0.1059","","","","","","1.025","","","","has coordinates","221292","2020-10-21","18:00:00",""
"4128161","8.2832","0.0001","10.1297","0.0002","10.7689","0.0002","79.365","0.001","82.958","0.001","76.332","0.001","859.95","0.03","170","2","170.01","","","","","","","","","6","P 1","P 1","1","","","","- C19 H18 F N O3 S -","- C19 H18 F N O3 S -","- C38 H36 F2 N2 O6 S2 -","2","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0393","0.0384","","","0.1276","0.1289","","","","","","1.135","","","","has coordinates","221294","2020-10-21","18:00:00",""
"4128162","11.9205","0.0007","6.7662","0.0004","23.36","0.0014","90","","92.608","0.002","90","","1882.18","0.19","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","2","","Wang, Ye; Zhang, Wen-Yun; You, Shu-Li","Ketones and Aldehydes as O-Nucleophiles in Iridium-Catalyzed Intramolecular Asymmetric Allylic Substitution Reaction.","Journal of the American Chemical Society","2019","141","6","2228","2232","10.1021/jacs.8b13182","","","1.34139","GaKα","","0.0568","0.048","","","0.1211","0.1299","","","","","","1.022","","","","has coordinates","221296","2020-10-21","18:00:00",""
"4128163","9.5048","0.0003","19.9335","0.0006","12.2973","0.0004","90","","103.258","0.001","90","","2267.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O5 -","- C25 H22 F3 N O5 -","- C100 H88 F12 N4 O20 -","4","1","","Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li","Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.","Journal of the American Chemical Society","2019","141","6","2636","2644","10.1021/jacs.8b12965","","","0.71073","MoKα","","0.0734","0.0547","","","0.1332","0.1489","","","","","","1.06","","","","has coordinates","221298","2020-10-21","18:00:00",""
"4128164","8.9322","0.0004","9.3914","0.0005","10.8992","0.0006","65.743","0.002","71.707","0.002","63.078","0.002","733.98","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li","Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.","Journal of the American Chemical Society","2019","141","6","2636","2644","10.1021/jacs.8b12965","","","0.71073","MoKα","","0.063","0.0475","","","0.1123","0.1253","","","","","","1.047","","","","has coordinates","221300","2020-10-21","18:00:00",""
"4128165","23.0084","0.0005","23.0084","0.0005","18.8119","0.0007","90","","90","","90","","9958.8","0.5","150","0.1","150","0.1","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-28-BPYDC","","","- C76 H30 F24 N2 O32 Zr6 -","- C76 H30 F24 N2 O32 Zr6 -","- C152 H60 F48 N4 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","x-ray","1.54178","CuKα","","0.088","0.0806","","","0.2242","0.2318","","","","","","1.058","","","","has coordinates,has disorder","221302","2020-10-21","18:00:00",""
"4128166","22.957","0.0016","22.957","0.0016","18.806","0.002","90","","90","","90","","9911.2","1.4","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-28-BPYDC-Cu","","","- C78 H33 Cu F24 I N3 O32 Zr6 -","- C78 H33 Cu F24 I N3 O32 Zr6 -","- C156 H66 Cu2 F48 I2 N6 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54184","CuKα","","0.1693","0.1438","","","0.3202","0.3361","","","","","","0.943","","","","has coordinates,has disorder","221304","2020-10-21","18:00:00",""
"4128167","23.047","0.0012","23.047","0.0012","18.6989","0.0015","90","","90","","90","","9932.2","1.1","173","2","173","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","LIFM-80","","","- C96 H43 F24 N3 O32 Zr6 -","- C95.9996 H42.9992 F24 N2.9996 O32 Zr6 -","- C191.999 H85.9984 F48 N5.9992 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54184","CuKα","","0.1774","0.1173","","","0.2937","0.3377","","","","","","0.96","","","","has coordinates,has disorder","221305","2020-10-21","18:00:00",""
"4128168","23.0903","0.0007","23.0903","0.0007","18.738","0.0016","90","","90","","90","","9990.4","1","173","2","173","2","","","","","","","","8","P 42/m m c","-P 4c 2","131","LIFM-80(Cu)","","","- C98 H46 Cu F24 I N4 O32 Zr6 -","- C98 H46 Cu F24 I N4 O32 Zr6 -","- C196 H92 Cu2 F48 I2 N8 O64 Zr12 -","2","0.125","","Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong","Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","6","2589","2593","10.1021/jacs.8b12372","","","1.54178","CuKα","","0.1621","0.1169","","","0.3153","0.3503","","","","","","0.973","","","","has coordinates,has disorder","221306","2020-10-21","18:00:00",""
"4128169","7.7102","0.0002","12.109","0.0004","15.8056","0.0005","90","","90","","90","","1475.66","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","McLaughlin, Michael F.; Massolo, Elisabetta; Liu, Shubin; Johnson, Jeffrey S.","Enantioselective Phenolic α-Oxidation Using H<sub>2</sub>O<sub>2</sub> via an Unusual Double Dearomatization Mechanism.","Journal of the American Chemical Society","2019","141","6","2645","2651","10.1021/jacs.8b13006","","","1.54178","CuKα","","0.0284","0.0283","","","0.0933","0.0935","","","","","","0.932","","","","has coordinates","221307","2020-10-21","18:00:00",""
"4128170","12.448","0.006","16.428","0.008","19.623","0.01","72.87","0.011","78.954","0.012","70.115","0.009","3587","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H54 B F21.5 Mn N9 O8 -","- C80.7 H54 B F21.5 Mn N9 O8 -","- C161.4 H108 B2 F43 Mn2 N18 O16 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.2466","0.0723","","","0.1019","0.1437","","","","","","0.93","","","","has coordinates","221308","2020-10-21","18:00:00",""
"4128171","45.776","0.004","45.776","0.004","14.458","0.0012","90","","90","","90","","30296","5","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C138 H90 B2 F40 Mn N9 O8 -","- C138 H90 B2 F40 Mn N9 O8 -","- C1104 H720 B16 F320 Mn8 N72 O64 -","8","0.5","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.41328","synchrotron","","0.0734","0.0677","","","0.1884","0.1981","","","","","","0.955","","","","has coordinates","221309","2020-10-21","18:00:00",""
"4128172","14.626","0.003","17.578","0.004","19.915","0.004","87.379","0.007","70.556","0.005","89.075","0.006","4823","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H132 K2 Mn N13 O20 -","- C96 H132 K2 Mn N13 O20 -","- C192 H264 K4 Mn2 N26 O40 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1757","0.0758","","","0.1636","0.2103","","","","","","0.998","","","","has coordinates","221310","2020-10-21","18:00:00",""
"4128173","37.0495","0.0015","37.0495","0.0015","14.6013","0.0006","90","","90","","90","","20042.7","1.4","100","2","100","2","","","","","","","","6","I 41","I 4bw","80","","","","- C50 H48.5 Cl4 Mn N9 O8 -","- C50 H46.5 Cl4 Mn N9 O8 -","- C800 H744 Cl64 Mn16 N144 O128 -","16","2","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1112","0.0826","","","0.2053","0.2268","","","","","","1.02","","","","has coordinates","221311","2020-10-21","18:00:00",""
"4128174","14.123","0.004","15.53","0.005","16.283","0.005","78.073","0.007","80.064","0.006","89.083","0.007","3441.1","1.8","102","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H92 K Mn N11 O15 -","- C70 H92 K Mn N11 O15 -","- C140 H184 K2 Mn2 N22 O30 -","2","1","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.2102","0.0818","","","0.1993","0.2593","","","","","","0.94","","","","has coordinates","221312","2020-10-21","18:00:00",""
"4128175","39.403","0.006","39.403","0.006","16.379","0.003","90","","90","","120","","22023","6","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 O36 S2 Zr6 -","- C88 H44 O36 S2 Zr6 -","- C264 H132 O108 S6 Zr18 -","3","0.125","","Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.","Journal of the American Chemical Society","2019","141","6","2568","2576","10.1021/jacs.8b12525","","","0.71073","MoKα","","0.1503","0.1162","","","0.32","0.3451","","","","","","1.078","","","","has coordinates,has disorder","221313","2020-10-21","18:00:00",""
"4128176","38.964","0.002","38.964","0.002","16.861","0.011","90","","90","","120","","22169","15","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 O36 S2 Zr6 -","- C88 H44 O36 S2 Zr6 -","- C264 H132 O108 S6 Zr18 -","3","0.125","","Kato, Satoshi; Otake, Ken-Ichi; Chen, Haoyuan; Akpinar, Isil; Buru, Cassandra T.; Islamoglu, Timur; Snurr, Randall Q.; Farha, Omar K.","Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.","Journal of the American Chemical Society","2019","141","6","2568","2576","10.1021/jacs.8b12525","","","0.71073","MoKα","","0.1337","0.098","","","0.2698","0.2989","","","","","","1.025","","","","has coordinates","221314","2020-10-21","18:00:00",""
"4128177","19.1024","0.0002","7.84458","0.00012","32.2257","0.0005","90","","90","","90","","4829.03","0.12","109.95","0.1","109.95","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Mn N O3 -","- C28 H18 Mn N O3 -","- C224 H144 Mn8 N8 O24 -","8","1","","Hammarback, L. Anders; Robinson, Alan; Lynam, Jason M.; Fairlamb, Ian J. S.","Mechanistic Insight into Catalytic Redox-Neutral C-H Bond Activation Involving Manganese(I) Carbonyls: Catalyst Activation, Turnover, and Deactivation Pathways Reveal an Intricate Network of Steps.","Journal of the American Chemical Society","2019","141","6","2316","2328","10.1021/jacs.8b09095","","x-ray","1.54184","CuKα","","0.0637","0.0457","","","0.1022","0.1095","","","","","","1.038","","","","has coordinates","221315","2020-10-21","18:00:00",""
"4128178","12.3048","0.0011","12.3048","0.0011","21.882","0.0019","90","","90","","90","","3313.1","0.5","93","","93","","","","","","","","","8","P 41","P 4w","76","","","","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C128 H136 Cl8 F16 Ir4 N12 O8 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0248","0.0223","","","0.0461","0.0474","","","","","","0.987","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128179","14.9367","0.0007","14.9367","0.0007","27.3869","0.0017","90","","90","","120","","5291.5","0.5","123","","123","","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H32 Cl F5 N2 O2 Ru S -","- C32 H32 Cl F5 N2 O2 Ru S -","- C192 H192 Cl6 F30 N12 O12 Ru6 S6 -","6","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0387","0.0369","","","0.076","0.0767","","","","","","1.074","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128180","15.605","0.002","16.467","0.002","25.342","0.004","90","","90","","90","","6512.1","1.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl F5 N2 O2 Ru S -","- C30 H28 Cl F5 N2 O2 Ru S -","- C240 H224 Cl8 F40 N16 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0296","0.0282","","","0.0594","0.0602","","","","","","1.095","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128181","17.11","0.003","20.318","0.003","7.9383","0.0013","90","","90","","90","","2759.7","0.8","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H29 F4 N3 O2 Ru S -","- C30 H29 F4 N3 O2 Ru S -","- C120 H116 F16 N12 O8 Ru4 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0639","0.0558","","","0.1014","0.106","","","","","","1.072","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128182","15.499","0.003","16.632","0.004","25.507","0.005","90","","90","","90","","6575","2","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl F4 N3 O2 Ru S -","- C30 H30 Cl F4 N3 O2 Ru S -","- C240 H240 Cl8 F32 N24 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.1383","0.0996","","","0.2","0.2259","","","","","","1.05","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128183","35.627","0.002","9.1472","0.0007","9.3099","0.0008","90","","90","","90","","3034","0.4","293","2","293.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H32 Br2 N2 -","- C36 H32 Br2 N2 -","- C144 H128 Br8 N8 -","4","0.5","","Su, Lebin; Ren, Tianbing; Dong, Jianyu; Liu, Lixin; Xie, Shimin; Yuan, Lin; Zhou, Yongbo; Yin, Shuang-Feng","Cu(I)-Catalyzed 6- endo-dig Cyclization of Terminal Alkynes, 2-Bromoaryl Ketones, and Amides toward 1-Naphthylamines: Applications and Photophysical Properties.","Journal of the American Chemical Society","2019","141","6","2535","2544","10.1021/jacs.8b12495","","","0.71073","MoKα","","0.168","0.1479","","","0.2911","0.2998","","","","","","1.124","","","","has coordinates,has disorder","221317","2020-10-21","18:00:00",""
"4128184","9.4219","0.0002","11.7273","0.0002","20.2438","0.0003","85.146","0.001","82.356","0.001","70.742","0.002","2090.89","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Br2 Cl4 O2 P2 Pd -","- C43 H36 Br2 Cl4 O2 P2 Pd -","- C86 H72 Br4 Cl8 O4 P4 Pd2 -","2","1","","Palani, Vignesh; Hugelshofer, Cedric L.; Kevlishvili, Ilia; Liu, Peng; Sarpong, Richmond","A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone.","Journal of the American Chemical Society","2019","141","6","2652","2660","10.1021/jacs.8b13012","","","0.71073","MoKα","","0.0581","0.0448","","","0.1032","0.1085","","","","","","1.02","","","","has coordinates","221318","2020-10-21","18:00:00",""
"4128185","18.1079","0.0001","11.4361","0.0001","19.9348","0.0001","90","","95.68","","90","","4107.9","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Br2 O4 P2 Pd -","- C41 H32 Br2 O2 P2 Pd -","- C164 H128 Br8 O8 P8 Pd4 -","4","1","","Palani, Vignesh; Hugelshofer, Cedric L.; Kevlishvili, Ilia; Liu, Peng; Sarpong, Richmond","A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone.","Journal of the American Chemical Society","2019","141","6","2652","2660","10.1021/jacs.8b13012","","","1.54184","CuKα","","0.0694","0.0676","","","0.2063","0.208","","","","","","1.07","","","","has coordinates","221319","2020-10-21","18:00:00",""
"4128186","14.41","0.003","26.353","0.005","25.89","0.005","90","","100.82","0.03","90","","9657","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Gd N7 O9 -","- C104 H134 Gd N7 O9 -","- C416 H536 Gd4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0811","0.0375","","","0.0814","0.0925","","","","","","1.02","","","","has coordinates,has disorder","221320","2020-10-21","18:00:00",""
"4128187","13.8196","0.0015","14.4869","0.0016","24.637","0.003","74.072","0.003","78.911","0.003","74.159","0.003","4526","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H130 Ce N3 O9 -","- C98 H130 Ce N3 O9 -","- C196 H260 Ce2 N6 O18 -","2","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0804","0.0564","","","0.0889","0.095","","","","","","1.097","","","","has coordinates,has disorder","221321","2020-10-21","18:00:00",""
"4128188","14.4599","0.0002","26.1103","0.0004","25.9352","0.0005","90","","100.694","0.0014","90","","9621.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 N7 Nd O9 -","- C104 H134 N7 Nd O9 -","- C416 H536 N28 Nd4 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","1.54178","CuKα","","0.071","0.0614","","","0.1693","0.1815","","","","","","1.167","","","","has coordinates","221322","2020-10-21","18:00:00",""
"4128189","14.4338","0.0007","26.3116","0.0012","25.959","0.0012","90","","100.947","0.002","90","","9679.2","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 N7 O9 Sm -","- C104 H134 N7 O9 Sm -","- C416 H536 N28 O36 Sm4 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0533","0.0355","","","0.0812","0.0902","","","","","","1.027","","","","has coordinates","221323","2020-10-21","18:00:00",""
"4128190","14.45","0.002","26.24","0.004","25.935","0.004","90","","100.667","0.003","90","","9664","2","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Americium (III) Dioxophenoxazine","","","- C104 H134 Am N7 O9 -","- C104 H134 Am N7 O9 -","- C416 H536 Am4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0708","0.0535","","","0.1088","0.1137","","","","","","1.262","","","","has coordinates","221324","2020-10-21","18:00:00",""
"4128191","14.3744","0.0007","26.2457","0.0012","25.7763","0.0012","90","","100.691","0.001","90","","9555.7","0.8","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Cf N7 O9 -","- C104 H134 Cf N7 O9 -","- C416 H536 Cf4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.054","0.0354","","","0.0721","0.0787","","","","","","1.062","","","","has coordinates","221325","2020-10-21","18:00:00",""
"4128192","14.433","0.002","26.291","0.004","25.768","0.004","90","","100.908","0.004","90","","9601","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H134 Bk N7 O9 -","- C104 H134 Bk N7 O9 -","- C416 H536 Bk4 N28 O36 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Gaggioli, Carlo Alberto; Qiao, Yusen; Sperling, Joseph M.; Zeller, Matthias; Pakhira, Srimanta; Mendoza-Cortes, Jose L; Schelter, Eric J.; Albrecht-Schmitt, Thomas E; Gagliardi, Laura; Bart, Suzanne C.","Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides.","Journal of the American Chemical Society","2019","141","6","2356","2366","10.1021/jacs.8b10251","","","0.71073","MoKα","","0.0968","0.0542","","","0.1052","0.1191","","","","","","1.016","","","","has coordinates","221326","2020-10-21","18:00:00",""
"4128193","19.467","0.0003","19.467","0.0003","92.8172","0.0014","90","","90","","120","","30461.9","0.8","100","0.1","100","0.1","","","","","","","","6","P 61","P 61","169","","","","- C191 H132 Au10 F12 O6 P8 -","- C185 H132 Au10 F3 P8 -","- C1110 H792 Au60 F18 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1204","0.112","","","0.2514","0.2564","","","","","","1.023","","","","has coordinates","221329","2020-10-21","18:00:00",""
"4128194","17.4001","0.0003","35.5243","0.0005","30.561","0.0006","90","","98.414","0.002","90","","18687.2","0.6","99.99","0.16","99.99","0.16","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1502","0.1441","","","0.3511","0.3562","","","","","","1.038","","","","has coordinates","221332","2020-10-21","18:00:00",""
"4128195","17.3706","0.0002","35.3798","0.0004","30.3366","0.0004","90","","98.232","0.001","90","","18451.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C182 H128 Au9 F9 O6 P8 -","- C176 H128 Au9 P8 -","- C704 H512 Au36 P32 -","4","2","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1018","0.0976","","","0.2581","0.2636","","","","","","1.038","","","","has coordinates","221333","2020-10-21","18:00:00",""
"4128196","19.362","0.0003","19.362","0.0003","92.9191","0.0011","90","","90","","120","","30167.3","0.8","100","0.1","100","0.1","","","","","","","","7","P 65","P 65","170","","","","- C193 H136 Au10 Cl4 F12 O6 P8 -","- C189 H136 Au10 Cl4 F6 O2 P8 -","- C1134 H816 Au60 Cl24 F36 O12 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1171","0.1137","","","0.2581","0.2599","","","","","","1.097","","","","has coordinates","221334","2020-10-21","18:00:00",""
"4128197","11.4109","0.0009","11.6276","0.001","16.4067","0.0013","95.899","0.004","105.824","0.004","106.2","0.003","1973.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","1","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71075","MoKα","","0.0696","0.0465","","","0.0832","0.0935","","","","","","1.126","","","","has coordinates","275214","2022-05-08","21:02:07",""
"4128198","9.1996","0.0005","22.4437","0.0009","17.8293","0.001","90","","101.764","0.005","90","","3603.9","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H118 Ge2 Si8 -","- C60 H118 Ge2 Si8 -","- C120 H236 Ge4 Si16 -","2","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71073","MoKα","","0.0741","0.0479","","","0.1169","0.1289","","","","","","1.067","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128199","11.8587","0.0004","16.0807","0.0005","20.2574","0.0008","93.649","0.002","90.967","0.002","95.407","0.002","3837","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H118 Ge2 Si8 -","- C68 H118 Ge2 Si8 -","- C136 H236 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0482","0.0345","","","0.0848","0.0928","","","","","","1.072","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128200","24.367","0.0006","11.3524","0.0003","29.8468","0.0008","90","","111.303","0.0011","90","","7692.2","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H118 Ge2 Si8 -","- C76 H118 Ge2 Si8 -","- C304 H472 Ge8 Si32 -","4","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71075","MoKα","","0.0972","0.0575","","","0.0847","0.0978","","","","","","1.152","","","","has coordinates","221336","2020-10-21","18:00:00",""
"4128201","15.6836","0.0006","21.5547","0.0008","22.032","0.0008","86.122","0.003","82.522","0.003","89.579","0.003","7367.8","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.5 H121.5 Ge2 Si8 -","- C61.5 H121.5 Ge2 Si8 -","- C246 H486 Ge8 Si32 -","4","2","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.78254","Synchrotron","","0.1448","0.0924","","","0.2097","0.2503","","","","","","1.039","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128202","31.226","0.003","11.4284","0.0008","45.092","0.004","90","","100.488","0.005","90","","15823","2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H125 Ge2 Si8 -","- C71 H125 Ge2 Si8 -","- C568 H1000 Ge16 Si64 -","8","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.78255","Synchrotron","","0.1021","0.075","","","0.1754","0.2051","","","","","","1.056","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128203","12.7441","0.0002","15.5507","0.0002","20.9457","0.0003","69.667","0.001","75.386","0.001","68.767","0.001","3589.95","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H118 Ge2 O2 Si8 -","- C60 H118 Ge2 O2 Si8 -","- C120 H236 Ge4 O4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71073","MoKα","","0.0326","0.0263","","","0.0609","0.0634","","","","","","1.018","","","","has coordinates","275200","2022-05-07","03:22:26",""
"4128204","12.4071","0.0003","18.3949","0.0004","19.3957","0.0008","69.422","0.002","72.001","0.002","74.049","0.001","3872.1","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H127 Ge2 Si8 -","- C65 H127 Ge2 Si8 -","- C130 H254 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0505","0.0396","","","0.0915","0.0997","","","","","","1.069","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128205","17.1325","0.0002","23.6837","0.0003","18.3085","0.0003","90","","98.113","0.001","90","","7354.52","0.18","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H118 Ge2 O2 Si8 -","- C61 H118 Ge2 O2 Si8 -","- C244 H472 Ge8 O8 Si32 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.0723","0.052","","","0.1306","0.1454","","","","","","1.026","","","","has coordinates,has disorder","275215","2022-05-08","21:05:18",""
"4128206","18.2543","0.0012","24.2181","0.001","20.2933","0.0011","90","","106.345","0.002","90","","8608.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H141 Ge2 Si8 -","- C69 H141 Ge2 Si8 -","- C276 H564 Ge8 Si32 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro","Reversible Isomerizations between 1,4-Digermabenzenes and 1,4-Digerma-Dewar-benzenes: Air-Stable Activators for Small Molecules.","Journal of the American Chemical Society","2019","141","6","2263","2267","10.1021/jacs.9b00129","","","0.71069","MoKα","","0.1653","0.0953","","","0.2856","0.3436","","","","","","1.07","","","","has coordinates,has disorder","221336","2020-10-21","18:00:00",""
"4128207","39.1358","0.0008","8.3463","0.0001","8.1804","0.0001","90","","90","","90","","2672.04","0.07","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","0.71073","MoKα","","0.0295","0.027","","","0.0631","0.0644","","","","","","1.067","","","","has coordinates","221337","2020-10-21","18:00:00",""
"4128208","39.4594","0.0013","8.4214","0.0002","8.3557","0.0002","90","","90","","90","","2776.63","0.13","355","2","355","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.25","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","1.54184","CuKα","","0.0615","0.0543","","","0.1512","0.1646","","","","","","1.052","","","","has coordinates","221338","2020-10-21","18:00:00",""
"4128209","16.3025","0.0005","8.4734","0.0002","20.1181","0.0007","90","","101.383","0.003","90","","2724.4","0.14","200","0.1","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Ir N O2 S -","- C27 H42 Ir N O2 S -","- C108 H168 Ir4 N4 O8 S4 -","4","1","","Lei, Honghui; Rovis, Tomislav","Ir-Catalyzed Intermolecular Branch-Selective Allylic C-H Amidation of Unactivated Terminal Olefins.","Journal of the American Chemical Society","2019","141","6","2268","2273","10.1021/jacs.9b00237","","x-ray","0.71073","MoKα","","0.0491","0.0341","","","0.0552","0.0616","","","","","","1.025","","","","has coordinates","221339","2020-10-21","18:00:00",""
"4128210","11.233","0.0015","13.617","0.002","13.798","0.002","84.553","0.006","70.61","0.005","81.993","0.006","1968.7","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl O P Pt -","- C44 H39 Cl2 O P Pt -","- C88 H78 Cl4 O2 P2 Pt2 -","2","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0329","0.031","","","0.0717","0.073","","","","","","1.051","","","","has coordinates","221340","2020-10-21","18:00:00",""
"4128211","9.95","0.003","19.942","0.006","17.567","0.006","90","","104.988","0.004","90","","3367.1","1.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PtMe2_Ptethered","","","- C44 H37 O P Pt -","- C44 H37 O P Pt -","- C176 H148 O4 P4 Pt4 -","4","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0946","0.0864","","","0.1565","0.1598","","","","","","1.301","","","","has coordinates,has disorder","221341","2020-10-21","18:00:00",""
"4128212","12.32","0.003","17.797","0.004","17.235","0.004","90","","91.204","0.003","90","","3778.1","1.5","123","","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H34 F3 O3 P Pt -","- C45 H34 F3 O3 P Pt -","- C180 H136 F12 O12 P4 Pt4 -","4","1","","Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko","Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.","Journal of the American Chemical Society","2019","141","6","2247","2250","10.1021/jacs.8b13829","","","0.71075","MoKα","","0.0877","0.0626","","","0.1118","0.1258","","","","","","1.087","","","","has coordinates","221342","2020-10-21","18:00:00",""
"4128213","17.5592","0.001","20.0983","0.0012","20.2944","0.0011","90","","99.695","0.001","90","","7059.8","0.7","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 B F24 Ir P -","- C74 H69 B F24 Ir P -","- C296 H276 B4 F96 Ir4 P4 -","4","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0288","0.0239","","","0.0597","0.0623","","","","","","1.043","","","","has coordinates","221343","2020-10-21","18:00:00",""
"4128214","12.8963","0.0005","19.5146","0.0008","13.2343","0.0005","90","","96.898","0.001","90","","3306.5","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H54 B Cl F24 Ir P -","- C66 H54 B Cl F24 Ir P -","- C132 H108 B2 Cl2 F48 Ir2 P2 -","2","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0227","0.0217","","","0.0565","0.0572","","","","","","1.046","","","","has coordinates,has disorder","221344","2020-10-21","18:00:00",""
"4128215","12.4064","0.0002","26.1504","0.0004","22.9127","0.0004","90","","99.377","0.001","90","","7334.3","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H71 B Cl2 F24 Ir P -","- C75 H71 B Cl2 F24 Ir P -","- C300 H284 B4 Cl8 F96 Ir4 P4 -","4","1","","Moreno, Juan J.; Espada, María F; Campos, Jesús; López-Serrano, Joaquín; Macgregor, Stuart A.; Carmona, Ernesto","Base-Promoted, Remote C-H Activation at a Cationic (η<sup>5</sup>-C<sub>5</sub>Me<sub>5</sub>)Ir(III) Center Involving Reversible C-C Bond Formation of Bound C<sub>5</sub>Me<sub>5</sub>.","Journal of the American Chemical Society","2019","141","6","2205","2210","10.1021/jacs.8b11752","","","0.71073","MoKα","","0.0653","0.0423","","","0.1021","0.1131","","","","","","1.029","","","","has coordinates","221345","2020-10-21","18:00:00",""
"4128216","10.558","0.004","7.3823","0.001","22.505","0.004","90","","100.12","0.02","90","","1726.8","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H49 N5 O8 Si2 -","- C27 H49 N5 O8 Si2 -","- C54 H98 N10 O16 Si4 -","2","1","","Ushimaru, Richiro; Liu, Hung-Wen","Biosynthetic Origin of the Atypical Stereochemistry in the Thioheptose Core of Albomycin Nucleoside Antibiotics.","Journal of the American Chemical Society","2019","141","6","2211","2214","10.1021/jacs.8b12565","","","1.54184","CuKα","","0.1626","0.1036","","","0.2184","0.2609","","","","","","1.01","","","","has coordinates","221346","2020-10-21","18:00:00",""
"4128217","14.7106","0.0004","14.7106","0.0004","14.6565","0.0007","90","","90","","120","","2746.77","0.17","100","2","100","2","","","","","","","","3","P 32","P 32","145","mestranol rotor","(8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol","","- C48 H54 O4 -","- C48 H54 O4 -","- C144 H162 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.7749","synchrotron","","0.0507","0.0419","","","0.0932","0.098","","","","","","1.048","","","","has coordinates,has disorder","221347","2020-10-21","18:00:00",""
"4128218","14.758","0.004","14.758","0.004","14.683","0.004","90","","90","","120","","2769.5","1.3","100","2","100","2","","","","","","","","4","P 32","P 32","145","Solid solution 1(1-x)2x, x=0.2 where 1 is the mestranol rotor and 2 is the difluoromestranol rotor","Solid solution of (8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-17,17'-(1,4-phenylenebis(ethyne-2,1-diyl))bis(3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (80%) and solute, same compound containing 2,3-difluorophenylene, (20%)","","- C48 H53.6 F0.4 O4 -","- C48 H53.6 F0.4 O4 -","- C144 H160.8 F1.2 O12 -","3","1","","Pérez-Estrada, Salvador; Rodríguez-Molina, Braulio; Maverick, Emily F.; Khan, Saeed I.; Garcia-Garibay, Miguel A","Throwing in a Monkey Wrench to Test and Determine Geared Motion in the Dynamics of a Crystalline One-Dimensional (1D) Columnar Rotor Array.","Journal of the American Chemical Society","2019","141","6","2413","2420","10.1021/jacs.8b11385","","","0.71073","MoKα","","0.0712","0.0509","","","0.1082","0.119","","","","","","1.047","","","","has coordinates,has disorder","221348","2020-10-21","18:00:00",""
"4128219","23.454","0.007","11.71","0.003","23.712","0.007","90","","110.676","0.012","90","","6093","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 N2 Si4 Ti4 -","- C54 H94 N2 Si4 Ti4 -","- C216 H376 N8 Si16 Ti16 -","4","0.5","","Shima, Takanori; Luo, Gen; Hu, Shaowei; Luo, Yi; Hou, Zhaomin","Experimental and Computational Studies of Dinitrogen Activation and Hydrogenation at a Tetranuclear Titanium Imide/Hydride Framework.","Journal of the American Chemical Society","2019","141","6","2713","2720","10.1021/jacs.8b13341","","","0.71073","MoKα","","0.1105","0.0695","","","0.1808","0.2101","","","","","","1.028","","","","has coordinates","221349","2020-10-21","18:00:00",""
"4128220","24.388","0.005","12.082","0.002","21.574","0.004","90","","108.838","0.003","90","","6016.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 N4 Si4 Ti4 -","- C54 H94 N4 Si4 Ti4 -","- C216 H376 N16 Si16 Ti16 -","4","0.5","","Shima, Takanori; Luo, Gen; Hu, Shaowei; Luo, Yi; Hou, Zhaomin","Experimental and Computational Studies of Dinitrogen Activation and Hydrogenation at a Tetranuclear Titanium Imide/Hydride Framework.","Journal of the American Chemical Society","2019","141","6","2713","2720","10.1021/jacs.8b13341","","","0.71073","MoKα","","0.109","0.0503","","","0.0939","0.1059","","","","","","0.827","","","","has coordinates","221349","2020-10-21","18:00:00",""
"4128221","17.2175","0.0007","17.2175","0.0007","41.838","0.002","90","","90","","90","","12402.6","0.9","100","2","100.02","","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H66 N2 O2 Zr -","- C40 H66 N2 O2 Zr -","- C480 H792 N24 O24 Zr12 -","12","3","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0897","0.0706","","","0.1616","0.1717","","","","","","1.086","","","","has coordinates","221350","2020-10-21","18:00:00",""
"4128222","9.5295","0.0019","12.293","0.003","13.196","0.003","103.64","0.03","98.59","0.03","105.65","0.03","1408.6","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H48 N4 O Zr -","- C25 H48 N4 O Zr -","- C50 H96 N8 O2 Zr2 -","2","1","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","0.71073","MoKα","","0.0397","0.0358","","","0.0969","0.0999","","","","","","1.067","","","","has coordinates,has disorder","221351","2020-10-21","18:00:00",""
"4128223","20.2677","0.0012","12.6644","0.0008","19.577","0.0012","90","","100.055","0.003","90","","4947.8","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H42 Al N O -","- C23.5 H42 Al N O -","- C188 H336 Al8 N8 O8 -","8","1","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0453","0.0443","","","0.1121","0.1128","","","","","","1.126","","","","has coordinates,has disorder","221352","2020-10-21","18:00:00",""
"4128224","22.969","0.002","18.6514","0.0016","13.3922","0.0012","90","","124.639","0.002","90","","4720.3","0.7","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H72 N4 O2 Zr -","- C42 H72 N4 O2 Zr -","- C168 H288 N16 O8 Zr4 -","4","0.5","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0244","0.0241","","","0.0614","0.0616","","","","","","1.052","","","","has coordinates","221353","2020-10-21","18:00:00",""
"4128225","34.428","0.004","7.6685","0.0008","20.142","0.002","90","","102.221","0.003","90","","5197.2","1","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H76 Cl2 N2 O2 Zr -","- C52 H74.91 Cl2 N2 O2 Zr -","- C208 H299.64 Cl8 N8 O8 Zr4 -","4","0.5","","Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.","Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.","Journal of the American Chemical Society","2019","141","19","7822","7830","10.1021/jacs.9b01445","","","1.54178","CuKα","","0.0342","0.0326","","","0.0811","0.0827","","","","","","1.071","","","","has coordinates,has disorder","221354","2020-10-21","18:00:00",""
"4128226","7.1091","0.0003","11.7371","0.0004","9.2881","0.0003","90","","110.232","0.001","90","","727.18","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0386","0.0349","","","0.086","0.0882","","","","","","1.097","","","","has coordinates","221355","2020-10-21","18:00:00",""
"4128227","9.1101","0.0014","18.432","0.003","18.462","0.003","90","","98.345","0.005","90","","3067.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0566","0.0392","","","0.0918","0.1005","","","","","","1.028","","","","has coordinates","221356","2020-10-21","18:00:00",""
"4128228","15.1133","0.0006","21.356","0.0008","12.8671","0.0009","90","","115.83","0.001","90","","3738.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F3 N2 O3 -","- C21 H21 F3 N2 O3 -","- C168 H168 F24 N16 O24 -","8","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0474","0.0382","","","0.0947","0.1012","","","","","","1.023","","","","has coordinates","221357","2020-10-21","18:00:00",""
"4128229","6.9349","0.0003","7.4039","0.0003","13.677","0.0005","90","","91.735","0.002","90","","701.93","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C36 H40 N4 O2 -","2","1","","Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.","Total Synthesis of (+)-Arborisidine.","Journal of the American Chemical Society","2019","141","19","7715","7720","10.1021/jacs.9b03248","","","0.71073","MoKα","","0.0348","0.031","","","0.0749","0.0774","","","","","","1.061","","","","has coordinates","221358","2020-10-21","18:00:00",""
"4128230","12.9009","0.001","12.9009","0.001","18.2641","0.001","90","","90","","120","","2632.5","0.3","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H12 Fe3 N3 O16 -","- C24 H12 Fe3 N3 O16 -","- C48 H24 Fe6 N6 O32 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0833","0.0626","","","0.2096","0.2274","","","","","","1.159","","","","has coordinates","221359","2020-10-21","18:00:00",""
"4128231","16.8853","0.0004","16.8853","0.0004","14.8612","0.0005","90","","90","","120","","3669.46","0.17","150","2","150.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H20 Fe3 N7 O13 -","- C44.0001 H20.0013 Fe3 N6.9999 O13 -","- C88.0002 H40.0026 Fe6 N13.9998 O26 -","2","0.0833333","","Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang","A Single-Crystal Open-Capsule Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7906","7916","10.1021/jacs.9b02417","","","0.71073","MoKα","","0.0465","0.0416","","","0.1281","0.1318","","","","","","1.066","","","","has coordinates,has disorder","221360","2020-10-21","18:00:00",""
"4128232","26.274","0.003","26.274","0.003","26.274","0.003","90","","90","","90","","18138","4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C144 H96 Cu24 O120 -","- C144 H96 Cu24 O120 -","- C288 H192 Cu48 O240 -","2","0.0104167","","Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon","Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7853","7864","10.1021/jacs.9b02114","","","0.61","synchrotron","","0.0399","0.0342","","","0.0977","0.1","","","","","","1.111","","","","has coordinates","221361","2020-10-21","18:00:00",""
"4128233","26.303","0.003","26.303","0.003","26.303","0.003","90","","90","","90","","18198","4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C209.6 H146.4 Cu28 N32.8 O96 -","- C209.6 H146.41 Cu28 N32.8 O96 -","- C419.2 H292.819 Cu56 N65.6 O192 -","2","0.0104167","","Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon","Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","19","7853","7864","10.1021/jacs.9b02114","","","0.61","synchrotron","","0.0721","0.0696","","","0.2386","0.2407","","","","","","1.188","","","","has coordinates","221362","2020-10-21","18:00:00",""
"4128234","25.075","0.0002","25.075","0.0002","57.2801","0.0007","90","","90","","120","","31190.1","0.5","123","2","123","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C87 H75 Mo9 N3 O31 P4 -","- C87 H75 Mo9 N3 O31 P4 -","- C1044 H900 Mo108 N36 O372 P48 -","12","0.333333","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0801","0.056","","","0.1641","0.1865","","","","","","1.075","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128235","18.4306","0.0002","21.7192","0.0002","26.7317","0.0003","90","","90","","90","","10700.6","0.19","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H15 Mo9 N6 O31 P -","- C63 H15 Mo9 N6 O31 P -","- C252 H60 Mo36 N24 O124 P4 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0603","0.0538","","","0.1612","0.1689","","","","","","1.068","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128236","34.5995","0.0003","21.4956","0.0002","27.1188","0.0002","90","","90","","90","","20169.3","0.3","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C94 H24 Mo18 N10 O62 P2 -","- C94 H24 Mo18 N10 O62 P2 -","- C376 H96 Mo72 N40 O248 P8 -","4","0.5","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1059","0.0816","","","0.2441","0.2702","","","","","","1.03","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128237","38.3334","0.0002","33.8624","0.0003","42.0755","0.0003","90","","101.282","0.001","90","","53561.2","0.7","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C320 H261 Cl0 Mo36 N21 O125 P13 -","- C320 H261 Mo36 N21 O125 P13 -","- C1280 H1044 Mo144 N84 O500 P52 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0782","0.0622","","","0.175","0.1951","","","","","","1.011","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128238","30.0613","0.0002","27.2811","0.0002","67.4589","0.0007","90","","98.1644","0.0003","90","","54762.7","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C280 H218 Mo36 N20 O126 P11 -","- C280 H218 Mo36 N20 O126 P11 -","- C1120 H872 Mo144 N80 O504 P44 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.1398","0.1012","","","0.27","0.3085","","","","","","1.036","","","","has coordinates,has disorder","221363","2020-10-21","18:00:00",""
"4128239","21.3407","0.0014","15.3842","0.0014","21.633","0.002","90","","113.749","0.006","90","","6500.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H43 F24 N15 Ni2 P4 -","- C60 H40 F24 N15 Ni2 P4 -","- C240 H160 F96 N60 Ni8 P16 -","4","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.1134","0.0693","","","0.1759","0.2008","","","","","","1.104","","","","has coordinates","221364","2020-10-21","18:00:00",""
"4128240","33.43","0.003","12.9935","0.0016","16.4397","0.0019","90","","114.415","0.005","90","","6502.4","1.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 F18 N12 Ni2 O2 P3 -","- C62 H54 F18 N12 Ni2 O2 P3 -","- C248 H216 F72 N48 Ni8 O8 P12 -","4","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.0929","0.0596","","","0.154","0.1759","","","","","","1.098","","","","has coordinates,has disorder","221365","2020-10-21","18:00:00",""
"4128241","8.9028","0.0006","20.1557","0.0012","15.2276","0.0011","90","","98.903","0.003","90","","2699.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 F12 N12 Ni2 O P2 -","- C54 H34 F12 N12 Ni2 P2 -","- C108 H68 F24 N24 Ni4 P4 -","2","0.5","","Ma, Xiaozhou; Suturina, Elizaveta A.; Rouzières, Mathieu; Platunov, Mikhail; Wilhelm, Fabrice; Rogalev, Andrei; Clérac, Rodolphe; Dechambenoit, Pierre","Using Redox-Active π Bridging Ligand as a Control Switch of Intramolecular Magnetic Interactions.","Journal of the American Chemical Society","2019","141","19","7721","7725","10.1021/jacs.9b03044","","","0.71073","MoKα","","0.0967","0.0653","","","0.1507","0.1629","","","","","","1.09","","","","has coordinates","221366","2020-10-21","18:00:00",""
"4128242","22.2715","0.0004","7.77098","0.0001","21.1732","0.0003","90","","108.487","","90","","3475.37","0.09","93","","93","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39 H16 B Cl F20 -","- C39 H16 B Cl F20 -","- C156 H64 B4 Cl4 F80 -","4","1","","Nakajima, Misuzu; Miyamoto, Kazunori; Hirano, Keiichi; Uchiyama, Masanobu","Diaryl-λ<sup>3</sup>-chloranes: Versatile Synthesis and Unique Reactivity as Aryl Cation Equivalent.","Journal of the American Chemical Society","2019","141","16","6499","6503","10.1021/jacs.9b02436","","","1.54187","CuKα","","","0.034","","","","0.0717","","","","","","1.161","","","","has coordinates","221367","2020-10-21","18:00:00",""
"4128243","13.5363","0.0009","15.7638","0.0013","17.5101","0.0013","75.265","0.007","78.398","0.006","86.169","0.006","3539.2","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C73 H12 -","- C73 H12 -","- C292 H48 -","4","2","","Tian, Han-Rui; Chen, Miao-Miao; Wang, Kai; Chen, Zuo-Chang; Fu, Chao-Yong; Zhang, Qianyan; Li, Shu-Hui; Deng, Shun-Liu; Yao, Yang-Rong; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","An Unconventional Hydrofullerene C<sub>66</sub>H<sub>4</sub> with Symmetric Heptagons Retrieved in Low-Pressure Combustion.","Journal of the American Chemical Society","2019","141","16","6651","6657","10.1021/jacs.9b01638","","x-ray","1.54184","CuKα","","0.1469","0.1094","","","0.3281","0.3511","","","","","","1.108","","","","has coordinates,has disorder","221368","2020-10-21","18:00:00",""
"4128244","10.5145","0.0002","12.1928","0.0003","29.5112","0.0007","90","","90","","90","","3783.37","0.15","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F3 N2 -","- C22 H19 F3 N2 -","- C176 H152 F24 N16 -","8","2","","Kwon, Yongseok; Li, Junqi; Reid, Jolene P.; Crawford, Jennifer M.; Jacob, Roxane; Sigman, Matthew S.; Toste, F. Dean; Miller, Scott J.","Disparate Catalytic Scaffolds for Atroposelective Cyclodehydration.","Journal of the American Chemical Society","2019","141","16","6698","6705","10.1021/jacs.9b01911","","","1.54184","CuKα","","0.037","0.0323","","","0.0769","0.0798","","","","","","1.052","","","","has coordinates","221369","2020-10-21","18:00:00",""
"4128245","11.3484","0.0006","13.5641","0.0006","16.0193","0.0016","93.97","0.005","107.494","0.007","110.87","0.005","2154.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Azo-TxSB 1","","- C50 H42 F24 N14 P4 -","- C50 H42 F24 N14 P4 -","- C50 H42 F24 N14 P4 -","1","0.5","","Chi, Xiaodong; Cen, Wanglai; Queenan, Jack A.; Long, Lingliang; Lynch, Vincent M.; Khashab, Niveen M.; Sessler, Jonathan L.","Azobenzene-Bridged Expanded ""Texas-sized"" Box: A Dual-Responsive Receptor for Aryl Dianion Encapsulation.","Journal of the American Chemical Society","2019","141","16","6468","6472","10.1021/jacs.9b01241","","","1.54184","CuKα","","0.0985","0.0766","","","0.2073","0.2265","","","","","","1.048","","","","has coordinates","221370","2020-10-21","18:00:00",""
"4128246","13.4584","0.0005","13.8392","0.0005","22.8632","0.0009","90","","97.809","0.002","90","","4218.9","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 F3 Fe N8 O4 S -","- C44 H51 F3 Fe N8 O4 S -","- C176 H204 F12 Fe4 N32 O16 S4 -","4","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.045","0.0355","","","0.0904","0.1009","","","","","","1.105","","","","has coordinates","221371","2020-10-21","18:00:00",""
"4128247","18.2527","0.0004","21.281","0.0004","24.4192","0.0005","90","","90","","90","","9485.3","0.3","100","2","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H50 F6 Fe N8 O6 S2 -","- C45 H50 F6 Fe N8 O6 S2 -","- C360 H400 F48 Fe8 N64 O48 S16 -","8","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0716","0.0568","","","0.1381","0.1497","","","","","","1.031","","","","has coordinates,has disorder","221372","2020-10-21","18:00:00",""
"4128248","12.6444","0.0005","15.572","0.0007","20.5734","0.0009","90","","97.7","0.001","90","","4014.3","0.3","100","2","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46.96 Cl0.04 F3 Fe N7 O3.96 S -","- C42 H46.961 Cl0.039 F3 Fe N7 O3.961 S -","- C168 H187.844 Cl0.156 F12 Fe4 N28 O15.844 S4 -","4","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.0443","0.0395","","","0.1004","0.1032","","","","","","1.053","","","","has coordinates,has disorder","221373","2020-10-21","18:00:00",""
"4128249","13.5964","0.0007","9.6432","0.0005","17.6757","0.0009","90","","90","","90","","2317.5","0.2","100","2","100","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C43 H48 F6 Fe N7 O7 S2 -","- C43 H48 F6 Fe N7 O7 S2 -","- C86 H96 F12 Fe2 N14 O14 S4 -","2","0.5","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0687","0.0682","","","0.165","0.1652","","","","","","1.117","","","","has coordinates,has disorder","287929","2023-12-01","12:09:56",""
"4128250","24.1058","0.0007","14.1272","0.0004","13.1675","0.0004","90","","107.411","0.001","90","","4278.7","0.2","100","2","99.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H49 Cl2 Fe N7 O -","- C42 H49 Cl2 Fe N7 O -","- C168 H196 Cl8 Fe4 N28 O4 -","4","0.5","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","","0.71073","MoKα","","0.0372","0.0344","","","0.0874","0.0893","","","","","","1.072","","","","has coordinates","221375","2020-10-21","18:00:00",""
"4128251","21.1703","0.0005","21.1703","0.0005","22.7806","0.0006","90","","90","","120","","8842","0.4","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C54 H58 F N O19 S -","- C54 H58 F N O19 S -","- C324 H348 F6 N6 O114 S6 -","6","1","","Lo, Hong-Jay; Krasnova, Larissa; Dey, Supriya; Cheng, Ting; Liu, Haitian; Tsai, Tsung-I; Wu, Kevin Binchia; Wu, Chung-Yi; Wong, Chi-Huey","Synthesis of Sialidase-Resistant Oligosaccharide and Antibody Glycoform Containing α2,6-Linked 3F<sup>ax</sup>-Neu5Ac.","Journal of the American Chemical Society","2019","141","16","6484","6488","10.1021/jacs.9b01991","","x-ray","1.54178","CuKα","","0.0386","0.0343","","","0.0933","0.097","","","","","","1.035","","","","has coordinates,has disorder","221376","2020-10-21","18:00:00",""
"4128252","14.276","0.0013","43.86","0.004","26.515","0.002","90","","101.185","0.003","90","","16287","2","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C144 H184 F12 N4 O16 P8 Pt4 S4 -","- C144 H184 F12 N4 O16 P8 Pt4 S4 -","- C576 H736 F48 N16 O64 P32 Pt16 S16 -","4","1","","Shi, Bingbing; Liu, Yuezhou; Zhu, Huangtianzhi; Vanderlinden, Ryan T.; Shangguan, Liqing; Ni, Ruidong; Acharyya, Koushik; Tang, Jian-Hong; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Spontaneous Formation of a Cross-Linked Supramolecular Polymer Both in the Solid State and in Solution, Driven by Platinum(II) Metallacycle-Based Host-Guest Interactions.","Journal of the American Chemical Society","2019","141","16","6494","6498","10.1021/jacs.9b02281","","","0.71073","MoKα","","0.1174","0.1001","","","0.2169","0.2254","","","","","","1.228","","","","has coordinates,has disorder","221377","2020-10-21","18:00:00",""
"4128253","8.8554","0.0003","8.816","0.0003","50.7233","0.0017","90","","92.385","0.002","90","","3956.5","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 F12 N7 O2 P2 Ru -","- C36 H37 F12 N7 O2 P2 Ru -","- C144 H148 F48 N28 O8 P8 Ru4 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0462","0.0365","","","0.079","0.0832","","","","","","1.048","","","","has coordinates","221378","2020-10-21","18:00:00",""
"4128254","13.637","0.0006","17.224","0.0007","16.2229","0.0007","90","","109.735","0.001","90","","3586.7","0.3","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 F12 N6 O2 P2 Ru -","- C32 H28 F12 N6 O2 P2 Ru -","- C128 H112 F48 N24 O8 P8 Ru4 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0528","0.0408","","","0.1025","0.1169","","","","","","1.13","","","","has coordinates,has disorder","221378","2020-10-21","18:00:00",""
"4128255","14.0654","0.0011","18.8075","0.0013","15.5986","0.0011","90","","114.047","0.004","90","","3768.3","0.5","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.08 H19 F6 N6 O10 Ru S2 -","- C36.0833 H19 F6 N6 O10 Ru S2 -","- C144.333 H76 F24 N24 O40 Ru4 S8 -","4","1","","Gonell, Sergio; Massey, Marsha D.; Moseley, Ian P.; Schauer, Cynthia K.; Muckerman, James T.; Miller, Alexander J. M.","The Trans Effect in Electrocatalytic CO<sub>2</sub> Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.","Journal of the American Chemical Society","2019","141","16","6658","6671","10.1021/jacs.9b01735","","","1.54178","CuKα","","0.0556","0.0465","","","0.1168","0.1231","","","","","","1.063","","","","has coordinates,has disorder","221378","2020-10-21","18:00:00",""
"4128256","13.8835","0.0002","13.7039","0.0003","11.1974","0.0002","90","","96.2374","0.0017","90","","2117.78","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","","Zhu, Yuxiang; Colomer, Ignacio; Thompson, Amber L.; Donohoe, Timothy J.","HFIP Solvent Enables Alcohols To Act as Alkylating Agents in Stereoselective Heterocyclization.","Journal of the American Chemical Society","2019","141","16","6489","6493","10.1021/jacs.9b02198","","","1.54184","CuKα","","0.05","0.0418","","0.1167","0.1079","0.1167","","","","","","0.9961","","","","has coordinates","221379","2020-10-21","18:00:00",""
"4128257","26.112","0.0003","7.1996","0.0001","29.268","0.0003","90","","94.2377","0.001","90","","5487.22","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 I O3 -","- C33 H29 I O3 -","- C264 H232 I8 O24 -","8","2","","Zhu, Yuxiang; Colomer, Ignacio; Thompson, Amber L.; Donohoe, Timothy J.","HFIP Solvent Enables Alcohols To Act as Alkylating Agents in Stereoselective Heterocyclization.","Journal of the American Chemical Society","2019","141","16","6489","6493","10.1021/jacs.9b02198","","","0.6889","Synchrotron","","0.1101","0.0818","","0.0916","0.0857","0.0847","","","","","","1.0369","","","","has coordinates","221379","2020-10-21","18:00:00",""
"4128258","7.1504","0.0006","13.4353","0.0011","27.972","0.002","80.848","0.004","87.913","0.004","83.603","0.004","2636","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","2","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","1.54178","CuKα","","0.1243","0.1186","","","0.3174","0.335","","","","","","1.474","","","","has coordinates","221380","2020-10-21","18:00:00",""
"4128259","7.7267","0.0001","29.1116","0.0005","10.7432","0.0002","90","","107.91","0.0008","90","","2299.44","0.07","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br F6 Mn N4 O3 P -","- C19 H17 Br F6 Mn N4 O3 P -","- C76 H68 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","1.54178","CuKα","","0.0274","0.0271","","","0.0709","0.0711","","","","","","1.058","","","","has coordinates,has disorder","221381","2020-10-21","18:00:00",""
"4128260","7.937","0.002","12.188","0.004","26.58","0.008","90","","90","","90","","2571.2","1.3","110","2","110","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","0.71073","MoKα","","0.0506","0.0377","","","0.0758","0.0804","","","","","","1.021","","","","has coordinates,has disorder","221382","2020-10-21","18:00:00",""
"4128261","20.7339","0.0008","22.5701","0.0009","22.5707","0.0008","61.056","0.002","68.264","0.002","88.742","0.003","8423.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C168 H204 N6 O18 -","- C168 H204 N6 O18 -","- C336 H408 N12 O36 -","2","1","","Nakamura, Takashi; Tsukuda, Shinnosuke; Nabeshima, Tatsuya","Double-Circularly Connected Saloph-Belt Macrocycles Generated from a Bis-Armed Bifunctional Monomer.","Journal of the American Chemical Society","2019","141","16","6462","6467","10.1021/jacs.9b00171","","","0.71073","MoKα","","0.2214","0.1384","","","0.3468","0.3769","","","","","","1.961","","","","has coordinates","221383","2020-10-21","18:00:00",""
"4128262","17.213","0.004","18.121","0.004","20.788","0.005","80.167","0.002","71.677","0.002","85.782","0.002","6064","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C294.62 H305.46 N8 Na0.38 O34.62 Zn4 -","- C294.616 H295.848 N8 Na0.384 O34.616 Zn4 -","- C294.616 H295.848 N8 Na0.384 O34.616 Zn4 -","1","0.5","","Nakamura, Takashi; Tsukuda, Shinnosuke; Nabeshima, Tatsuya","Double-Circularly Connected Saloph-Belt Macrocycles Generated from a Bis-Armed Bifunctional Monomer.","Journal of the American Chemical Society","2019","141","16","6462","6467","10.1021/jacs.9b00171","","","0.71073","MoKα","","0.176","0.0941","","","0.2463","0.2883","","","","","","1.668","","","","has coordinates,has disorder","221384","2020-10-21","18:00:00",""
"4128263","12.2686","0.0014","12.0157","0.0013","17.27","0.002","90","","95.498","0.003","90","","2534.2","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.0783","0.0459","","","0.1057","0.1188","","","","","","1.033","","","","has coordinates","221385","2020-10-21","18:00:00",""
"4128264","9.9961","0.001","11.5411","0.0011","22.484","0.002","90","","101.4","0.004","90","","2542.7","0.4","302","2","302.09","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.1173","0.0655","","","0.1411","0.1605","","","","","","1.037","","","","has coordinates","221386","2020-10-21","18:00:00",""
"4128265","12.3418","0.0009","9.6112","0.0007","19.6749","0.0015","90","","106.691","0.001","90","","2235.5","0.3","133","2","133","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 -","- C33 H22 -","- C132 H88 -","4","1","","Zhou, Zhibiao; Xie, Sheng; Chen, Xian; Tu, Yujie; Xiang, Jiannan; Wang, Jianguo; He, Zikai; Zeng, Zebing; Tang, Ben Zhong","Spiro-Functionalized Diphenylethenes: Suppression of a Reversible Photocyclization Contributes to the Aggregation-Induced Emission Effect.","Journal of the American Chemical Society","2019","141","25","9803","9807","10.1021/jacs.9b04426","","","0.71073","MoKα","","0.041","0.0331","","","0.0793","0.0855","","","","","","1.004","","","","has coordinates","221387","2020-10-21","18:00:00",""
"4128266","9.9196","0.0001","21.8678","0.0001","21.5084","0.0001","90","","100.817","0.001","90","","4582.7","0.06","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl4 N4 O2 Ru -","- C50 H52 Cl4 N4 O2 Ru -","- C200 H208 Cl16 N16 O8 Ru4 -","4","1","","Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim","Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","25","10039","10047","10.1021/jacs.9b04019","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0532","0.0533","","","","","","1.061","","","","has coordinates,has disorder","221388","2020-10-21","18:00:00",""
"4128267","13.7156","0.0002","15.0052","0.0002","17.1877","0.0002","85.65","0.001","78.025","0.001","63.955","0.001","3108.47","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H60 Br2 Cl2 N4 O4 Ru -","- C64 H60 Br2 Cl2 N4 O4 Ru -","- C128 H120 Br4 Cl4 N8 O8 Ru2 -","2","1","","Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim","Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.","Journal of the American Chemical Society","2019","141","25","10039","10047","10.1021/jacs.9b04019","","x-ray","1.54184","CuKα","","0.0439","0.0422","","","0.1155","0.1169","","","","","","1.065","","","","has coordinates","221389","2020-10-21","18:00:00",""
"4128268","20.364","0.0009","8.4235","0.0002","18.8888","0.0009","90","","123.796","0.007","90","","2692.6","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb -","- C20 H44 Br4 N2 Pb -","- C80 H176 Br16 N8 Pb4 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0229","0.0213","","","0.0501","0.0508","","","","","","1.079","","","","has coordinates","221390","2020-10-21","18:00:00",""
"4128269","20.0807","0.0007","8.4248","0.0001","18.3778","0.0005","90","","121.862","0.004","90","","2640.61","0.17","122","3","122","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-butyl-1-methylpiperidinium tetrabromogermanate(II)","","- C20 H44 Br4 Ge N2 -","- C20 H44 Br4 Ge N2 -","- C80 H176 Br16 Ge4 N8 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0471","0.0342","","","0.06","0.0638","","","","","","1.117","","","","has coordinates","221391","2020-10-21","18:00:00",""
"4128270","20.122","0.003","8.4218","0.0006","18.801","0.002","90","","123.374","0.017","90","","2660.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Sn -","- C20 H44 Br4 N2 Sn -","- C80 H176 Br16 N8 Sn4 -","4","0.5","","Morad, Viktoriia; Shynkarenko, Yevhen; Yakunin, Sergii; Brumberg, Alexandra; Schaller, Richard D.; Kovalenko, Maksym V.","Disphenoidal Zero-Dimensional Lead, Tin, and Germanium Halides: Highly Emissive Singlet and Triplet Self-Trapped Excitons and X-ray Scintillation.","Journal of the American Chemical Society","2019","141","25","9764","9768","10.1021/jacs.9b02365","","x-ray","0.71073","MoKα","","0.0396","0.0339","","","0.0739","0.0758","","","","","","1.132","","","","has coordinates","221392","2020-10-21","18:00:00",""
"4128271","9.7647","0.0018","10.1799","0.0019","18.091","0.003","90","","90","","90","","1798.3","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O S -","- C19 H28 O S -","- C76 H112 O4 S4 -","4","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.109","0.0916","","","0.2462","0.2727","","","","","","1.084","","","","has coordinates","221393","2020-10-21","18:00:00",""
"4128272","25.4036","0.0013","8.6525","0.0004","9.0953","0.0004","90","","90","","90","","1999.19","0.16","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0541","0.0437","","","0.1035","0.1098","","","","","","1.032","","","","has coordinates","221394","2020-10-21","18:00:00",""
"4128273","7.3457","0.0003","13.3767","0.0005","7.3693","0.0003","90","","108.584","0.002","90","","686.36","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","SI2340","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","","0.71073","MoKα","","0.0373","0.033","","","0.086","0.0893","","","","","","1.036","","","","has coordinates","221395","2020-10-21","18:00:00",""
"4128274","7.705","0.004","8.751","0.005","13.141","0.007","88.382","0.019","84.595","0.018","64.17","0.016","793.9","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","2","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0789","0.0599","","","0.1413","0.1545","","","","","","1.04","","","","has coordinates","221396","2020-10-21","18:00:00",""
"4128275","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates","221397","2020-10-21","18:00:00",""
"4128276","8.7849","0.0011","5.4108","0.0008","14.8752","0.0019","90","","98.627","0.007","90","","699.07","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F5 N O -","- C14 H16 F5 N O -","- C28 H32 F10 N2 O2 -","2","1","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0276","","","0.0694","0.0696","","","","","","1.046","","","","has coordinates","221398","2020-10-21","18:00:00",""
"4128277","8.3312","0.0011","17.574","0.002","8.379","0.0011","90","","116.975","0.005","90","","1093.3","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 F3 N -","- C12 H14 F3 N -","- C48 H56 F12 N4 -","4","2","","Zhang, Juner; Huang, Xiongyi; Zhang, Ruijie K.; Arnold, Frances H.","Enantiodivergent α-Amino C-H Fluoroalkylation Catalyzed by Engineered Cytochrome P450s.","Journal of the American Chemical Society","2019","141","25","9798","9802","10.1021/jacs.9b04344","","","1.54178","CuKα","","0.0279","0.0279","","","0.0705","0.0705","","","","","","1.045","","","","has coordinates","221399","2020-10-21","18:00:00",""
"4128278","12.94476","0.00013","20.0897","0.0002","26.0868","0.0003","91.2399","0.001","94.7326","0.0009","91.1183","0.0009","6757.78","0.12","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 K O16 Si4 Tb -","- C48 H108 K O16 Si4 Tb -","- C192 H432 K4 O64 Si16 Tb4 -","4","2","","Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella","Molecular Complex of Tb in the +4 Oxidation State.","Journal of the American Chemical Society","2019","141","25","9827","9831","10.1021/jacs.9b05337","","x-ray","1.54184","CuKα","","0.059","0.0538","","","0.1408","0.1463","","","","","","1.067","","","","has coordinates","221400","2020-10-21","18:00:00",""
"4128279","24.0696","0.0005","13.4628","0.0002","40.7459","0.0008","90","","96.4478","0.0017","90","","13120","0.4","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 O16 Si4 Tb -","- C48 H108 O16 Si4 Tb -","- C384 H864 O128 Si32 Tb8 -","8","1","","Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella","Molecular Complex of Tb in the +4 Oxidation State.","Journal of the American Chemical Society","2019","141","25","9827","9831","10.1021/jacs.9b05337","","x-ray","1.54184","CuKα","","0.0595","0.0518","","","0.1218","0.1266","","","","","","1.058","","","","has coordinates,has disorder","221401","2020-10-21","18:00:00",""
"4128280","17.9751","0.0003","15.1881","0.0003","9.872","0.0002","90","","97.535","0.001","90","","2671.86","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 -","- C32 H42 N2 -","- C128 H168 N8 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0473","0.043","","","0.1088","0.1112","","","","","","1.089","","","","has coordinates","221402","2020-10-21","18:00:00",""
"4128281","10.4959","0.0003","14.0915","0.0004","18.7602","0.0006","90","","102.806","0.001","90","","2705.67","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 N P -","- C32 H42 N P -","- C128 H168 N4 P4 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0405","0.0389","","","0.1007","0.1024","","","","","","1.054","","","","has coordinates","221403","2020-10-21","18:00:00",""
"4128282","9.595","0.005","18.456","0.009","13.848","0.006","90","","101.346","0.008","90","","2404","2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H43 N O2 -","- C28 H43 N O2 -","- C112 H172 N4 O8 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0903","0.0553","","","0.1172","0.1323","","","","","","1.049","","","","has coordinates","221404","2020-10-21","18:00:00",""
"4128283","9.3291","0.0003","18.9635","0.0005","23.1474","0.0006","90","","90","","90","","4095.1","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C51 H65 N3 -","- C51 H65 N3 -","- C204 H260 N12 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0649","0.0481","","","0.1146","0.1233","","","","","","1.014","","","","has coordinates","221405","2020-10-21","18:00:00",""
"4128284","9.6679","0.0004","18.7513","0.0007","13.8244","0.0005","90","","102.399","0.002","90","","2447.71","0.16","100.15","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H43 N S -","- C27 H43 N S -","- C108 H172 N4 S4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0371","0.035","","","0.0859","0.0871","","","","","","1.041","","","","has coordinates,has disorder","221406","2020-10-21","18:00:00",""
"4128285","18.3658","0.0004","18.8888","0.0004","19.5947","0.0005","90","","90","","90","","6797.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 N P -","- C39 H54 N P -","- C312 H432 N8 P8 -","8","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0546","0.0459","","","0.1133","0.1188","","","","","","0.998","","","","has coordinates","221407","2020-10-21","18:00:00",""
"4128286","9.4457","0.0008","9.7034","0.001","18.412","0.002","79.515","0.005","87.442","0.005","85.632","0.005","1653.7","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C73 H120 N4 -","- C73 H120 N4 -","- C73 H120 N4 -","1","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0638","0.0461","","","0.1038","0.114","","","","","","1.022","","","","has coordinates,has disorder","221408","2020-10-21","18:00:00",""
"4128287","10.6372","0.0007","16.6939","0.0012","16.7043","0.0013","90","","91.822","0.003","90","","2964.8","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H48 N2 O -","- C34 H48 N2 O -","- C136 H192 N8 O4 -","4","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","0.71073","MoKα","","0.0925","0.0605","","","0.1236","0.1369","","","","","","1.041","","","","has coordinates,has disorder","221409","2020-10-21","18:00:00",""
"4128288","12.887","0.014","6.012","0.006","18.99","0.02","90","","94.389","0.016","90","","1467","3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Asako, Sobi; Ishihara, Seina; Hirata, Keiya; Takai, Kazuhiko","Deoxygenative Insertion of Carbonyl Carbon into a C(sp<sup>3</sup>)-H Bond: Synthesis of Indolines and Indoles.","Journal of the American Chemical Society","2019","141","25","9832","9836","10.1021/jacs.9b05428","","","0.71075","MoKα","","0.1429","0.1274","","","0.1963","0.2026","","","","","","1.396","","","","has coordinates","221410","2020-10-21","18:00:00",""
"4128289","11.944","0.0001","13.0469","0.0002","21.0494","0.0002","72.339","0.001","80.743","0.001","74.699","0.001","3003.11","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H96 Br0.69 Cl0.31 Fe Mg O8 -","- C64 H96 Br0.691 Cl0.309 Fe Mg O8 -","- C128 H192 Br1.382 Cl0.618 Fe2 Mg2 O16 -","2","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.0635","0.0564","","","0.1597","0.1662","","","","","","1.079","","","","has coordinates,has disorder","221411","2020-10-21","18:00:00",""
"4128290","11.4045","0.0018","22.533","0.004","26.176","0.004","90","","99.122","0.003","90","","6641.6","1.9","100","0.5","100","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","neipn01","","","- C67 H112 Br0.67 Cl0.33 Fe Mg N3 O7.5 -","- C67 H112 Br0.6709 Cl0.3291 Fe Mg N3 O7.5 -","- C268 H448 Br2.6836 Cl1.3164 Fe4 Mg4 N12 O30 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","","0.71073","MoKα","","0.0884","0.0502","","","0.1084","0.1224","","","","","","1.021","","","","has coordinates,has disorder","221412","2020-10-21","18:00:00",""
"4128291","22.6754","0.0005","12.315","0.0007","24.0776","0.0007","90","","90","","90","","6723.6","0.5","99.99","0.1","99.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","neipn21","","","- C61 H92 Br0.6 Cl0.4 Fe Mg N5 O5 -","- C61 H92 Br0.598 Cl0.402 Fe Mg N5 O5 -","- C244 H368 Br2.392 Cl1.608 Fe4 Mg4 N20 O20 -","4","1","","Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.","Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.","Journal of the American Chemical Society","2019","141","25","10099","10108","10.1021/jacs.9b04869","","x-ray","1.54184","CuKα","","0.1008","0.0753","","","0.2054","0.2282","","","","","","1.052","","","","has coordinates,has disorder","221413","2020-10-21","18:00:00",""
"4128292","13.151","0.002","13.717","0.003","13.813","0.003","69.601","0.008","62.568","0.007","82.672","0.01","2071.3","0.7","221","2","221.64","","","","","","","","","3","P -1","-P 1","2","SI-4","","","- C41 H38 O9 -","- C41 H38 O9 -","- C82 H76 O18 -","2","1","","Timmerman, Jacob C.; Sims, Noah J.; Wood, John L.","Total Synthesis of Caesalpinnone A and Caesalpinflavan B: Evolution of a Concise Strategy.","Journal of the American Chemical Society","2019","141","25","10082","10090","10.1021/jacs.9b04472","","","0.71073","MoKα","","0.1848","0.1648","","","0.4607","0.4883","","","","","","2.0909","","","","has coordinates","221414","2020-10-21","18:00:00",""
"4128293","11.2663","0.0005","12.5159","0.0004","12.5665","0.0006","96.867","0.0012","105.428","0.0011","104.245","0.0015","1622.81","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H38 O7 -","- C41 H38 O7 -","- C82 H76 O14 -","2","1","","Timmerman, Jacob C.; Sims, Noah J.; Wood, John L.","Total Synthesis of Caesalpinnone A and Caesalpinflavan B: Evolution of a Concise Strategy.","Journal of the American Chemical Society","2019","141","25","10082","10090","10.1021/jacs.9b04472","","","0.71073","MoKα","","0.0478","0.0372","","","0.0862","0.0919","","","","","","1.023","","","","has coordinates","221415","2020-10-21","18:00:00",""
"4128294","7.0423","0.0004","10.4389","0.0006","12.1272","0.0007","76.1046","0.0019","88.391","0.002","77.957","0.002","846.15","0.08","109","2","109","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N4 O -","- C21 H18 N4 O -","- C42 H36 N8 O2 -","2","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.111","0.0588","","","0.1164","0.1429","","","","","","1.026","","","","has coordinates","221416","2020-10-21","18:00:00",""
"4128295","11.7863","0.0014","24.768","0.003","28.259","0.003","112.963","0.003","96.27","0.003","103.206","0.003","7211.6","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C336 H288 N96 -","16","8","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.3552","0.1506","","","0.3029","0.3853","","","","","","1.329","","","","has coordinates","221417","2020-10-21","18:00:00",""
"4128296","4.8537","0.0009","7.4768","0.0015","50.879","0.011","90","","90","","90","","1846.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.1775","0.0947","","","0.2033","0.2466","","","","","","1.061","","","","has coordinates","221418","2020-10-21","18:00:00",""
"4128297","4.766","0.002","9.398","0.005","12.71","0.006","104.348","0.008","97.123","0.008","91.867","0.008","546.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Kavita110216b","","","- C20 H16 F6 N2 O7 -","- C20 H16 F6 N2 O7 -","- C20 H16 F6 N2 O7 -","1","0.5","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.1144","0.0764","","","0.2042","0.2222","","","","","","1.136","","","","has coordinates,has disorder","221419","2020-10-21","18:00:00",""
"4128298","7.9032","0.0008","8.8144","0.001","14.88","0.0016","93.28","0.002","95.688","0.002","90.365","0.002","1029.7","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F6 N2 O3 -","- C24 H12 F6 N2 O3 -","- C48 H24 F12 N4 O6 -","2","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0631","0.0458","","","0.1186","0.1291","","","","","","1.04","","","","has coordinates","221420","2020-10-21","18:00:00",""
"4128299","16.3899","0.0014","8.4422","0.0008","21.6823","0.0019","90","","90","","90","","3000.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O3 -","- C16 H8 F6 N2 O3 -","- C128 H64 F48 N16 O24 -","8","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0469","0.0351","","","0.089","0.0961","","","","","","1.037","","","","has coordinates","221421","2020-10-21","18:00:00",""
"4128300","9.414","0.003","9.426","0.003","11.441","0.004","112.364","0.004","98.218","0.004","101.891","0.004","890.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Kavita062518","","","- C12 H17 Br F3 N O5 S2 -","- C12 H17 Br F3 N O5 S2 -","- C24 H34 Br2 F6 N2 O10 S4 -","2","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0278","0.0227","","","0.0519","0.0542","","","","","","1.063","","","","has coordinates,has disorder","221423","2020-10-21","18:00:00",""
"4128301","6.4041","0.0011","16.548","0.003","8.082","0.0014","90","","105.719","0.002","90","","824.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F3 N O3 -","- C8 H4 F3 N O3 -","- C32 H16 F12 N4 O12 -","4","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0472","0.0375","","","0.0967","0.1035","","","","","","1.03","","","","has coordinates","221424","2020-10-21","18:00:00",""
"4128302","13.2836","0.0019","9.513","0.0013","17.387","0.003","90","","90.057","0.004","90","","2197.1","0.6","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30.75 N2 O8.38 -","- C22 H30.75 N2 O8.375 -","- C88 H123 N8 O33.5 -","4","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","x-ray","1.54178","CuKα","","0.0272","0.0272","","","0.0724","0.0724","","","","","","1.044","","","","has coordinates","221425","2020-10-21","18:00:00",""
"4128303","9.883","0.0004","9.883","0.0004","36.809","0.002","90","","90","","120","","3113.6","0.2","123","","123","","","","","","","","Pierre Thesmar","4","P 32 2 1","P 32 2""","154","","","","- C22 H27 N2 O8.5 -","- C22 H27 N2 O8.5 -","- C132 H162 N12 O51 -","6","1","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0335","0.0327","","0.0854","0.0845","0.0842","","","","","","0.9809","","","","has coordinates","221426","2020-10-21","18:00:00",""
"4128304","9.48","0.0006","9.5062","0.0006","13.0768","0.0008","79.7133","0.0018","87.5882","0.0017","60.4663","0.0016","1007.41","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C44 H52 N4 O12 -","2","2","","Thesmar, Pierre; Baudoin, Olivier","Efficient and Divergent Total Synthesis of (-)-Epicoccin G and (-)-Rostratin A Enabled by Double C(sp<sup>3</sup>)-H Activation.","Journal of the American Chemical Society","2019","141","40","15779","15783","10.1021/jacs.9b09359","","","1.54178","CuKα","","0.0288","0.0288","","0.0318","0.0318","0.0317","","","","","","1.1119","","","","has coordinates","221427","2020-10-21","18:00:00",""
"4128305","7.8236","0.0002","14.7618","0.0004","24.4735","0.0007","90","","90","","90","","2826.45","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl4 N Ru -","- C30 H31 Cl4 N Ru -","- C120 H124 Cl16 N4 Ru4 -","4","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0374","0.0309","","","0.0607","0.0625","","","","","","1.019","","","","has coordinates","221428","2020-10-21","18:00:00",""
"4128306","5.5476","0.0003","8.4528","0.0005","21.0022","0.0013","90","","97.001","0.004","90","","977.51","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C46 H42 N2 O6 S2 -","2","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0689","0.0428","","","0.0802","0.0902","","","","","","1.025","","","","has coordinates","221429","2020-10-21","18:00:00",""
"4128307","14.6401","0.0003","17.2051","0.0004","17.93","0.0004","115.267","0.0013","96.9948","0.0016","103.786","0.0018","3836","0.17","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C79.5 H54 B Cl F24 O P2 Pd -","- C79.5 H54 B Cl F24 O P2 Pd -","- C159 H108 B2 Cl2 F48 O2 P4 Pd2 -","2","1","","Wierschen, Andreas L.; Romano, Neyen; Lee, Stephen J.; Gagné, Michel R","Silylpalladium Cations Enable the Oxidative Addition of C(sp<sup>3</sup>)-O Bonds.","Journal of the American Chemical Society","2019","141","40","16024","16032","10.1021/jacs.9b08178","","","1.5418","CuKα","","0.0751","0.0658","","0.1781","0.1709","0.1781","","","","","","1.0248","","","","has coordinates,has disorder","221430","2020-10-21","18:00:00",""
"4128308","7.0841","0.0001","7.0841","0.0001","41.0624","0.001","90","","90","","90","","2060.69","0.06","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C96 H100 N4 O28 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Jiao, Zhiwei","Enantioselective Divergent Syntheses of (+)-Bulleyanaline and Related Isoquinoline Alkaloids from the Genus <i>Corydalis</i>.","Journal of the American Chemical Society","2019","141","40","16085","16092","10.1021/jacs.9b08441","","","1.54178","CuKα","","0.0248","0.0247","","","0.0664","0.0666","","","","","","1.055","","","","has coordinates","221431","2020-10-21","18:00:00",""
"4128309","6.1967","0.0002","22.128","0.0008","14.697","0.0006","90","","94.665","0.002","90","","2008.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B N O2 -","- C23 H26 B N O2 -","- C92 H104 B4 N4 O8 -","4","1","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.045","0.0408","","","0.1022","0.1057","","","","","","1.033","","","","has coordinates","221432","2020-10-21","18:00:00",""
"4128310","11.9238","0.0005","13.673","0.0007","12.7983","0.0006","90","","112.838","0.003","90","","1922.99","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 B N2 O2 -","- C21 H25 B N2 O2 -","- C84 H100 B4 N8 O8 -","4","2","","Vidal, Fernando; Gomezcoello, John; Lalancette, Roger A.; Jäkle, Frieder","Lewis Pairs as Highly Tunable Dynamic Cross-Links in Transient Polymer Networks.","Journal of the American Chemical Society","2019","141","40","15963","15971","10.1021/jacs.9b07452","","","1.54178","CuKα","","0.0592","0.0443","","","0.0805","0.0845","","","","","","1.377","","","","has coordinates","221433","2020-10-21","18:00:00",""
"4128311","14.226","0.003","14.478","0.003","15.346","0.003","117.356","0.003","99.68","0.004","104.803","0.004","2559.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 Cl2 Co N4 O12 -","- C32 H23 Cl2 Co N4 O12 -","- C64 H46 Cl4 Co2 N8 O24 -","2","1","","Roy, Souvik; Huang, Zhehao; Bhunia, Asamanjoy; Castner, Ashleigh; Gupta, Arvind K.; Zou, Xiaodong; Ott, Sascha","Electrocatalytic Hydrogen Evolution from a Cobaloxime-Based Metal-Organic Framework Thin Film.","Journal of the American Chemical Society","2019","141","40","15942","15950","10.1021/jacs.9b07084","","","0.71073","MoKα","","0.1592","0.0816","","","0.2218","0.2502","","","","","","0.922","","","","has coordinates","221434","2020-10-21","18:00:00",""
"4128312","9.1839","0.0004","10.4178","0.0005","19.8431","0.0008","90","","99.184","0.001","90","","1874.17","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","2","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0721","0.0602","","","0.1442","0.1538","","","","","","1.055","","","","has coordinates","221435","2020-10-21","18:00:00",""
"4128313","9.1575","0.0004","9.248","0.0004","19.2789","0.0008","90","","90","","90","","1632.7","0.12","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0302","0.0298","","","0.0737","0.0741","","","","","","1.139","","","","has coordinates","221436","2020-10-21","18:00:00",""
"4128314","10.5315","0.0002","12.5444","0.0003","12.5572","0.0003","90","","89.99","","90","","1658.95","0.06","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","j095","","","- C12 H32 I8 N4 Pb2 -","- C12 H32 I8 N4 Pb2 -","- C24 H64 I16 N8 Pb4 -","2","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.0983","0.0956","","","0.2236","0.2254","","","","","","1.005","","","","has coordinates","221437","2020-10-21","18:00:00",""
"4128315","10.6173","0.0014","12.54","0.0018","12.53","0.002","90","","89.983","0.006","90","","1668.3","0.4","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DJ_373K","","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C24 H64 I16 N8 Pb4 -","4","1","","Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping","Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.","Journal of the American Chemical Society","2019","141","40","15972","15976","10.1021/jacs.9b07776","","","0.71073","MoKα","","0.1327","0.1234","","","0.3313","0.3423","","","","","","1.024","","","","has coordinates","221438","2020-10-21","18:00:00",""
"4128316","8.5379","0.0003","11.6565","0.0003","14.3665","0.0005","76.954","0.002","78.816","0.003","83.43","0.002","1362.69","0.08","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N2 O5 Zn -","- C30.191 H27.307 N1.937 O5 Zn -","- C60.382 H54.614 N3.874 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.072","0.0621","","","0.1621","0.1688","","","","","","1.044","","","","has coordinates,has disorder","221439","2020-10-21","18:00:00",""
"4128317","9.8343","0.0003","20.384","0.0006","19.3857","0.0006","90","","96.479","0.003","90","","3861.3","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N4 O7 Zn -","- C42 H46 N4 O7 Zn -","- C168 H184 N16 O28 Zn4 -","4","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0554","0.0421","","","0.1454","0.1538","","","","","","1.144","","","","has coordinates","221440","2020-10-21","18:00:00",""
"4128318","9.803","0.0006","9.8836","0.0006","11.8009","0.0008","88.301","0.005","86.59","0.005","80.201","0.005","1124.48","0.12","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.41 H19.41 N O4 Zn -","- C27 H19 N O4 Zn -","- C54 H38 N2 O8 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1089","0.0784","","","0.204","0.2269","","","","","","1.045","","","","has coordinates,has disorder","221441","2020-10-21","18:00:00",""
"4128319","15.0725","0.0004","15.7354","0.0005","20.5142","0.0006","78.984","0.002","88.169","0.002","80.392","0.002","4708.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O4 Zn -","- C27 H19 N O4 Zn -","- C216 H152 N8 O32 Zn8 -","8","4","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1317","0.1067","","","0.25","0.2606","","","","","","1.102","","","","has coordinates","221442","2020-10-21","18:00:00",""
"4128320","9.0865","0.0006","11.1662","0.0006","13.4069","0.0009","77.455","0.005","83.372","0.005","83.133","0.005","1312.66","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O5 Zn -","- C30 H26 N2 O5 Zn -","- C60 H52 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0952","0.068","","","0.1768","0.2093","","","","","","0.934","","","","has coordinates","221443","2020-10-21","18:00:00",""
"4128321","8.4884","0.0002","11.785","0.0003","14.7536","0.0003","76.227","0.002","76.572","0.002","83.831","0.002","1392.14","0.06","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N2 O5 Zn -","- C31 H28 N2 O5 Zn -","- C62 H56 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0505","0.0408","","","0.1085","0.1128","","","","","","1.068","","","","has coordinates,has disorder","221444","2020-10-21","18:00:00",""
"4128322","8.8203","0.0004","11.0081","0.0006","14.1769","0.0006","78.272","0.004","79.655","0.004","80.661","0.004","1314.51","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 O5 Zn -","- C29.985 H25.639 N2 O5 Zn -","- C59.97 H51.278 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0721","0.057","","","0.1272","0.1334","","","","","","1.043","","","","has coordinates,has disorder","221445","2020-10-21","18:00:00",""
"4128323","9.038","0.0004","12.0885","0.0005","14.9988","0.0007","67.39","0.004","72.49","0.004","89.005","0.004","1433.64","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O5 Zn -","- C32 H30 N2 O5 Zn -","- C64 H60 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.0983","0.0796","","","0.217","0.2317","","","","","","1.155","","","","has coordinates","221446","2020-10-21","18:00:00",""
"4128324","8.5536","0.0007","12.1855","0.0011","15.0843","0.0013","67.442","0.008","74.816","0.007","87.306","0.007","1398.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O5 Zn -","- C31.266 H29.88 N2 O5 Zn -","- C62.532 H59.76 N4 O10 Zn2 -","2","1","","Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","40","15742","15746","10.1021/jacs.9b07682","","","0.71075","MoKα","","0.1066","0.0856","","","0.2426","0.2587","","","","","","1.031","","","","has coordinates,has disorder","221447","2020-10-21","18:00:00",""
"4128325","9.5199","0.0002","35.864","0.0007","27.0516","0.0005","90","","90.65","0.002","90","","9235.4","0.3","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Br4 K2 Mn O12 -","- C40 H48 Br4 K2 Mn O12 -","- C320 H384 Br32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0715","0.0626","","","0.1756","0.18","","","","","","1.077","","","","has coordinates","221448","2020-10-21","18:00:00",""
"4128326","9.418","0.0001","35.5659","0.0003","26.6416","0.0002","90","","91.008","0.001","90","","8922.48","0.14","170","0.1","170","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H48 Cl4 K2 Mn O12 -","- C40 H48 Cl4 K2 Mn O12 -","- C320 H384 Cl32 K16 Mn8 O96 -","8","2","","Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan","Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.","Journal of the American Chemical Society","2019","141","40","15755","15760","10.1021/jacs.9b08780","","x-ray","1.54184","CuKα","","0.0338","0.0299","","","0.0735","0.0747","","","","","","1.005","","","","has coordinates","221449","2020-10-21","18:00:00",""
"4128327","17.464","0.003","20.626","0.004","35.907","0.007","90","","95.69","0.003","90","","12870","4","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C229 H96 Au24 Cl2 F108 P2 Pt -","- C229 H96 Au24 Cl2 F108 P2 Pt -","- C458 H192 Au48 Cl4 F216 P4 Pt2 -","2","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0699","0.0627","","","0.1612","0.1668","","","","","","1.122","","","","has coordinates,has disorder","221450","2020-10-21","18:00:00",""
"4128328","16.883","0.003","16.927","0.003","17.005","0.003","103.829","0.001","112.014","0.001","107.241","0.001","3952.2","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H198 Au24 Pt S18 Si18 -","- C72 H198 Au24 Pt S18 Si18 -","- C72 H198 Au24 Pt S18 Si18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.044","0.0355","","","0.0604","0.0638","","","","","","0.971","","","","has coordinates,has disorder","221451","2020-10-21","18:00:00",""
"4128329","19.5656","0.0003","26.9697","0.0003","29.4945","0.0004","92.24","0.001","108.448","0.001","96.785","0.001","14612","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C112.5 H199 Au23 Pd S17 -","- C112.5 H199 Au23 Pd S17 -","- C450 H796 Au92 Pd4 S68 -","4","2","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","1.54187","CuKα","","0.0805","0.0673","","","0.1751","0.186","","","","","","1.046","","","","has coordinates,has disorder","221452","2020-10-21","18:00:00",""
"4128330","19.3124","0.0009","19.3602","0.0007","21.1823","0.0011","64.389","0.004","80.212","0.004","62.406","0.004","6324.9","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C198 H270 Au24 Pt S18 -","- C198 H270 Au24 Pt S18 -","- C198 H270 Au24 Pt S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","1.54184","CuKα","","0.1054","0.0903","","","0.2697","0.2813","","","","","","1.119","","","","has coordinates,has disorder","221453","2020-10-21","18:00:00",""
"4128331","13.5826","0.0015","16.0653","0.0016","19.6261","0.0019","112.202","0.007","97.322","0.009","94.939","0.007","3890.5","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H162 Au24 Pd S18 -","- C144 H162 Au24 Pd S18 -","- C144 H162 Au24 Pd S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0395","0.0363","","","0.0671","0.0686","","","","","","1.149","","","","has coordinates","221454","2020-10-21","18:00:00",""
"4128332","17.477","0.004","20.733","0.004","35.724","0.007","90","","95.792","0.003","90","","12879","5","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C229 H96 Au24 Cl2 F108 P2 Pd -","- C229 H96 Au24 Cl2 F108 P2 Pd -","- C458 H192 Au48 Cl4 F216 P4 Pd2 -","2","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0725","0.0633","","","0.1563","0.1632","","","","","","1.124","","","","has coordinates,has disorder","221455","2020-10-21","18:00:00",""
"4128333","16.8731","0.0004","16.9117","0.0004","17.0006","0.0004","103.768","0.002","112.008","0.002","107.269","0.002","3946.7","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H198 Au24 Pd S18 Si18 -","- C72 H198 Au24 Pd S18 Si18 -","- C72 H198 Au24 Pd S18 Si18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0403","0.0354","","","0.1046","0.1067","","","","","","1.048","","","","has coordinates,has disorder","221456","2020-10-21","18:00:00",""
"4128334","16.139","0.006","16.956","0.006","17.758","0.007","111.431","0.003","116.42","0.002","94.089","0.002","3888","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H206 Au24 Pt S18 -","- C115 H206 Au24 Pt S18 -","- C115 H206 Au24 Pt S18 -","1","0.5","","Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya","Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.","Journal of the American Chemical Society","2019","141","40","15994","16002","10.1021/jacs.9b08055","","","0.71075","MoKα","","0.0646","0.0518","","","0.1107","0.1187","","","","","","1.004","","","","has coordinates,has disorder","221457","2020-10-21","18:00:00",""
"4128335","9.1921","0.0005","13.8664","0.0007","15.1426","0.0007","83.111","0.002","82.152","0.002","77.693","0.002","1859.83","0.16","173","2","173.01","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 Ag2 F6 Ir2 N16 O6 S2 -","- C54 H52 Ag2 F6 Ir2 N10 O6 S2 -","- C54 H52 Ag2 F6 Ir2 N10 O6 S2 -","1","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.0469","0.0408","","","0.1104","0.1143","","","","","","1.051","","","","has coordinates","221458","2020-10-21","18:00:00",""
"4128336","49.616","0.002","15.5826","0.0007","37.8111","0.0016","90","","106.495","0.002","90","","28030","2","173","2","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C130 H141 F12 Ir4 N16 O16.5 S4 -","- C125 H125.5 F12 Ir4 N13.5 O12.5 S4 -","- C1000 H1004 F96 Ir32 N108 O100 S32 -","8","2","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.046","0.0449","","","0.119","0.1199","","","","","","1.015","","","","has coordinates,has disorder","221459","2020-10-21","18:00:00",""
"4128337","9.0059","0.0005","23.0531","0.0013","11.8913","0.0007","90","","91.56","0.002","90","","2467.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F6 Ir2 N8 O6 S2 -","- C44 H50 F6 Ir2 N8 O6 S2 -","- C88 H100 F12 Ir4 N16 O12 S4 -","2","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34138","GaKα","","0.0726","0.0705","","","0.1845","0.1878","","","","","","1.109","","","","has coordinates","221460","2020-10-21","18:00:00",""
"4128338","28.2902","0.0019","21.3553","0.0016","36.871","0.003","90","","101.089","0.003","90","","21860","3","173","2","172.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H228 Ag2 F18 Ir6 N24 O26 S6 -","- C191.5 H182 Ag2 F10.5 Ir6 N22 O10.5 S3.5 -","- C766 H728 Ag8 F42 Ir24 N88 O42 S14 -","4","1","","Zhang, Hai-Ning; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Reversible Structural Transformation between a Molecular Solomon Link and an Unusual Unsymmetrical Trefoil Knot.","Journal of the American Chemical Society","2019","141","40","16057","16063","10.1021/jacs.9b08254","","","1.34139","GaKα","","0.0778","0.0589","","","0.1645","0.1794","","","","","","1.061","","","","has coordinates,has disorder","221461","2020-10-21","18:00:00",""
"4128339","7.9241","0.0007","9.4871","0.0009","16.0357","0.0014","90","","90","","90","","1205.51","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl2 N O3 -","- C11 H11 Cl2 N O3 -","- C44 H44 Cl8 N4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0219","0.0218","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","221462","2020-10-21","18:00:00",""
"4128340","5.7046","0.0003","7.4441","0.0004","35.724","0.002","90","","90","","90","","1517.04","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0445","0.0444","","","0.1143","0.1144","","","","","","1.3","","","","has coordinates","221463","2020-10-21","18:00:00",""
"4128341","5.3574","0.0002","9.2902","0.0004","28.0903","0.001","90","","90","","90","","1398.09","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F4 N3 O -","- C14 H13 F4 N3 O -","- C56 H52 F16 N12 O4 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0285","0.0278","","","0.075","0.0755","","","","","","1.053","","","","has coordinates","221464","2020-10-21","18:00:00",""
"4128342","8.0561","0.0006","6.0406","0.0004","14.5291","0.001","90","","98.325","0.002","90","","699.59","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl3 O2 -","- C15 H13 Cl3 O2 -","- C30 H26 Cl6 O4 -","2","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0674","0.0673","","","0.1728","0.1729","","","","","","1.109","","","","has coordinates","221465","2020-10-21","18:00:00",""
"4128343","13.0565","0.0004","15.3284","0.0005","30.5271","0.001","92.426","0.002","90.698","0.001","106.598","0.001","5847.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H123 F12 N4 O6 P6 Pt2 -","- C92 H123 F12 N4 O6 P6 Pt2 -","- C184 H246 F24 N8 O12 P12 Pt4 -","2","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","","1.54178","CuKα","","0.0824","0.0644","","","0.1759","0.1921","","","","","","1.056","","","","has coordinates","221466","2020-10-21","18:00:00",""
"4128344","26.1116","0.0003","12.5972","0.0002","14.3418","0.0002","90","","90","","90","","4717.49","0.11","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H34 Cl3 P2 Pt -","- C19 H34 Cl3 P2 Pt -","- C152 H272 Cl24 P16 Pt8 -","8","1","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","x-ray","1.54184","CuKα","","0.0612","0.0507","","","0.1271","0.134","","","","","","1.043","","","","has coordinates","221467","2020-10-21","18:00:00",""
"4128345","10.6217","0.0008","19.9663","0.0016","24.0398","0.0018","96.588","0.003","100.265","0.003","96.237","0.003","4939.9","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H48 F6 N2 O P3 Pt -","- C39 H48 F6 N2 O P3 Pt -","- C156 H192 F24 N8 O4 P12 Pt4 -","4","2","","Huo, Gui-Fei; Shi, Xueliang; Tu, Qian; Hu, Yi-Xiong; Wu, Gui-Yuan; Yin, Guang-Qiang; Li, Xiaopeng; Xu, Lin; Ding, Hong-Ming; Yang, Hai-Bo","Radical-Induced Hierarchical Self-Assembly Involving Supramolecular Coordination Complexes in Both Solution and Solid States.","Journal of the American Chemical Society","2019","141","40","16014","16023","10.1021/jacs.9b08149","","","1.54178","CuKα","","0.0696","0.0616","","","0.1752","0.1863","","","","","","1.076","","","","has coordinates","221468","2020-10-21","18:00:00",""
"4128346","16.2584","0.0002","17.3297","0.0003","25.0056","0.0004","107.614","0.001","91.395","0.001","117.174","0.001","5863.12","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Hg S18 -","- C72 H162 Au24.0004 Hg0.9996 S18 -","- C144 H324 Au48.0008 Hg1.9992 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0437","0.0396","","","0.104","0.1075","","","","","","1.04","","","","has coordinates,has disorder","221469","2020-10-21","18:00:00",""
"4128347","16.2535","0.0002","17.3097","0.0002","25.0233","0.0003","107.579","0.001","91.4","0.001","117.251","0.001","5855.46","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Cd S18 -","- C72 H162 Au24.0004 Cd0.9996 S18 -","- C144 H324 Au48.0008 Cd1.9992 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.052","0.0481","","","0.1275","0.1322","","","","","","1.039","","","","has coordinates,has disorder","221470","2020-10-21","18:00:00",""
"4128348","31.3135","0.0005","27.0073","0.0003","18.5226","0.0002","90","","90","","90","","15664.4","0.3","120","0.1","120","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24.0004 Cd0.9996 S18 -","- C576 H648 Au96.0016 Cd3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0652","0.0559","","","0.1453","0.152","","","","","","1.059","","","","has coordinates,has disorder","221471","2020-10-21","18:00:00",""
"4128349","31.2563","0.0011","26.9439","0.0005","18.457","0.0005","90","","90","","90","","15543.9","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.1395","0.0824","","","0.1301","0.1504","","","","","","1.136","","","","has coordinates,has disorder","221472","2020-10-21","18:00:00",""
"4128350","31.2914","0.0004","27.0095","0.0003","18.5163","0.0002","90","","90","","90","","15649.3","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","0.71073","MoKα","","0.0497","0.0407","","","0.0797","0.0826","","","","","","1.235","","","","has coordinates,has disorder","221473","2020-10-21","18:00:00",""
"4128351","16.2635","0.0002","17.3283","0.0002","25.0097","0.0003","107.58","0.001","91.337","0.001","117.222","0.001","5865.4","0.14","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H162 Au24 Cd S18 -","- C72 H162 Au24.0002 Cd0.9998 S18 -","- C144 H324 Au48.0004 Cd1.9996 S36 -","2","1","","Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio","Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.","Journal of the American Chemical Society","2019","141","40","16033","16045","10.1021/jacs.9b08228","","x-ray","1.54184","CuKα","","0.0432","0.0399","","","0.1043","0.1075","","","","","","1.026","","","","has coordinates,has disorder","221474","2020-10-21","18:00:00",""
"4128352","13.615","0.002","5.6025","0.0007","20.277","0.003","90","","104.195","0.005","90","","1499.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Gao, Qianwen; Shang, Yong; Song, Fuzhen; Ye, Jinxiang; Liu, Ze-Shui; Li, Lisha; Cheng, Hong-Gang; Zhou, Qianghui","Modular Dual-Tasked C-H Methylation via the Catellani Strategy.","Journal of the American Chemical Society","2019","141","40","15986","15993","10.1021/jacs.9b07857","","","0.71073","MoKα","","0.0525","0.0386","","","0.1053","0.1223","","","","","","1.113","","","","has coordinates","221475","2020-10-21","18:00:00",""
"4128353","16.7047","0.0006","14.256","0.0006","17.8359","0.0006","90","","122.014","0.003","90","","3601.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F N3 -","- C23 H18 F N3 -","- C184 H144 F8 N24 -","8","2","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.0603","0.0491","","","0.1114","0.1173","","","","","","1.076","","","","has coordinates,has disorder","221476","2020-10-21","18:00:00",""
"4128354","8.0215","0.0003","10.3318","0.0004","12.9525","0.0005","73.191","0.001","89.769","0.001","75.301","0.001","991.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 F N4 O2 -","- C22 H25 F N4 O2 -","- C44 H50 F2 N8 O4 -","2","1","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.1409","0.0962","","","0.1272","0.145","","","","","","1.245","","","","has coordinates","221477","2020-10-21","18:00:00",""
"4128355","10.1762","0.0001","13.3486","0.0002","14.3784","0.0002","65.334","0.001","71.413","0.001","77.355","0.001","1673.96","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C78 H60 F6 N18 -","6","3","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","1.54178","CuKα","","0.0452","0.0374","","","0.098","0.1049","","","","","","1.019","","","","has coordinates","221478","2020-10-21","18:00:00",""
"4128356","12.2141","0.0006","11.1208","0.0006","9.4452","0.0003","90","","105.823","0.003","90","","1234.33","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 -","- C14 H11 F N4 -","- C56 H44 F4 N16 -","4","1","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","0.71073","MoKα","","0.1213","0.1006","","","0.2062","0.2221","","","","","","1.448","","","","has coordinates","221479","2020-10-21","18:00:00",""
"4128357","9.757","0.0002","11.3567","0.0002","13.6657","0.0002","82.028","0.001","80.377","0.001","72.198","0.001","1415.27","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C68 H56 F4 N12 -","4","2","","Le Fouler, Vincent; Chen, Yu; Gandon, Vincent; Bizet, Vincent; Salomé, Christophe; Fessard, Thomas; Liu, Fang; Houk, K. N.; Blanchard, Nicolas","Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.","Journal of the American Chemical Society","2019","141","40","15901","15909","10.1021/jacs.9b07037","","","1.54178","CuKα","","0.0448","0.038","","","0.0925","0.0973","","","","","","1.041","","","","has coordinates,has disorder","221480","2020-10-21","18:00:00",""
"4128358","13.429","0.003","6.695","0.002","7.259","0.002","90","0.03","90","0.03","90","0.03","652.6","0.3","88","2","88","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H N3 O3 Rb2 -","- C3 H N3 O3 Rb2 -","- C12 H4 N12 O12 Rb8 -","4","0.25","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0683","0.062","","","0.1721","0.1781","","","","","","1.21","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4128359","3.4142","0.0018","16.974","0.011","11.176","0.008","90","","90.92","0.02","90","","647.6","0.7","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Li2 N3 O5 -","- C3 H5 Li2 N3 O5 -","- C12 H20 Li8 N12 O20 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0587","0.0403","","","0.0807","0.0865","","","","","","1.028","","","","has coordinates","221482","2020-10-21","18:00:00",""
"4128360","15.689","0.003","3.7585","0.0008","12.759","0.002","90","","90","","90","","752.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C3 H4 Cs0 Li N3 O5 Rb -","- C3 H4 Li N3 O5 Rb -","- C12 H16 Li4 N12 O20 Rb4 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0619","0.0459","","","0.1029","0.1095","","","","","","1.082","","","","has coordinates","221483","2020-10-21","18:00:00",""
"4128361","31.791","0.005","31.791","0.005","45.798","0.009","90","","90","","120","","40085","12","173","2","173","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C194 H148 N10 O20 -","- C194 H148 N10 O20 -","- C1164 H888 N60 O120 -","6","1","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.71073","MoKα","","0.3206","0.2756","","","0.5701","0.6104","","","","","","1.519","","","","has coordinates","221484","2020-10-21","18:00:00",""
"4128362","21.504","0.004","22.883","0.005","44.815","0.009","96.64","0.004","100.37","0.006","109.8","0.009","20035","7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C191 H142 N10 O20 -","- C191 H142 N10 O20 -","- C764 H568 N40 O80 -","4","2","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.88557","synchrotron","","0.3473","0.2807","","","0.571","0.6103","","","","","","1.973","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4128363","27.2333","0.0015","27.3279","0.0015","32.2689","0.0018","101.089","0.001","91.74","0.001","107.559","0.001","22369","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C273.27 H366.41 N89.81 O140.75 Pd12 -","- C273.268 H366.408 N89.809 O140.745 Pd11.999 -","- C546.536 H732.816 N179.618 O281.49 Pd23.998 -","2","1","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.1884","0.0936","","","0.2613","0.3328","","","","","","1.019","","","","has coordinates,has disorder","221486","2020-10-21","18:00:00",""
"4128364","27.413","0.004","27.587","0.004","32.476","0.005","100.778","0.002","91.868","0.002","107.512","0.002","22905","6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C249.04 H325.16 N83.49 O104.67 Pd12 -","- C249.043 H325.158 N83.49 O104.666 Pd12 -","- C498.086 H650.316 N166.98 O209.332 Pd24 -","2","1","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.121","0.0865","","","0.272","0.2977","","","","","","1.042","","","","has coordinates,has disorder","221487","2020-10-21","18:00:00",""
"4128365","27.2824","0.0007","27.3856","0.0007","32.624","0.0008","100.843","0.001","92.109","0.001","107.136","0.001","22766.2","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H166.74 N41.46 O53.42 Pd6 -","- C126.997 H166.734 N41.4555 O53.418 Pd6 -","- C507.988 H666.938 N165.822 O213.672 Pd24 -","4","2","","Takezawa, Hiroki; Kanda, Tomoya; Nanjo, Hikaru; Fujita, Makoto","Site-Selective Functionalization of Linear Diterpenoids through U-Shaped Folding in a Confined Artificial Cavity.","Journal of the American Chemical Society","2019","141","13","5112","5115","10.1021/jacs.9b00131","","","0.71073","MoKα","","0.1447","0.0968","","","0.2928","0.3225","","","","","","1.106","","","","has coordinates,has disorder","221488","2020-10-21","18:00:00",""
"4128366","18.5092","0.0002","18.5092","0.0002","12.7134","0.0001","90","","90","","120","","3771.96","0.06","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H26 B Br2 N O2 -","- C21 H26 B Br2 N O2 -","- C126 H156 B6 Br12 N6 O12 -","6","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0509","0.0488","","","0.1487","0.1518","","","","","","1.1","","","","has coordinates","221489","2020-10-21","18:00:00",""
"4128367","12.233","0.0001","18.2364","0.0001","19.0123","0.0001","90","","90","","90","","4241.38","0.05","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H45 B Cl Ir N2 O Si -","- C38 H45 B Cl Ir N2 O Si -","- C152 H180 B4 Cl4 Ir4 N8 O4 Si4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0449","0.0444","","","0.1111","0.1115","","","","","","1.004","","","","has coordinates","221490","2020-10-21","18:00:00",""
"4128368","7.4113","0.0002","9.563","0.0002","18.357","0.0005","90","","90","","90","","1301.04","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0383","0.0337","","","0.0867","0.0894","","","","","","1.001","","","","has coordinates","221491","2020-10-21","18:00:00",""
"4128369","7.76362","0.00014","21.0599","0.0004","9.84571","0.00014","90","","96.0573","0.0015","90","","1600.8","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0432","0.0419","","","0.1128","0.1158","","","","","","1.088","","","","has coordinates","221492","2020-10-21","18:00:00",""
"4128370","17.9455","0.0006","4.9568","0.0001","19.3568","0.0007","90","","112.704","0.004","90","","1588.41","0.1","100.01","0.12","100.01","0.12","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0556","0.0541","","","0.1409","0.1428","","","","","","1.082","","","","has coordinates","221493","2020-10-21","18:00:00",""
"4128371","9.2478","0.0001","9.9984","0.0001","17.5641","0.0001","90","","90","","90","","1624.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.0744","0.075","","","","","","1.05","","","","has coordinates","221494","2020-10-21","18:00:00",""
"4128372","13.8662","0.0003","17.1025","0.0003","19.5603","0.0004","90","","90","","90","","4638.66","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LCuOArH","LCuOArH","","- C45 H62 Cu N4 O3 -","- C45 H62 Cu N4 O3 -","- C180 H248 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0259","0.0258","","","0.0685","0.0687","","","","","","1.204","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128373","14.1362","0.0004","18.2096","0.0006","19.4267","0.0006","90","","103.126","0.001","90","","4870.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOArOMe","LCuOArOMe","","- C50 H74 Cu N4 O5 -","- C50 H74 Cu N4 O5 -","- C200 H296 Cu4 N16 O20 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0659","0.0621","","","0.1798","0.1846","","","","","","1.017","","","","has coordinates,has disorder","221495","2020-10-21","18:00:00",""
"4128374","12.804","0.0019","19.802","0.003","24.105","0.004","90","","92.625","0.004","90","","6105.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LCuOArNMe2","LCuOArNMe2","","- C39 H47 Cu N4 O3 -","- C39 H47 Cu N4 O3 -","- C156 H188 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","0.71073","MoKα","","0.1694","0.1568","","","0.468","0.4809","","","","","","2.206","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128375","18.1486","0.0005","20.9685","0.0006","18.7151","0.0005","90","","109.125","0.001","90","","6728.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H110 B6 N2 O2 P2 Si4 -","- C55 H110 B6 N2 O2 P2 Si4 -","- C220 H440 B24 N8 O8 P8 Si16 -","4","1","","Lu, Wei; Li, Yongxin; Kinjo, Rei","Crystalline Tetraatomic Boron(0) Species.","Journal of the American Chemical Society","2019","141","13","5164","5168","10.1021/jacs.9b02173","","","1.54178","CuKα","","0.0512","0.0466","","","0.1176","0.1218","","","","","","1.04","","","","has coordinates,has disorder","221496","2020-10-21","18:00:00",""
"4128376","15.1739","0.0003","15.9697","0.0002","24.5541","0.0004","77.863","0.001","86.54","0.002","69.678","0.002","5454.42","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H170 N6 O3 Re3 U -","- C116 H170 N6 O3 Re3 U -","- C232 H340 N12 O6 Re6 U2 -","2","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.71073","MoKα","","0.0401","0.029","","","0.0623","0.0654","","","","","","1.034","","","","has coordinates,has disorder","221497","2020-10-21","18:00:00",""
"4128377","13.1634","0.0004","16.7458","0.0005","25.515","0.0008","98.327","0.002","90.663","0.002","109.671","0.001","5229.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1THF","","","- C112 H160 N6 O Re3 U -","- C112 H160 N6 O Re3 U -","- C224 H320 N12 O2 Re6 U2 -","2","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.71073","MoKα","","0.0513","0.0345","","","0.0833","0.093","","","","","","1.05","","","","has coordinates,has disorder","221498","2020-10-21","18:00:00",""
"4128378","16.8272","0.0008","19.4767","0.0009","30.7821","0.0015","90","","98.321","0.002","90","","9982.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C109 H148 N8 Re3 U -","- C109 H148 N8 Re3 U -","- C436 H592 N32 Re12 U4 -","4","1","","Boreen, Michael A.; Lohrey, Trevor D.; Rao, Guodong; Britt, R. David; Maron, Laurent; Arnold, John","A Uranium Tri-Rhenium Triple Inverse Sandwich Compound.","Journal of the American Chemical Society","2019","141","13","5144","5148","10.1021/jacs.9b01331","","","0.7288","synchrotron","","0.032","0.0289","","","0.0726","0.0743","","","","","","1.026","","","","has coordinates,has disorder","221499","2020-10-21","18:00:00",""
"4128379","45.7488","0.0013","31.7238","0.0013","31.6653","0.0008","90","","122.171","0.004","90","","38901","3","150","0.1","150","0.1","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C258 H90 -","- C258 H90 -","- C1032 H360 -","4","1","","Zhu, Yanpeng; Guo, Xiaoyu; Li, Yang; Wang, Jiaobing","Fusing of Seven HBCs toward a Green Nanographene Propeller.","Journal of the American Chemical Society","2019","141","13","5511","5517","10.1021/jacs.9b01266","","x-ray","1.54178","CuKα","","0.1222","0.0931","","","0.208","0.2254","","","","","","0.899","","","","has coordinates","221500","2020-10-21","18:00:00",""
"4128380","12.5003","0.0011","8.0481","0.0007","16.3678","0.0017","90","","102.908","0.006","90","","1605","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O4 S2 -","- C17 H16 O4 S2 -","- C68 H64 O16 S8 -","4","0.5","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.0715","0.0506","","","0.1218","0.1335","","","","","","1.076","","","","has coordinates","221501","2020-10-21","18:00:00",""
"4128381","11.4319","0.0004","15.7328","0.0006","18.3308","0.0007","90","","90","","90","","3296.9","0.2","301","2","301","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C51 H28 Br2 N2 O9 Zn2 -","- C50 H28 Br2 N2 O8 Zn2 -","- C50 H28 Br2 N2 O8 Zn2 -","1","0.125","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.0548","0.0495","","","0.1469","0.1543","","","","","","1.124","","","","has coordinates,has disorder","221502","2020-10-21","18:00:00",""
"4128382","26.4692","0.0019","17.4806","0.0013","29.688","0.002","90","","103.562","0.002","90","","13353.5","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 N2 O8 S2 Zn2 -","- C57 H42 N2 O8 S2 Zn2 -","- C456 H336 N16 O64 S16 Zn16 -","8","2","","Dolgopolova, Ekaterina A.; Galitskiy, Vladimir A.; Martin, Corey R.; Gregory, Haley N.; Yarbrough, Brandon J.; Rice, Allison M.; Berseneva, Anna A.; Ejegbavwo, Otega A.; Stephenson, Kenneth S.; Kittikhunnatham, Preecha; Karakalos, Stavros G.; Smith, Mark D.; Greytak, Andrew B.; Garashchuk, Sophya; Shustova, Natalia B.","Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","13","5350","5358","10.1021/jacs.8b13853","","x-ray","0.71073","MoKα","","0.1305","0.0866","","","0.2067","0.2308","","","","","","1.027","","","","has coordinates,has disorder","221503","2020-10-21","18:00:00",""
"4128383","5.4657","0.0002","13.2961","0.0005","25.2012","0.0011","90","","90","","90","","1831.43","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N3 O -","- C21 H20 Br N3 O -","- C84 H80 Br4 N12 O4 -","4","1","","Liu, En-Chih; Topczewski, Joseph J.","Enantioselective Copper Catalyzed Alkyne-Azide Cycloaddition by Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2019","141","13","5135","5138","10.1021/jacs.9b01091","","","0.71073","MoKα","","0.0342","0.0286","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","221504","2020-10-21","18:00:00",""
"4128384","18.6122","0.0004","22.6992","0.0004","27.114","0.0005","90","","90","","90","","11455.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O7 S Si -","- C25 H38 O7 S Si -","- C400 H608 O112 S16 Si16 -","16","4","","Dimakos, Victoria; Su, Hsin Y.; Garrett, Graham E.; Taylor, Mark S.","Site-Selective and Stereoselective C-H Alkylations of Carbohydrates via Combined Diarylborinic Acid and Photoredox Catalysis.","Journal of the American Chemical Society","2019","141","13","5149","5153","10.1021/jacs.9b01531","","","1.54178","CuKα","","0.0779","0.0674","","","0.1855","0.199","","","","","","1.007","","","","has coordinates,has disorder","221505","2020-10-21","18:00:00",""
"4128385","41.3091","0.0013","8.9764","0.0003","8.8719","0.0003","90","","95.0826","0.0018","90","","3276.83","0.19","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C11 H34 I7 N3 Pb2 -","- C11 H34 I7 N3 Pb2 -","- C44 H136 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0588","0.0421","","","0.1111","0.1194","","","","1.54","1.54","1.42","","","","has coordinates","221506","2020-10-21","18:00:00",""
"4128386","39.454","0.0007","8.9418","0.0006","8.893","0.003","90","","93.698","0.004","90","","3130.8","1.1","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C14 H52 I16 N6 Pb5 -","- C14 H52 I16 N6 Pb5 -","- C28 H104 I32 N12 Pb10 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1338","0.1045","","","0.2664","0.2765","","","","2.91","2.91","2.5","","","","has coordinates","221507","2020-10-21","18:00:00",""
"4128387","66.269","0.005","8.948","0.0005","8.8839","0.0006","90","","93.179","0.004","90","","5259.8","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Pentylammonium Methylammonium Lead iodide","","","- C13 H46 I13 N5 Pb4 -","- C13 H46 I13 N5 Pb4 -","- C52 H184 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.1339","0.0699","","","0.1812","0.2057","","","","1.79","1.79","1.48","","","","has coordinates","221508","2020-10-21","18:00:00",""
"4128388","68.752","0.008","8.9445","0.0009","8.8984","0.0009","90","","93.77","0.005","90","","5460.2","1","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C15 H50 I13 N5 Pb4 -","- C15 H50 I13 N5 Pb4 -","- C60 H200 I52 N20 Pb16 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.111","0.0829","","","0.218","0.2263","","","","2.67","2.67","2.32","","","","has coordinates","221509","2020-10-21","18:00:00",""
"4128389","26.9783","0.0002","8.954","0.0002","8.8757","0.0006","90","","95.5426","0.0009","90","","2134.02","0.15","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Pentylammonium Methylammonium Lead iodide","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C24 H80 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0571","0.0432","","","0.1222","0.127","","","","2.13","2.13","1.93","","","","has coordinates","221510","2020-10-21","18:00:00",""
"4128390","28.1426","0.0002","8.9413","0.0001","8.9025","0.0005","90","","94.5632","0.001","90","","2233.05","0.13","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","Hexylammonium Methylammonium Lead iodide","","","- C14 H44 I10 N4 Pb3 -","- C14 H44 I10 N4 Pb3 -","- C28 H88 I20 N8 Pb6 -","2","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0815","0.0519","","","0.1369","0.1496","","","","1.66","1.66","1.47","","","","has coordinates","221511","2020-10-21","18:00:00",""
"4128391","45.3552","0.0008","8.9209","0.0002","8.8062","0.0002","90","","98.2088","0.0008","90","","3526.56","0.13","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Hexylammonium Methylammonium Lead iodide","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","1","","Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun; Tu, Qing; Chen, Michelle; Tsai, Hsinhan; He, Yihui; Shekhawat, Gajendra; Dravid, Vinayak P.; Wasielewski, Michael R.; Mohite, Aditya D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Uniaxial Expansion of the 2D Ruddlesden-Popper Perovskite Family for Improved Environmental Stability.","Journal of the American Chemical Society","2019","141","13","5518","5534","10.1021/jacs.9b01327","","x-ray","0.71073","MoKα","","0.0579","0.0443","","","0.1172","0.1242","","","","1.73","1.73","1.63","","","","has coordinates","221512","2020-10-21","18:00:00",""
"4128392","16.181","0.002","16.229","0.002","18.735","0.003","64.77","0.002","76.472","0.002","76.628","0.002","4278.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.18 H63.18 Cl3.54 F12 N4 -","- C99.181 H63.181 Cl3.543 F12 N4 -","- C198.362 H126.362 Cl7.086 F24 N8 -","2","1","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.","Journal of the American Chemical Society","2019","141","14","5987","5994","10.1021/jacs.9b01038","","","0.71073","MoKα","","0.1456","0.0894","","","0.2179","0.2563","","","","","","1.017","","","","has coordinates,has disorder","221513","2020-10-21","18:00:00",""
"4128393","15.1005","0.0014","16.7532","0.0015","18.7562","0.0017","90.18","0.001","109.151","0.001","97.462","0.001","4439.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H64 F12 N4 O -","- C98 H64 F12 N4 O -","- C196 H128 F24 N8 O2 -","2","1","","Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko","Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.","Journal of the American Chemical Society","2019","141","14","5987","5994","10.1021/jacs.9b01038","","","0.71073","MoKα","","0.0891","0.0634","","","0.168","0.1878","","","","","","1.036","","","","has coordinates,has disorder","221514","2020-10-21","18:00:00",""
"4128394","9.5175","0.0001","10.2604","0.0001","22.887","0.0003","90","","90","","90","","2234.99","0.04","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","Lin, Hua-Chen; Xie, Pei-Pei; Dai, Zhen-Yao; Zhang, Shuo-Qing; Wang, Pu-Sheng; Chen, Yu-Gen; Wang, Tian-Ci; Hong, Xin; Gong, Liu-Zhu","Nucleophile-Dependent Z/ E- and Regioselectivity in the Palladium-Catalyzed Asymmetric Allylic C-H Alkylation of 1,4-Dienes.","Journal of the American Chemical Society","2019","141","14","5824","5834","10.1021/jacs.8b13582","","","1.54184","CuKα","","0.0339","0.0327","","","0.0896","0.0911","","","","","","1.035","","","","has coordinates","221515","2020-10-21","18:00:00",""
"4128395","5.4588","0.00013","10.6465","0.0003","21.7635","0.0006","90","","90","","90","","1264.83","0.06","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0368","0.0331","","","0.0829","0.086","","","","","","1.074","","","","has coordinates","221516","2020-10-21","18:00:00",""
"4128396","7.0976","0.0012","12.673","0.003","8.57","0.0015","90","","112.29","0.02","90","","713.3","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H15 Co I2 O -","- C11 H15 Co I2 O -","- C22 H30 Co2 I4 O2 -","2","0.5","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0824","0.0758","","","0.1814","0.1863","","","","","","1.057","","","","has coordinates,has disorder","221517","2020-10-21","18:00:00",""
"4128397","9.1246","0.0002","6.02431","0.00018","23.2712","0.0005","90","","100.952","0.002","90","","1255.91","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0381","0.0351","","","0.0925","0.0955","","","","","","1.045","","","","has coordinates","221518","2020-10-21","18:00:00",""
"4128398","7.8959","0.00014","18.3744","0.0003","10.6262","0.0002","90","","104.823","0.002","90","","1490.37","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Co I2 O3 -","- C33 H29 Co I2 O3 -","- C66 H58 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0459","0.0337","","","0.0616","0.0676","","","","","","1.049","","","","has coordinates","221519","2020-10-21","18:00:00",""
"4128399","7.74793","0.00011","12.5796","0.0002","18.6446","0.0003","90","","99.7262","0.0016","90","","1791.09","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H37 Co I2 O3 -","- C40 H37 Co I2 O3 -","- C80 H74 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0407","0.0331","","","0.0659","0.0698","","","","","","1.03","","","","has coordinates,has disorder","221520","2020-10-21","18:00:00",""
"4128400","14.8651","0.0005","7.3449","0.0003","15.0607","0.0006","90","","98.255","0.004","90","","1627.33","0.11","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H23 Co I2 O3 -","- C30 H23 Co I2 O3 -","- C60 H46 Co2 I4 O6 -","2","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0415","0.0314","","","0.0557","0.0602","","","","","","0.984","","","","has coordinates","221522","2020-10-21","18:00:00",""
"4128401","10.8622","0.0002","5.17605","0.00011","19.432","0.0004","90","","101.425","0.0019","90","","1070.88","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","2","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0412","0.0372","","","0.0933","0.097","","","","","","1.013","","","","has coordinates","221523","2020-10-21","18:00:00",""
"4128402","9.9249","0.0002","12.0314","0.0003","25.6817","0.0006","90","","90","","90","","3066.66","0.12","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Co I2 O3 -","- C34 H31 Co I2 O3 -","- C136 H124 Co4 I8 O12 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.069","0.0733","","","","","","1.06","","","","has coordinates","221524","2020-10-21","18:00:00",""
"4128403","11.7035","0.0005","7.6414","0.0003","10.7527","0.0004","90","","93.565","0.004","90","","959.77","0.07","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0544","0.0429","","","0.1009","0.1072","","","","","","1.082","","","","has coordinates,has disorder","221525","2020-10-21","18:00:00",""
"4128404","7.5991","0.0015","9.5866","0.0019","20.193","0.004","90","","90","","90","","1471.1","0.5","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn N9 -","- C10 H20 Mn N9 -","- C40 H80 Mn4 N36 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0455","0.0418","","","0.1078","0.1099","","","","","","1.088","","","","has coordinates","221526","2020-10-21","18:00:00",""
"4128405","8.3841","0.0011","15.402","0.002","17.081","0.002","73.318","0.003","81.288","0.003","89.959","0.003","2086.4","0.5","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Mn N9 Si2 -","- C12 H30 Mn N9 Si2 -","- C48 H120 Mn4 N36 Si8 -","4","2","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0767","0.046","","","0.1026","0.1154","","","","","","1.014","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4128406","17.504","0.002","18.005","0.002","17.337","0.002","90","","113.955","0.002","90","","4993.3","1","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 Mn2 N26 O2 -","- C38 H78 Mn2 N26 O2 -","- C152 H312 Mn8 N104 O8 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0675","0.0454","","","0.1085","0.1173","","","","","","1.05","","","","has coordinates,has disorder","221526","2020-10-21","18:00:00",""
"4128407","8.5118","0.0004","21.5727","0.001","14.8041","0.0007","90","","98.907","0.005","90","","2685.6","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N6 O5 -","- C30 H30 N6 O5 -","- C120 H120 N24 O20 -","4","1","","Kang, Suk-Il; Lee, Milim; Lee, Dongwhan","Weak Links To Differentiate Weak Bonds: Size-Selective Response of π-Conjugated Macrocycle Gels to Ammonium Ions.","Journal of the American Chemical Society","2019","141","14","5980","5986","10.1021/jacs.9b01002","","x-ray","0.71073","MoKα","","0.0699","0.0487","","","0.1253","0.1391","","","","","","1.0581","","","","has coordinates","221527","2020-10-21","18:00:00",""
"4128408","4.22755","0.00016","26.151","0.0008","18.5287","0.0007","90","","95.85","0.003","90","","2037.77","0.13","100.1","0.8","100.1","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2^1E,2^8E)-1^5,3^5-dibromo-2^2,2^7-dihydro-4,7,10-trioxa-2(2,7)-benzo[1,2-d:3,4-d']bis([1,2,3]triazole)a-1,3(1,2)-dibenzenacyclodecaphane","","- C22 H16 Br2 N6 O3 -","- C22 H16 Br2 N6 O3 -","- C88 H64 Br8 N24 O12 -","4","1","","Kang, Suk-Il; Lee, Milim; Lee, Dongwhan","Weak Links To Differentiate Weak Bonds: Size-Selective Response of π-Conjugated Macrocycle Gels to Ammonium Ions.","Journal of the American Chemical Society","2019","141","14","5980","5986","10.1021/jacs.9b01002","","x-ray","1.54184","CuKα","","0.0322","0.0297","","","0.0775","0.0797","","","","","","1.049","","","","has coordinates","221528","2020-10-21","18:00:00",""
"4128409","12.297","0.003","7.774","0.0016","20.789","0.004","90","","90.85","0.03","90","","1987.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","1","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","Synchrotron","","0.0645","0.0602","","","0.1762","0.1849","","","","","","1.071","","","","has coordinates","221529","2020-10-21","18:00:00",""
"4128410","12.338","0.003","7.906","0.0016","21.055","0.004","90","","90","","90","","2053.8","0.8","293","2","293","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","Synchrotron","","0.0525","0.0433","","","0.1178","0.126","","","","","","1.04","","","","has coordinates,has disorder","221530","2020-10-21","18:00:00",""
"4128411","12.283","0.003","7.782","0.0016","20.867","0.004","90","","90","","90","","1994.6","0.7","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C12 H17 F9 N6 O7 -","- C12 H17 F9 N6 O7 -","- C48 H68 F36 N24 O28 -","4","0.5","","Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.","Journal of the American Chemical Society","2019","141","14","5645","5649","10.1021/jacs.9b01866","","","0.6525","synchrotron","","0.0478","0.046","","","0.1362","0.1386","","","","","","1.122","","","","has coordinates,has disorder","221531","2020-10-21","18:00:00",""
"4128412","6.606","0.0001","12.0607","0.0002","31.8122","0.0008","90","","90","","90","","2534.57","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35.5 Br N3 O3.75 -","- C23 H35.5 Br N3 O3.75 -","- C92 H142 Br4 N12 O15 -","4","1","","Combes, Sébastien; Tran, Khoa Truong; Ayhan, Mehmet Menaf; Karoui, Hakim; Rockenbauer, Antal; Tonetto, Alain; Monnier, Valérie; Charles, Laurence; Rosas, Roselyne; Viel, Stéphane; Siri, Didier; Tordo, Paul; Clair, Sylvain; Wang, Ruibing; Bardelang, David; Ouari, Olivier","Triangular Regulation of Cucurbit[8]uril 1:1 Complexes.","Journal of the American Chemical Society","2019","141","14","5897","5907","10.1021/jacs.9b00150","","","0.71073","MoKα","","0.0842","0.0525","","","0.1176","0.1481","","","","","","1.154","","","","has coordinates","221532","2020-10-21","18:00:00",""
"4128413","5.1697","0.0006","7.5135","0.0009","9.1628","0.0011","76.716","0.009","74.826","0.009","84.882","0.009","334.15","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 B2 -","- C16 H18 B2 -","- C16 H18 B2 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0534","0.0473","","","0.136","0.1397","","","","","","1.114","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128414","10.3844","0.0007","8.6036","0.0004","12.5024","0.0008","90","","98.997","0.005","90","","1103.26","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B2 -","- C28 H26 B2 -","- C56 H52 B4 -","2","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0562","0.0477","","","0.1226","0.1282","","","","","","1.059","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128415","9.1549","0.0007","9.8159","0.0007","11.6092","0.0009","69.862","0.006","79.949","0.006","81.811","0.006","960.6","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 B2 Li2 O4 -","- C42 H54 B2 Li2 O4 -","- C42 H54 B2 Li2 O4 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0873","0.0604","","","0.141","0.1523","","","","","","0.978","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128416","16.846","0.002","10.2105","0.0008","15.0325","0.0017","90","","106.425","0.009","90","","2480.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 B2 Na2 O3 -","- C24 H34 B2 Na2 O3 -","- C96 H136 B8 Na8 O12 -","4","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0689","0.0476","","","0.1156","0.1238","","","","","","1.043","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128417","14.6657","0.0007","10.0154","0.0004","21.2355","0.001","90","","102.926","0.004","90","","3040.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B2 K2 O4 -","- C28 H42 B2 K2 O4 -","- C112 H168 B8 K8 O16 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.073","0.0597","","","0.1597","0.1696","","","","","","1.021","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128418","6.358","0.0009","12.581","0.002","19.691","0.003","90","","90.278","0.012","90","","1575.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 K2 O2 -","- C34 H38 B2 K2 O2 -","- C68 H76 B4 K4 O4 -","2","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.138","0.0735","","","0.1518","0.175","","","","","","0.971","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128419","16.013","0.0008","17.3067","0.0006","34.7821","0.0019","90","","101.572","0.004","90","","9443.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H134 B4 Na4 O12 -","- C94 H134 B4 Na4 O12 -","- C376 H536 B16 Na16 O48 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1432","0.0682","","","0.1531","0.1844","","","","","","0.97","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128420","22.959","0.002","9.4933","0.0008","18.771","0.002","90","","90","","90","","4091.3","0.7","173","2","173","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C36 H60 B2 K2 O12 -","- C36 H60 B2 K2 O12 -","- C144 H240 B8 K8 O48 -","4","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1055","0.0422","","","0.0586","0.0699","","","","","","0.872","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128421","11.1111","0.0003","24.7167","0.0005","16.6417","0.0004","90","","107.866","0.002","90","","4349.91","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B4 K4 O3 -","- C40 H56 B4 K4 O3 -","- C160 H224 B16 K16 O12 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0517","0.0441","","","0.1148","0.1196","","","","","","1.059","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128422","11.9532","0.0007","12.655","0.0007","15.273","0.0009","112.47","0.004","90.868","0.005","100.044","0.005","2093.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 B4 K4 O14 -","- C84 H112 B4 K4 O14 -","- C84 H112 B4 K4 O14 -","1","0.5","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0506","0.0367","","","0.0902","0.095","","","","","","1.048","","","","has coordinates","221533","2020-10-21","18:00:00",""
"4128423","13.8997","0.0006","13.1337","0.0005","25.5265","0.0012","90","","104.454","0.004","90","","4512.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 B2 Li N O9 -","- C45 H70 B2 Li N O9 -","- C180 H280 B8 Li4 N4 O36 -","4","1","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.0955","0.0637","","","0.158","0.1734","","","","","","1.042","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128424","14.3173","0.0013","12.8231","0.0008","20.9241","0.0018","90","","102.873","0.007","90","","3744.9","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H58 B2 Li2 O9 -","- C36 H58 B2 Li2 O9 -","- C144 H232 B8 Li8 O36 -","4","2","","von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.","Journal of the American Chemical Society","2019","141","14","6082","6091","10.1021/jacs.9b01998","","","0.71073","MoKα","","0.1072","0.0678","","","0.1387","0.1541","","","","","","0.95","","","","has coordinates,has disorder","221533","2020-10-21","18:00:00",""
"4128425","8.2267","0.0005","41.4797","0.0019","53.185","0.003","90","","92.465","0.003","90","","18132.1","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C198 H198 O6 -","- C198 H198 O6 -","- C792 H792 O24 -","4","1","","Lu, Xuefeng; Gopalakrishna, Tullimilli Y.; Han, Yi; Ni, Yong; Zou, Ya; Wu, Jishan","Bowl-Shaped Carbon Nanobelts Showing Size-Dependent Properties and Selective Encapsulation of C<sub>70</sub>.","Journal of the American Chemical Society","2019","141","14","5934","5941","10.1021/jacs.9b00683","","","1.54178","CuKα","","0.2727","0.2283","","","0.5072","0.5377","","","","","","1.674","","","","has coordinates,has disorder","221534","2020-10-21","18:00:00",""
"4128426","8.3462","0.0005","11.106","0.0007","12.021","0.0006","112.915","0.005","99.596","0.004","105.642","0.005","940.81","0.11","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C42 H54 Br2 O8 -","2","1","","Huang, David; Szewczyk, Suzanne M.; Zhang, Pengpeng; Newhouse, Timothy R.","Allyl-Nickel Catalysis Enables Carbonyl Dehydrogenation and Oxidative Cycloalkenylation of Ketones.","Journal of the American Chemical Society","2019","141","14","5669","5674","10.1021/jacs.9b02552","","","0.71073","MoKα","","0.0518","0.0409","","","0.1027","0.1092","","","","","","1.1","","","","has coordinates","221535","2020-10-21","18:00:00",""
"4128427","9.3155","0.0007","8.4154","0.0006","9.8563","0.0007","90","","112.865","0.002","90","","711.96","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Zhang, Wu-Bin; Yang, Xin-Tuo; Ma, Jun-Bao; Su, Zhi-Ming; Shi, Shi-Liang","Regio- and Enantioselective C-H Cyclization of Pyridines with Alkenes Enabled by a Nickel/N-Heterocyclic Carbene Catalysis.","Journal of the American Chemical Society","2019","141","14","5628","5634","10.1021/jacs.9b00931","","","1.54178","CuKα","","0.031","0.0301","","","0.077","0.0779","","","","","","1.026","","","","has coordinates","221536","2020-10-21","18:00:00",""
"4128428","15.775","0.0012","8.5272","0.0006","14.2714","0.0011","90","","100.924","0.001","90","","1885","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 S3 -","- C23 H20 S3 -","- C92 H80 S12 -","4","1","","Ishiwari, Fumitaka; Nascimbeni, Giulia; Sauter, Eric; Tago, Hiromu; Shoji, Yoshiaki; Fujii, Shintaro; Kiguchi, Manabu; Tada, Tomofumi; Zharnikov, Michael; Zojer, Egbert; Fukushima, Takanori","Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation.","Journal of the American Chemical Society","2019","141","14","5995","6005","10.1021/jacs.9b00950","","","0.71073","MoKα","","0.0336","0.0311","","","0.0798","0.0813","","","","","","1.068","","","","has coordinates","221537","2020-10-21","18:00:00",""
"4128429","10.7286","0.0004","11.7519","0.0004","15.0753","0.0005","95.481","0.002","102.26","0.002","115.318","0.002","1641.19","0.11","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H39 Cr O3 -","- C42 H39 Cr O3 -","- C84 H78 Cr2 O6 -","2","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","1.54178","CuKα","","0.0685","0.0493","","","0.0983","0.1061","","","","","","1.041","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128430","11.5802","0.001","15.8845","0.0012","20.0281","0.0017","90","","103.123","0.003","90","","3587.9","0.5","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Cr O3 -","- C45 H45 Cr O3 -","- C180 H180 Cr4 O12 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0594","0.0409","","","0.1106","0.1225","","","","","","1.059","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128431","12.015","0.0016","12.4851","0.0016","15.1703","0.0019","75.513","0.005","87.541","0.005","80.203","0.005","2171.2","0.5","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 Cr O3 -","- C21 H21 Cr O3 -","- C84 H84 Cr4 O12 -","4","2","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0897","0.061","","","0.1147","0.1247","","","","","","1.039","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128432","20.0935","0.001","11.1921","0.0006","10.9889","0.0005","90","","116.859","0.002","90","","2204.68","0.19","100","2","100.05","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H29 Cr O4.58 -","- C25 H29 Cr O4.583 -","- C100 H116 Cr4 O18.332 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0366","0.031","","","0.073","0.075","","","","","","1.028","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128433","8.3974","0.0004","22.6187","0.001","12.1007","0.0005","90","","92.754","0.002","90","","2295.73","0.18","100","2","100.09","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cr O3 -","- C27 H33 Cr O3 -","- C108 H132 Cr4 O12 -","4","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0631","0.0444","","","0.0987","0.1056","","","","","","1.065","","","","has coordinates","221538","2020-10-21","18:00:00",""
"4128434","12.9268","0.0007","16.7595","0.001","18.995","0.0009","104.445","0.002","96.51","0.002","107.746","0.002","3714.6","0.4","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C77.5 H62 B Cl Cr F24 N O2 P2 -","- C77.5 H62 B Cl Cr F24 N O2 P2 -","- C155 H124 B2 Cl2 Cr2 F48 N2 O4 P4 -","2","1","","Hirscher, Nathanael A.; Perez Sierra, Danny; Agapie, Theodor","Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst.","Journal of the American Chemical Society","2019","141","14","6022","6029","10.1021/jacs.9b01387","","","0.71073","MoKα","","0.0808","0.0621","","","0.1413","0.15","","","","","","1.1","","","","has coordinates,has disorder","221538","2020-10-21","18:00:00",""
"4128435","32.1523","0.0012","8.6704","0.0002","32.0714","0.0015","90","","115.022","0.005","90","","8101.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 B Eu N2 O9 -","- C33 H36 B Eu O7 -","- C264 H288 B8 Eu8 O56 -","8","1","","Ebrahim, Fatmah Mish; Nguyen, Tu N.; Shyshkanov, Serhii; Gładysiak, Andrzej; Favre, Patrick; Zacharia, Anna; Itskos, Grigorios; Dyson, Paul J.; Stylianou, Kyriakos C.","Selective, Fast-Response, and Regenerable Metal-Organic Framework for Sampling Excess Fluoride Levels in Drinking Water.","Journal of the American Chemical Society","2019","141","7","3052","3058","10.1021/jacs.8b11907","","x-ray","0.7142","","","0.134","0.1294","","","0.2641","0.2665","","","","","","1.072","","","","has coordinates","221539","2020-10-21","18:00:00",""
"4128436","9.855","0.003","13.243","0.003","13.89","0.005","90","","101.25","0.02","90","","1777.9","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H51 N O8 -","- C41 H51 N O8 -","- C82 H102 N2 O16 -","2","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","x-ray","0.71073","MoKα","","0.0601","0.0567","","","0.1443","0.1471","","","","","","1.086","","","","has coordinates","221540","2020-10-21","18:00:00",""
"4128437","9.8763","0.0017","15.381","0.003","15.448","0.003","90","","90","","90","","2346.7","0.8","115","","115","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","","0.71073","MoKα","","0.0431","0.039","","","0.0878","0.0897","","","","","","1.087","","","","has coordinates","221541","2020-10-21","18:00:00",""
"4128438","19.503","0.002","19.503","0.002","11.1225","0.0017","90","","90","","120","","3663.8","0.8","100","2","100","","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- C62 H32 Cr3 O16 -","- C62 H32 Cr3 O16 -","- C62 H32 Cr3 O16 -","1","0.0833333","","Chen, Zhijie; Li, Penghao; Zhang, Xuan; Li, Peng; Wasson, Megan C.; Islamoglu, Timur; Stoddart, J. Fraser; Farha, Omar K.","Reticular Access to Highly Porous acs-MOFs with Rigid Trigonal Prismatic Linkers for Water Sorption.","Journal of the American Chemical Society","2019","141","7","2900","2905","10.1021/jacs.8b13710","","","1.54178","CuKα","","0.0628","0.0466","","","0.1152","0.1246","","","","","","0.939","","","","has coordinates","221542","2020-10-21","18:00:00",""
"4128439","13.9834","0.0001","10.838","0.0001","11.6223","0.0001","90","","97.462","0.001","90","","1746.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N2 O3 -","- C17 H31 N2 O3 -","- C68 H124 N8 O12 -","4","1","","Siu, Juno C.; Parry, Joseph B.; Lin, Song","Aminoxyl-Catalyzed Electrochemical Diazidation of Alkenes Mediated by a Metastable Charge-Transfer Complex.","Journal of the American Chemical Society","2019","141","7","2825","2831","10.1021/jacs.8b13192","","x-ray","1.54184","CuKα","","0.0371","0.0346","","","0.091","0.0929","","","","","","1.032","","","","has coordinates","221543","2020-10-21","18:00:00",""
"4128440","6.5749","0.0007","9.8918","0.0009","11.4738","0.0012","66.667","0.002","86.471","0.003","89.021","0.002","683.88","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Au Cl2 N4 -","- C11 H11 Au Cl2 N4 -","- C22 H22 Au2 Cl4 N8 -","2","1","","Li, Weipeng; Yuan, Dandan; Wang, Guoqiang; Zhao, Yue; Xie, Jin; Li, Shuhua; Zhu, Chengjian","Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight.","Journal of the American Chemical Society","2019","141","7","3187","3197","10.1021/jacs.8b12929","","","0.71073","MoKα","","0.0862","0.0846","","","0.2274","0.2288","","","","","","1.077","","","","has coordinates,has disorder","221544","2020-10-21","18:00:00",""
"4128441","3.313","0.002","9.985","0.006","13.4","0.008","90","","90","","90","","443.3","0.5","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B2 Li2 Na2 O5 -","- B2 Li2 Na2 O5 -","- B8 Li8 Na8 O20 -","4","0.25","","Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li<sub>2</sub>Na<sub>2</sub>B<sub>2</sub>O<sub>5</sub> Material with an Unvalued B<sub>2</sub>O<sub>5</sub> Functional Gene.","Journal of the American Chemical Society","2019","141","7","3258","3264","10.1021/jacs.8b13402","","","0.71073","MoKα","","0.0358","0.0304","","","0.0824","0.0853","","","","","","1.174","","","","has coordinates","221545","2020-10-21","18:00:00",""
"4128442","10.1047","0.0006","14.132","0.0007","14.8352","0.0008","111.146","0.005","93.115","0.005","104.921","0.005","1883.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ph2-s-PCPL+","","- C47 H25.7 Cl4 F3 O5 S -","- C47 H25.674 Cl4 F3 O5 S -","- C94 H51.348 Cl8 F6 O10 S2 -","2","1","","Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.","A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials.","Journal of the American Chemical Society","2019","141","7","3240","3248","10.1021/jacs.8b13300","","x-ray","0.71073","MoKα","","0.1645","0.0969","","","0.2612","0.3193","","","","","","1.029","","","","has coordinates,has disorder","221546","2020-10-21","18:00:00",""
"4128443","9.0833","0.0006","9.8014","0.0006","11.365","0.0007","106.928","0.005","111.639","0.006","92.186","0.005","887.63","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","Ph2-IDPL","","- C46 H26 Cl6 -","- C46 H26 Cl6 -","- C46 H26 Cl6 -","1","0.5","","Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.","A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials.","Journal of the American Chemical Society","2019","141","7","3240","3248","10.1021/jacs.8b13300","","x-ray","0.71073","MoKα","","0.0943","0.0822","","","0.2435","0.2561","","","","","","1.068","","","","has coordinates","221547","2020-10-21","18:00:00",""
"4128444","16.926","0.004","9.04","0.002","15.522","0.004","90","","101.987","0.008","90","","2323.2","1","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Cu F9 N -","- C8 H5 Cu F9 N -","- C64 H40 Cu8 F72 N8 -","8","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0523","0.0353","","","0.0899","0.0982","","","","","","1.008","","","","has coordinates","221548","2020-10-21","18:00:00",""
"4128445","9.3496","0.0006","12.2827","0.0008","14.2427","0.0009","97.25","0.002","106.305","0.002","94.849","0.002","1544.86","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 Cl Cu F9 N2 -","- C25 H41 Cl Cu F9 N2 -","- C50 H82 Cl2 Cu2 F18 N4 -","2","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.079","0.0466","","","0.1205","0.1347","","","","","","1.016","","","","has coordinates","221549","2020-10-21","18:00:00",""
"4128446","28.67","0.002","12.0733","0.0008","16.8245","0.0012","90","","104.183","0.004","90","","5646.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 Cu F9 N2 -","- C23 H42 Cu F9 N2 -","- C184 H336 Cu8 F72 N16 -","8","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0671","0.0456","","","0.1027","0.1122","","","","","","1.066","","","","has coordinates","221550","2020-10-21","18:00:00",""
"4128447","9.992","0.0004","11.5379","0.0004","13.0599","0.0005","96.997","0.001","92.663","0.001","92.2","0.001","1491.33","0.1","248","2","248","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cu F9 N -","- C26 H43 Cu F9 N -","- C52 H86 Cu2 F18 N2 -","2","1","","Paeth, Matthew; Tyndall, Sam B.; Chen, Liang-Yu; Hong, Jia-Cheng; Carson, William P.; Liu, Xingwu; Sun, Xiaodong; Liu, Jinjia; Yang, Kundi; Hale, Elizabeth M.; Tierney, David L.; Liu, Bin; Cao, Zhi; Cheng, Mu-Jeng; Goddard, 3rd, William A; Liu, Wei","Csp<sup>3</sup>-Csp<sup>3</sup> Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes.","Journal of the American Chemical Society","2019","141","7","3153","3159","10.1021/jacs.8b12632","","","0.71073","MoKα","","0.0891","0.0518","","","0.1173","0.1326","","","","","","1.027","","","","has coordinates","221551","2020-10-21","18:00:00",""
"4128448","8.3692","0.0004","15.4456","0.0007","18.9453","0.001","68.171","0.003","88.703","0.004","77.059","0.003","2210.7","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-6F","","- C94 H76 F6 N4 O2 S4 -","- C94 H76 F6 N4 O2 S4 -","- C94 H76 F6 N4 O2 S4 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1367","0.1234","","","0.3163","0.3243","","","","","","1.062","","","","has coordinates,has disorder","221552","2020-10-21","18:00:00",""
"4128449","15.4222","0.0008","17.6025","0.0011","21.1852","0.0012","73.995","0.004","68.809","0.004","81.206","0.004","5145.3","0.5","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","ITIC-4F","","- C188 H160 F8 N8 O4 S8 -","- C188 H160 F8 N8 O4 S8 -","- C188 H160 F8 N8 O4 S8 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1853","0.1504","","","0.4104","0.4355","","","","","","1.61","","","","has coordinates,has disorder","221553","2020-10-21","18:00:00",""
"4128450","15.467","0.0005","17.5307","0.0007","20.7381","0.0008","82.827","0.003","68.565","0.002","80.934","0.002","5154.9","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","ITIC-0F:ITIC-4F cocrystal","","- C189 H162 Br2 F4 N8 O4 S8 -","- C189 H162 Br2 F4 N8 O4 S8 -","- C189 H162 Br2 F4 N8 O4 S8 -","1","0.5","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.1754","0.1532","","","0.4224","0.4418","","","","","","1.773","","","","has coordinates,has disorder","221554","2020-10-21","18:00:00",""
"4128451","8.42","0.006","23.019","0.017","23.126","0.017","101.78","0.01","95.319","0.01","91.105","0.014","4366","6","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","ITIC-0F","","- C96 H86 Br4 N4 O2 S4 -","- C96 H86 Br4 N4 O2 S4 -","- C192 H172 Br8 N8 O4 S8 -","2","1","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","0.71073","MoKα","","0.1266","0.096","","","0.2792","0.3063","","","","","","1.041","","","","has coordinates,has disorder","221555","2020-10-21","18:00:00",""
"4128452","15.5206","0.0009","17.8326","0.0016","20.96","0.0019","72.141","0.008","68.454","0.006","80.226","0.007","5125.1","0.8","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","ITIC-2F","","- C94 H80 F2 N4 O2 S4 -","- C94 H80 F2 N4 O2 S4 -","- C188 H160 F4 N8 O4 S8 -","2","1","","Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J.","Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.","Journal of the American Chemical Society","2019","141","7","3274","3287","10.1021/jacs.8b13653","","","1.54178","CuKα","","0.2814","0.2316","","","0.5059","0.5329","","","","","","1.614","","","","has coordinates,has disorder","221556","2020-10-21","18:00:00",""
"4128453","7.339","0.0007","7.6739","0.0007","11.4931","0.001","105.065","0.002","95.119","0.002","114.634","0.002","553.57","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 B Cl O2 -","- C10 H18 B Cl O2 -","- C20 H36 B2 Cl2 O4 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0485","0.0434","","","0.1122","0.1157","","","","","","1.085","","","","has coordinates","221557","2020-10-21","18:00:00",""
"4128454","7.2805","0.0002","11.3131","0.0003","13.8979","0.0004","78.564","0.001","78.616","0.001","85.234","0.001","1098.75","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Cl3 O4 -","- C21 H29 Cl3 O4 -","- C42 H58 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0294","0.0277","","","0.0746","0.0756","","","","","","1.083","","","","has coordinates","221558","2020-10-21","18:00:00",""
"4128455","10.912","0.0005","9.4971","0.0005","11.5555","0.0006","90","","99.171","0.002","90","","1182.22","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl3 O4 -","- C23 H31 Cl3 O4 -","- C46 H62 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","1.54184","CuKα","","0.0291","0.0289","","","0.0763","0.0764","","","","","","1.037","","","","has coordinates","221559","2020-10-21","18:00:00",""
"4128456","10.1102","0.0013","11.1721","0.0013","11.1221","0.0014","90","","115.225","0.003","90","","1136.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C48 H52 Cl4 O16 -","4","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0613","0.0407","","","0.0949","0.1046","","","","","","1.056","","","","has coordinates","221560","2020-10-21","18:00:00",""
"4128457","7.2288","0.0001","10.311","0.0002","15.9253","0.0003","75.328","0.001","87.251","0.001","72.819","0.001","1096.6","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Cl3 O4 -","- C21 H29 Cl3 O4 -","- C42 H58 Cl6 O8 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0366","0.032","","","0.0835","0.0867","","","","","","1.067","","","","has coordinates","221561","2020-10-21","18:00:00",""
"4128458","10.7112","0.0013","11.688","0.0014","12.6327","0.0015","89.4701","0.0018","89.1293","0.0019","79.0974","0.0019","1552.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 Cl2 O8 -","- C33 H35 Cl2 O8 -","- C66 H70 Cl4 O16 -","2","1","","Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z.","Enantioselective Synthesis of Azamerone.","Journal of the American Chemical Society","2019","141","7","2867","2871","10.1021/jacs.8b12566","","","0.71073","MoKα","","0.0515","0.0372","","","0.0892","0.0961","","","","","","1.028","","","","has coordinates","221562","2020-10-21","18:00:00",""
"4128459","6.4263","0.0003","12.1889","0.0006","24.4609","0.0013","90","","90","","90","","1916.01","0.17","100","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Bertuzzi, Giulio; Thøgersen, Mathias Kirk; Giardinetti, Maxime; Vidal-Albalat, Andreu; Simon, Adam; Houk, K. N.; Jørgensen, Karl Anker","Catalytic Enantioselective Hetero-[6+4] and -[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles.","Journal of the American Chemical Society","2019","141","7","3288","3297","10.1021/jacs.8b13659","","","0.56086","AgKα","","0.0606","0.046","","","0.0895","0.0973","","","","","","1.0516","","","","has coordinates","221563","2020-10-21","18:00:00",""
"4128460","7.5553","0.0002","13.0406","0.0003","14.8215","0.0003","90","","90","","90","","1460.3","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_100","maimone68","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.03","0.0293","","","0.0765","0.0774","","","","","","1.042","","","","has coordinates","221564","2020-10-21","18:00:00",""
"4128461","6.7812","0.0003","11.9069","0.0005","16.4542","0.0007","90","","90","","90","","1328.56","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_145_2","maimone69","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0308","0.0292","","","0.0767","0.0779","","","","","","1.067","","","","has coordinates","221565","2020-10-21","18:00:00",""
"4128462","6.83561","0.00004","15.11333","0.00009","30.94568","0.00018","90","","90","","90","","3196.96","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl3 O5 -","- C33 H47 Cl3 O5 -","- C132 H188 Cl12 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0488","0.0483","","","0.1394","0.1398","","","","","","1.056","","","","has coordinates","221566","2020-10-21","18:00:00",""
"4128463","6.2584","0.001","7.9523","0.0013","8.4873","0.0013","62.655","0.007","69.084","0.008","82.665","0.008","350.14","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","ZY_072_lit","","","- C15 H22 O5 -","- C15 H22 O5 -","- C15 H22 O5 -","1","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0364","0.0348","","","0.0878","0.0887","","","","","","1.028","","","","has coordinates","221567","2020-10-21","18:00:00",""
"4128464","7.42853","0.00007","12.26292","0.00011","16.19471","0.00013","90","","90","","90","","1475.26","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0264","0.0263","","","0.07","0.07","","","","","","1.02","","","","has coordinates","221568","2020-10-21","18:00:00",""
"4128465","7.37217","0.00006","9.20606","0.00007","10.02549","0.00008","90","","93.8045","0.0007","90","","678.917","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0261","0.0261","","","0.0685","0.0685","","","","","","1.076","","","","has coordinates","221569","2020-10-21","18:00:00",""
"4128466","6.2397","0.0004","11.9278","0.0007","9.1162","0.0005","90","","103.411","0.003","90","","659.98","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","KH_3_087_1","maimone58","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0268","0.0264","","","0.072","0.0724","","","","","","1.065","","","","has coordinates","221570","2020-10-21","18:00:00",""
"4128467","8.0619","0.0008","9.8882","0.001","9.804","0.001","90","","113.579","0.004","90","","716.3","0.13","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.024","0.0237","","","0.063","0.0633","","","","","","1.1151","","","","has coordinates","221571","2020-10-21","18:00:00",""
"4128468","7.7264","0.0003","11.6672","0.0005","15.5282","0.0006","90","","90","","90","","1399.8","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","KH_2_Cl","maimone46","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C60 H84 Cl4 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0273","0.0256","","","0.0628","0.0639","","","","","","1.064","","","","has coordinates","221572","2020-10-21","18:00:00",""
"4128469","7.0086","0.0006","13.265","0.0014","14.9026","0.0014","90","","90","","90","","1385.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_256","maimone71","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0392","0.0358","","","0.0871","0.0903","","","","","","1.064","","","","has coordinates","221573","2020-10-21","18:00:00",""
"4128470","12.8174","0.0005","13.7159","0.0005","16.1653","0.0006","90","","103.093","0.002","90","","2768.02","0.18","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C120 H176 O32 -","8","4","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0566","0.0468","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates","221574","2020-10-21","18:00:00",""
"4128471","11.9151","0.0001","11.956","0.0001","12.2289","0.0001","90","","90","","90","","1742.09","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C72 H80 O32 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0291","0.029","","","0.0766","0.0767","","","","","","1.048","","","","has coordinates","221575","2020-10-21","18:00:00",""
"4128472","8.7529","0.0002","6.3723","0.0001","11.9743","0.0002","90","","90.872","0.002","90","","667.8","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0335","0.032","","","0.0816","0.0826","","","","","","1.091","","","","has coordinates","221576","2020-10-21","18:00:00",""
"4128473","8.3883","0.0001","11.5548","0.0001","13.553","0.0001","90","","96.319","0.001","90","","1305.65","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0745","0.0745","","","","","","1.055","","","","has coordinates","221577","2020-10-21","18:00:00",""
"4128474","8.0851","0.0009","6.8766","0.0007","10.0457","0.0011","90","","109.579","0.008","90","","526.23","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl2 O P -","- C9 H11 Cl2 O P -","- C18 H22 Cl4 O2 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0361","0.0281","","","0.0675","0.0705","","","","","","1.067","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128475","7.9568","0.0003","7.0412","0.0003","8.3981","0.0003","90","","98.998","0.002","90","","464.72","0.03","100","2","100.01","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H13 O3 P -","- C9 H13 O3 P -","- C18 H26 O6 P2 -","2","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0308","0.0282","","","0.0787","0.0804","","","","","","1.045","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128476","8.7802","0.0003","11.2721","0.0004","12.4055","0.0005","114.987","0.002","104.507","0.002","94.529","0.002","1053.23","0.07","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 O12 P6 -","- C36 H30 O12 P6 -","- C36 H30 O12 P6 -","1","0.5","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0601","0.0403","","","0.0967","0.1038","","","","","","1.056","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128477","12.8407","0.0002","12.7885","0.0002","37.8214","0.0007","90","","90","","90","","6210.78","0.18","100","2","99.98","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H39 O6 P3 -","- C30 H39 O6 P3 -","- C240 H312 O48 P24 -","8","2","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0642","0.0503","","","0.116","0.1226","","","","","","1.117","","","","has coordinates,has disorder","221578","2020-10-21","18:00:00",""
"4128478","8.4177","0.0006","17.2187","0.0017","9.4319","0.0007","90","","108.594","0.006","90","","1295.72","0.19","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 O6 P3 -","- C27 H33 O6 P3 -","- C54 H66 O12 P6 -","2","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0727","0.0464","","","0.0816","0.0902","","","","","","1.007","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128479","11.054","0.0002","24.398","0.0004","13.4029","0.0002","90","","97.424","0.001","90","","3584.4","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 O6 P3 -","- C36 H51 O6 P3 -","- C144 H204 O24 P12 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.0515","0.0368","","","0.0881","0.0959","","","","","","1.016","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128480","11.9962","0.0003","8.0932","0.0002","14.1305","0.0004","90","","112.876","0.002","90","","1263.99","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N2 O2 P -","- C13 H15 N2 O2 P -","- C52 H60 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.053","0.0358","","","0.0877","0.0967","","","","","","1.025","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128481","7.9289","0.0006","14.1994","0.0013","13.0373","0.001","90","","92.861","0.006","90","","1466","0.2","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O2 P -","- C16 H21 N2 O2 P -","- C64 H84 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","x-ray","0.71073","MoKα","","0.0775","0.0439","","","0.0924","0.1044","","","","","","1.013","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128482","9.6015","0.0003","22.5281","0.0007","14.3198","0.0004","90","","94.418","0.002","90","","3088.22","0.16","100","2","100.05","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 B F15 N2 O2 P -","- C31 H15 B F15 N2 O2 P -","- C124 H60 B4 F60 N8 O8 P4 -","4","1","","Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian","Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P<sup>V</sup>-O Main Chain.","Journal of the American Chemical Society","2019","141","7","2894","2899","10.1021/jacs.8b13435","","","0.71073","MoKα","","0.098","0.0722","","","0.155","0.1644","","","","","","1.153","","","","has coordinates","221578","2020-10-21","18:00:00",""
"4128483","10.3889","0.0004","12.1012","0.0003","18.1909","0.0006","101.198","0.002","101.994","0.003","99.504","0.003","2143.51","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 Cl N6 Ni Si2 -","- C37 H69 Cl N6 Ni Si2 -","- C74 H138 Cl2 N12 Ni2 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0364","0.0324","","","0.0851","0.0884","","","","","","1.028","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128484","30.1187","0.0003","9.9367","0.0001","30.372","0.0003","90","","100.471","0.001","90","","8938.38","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H69 Cl N5 Ni P Si2 -","- C37 H69 Cl N5 Ni P Si2 -","- C296 H552 Cl8 N40 Ni8 P8 Si16 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0547","0.0386","","","0.0951","0.1057","","","","","","1.021","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128485","30.2685","0.0005","9.9287","0.0002","30.4291","0.0007","90","","101.039","0.002","90","","8975.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H69 As Cl N5 Ni Si2 -","- C37 H69 As Cl N5 Ni Si2 -","- C296 H552 As8 Cl8 N40 Ni8 Si16 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.089","0.0517","","","0.1087","0.1298","","","","","","0.998","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128486","18.5126","0.0004","11.665","0.0002","20.9368","0.0004","90","","113.769","0.002","90","","4137.79","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H68 N6 Ni Si2 -","- C37 H68 N6 Ni Si2 -","- C148 H272 N24 Ni4 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0456","0.0397","","","0.1049","0.1104","","","","","","1.02","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128487","18.5935","0.0003","18.54","0.0003","24.548","0.0005","90","","90","","90","","8462.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H68 N5 Ni P Si2 -","- C37 H68 N5 Ni P Si2 -","- C296 H544 N40 Ni8 P8 Si16 -","8","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0559","0.0381","","","0.0945","0.1053","","","","","","1.015","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128488","12.0277","0.0002","24.3467","0.0004","20.1754","0.0003","90","","93.369","0.001","90","","5897.85","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 B N5 Ni O0.5 P Si2 -","- C57 H88 B N5 Ni O0.5 P Si2 -","- C228 H352 B4 N20 Ni4 O2 P4 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0856","0.0611","","","0.1652","0.1891","","","","","","1.048","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128489","13.2496","0.0012","15.6628","0.0013","19.872","0.002","81.759","0.008","74.827","0.009","66.298","0.009","3641.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H116 N8 Ni2 P2 Si4 -","- C63 H116 N8 Ni2 P2 Si4 -","- C126 H232 N16 Ni4 P4 Si8 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0796","0.0625","","","0.1585","0.1677","","","","","","1.084","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128490","16.0818","0.0005","13.6449","0.0005","27.3122","0.0008","90","","90","","90","","5993.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H96 As2 N6 Ni Si4 -","- C52 H96 As2 N6 Ni Si4 -","- C208 H384 As8 N24 Ni4 Si16 -","4","0.5","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.1","0.0715","","","0.1853","0.2146","","","","","","1.051","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128491","12.4971","0.0004","13.6791","0.0004","18.6705","0.0006","75.272","0.003","76.225","0.003","80.498","0.003","2979.43","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 As N7 Ni2 O Si2 -","- C52 H98 As N7 Ni2 O Si2 -","- C104 H196 As2 N14 Ni4 O2 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0403","0.031","","","0.0757","0.0817","","","","","","1.017","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128492","15.7427","0.0004","18.018","0.0006","20.4069","0.0006","91.496","0.003","102.225","0.002","103.698","0.003","5478.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H90 As Li N7 Ni Si2 -","- C46 H90 As Li N7 Ni Si2 -","- C184 H360 As4 Li4 N28 Ni4 Si8 -","4","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0648","0.0434","","","0.1056","0.1194","","","","","","1.013","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128493","10.3572","0.0002","21.8676","0.0003","15.3918","0.0002","90","","93.764","0.001","90","","3478.52","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B Li N -","- C21 H20 B Li N -","- C168 H160 B8 Li8 N8 -","8","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0588","0.0511","","","0.1368","0.1452","","","","","","1.044","","","","has coordinates","221579","2020-10-21","18:00:00",""
"4128494","8.612","0.0001","8.612","0.0001","14.7393","0.0002","90","","90","","90","","1093.16","0.02","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H18 As Li N2 -","- C6 H18 As Li N2 -","- C24 H72 As4 Li4 N8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0382","0.0374","","","0.0961","0.0991","","","","","","1.079","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128495","14.551","0.0002","16.6693","0.0002","26.9463","0.0003","90","","101.511","0.001","90","","6404.5","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H110 N8 Ni Si4 -","- C58 H110 N8 Ni Si4 -","- C232 H440 N32 Ni4 Si16 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.055","0.0469","","","0.1211","0.1281","","","","","","1.036","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128496","12.463","0.007","15.073","0.008","32.221","0.017","90","","90","","90","","6053","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H53 N O8 P2 Ru -","- C23 H53 N O8 P2 Ru -","- C184 H424 N8 O64 P16 Ru8 -","8","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.1084","0.0621","","","0.1214","0.1368","","","","","","1.019","","","","has coordinates","221580","2020-10-21","18:00:00",""
"4128497","8.6522","0.0017","12.368","0.002","16.043","0.003","76.1","0.003","83.249","0.003","79.846","0.003","1635.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Sayan052518","","","- C31 H31 N O5 P2 Ru -","- C31 H31 N O5 P2 Ru -","- C62 H62 N2 O10 P4 Ru2 -","2","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.055","0.0488","","","0.1483","0.1542","","","","","","1.091","","","","has coordinates,has disorder","221581","2020-10-21","18:00:00",""
"4128498","22.4623","0.0012","11.2375","0.0006","11.9368","0.0007","90","","90","","90","","3013.1","0.3","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0624","0.0421","","","0.1053","0.1127","","","","","","1.04","","","","has coordinates","221582","2020-10-21","18:00:00",""
"4128499","10.1411","0.001","11.0449","0.0012","22.463","0.002","97.093","0.004","96.892","0.004","116.882","0.003","2182.6","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C92 H112 N8 O20 S4 -","4","2","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0573","0.038","","","0.09","0.0959","","","","","","1.036","","","","has coordinates","221583","2020-10-21","18:00:00",""
"4128500","15.1003","0.001","8.7723","0.0006","8.7236","0.0005","90","","90","","90","","1155.57","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0742","0.0515","","","0.1279","0.1369","","","","","","1.051","","","","has coordinates","221585","2020-10-21","18:00:00",""
"4128501","15.6062","0.0016","9.7091","0.001","17.6166","0.0016","90","","105.033","0.003","90","","2578","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl2 N7 O -","- C28 H25 Cl2 N7 O -","- C112 H100 Cl8 N28 O4 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.1474","0.0627","","","0.099","0.1185","","","","","","1.039","","","","has coordinates","221586","2020-10-21","18:00:00",""
"4128502","8.4325","0.0007","13.319","0.0011","16.3809","0.0013","90","","99.593","0.003","90","","1814.1","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","x-ray","0.71073","MoKα","","0.0584","0.0412","","","0.0866","0.0929","","","","","","1.028","","","","has coordinates","221587","2020-10-21","18:00:00",""
"4128503","7.8984","0.0007","10.0654","0.0008","11.7138","0.001","78.839","0.002","74.149","0.002","83.65","0.003","877.25","0.13","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N3 O2 S -","- C19 H23 N3 O2 S -","- C38 H46 N6 O4 S2 -","2","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0367","0.0306","","","0.0848","0.088","","","","","","1.018","","","","has coordinates","221588","2020-10-21","18:00:00",""
"4128504","8.4671","0.0002","11.6731","0.0003","16.0818","0.0004","90","","100.441","0.002","90","","1563.16","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 F N -","- C19 H22 F N -","- C76 H88 F4 N4 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0386","0.0344","","0.0853","0.0803","0.0853","","","","","","0.9985","","","","has coordinates","221589","2020-10-21","18:00:00",""
"4128505","13.4967","0.0007","18.0291","0.0007","15.8187","0.0006","90","","107.072","0.005","90","","3679.6","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","1.54184","CuKα","","0.0891","0.0713","","0.2031","0.1709","0.2031","","","","","","1.0105","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128506","8.8499","0.0006","17.9444","0.0008","12.0116","0.0007","90","","99.75","0.007","90","","1879.96","0.19","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C76 H108 Cl4 F4 N4 O8 -","4","2","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1485","0.0667","","0.2098","0.1461","0.158","","","","","","1.0004","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128507","13.4572","0.001","17.9878","0.0008","15.8501","0.0009","90","","107.078","0.007","90","","3667.6","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl F N O2 -","- C19 H27 Cl F N O2 -","- C152 H216 Cl8 F8 N8 O16 -","8","4","","Pupo, Gabriele; Vicini, Anna Chiara; Ascough, David M. H.; Ibba, Francesco; Christensen, Kirsten E.; Thompson, Amber L.; Brown, John M.; Paton, Robert S.; Gouverneur, Véronique","Hydrogen Bonding Phase-Transfer Catalysis with Potassium Fluoride: Enantioselective Synthesis of β-Fluoroamines.","Journal of the American Chemical Society","2019","141","7","2878","2883","10.1021/jacs.8b12568","","","0.71073","MoKα","","0.1438","0.0896","","0.2302","0.1814","0.2302","","","","","","1.0244","","","","has coordinates,has disorder","221589","2020-10-21","18:00:00",""
"4128508","12.538","0.003","18.879","0.004","19.6252","0.0019","91.044","0.001","105.987","0.003","106.771","0.002","4251.6","1.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H25 Cl4 N9 O9 -","- C44 H25 Cl4 N9 O9 -","- C176 H100 Cl16 N36 O36 -","4","2","","Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang","Cage Based Crystalline Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","9","3843","3848","10.1021/jacs.9b00665","","","0.710747","MoKα","","0.1198","0.1015","","","0.2168","0.2294","","","","","","1.144","","","","has coordinates","221590","2020-10-21","18:00:00",""
"4128509","13.9724","0.0007","29.8124","0.0009","16.4699","0.0009","90","","108.05","0.006","90","","6522.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 N12 O7 -","- C78 H62 N12 O7 -","- C312 H248 N48 O28 -","4","1","","Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang","Cage Based Crystalline Covalent Organic Frameworks.","Journal of the American Chemical Society","2019","141","9","3843","3848","10.1021/jacs.9b00665","","","0.71073","MoKα","","0.1556","0.0823","","","0.1988","0.2385","","","","","","1.007","","","","has coordinates,has disorder","221591","2020-10-21","18:00:00",""
"4128510","18.4511","0.0008","7.8907","0.0002","13.3139","0.0004","90","","108.175","0.004","90","","1841.69","0.12","294.8","0.3","294.8","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H104 O8 -","- C88 H104 O8 -","- C88 H104 O8 -","1","0.25","","Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Catalytic Cross-Coupling of Secondary Alcohols.","Journal of the American Chemical Society","2019","141","9","3822","3827","10.1021/jacs.9b00025","","x-ray","1.54184","CuKα","","0.1686","0.1433","","","0.3234","0.3537","","","","","","1.439","","","","has coordinates","221592","2020-10-21","18:00:00",""
"4128511","29.62","0.004","29.62","0.004","29.14","0.004","90","","90","","90","","25566","6","100","2","100","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C304 N12 O108 Rh24 -","- C304 N12 O108 Rh24 -","- C608 N24 O216 Rh48 -","2","0.25","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.153","0.1207","","","0.3559","0.3779","","","","","","1.406","","","","has coordinates","221593","2020-10-21","18:00:00",""
"4128512","31.08","0.005","31.08","0.005","31.25","0.005","90","","90","","90","","30186","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C272 H252 N20 O152 Rh24 -","- C272 H252 N20 O152 Rh24 -","- C544 H504 N40 O304 Rh48 -","2","0.125","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.0934","0.0901","","","0.2606","0.2704","","","","","","1.247","","","","has coordinates","221594","2020-10-21","18:00:00",""
"4128513","27.48","0.004","27.48","0.004","27.48","0.004","90","","90","","90","","20752","5","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 O121 Rh24 -","- C192 H96 O121 Rh24 -","- C384 H192 O242 Rh48 -","2","0.0208333","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.82656","synchrotron","","0.101","0.0989","","","0.3209","0.3305","","","","","","1.7","","","","has coordinates","221595","2020-10-21","18:00:00",""
"4128514","31.272","0.004","31.272","0.004","31.272","0.004","90","","90","","90","","30582","7","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C60 H60 Cu17 N60 O12 -","- C60 H60 Cu17 N60 O12 -","- C480 H480 Cu136 N480 O96 -","8","0.0833333","","Li, Jia; Jiang, Lianyan; Chen, Sheng; Kirchon, Angelo; Li, Bao; Li, Yanshuo; Zhou, Hong-Cai","Metal-Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.","Journal of the American Chemical Society","2019","141","9","3807","3811","10.1021/jacs.8b13463","","","0.71073","MoKα","","0.0735","0.0622","","","0.183","0.1953","","","","","","1.183","","","","has coordinates","221596","2020-10-21","18:00:00",""
"4128515","5.41264","0.00014","5.942","0.00014","26.9046","0.0006","90","","90","","90","","865.3","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Xing, Qi; Chan, Chun-Ming; Yeung, Yiu-Wai; Yu, Wing-Yiu","Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones.","Journal of the American Chemical Society","2019","141","9","3849","3853","10.1021/jacs.9b00535","","x-ray","1.54184","CuKα","","0.036","0.0358","","","0.0928","0.093","","","","","","1.068","","","","has coordinates","221597","2020-10-21","18:00:00",""
"4128516","8.3615","0.0002","19.6695","0.0005","21.2939","0.0005","90","","90","","90","","3502.13","0.15","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0449","0.0391","","","0.1001","0.1054","","","","","","1.051","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4128517","11.2006","0.0001","11.2006","0.0001","25.1011","0.0004","90","","90","","120","","2727.13","0.06","296","2","296.15","","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C120 H180 O24 -","6","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.05","0.0413","","","0.1221","0.133","","","","","","1.0239","","","","has coordinates","221599","2020-10-21","18:00:00",""
"4128518","7.2283","0.0002","11.3241","0.0003","10.6872","0.0003","90","","92.941","0.001","90","","873.64","0.04","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0436","0.039","","","0.1074","0.1123","","","","","","1.1397","","","","has coordinates","221600","2020-10-21","18:00:00",""
"4128519","45.589","0.005","28.5973","0.0009","54.689","0.004","90","","121.371","0.013","90","","60876","12","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C262 H220 B9 Cl F36 N31 Ni5 -","- C262 H220 B9 Cl F36 N31 Ni5 -","- C2096 H1760 B72 Cl8 F288 N248 Ni40 -","8","1","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.2019","0.1512","","","0.4219","0.4739","","","","","","1.682","","","","has coordinates,has disorder","221601","2020-10-21","18:00:00",""
"4128520","46.5552","0.0019","25.4416","0.001","54.939","0.003","90","","108.29","0.005","90","","61784","5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C260 H220 B9 Cl F36 N30 Zn5 -","- C260 H120 B7 Cl F28 N30 Zn5 -","- C2080 H960 B56 Cl8 F224 N240 Zn40 -","8","2","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.2457","0.2063","","","0.523","0.5535","","","","","","2.237","","","","has coordinates,has disorder","221602","2020-10-21","18:00:00",""
"4128521","22.1116","0.0017","28.081","0.002","28.5729","0.0017","61.443","0.007","87.521","0.006","67.458","0.007","14176","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C275 H237 B9 Cl Co5 F36 N34 -","- C275 H237 B9 Cl Co5 F36 N34 -","- C550 H474 B18 Cl2 Co10 F72 N68 -","2","1","","Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A.","Coordination Chemistry of a Molecular Pentafoil Knot.","Journal of the American Chemical Society","2019","141","9","3952","3958","10.1021/jacs.8b12548","","x-ray","0.6889","","","0.182","0.1195","","","0.3161","0.3584","","","","","","1.133","","","","has coordinates,has disorder","221603","2020-10-21","18:00:00",""
"4128522","13.857","0.003","10.761","0.003","27.29","0.006","90","","98.089","0.008","90","","4028.9","1.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H52 Au Cl F3 N P -","- C43 H52 Au Cl F3 N P -","- C172 H208 Au4 Cl4 F12 N4 P4 -","4","2","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.0718","0.0542","","","0.0861","0.0913","","","","","","1.054","","","","has coordinates","221604","2020-10-21","18:00:00",""
"4128523","12.81","0.009","10.578","0.006","14.298","0.01","90","","99.99","0.02","90","","1908","2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H55 Au Cl F3 N P -","- C43 H55 Au Cl F3 N P -","- C86 H110 Au2 Cl2 F6 N2 P2 -","2","1","","Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming","Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.","Journal of the American Chemical Society","2019","141","9","3787","3791","10.1021/jacs.8b12833","","","0.71073","MoKα","","0.1175","0.0667","","","0.1249","0.1506","","","","","","1.038","","","","has coordinates","221605","2020-10-21","18:00:00",""
"4128524","8.0135","0.0002","8.0135","0.0002","13.1776","0.0003","90","","90","","120","","732.84","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mn U3 -","- Cs2 F16 Mn U3 -","- Cs4 F32 Mn2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.012","0.012","","","0.0277","0.0277","","","","","","1.022","","","","has coordinates","221606","2020-10-21","18:00:00",""
"4128525","7.9849","0.0002","7.9849","0.0002","12.9721","0.0003","90","","90","","120","","716.28","0.03","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 U3 Zn -","- Cs2 F16 U3 Zn -","- Cs4 F32 U6 Zn2 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0112","0.0112","","","0.0251","0.0251","","","","","","1.005","","","","has coordinates","221607","2020-10-21","18:00:00",""
"4128526","7.9778","0.0005","7.9778","0.0005","12.9039","0.001","90","","90","","120","","711.24","0.08","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Ni U3 -","- Cs2 F16 Ni U3 -","- Cs4 F32 Ni2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0145","0.0145","","","0.0322","0.0322","","","","","","1.04","","","","has coordinates","221608","2020-10-21","18:00:00",""
"4128527","7.9891","0.0001","7.9891","0.0001","13.006","0.0002","90","","90","","120","","718.903","0.017","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Co Cs2 F16 U3 -","- Co Cs2 F16 U3 -","- Co2 Cs4 F32 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0116","0.0116","","","0.0261","0.0261","","","","","","1.073","","","","has coordinates","221609","2020-10-21","18:00:00",""
"4128528","7.9753","0.0002","7.9753","0.0002","12.8826","0.0003","90","","90","","120","","709.62","0.03","301","2","301","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Cs2 F16 Mg U3 -","- Cs2 F16 Mg U3 -","- Cs4 F32 Mg2 U6 -","2","0.0833333","","Klepov, Vladislav V.; Pace, Kristen A.; Calder, Stuart; Felder, Justin B.; Loye, Hans-Conrad Zur","3d-Metal Induced Magnetic Ordering on U(IV) Atoms as a Route toward U(IV) Magnetic Materials.","Journal of the American Chemical Society","2019","141","9","3838","3842","10.1021/jacs.9b00345","","","0.71073","MoKα","","0.0091","0.0091","","","0.0209","0.0209","","","","","","1","","","","has coordinates","221610","2020-10-21","18:00:00",""
"4128529","10.0758","0.0004","15.6498","0.0006","16.5383","0.0006","75.2367","0.0014","87.6486","0.0014","87.6424","0.0015","2518.34","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 Ir N -","- C30 H27 F3 Ir N -","- C120 H108 F12 Ir4 N4 -","4","2","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0253","0.0198","","","0.0486","0.0516","","","","","","1.141","","","","has coordinates,has disorder","221611","2020-10-21","18:00:00",""
"4128530","7.7219","0.0009","15.438","0.0018","16.476","0.002","90","","90","","90","","1964.1","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 N Rh -","- C24 H26 N Rh -","- C96 H104 N4 Rh4 -","4","0.5","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.122","0.0551","","","0.1169","0.1378","","","","","","1.038","","","","has coordinates,has disorder","221612","2020-10-21","18:00:00",""
"4128531","11.4269","0.001","13.8051","0.0013","15.1312","0.0014","90","","90.052","0.003","90","","2386.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N Ru -","- C30 H26 F3 N Ru -","- C120 H104 F12 N4 Ru4 -","4","1","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0557","0.0328","","","0.0637","0.0716","","","","","","1.039","","","","has coordinates","221613","2020-10-21","18:00:00",""
"4128532","10.0608","0.0004","15.6796","0.0006","16.4999","0.0006","75.5893","0.0013","87.1754","0.0014","87.4635","0.0014","2516.51","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N Rh -","- C30 H27 F3 N Rh -","- C120 H108 F12 N4 Rh4 -","4","2","","Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok","Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.","Journal of the American Chemical Society","2019","141","9","4137","4146","10.1021/jacs.9b00364","","","0.71073","MoKα","","0.0487","0.0303","","","0.0664","0.0731","","","","","","1.026","","","","has coordinates,has disorder","221614","2020-10-21","18:00:00",""
"4128533","27.7435","0.0013","4.9525","0.0002","8.2103","0.0004","90","","91.246","0.004","90","","1127.83","0.09","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- H4 Li2 N Na O8 S2 -","- H4 Li2 N Na O8 S2 -","- H24 Li12 N6 Na6 O48 S12 -","6","1.5","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.023","0.0224","","","0.0566","0.0571","","","","","","1.063","","","","has coordinates","221615","2020-10-21","18:00:00",""
"4128534","12.1271","0.0006","12.1271","0.0006","4.8365","0.0002","90","","90","","120","","615.99","0.05","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","- H8 Li9 N2 Na3 O28 S7 -","1","0.166667","","Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.","Journal of the American Chemical Society","2019","141","9","3833","3837","10.1021/jacs.9b00138","","","0.71073","MoKα","","0.0373","0.0347","","","0.0858","0.0874","","","","","","1.109","","","","has coordinates","221616","2020-10-21","18:00:00",""
"4128535","17.825","0.0003","8.2502","0.0001","20.6233","0.0004","90","","108.527","0.008","90","","2875.68","0.16","30","","30","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H44 N10 O11 -","- C17 H44 N10 O11 -","- C68 H176 N40 O44 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.","Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.","Journal of the American Chemical Society","2019","141","9","3965","3976","10.1021/jacs.8b12927","","neutron","0.85","neutron","","0.0949","0.0572","","0.0533","0.0379","0.0371","","","","","","0.9312","","","","has coordinates","221617","2020-10-21","18:00:00",""
"4128536","17.825","0.0003","8.2502","0.0001","20.6233","0.0004","90","","108.527","0.008","90","","2875.68","0.16","30","2","30","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","18-crown-6 pentakis(urea)","1,4,7,10,13,16-Hexaoxacyclo-octadecane pentakis(urea) clathrate","","- C17 H44 N10 O11 -","- C17 H44 N10 O11 -","- C68 H176 N40 O44 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.","Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis.","Journal of the American Chemical Society","2019","141","9","3965","3976","10.1021/jacs.8b12927","","synchrotron","0.24783","Synchrotron,monochromatic","","0.028","0.014","","","","0.036","0.019","","","","","0.997","","","","has coordinates","221617","2020-10-21","18:00:00",""
"4128537","39.75","0.002","8.2718","0.0004","8.2733","0.0005","90","","90","","90","","2720.3","0.3","360","2","360","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0855","0.0453","","","0.0995","0.1196","","","","","","1.025","","","","has coordinates","221618","2020-10-21","18:00:00",""
"4128538","39.342","0.008","8.2081","0.0016","8.3092","0.0017","90","","90","","90","","2683.2","0.9","293","2","293","2","","","","","","","","6","P m n b","-P 2bc 2a","62","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.5","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0669","0.0368","","","0.0762","0.0906","","","","","","1.004","","","","has coordinates","221619","2020-10-21","18:00:00",""
"4128539","17.1853","0.00023","17.1853","","20.4819","0.0004","90","","90","","90","","6049.01","0.14","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H16 Fe2 N S4 -","- C10 H16 Fe2 N S4 -","- C160 H256 Fe32 N16 S64 -","16","1","","Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S.","Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters.","Journal of the American Chemical Society","2019","141","9","3940","3951","10.1021/jacs.8b12339","powder diffraction","x-ray","0.412748","synchrotron","","","","","","","","0.04894","","2.02","","","","","","","has coordinates","221620","2020-10-21","18:00:00",""
"4128540","11.92662","0.00028","11.92662","","19.8484","0.0005","90","","90","","90","","2823.32","0.1","298","","298","","","","","","","","","5","P 42 c m","P 4c -2c","101","","","","- C22 H40 Fe2 N S4 -","- C22 H40 Fe2 N S4 -","- C88 H160 Fe8 N4 S16 -","4","0.5","","Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S.","Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters.","Journal of the American Chemical Society","2019","141","9","3940","3951","10.1021/jacs.8b12339","powder diffraction","x-ray","0.412748","synchrotron","","","","","","","","0.26224","","2.79","","","","","","","has coordinates","221621","2020-10-21","18:00:00",""
"4128541","9.093","0.002","19.7","0.005","21.859","0.005","90","","90","","90","","3915.6","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H28 Cl6 O6 -","- C45 H28 Cl6 O6 -","- C180 H112 Cl24 O24 -","4","1","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","0.71075","MoKα","","0.07","0.0597","","","0.148","0.1568","","","","","","1.04","","","","has coordinates","221622","2020-10-21","18:00:00",""
"4128542","8.2394","0.0004","28.4962","0.0012","12.2667","0.0005","90","","90.028","0.006","90","","2880.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H22 O6 -","- C42 H22 O6 -","- C168 H88 O24 -","4","2","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","1.54187","CuKα","","0.041","0.0348","","","0.0785","0.0817","","","","","","1.011","","","","has coordinates","221623","2020-10-21","18:00:00",""
"4128543","8.331","0.0014","11.358","0.0019","12.437","0.002","95.499","0.005","103.944","0.005","90.227","0.005","1136.5","0.3","206","2","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl2 O4 S -","- C24 H20 Cl2 O4 S -","- C48 H40 Cl4 O8 S2 -","2","1","","Meng, Lingkui; Wu, Peng; Fang, Jing; Xiao, Ying; Xiao, Xiong; Tu, Guangsheng; Ma, Xiang; Teng, Shuang; Zeng, Jing; Wan, Qian","Glycosylation Enabled by Successive Rhodium(II) and Brønsted Acid Catalysis.","Journal of the American Chemical Society","2019","141","30","11775","11780","10.1021/jacs.9b04619","","","1.54178","cukα","","0.1173","0.0436","","","0.1251","0.1637","","","","","","1.264","","","","has coordinates","221624","2020-10-21","18:00:00",""
"4128544","43.026","0.0004","43.026","0.0004","43.026","0.0004","90","","90","","90","","79651.3","1.3","120","2","120","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C143.99 H119.99 Cl6 N12 O40 Zr12 -","- C144 H120 Cl6 N12 O40 Zr12 -","- C1152 H960 Cl48 N96 O320 Zr96 -","8","0.0416667","","Liu, Jinjin; Duan, Wenjie; Song, Jie; Guo, Xiuxiu; Wang, Zhifang; Shi, Xinlei; Liang, Jiajie; Wang, Juan; Cheng, Peng; Chen, Yao; Zaworotko, Michael J.; Zhang, Zhenjie","Self-Healing Hyper-Cross-Linked Metal-Organic Polyhedra (HCMOPs) Membranes with Antimicrobial Activity and Highly Selective Separation Properties.","Journal of the American Chemical Society","2019","141","30","12064","12070","10.1021/jacs.9b05155","","","0.71073","MoKα","","0.1128","0.085","","","0.2644","0.281","","","","","","1.084","","","","has coordinates,has disorder","221625","2020-10-21","18:00:00",""
"4128545","10.8558","0.0004","13.0976","0.0005","19.9752","0.0007","72.7024","0.0018","89.0943","0.0018","68.2116","0.0017","2503.64","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 B2 Fe2 N8 -","- C52 H66 B2 Fe2 N8 -","- C104 H132 B4 Fe4 N16 -","2","1","","Hickey, Anne K.; Greer, Samuel M.; Valdez-Moreira, Juan A; Lutz, Sean A.; Pink, Maren; DeGayner, Jordan A.; Harris, T. David; Hill, Stephen; Telser, Joshua; Smith, Jeremy M.","A Dimeric Hydride-Bridged Complex with Geometrically Distinct Iron Centers Giving Rise to an <i>S</i> = 3 Ground State.","Journal of the American Chemical Society","2019","141","30","11970","11975","10.1021/jacs.9b04389","","","0.71073","MoKα","","0.0713","0.0412","","","0.0857","0.0942","","","","","","1.035","","","","has coordinates","221626","2020-10-21","18:00:00",""
"4128546","6.7306","0.0003","9.662","0.0005","16.8578","0.0008","95.475","0.002","98.967","0.002","106.855","0.002","1024.84","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H28 B F3 O2 -","- C21 H28 B F3.003 O2 -","- C42 H56 B2 F6.006 O4 -","2","2","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0475","0.0468","","","0.13","0.1308","","","","","","1.037","","","","has coordinates,has disorder","221627","2020-10-21","18:00:00",""
"4128547","10.458","0.002","25.05","0.005","15.77","0.003","90","0.03","107.96","0.03","90","0.03","3930","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B Cu N2 O2.5 -","- C38 H57 B Cu N2 O2.5 -","- C152 H228 B4 Cu4 N8 O10 -","4","1","","Sun, Yu; Zhou, Yuebiao; Shi, Ying; Del Pozo, Juan; Torker, Sebastian; Hoveyda, Amir H.","Copper-Hydride-Catalyzed Enantioselective Processes with Allenyl Boronates. Mechanistic Nuances, Scope, and Utility in Target-Oriented Synthesis.","Journal of the American Chemical Society","2019","141","30","12087","12099","10.1021/jacs.9b05465","","","1.54178","CuKα","","0.0517","0.0482","","","0.1424","0.1455","","","","","","1.081","","","","has coordinates,has disorder","221628","2020-10-21","18:00:00",""
"4128548","7.2268","0.0011","33.721","0.005","9.7279","0.0015","90","","96.327","0.003","90","","2356.2","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 Ni O2 S -","- C28 H25 N3 Ni O2 S -","- C112 H100 N12 Ni4 O8 S4 -","4","1","","Ravn, Anne K.; Vilstrup, Maria B. T.; Noerby, Peter; Nielsen, Dennis U.; Daasbjerg, Kim; Skrydstrup, Troels","Carbon Isotope Labeling Strategy for β-Amino Acid Derivatives via Carbonylation of Azanickellacycles.","Journal of the American Chemical Society","2019","141","30","11821","11826","10.1021/jacs.9b05934","","","0.56086","AgKα","","0.0489","0.0389","","","0.0892","0.0942","","","","","","1.091","","","","has coordinates","221629","2020-10-21","18:00:00",""
"4128549","10.6334","0.0008","10.7865","0.0008","11.1203","0.0008","84.176","0.003","83.985","0.003","71.067","0.003","1196.73","0.15","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 N3 Ni O3 S -","- C29 H25 N3 Ni O3 S -","- C58 H50 N6 Ni2 O6 S2 -","2","1","","Ravn, Anne K.; Vilstrup, Maria B. T.; Noerby, Peter; Nielsen, Dennis U.; Daasbjerg, Kim; Skrydstrup, Troels","Carbon Isotope Labeling Strategy for β-Amino Acid Derivatives via Carbonylation of Azanickellacycles.","Journal of the American Chemical Society","2019","141","30","11821","11826","10.1021/jacs.9b05934","","","0.56086","AgKα","","0.0411","0.0337","","","0.0814","0.0859","","","","","","1.086","","","","has coordinates","221629","2020-10-21","18:00:00",""
"4128550","9.6272","0.0004","9.1437","0.0004","11.9261","0.0006","90","","90","","90","","1049.83","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ba2 P6 Si3 -","- Ba2 P6 Si3 -","- Ba8 P24 Si12 -","4","1","","Mark, Justin; Wang, Jian; Wu, Kui; Lo, Jeane Gladys; Lee, Shannon; Kovnir, Kirill","Ba<sub>2</sub>Si<sub>3</sub>P<sub>6</sub>: 1D Nonlinear Optical Material with Thermal Barrier Chains.","Journal of the American Chemical Society","2019","141","30","11976","11983","10.1021/jacs.9b04653","","","0.71073","MoKα","","0.0185","0.0151","","","0.0315","0.0319","","","","","","1.109","","","","has coordinates","221630","2020-10-21","18:00:00",""
"4128551","34.623","0.014","34.623","0.014","15.731","0.004","90","","90","","120","","16331","10","110","","110","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H212 Au25 N55 S18 -","- C176.002 H144 Au25 N55 S18 -","- C528.005 H432 Au75 N165 S54 -","3","0.166667","","Gunawardene, Praveen N.; Corrigan, John F.; Workentin, Mark S.","Golden Opportunity: A Clickable Azide-Functionalized [Au<sub>25</sub>(SR)<sub>18</sub>]<sup>-</sup> Nanocluster Platform for Interfacial Surface Modifications.","Journal of the American Chemical Society","2019","141","30","11781","11785","10.1021/jacs.9b05182","","","0.71073","MoKα","","0.0859","0.0515","","","0.1266","0.1592","","","","","","1.145","","","","has coordinates,has disorder","221631","2020-10-21","18:00:00",""
"4128552","42.9147","0.0015","15.7637","0.0005","16.3301","0.0005","90","","90","","90","","11047.2","0.6","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1229","0.0715","","","0.1553","0.185","","","","","","1.024","","","","has coordinates,has disorder","221632","2020-10-21","18:00:00",""
"4128553","11.365","0.0003","13.1318","0.0003","21.8808","0.0005","90","","91.274","0.001","90","","3264.75","0.14","111","2","111.51","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 Cl O6 -","- C35 H45 Cl O6 -","- C140 H180 Cl4 O24 -","4","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.0731","0.0627","","","0.1642","0.1733","","","","","","1.032","","","","has coordinates","221633","2020-10-21","18:00:00",""
"4128554","43.026","0.002","15.8064","0.0008","16.2928","0.0008","90","","90","","90","","11080.5","0.9","170","2","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H76 Cl2 O10 -","- C59 H76 Cl2 O10 -","- C472 H608 Cl16 O80 -","8","1","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1004","0.068","","","0.1667","0.1902","","","","","","1.036","","","","has coordinates","221634","2020-10-21","18:00:00",""
"4128555","26.441","0.004","12.5644","0.0018","25.776","0.004","90","","120.301","0.008","90","","7393","2","110","2","110.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H102 Cl3 O12 -","- C78 H84 Cl3 O12 -","- C312 H336 Cl12 O48 -","4","0.5","","Zhou, Yujuan; Jie, Kecheng; Zhao, Run; Huang, Feihe","<i>Cis</i>-<i>Trans</i> Selectivity of Haloalkene Isomers in Nonporous Adaptive Pillararene Crystals.","Journal of the American Chemical Society","2019","141","30","11847","11851","10.1021/jacs.9b06188","","","1.34139","GaKα","","0.1361","0.1292","","","0.2839","0.2869","","","","","","0.982","","","","has coordinates,has disorder","221635","2020-10-21","18:00:00",""
"4128556","22.174","0.001","10.4504","0.0004","28.6661","0.0014","90","","111.129","0.005","90","","6196.1","0.5","100","0.2","100","0.2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C256 H336 N16 O48 -","16","4","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","0.71073","MoKα","","0.0963","0.0673","","","0.1246","0.1432","","","","","","1.028","","","","has coordinates,has disorder","221636","2020-10-21","18:00:00",""
"4128557","4.5734","0.00017","9.8222","0.0004","15.0672","0.0006","90","","94.519","0.004","90","","674.73","0.05","100.3","0.6","100.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","1.54184","CuKα","","0.0502","0.0478","","","0.1329","0.1358","","","","","","1.077","","","","has coordinates,has disorder","221637","2020-10-21","18:00:00",""
"4128558","5.9616","0.0005","7.0596","0.0005","9.5102","0.0006","70.172","0.006","89.251","0.006","79.122","0.007","369.19","0.05","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Br N O -","- C6 H10 Br N O -","- C12 H20 Br2 N2 O2 -","2","1","","Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav","Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","30","11864","11869","10.1021/jacs.9b06366","","x-ray","0.71073","MoKα","","0.039","0.0323","","","0.0605","0.0647","","","","","","0.993","","","","has coordinates,has disorder","221638","2020-10-21","18:00:00",""
"4128559","8.3359","0.0004","11.5375","0.0005","11.8279","0.0005","90","","90","","90","","1137.55","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N4 O4 -","- C9 H16 N4 O4 -","- C36 H64 N16 O16 -","4","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0234","0.0233","","","0.0612","0.0613","","","","","","1.073","","","","has coordinates","221639","2020-10-21","18:00:00",""
"4128560","8.38505","0.00012","36.0429","0.0005","8.62496","0.00013","90","","98.4463","0.0012","90","","2578.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N24 O18 -","- C40.001 H68.004 N24 O18.001 -","- C80.002 H136.008 N48 O36.002 -","2","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0459","0.0431","","","0.1165","0.1193","","","","","","1.025","","","","has coordinates,has disorder","221640","2020-10-21","18:00:00",""
"4128561","29.9757","0.0004","29.9757","0.0004","25.6092","0.0005","90","","90","","90","","23011","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C336 H348 Ag40 P8 S24 -","- C336 H348 Ag40 P8 S24 -","- C672 H696 Ag80 P16 S48 -","2","0.25","","Yuan, Xiting; Sun, Cunfa; Li, Xihua; Malola, Sami; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lan-Sun; Zheng, Nanfeng","Combinatorial Identification of Hydrides in a Ligated Ag<sub>40</sub> Nanocluster with Noncompact Metal Core.","Journal of the American Chemical Society","2019","141","30","11905","11911","10.1021/jacs.9b03009","","x-ray","0.71073","MoKα","","0.1729","0.1055","","","0.2655","0.3327","","","","","","1.056","","","","has coordinates","221641","2020-10-21","18:00:00",""
"4128562","9.3985","0.00009","35.4184","0.0004","11.55526","0.00011","90","","90.1733","0.0009","90","","3846.5","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H38 Au Cl F12 N P -","- C40 H38 Au Cl F12 N P -","- C160 H152 Au4 Cl4 F48 N4 P4 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0508","0.0496","","","0.142","0.1424","","","","","","1.464","","","","has coordinates","221642","2020-10-21","18:00:00",""
"4128563","13.4203","0.0006","18.534","0.0007","24.6963","0.001","90","","103.767","0.0013","90","","5966.3","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C114.5 H94 Au2 B Cl F48 N2 P2 -","- C229 H188 Au4 B2 Cl2 F96 N4 P4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0482","0.0357","","","0.0734","0.0784","","","","","","1.008","","","","has coordinates,has disorder","221643","2020-10-21","18:00:00",""
"4128564","24.0901","0.0002","12.5656","0.0001","17.3127","0.0001","90","","93.747","0.001","90","","5229.47","0.07","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C54.4 H69.4 Au Cl3.4 N O1.3 P -","- C217.6 H277.6 Au4 Cl13.6 N4 O5.2 P4 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0378","0.0334","","","0.0844","0.0859","","","","","","1.078","","","","has coordinates,has disorder","221644","2020-10-21","18:00:00",""
"4128565","11.051","0.0002","5.95087","0.00013","13.0137","0.0004","90","","96.926","0.002","90","","849.58","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.0517","0.0395","","","0.0936","0.0992","","","","","","0.979","","","","has coordinates","221645","2020-10-21","18:00:00",""
"4128566","10.6353","0.0006","13.0254","0.0007","15.5365","0.0009","107.834","0.0015","104.675","0.0016","98.9253","0.0016","1917.66","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22.25 H27 O3 -","- C22.25 H27 O3 -","- C89 H108 O12 -","4","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0667","0.0531","","","0.1447","0.1556","","","","","","1.029","","","","has coordinates,has disorder","221646","2020-10-21","18:00:00",""
"4128567","17.5452","0.0005","11.4903","0.0004","24.4692","0.0008","90","","90","","90","","4933","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H38 O6 -","- C27 H38 O6 -","- C216 H304 O48 -","8","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.05","0.0395","","","0.0961","0.1018","","","","","","1.045","","","","has coordinates,has disorder","221647","2020-10-21","18:00:00",""
"4128568","13.3067","0.0008","7.852","0.0005","17.2035","0.0011","90","","107.407","0.002","90","","1715.18","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0711","0.0492","","","0.1223","0.1355","","","","","","1.038","","","","has coordinates","221648","2020-10-21","18:00:00",""
"4128569","10.9819","0.0005","8.2059","0.0004","12.0674","0.0005","90","","102.146","0.001","90","","1063.13","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C54 H60 O4 -","2","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","1.54178","CuKα","","0.0286","0.0285","","","0.0741","0.0743","","","","","","1.048","","","","has coordinates","221649","2020-10-21","18:00:00",""
"4128570","14.6354","0.0007","14.6996","0.0005","14.9478","0.0004","108.499","0.003","118.729","0.004","96.102","0.003","2541.4","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","- C107.95 H109.9 Au2 Cl2.4 F24 N2 O0.25 P2 -","1","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1138","0.0807","","","0.1753","0.1851","","","","","","0.984","","","","has coordinates,has disorder","221650","2020-10-21","18:00:00",""
"4128571","14.4908","0.0005","14.6376","0.0005","15.2041","0.0008","66.7066","0.0015","61.5893","0.001","83.9903","0.0011","2591.4","0.19","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C54.9 H53.5 Au Cl1.3 F15 N P -","- C109.8 H107 Au2 Cl2.6 F30 N2 P2 -","2","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.032","0.0263","","","0.0553","0.0573","","","","","","1.003","","","","has coordinates,has disorder","221651","2020-10-21","18:00:00",""
"4128572","9.2294","0.0004","9.5235","0.0004","9.8268","0.0005","76.3219","0.0014","66.9921","0.0014","89.3666","0.0015","769.28","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","- C36 H42 Fe O6 -","1","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.0278","0.027","","","0.0636","0.0641","","","","","","1.032","","","","has coordinates","221652","2020-10-21","18:00:00",""
"4128573","19.752","0.0007","10.2926","0.0003","46.4258","0.0015","90","","94.082","0.003","90","","9414.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Au Cl F12 N P -","- C52 H50 Au Cl F12 N P -","- C416 H400 Au8 Cl8 F96 N8 P8 -","8","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1145","0.0742","","","0.2083","0.2189","","","","","","1.304","","","","has coordinates,has disorder","221653","2020-10-21","18:00:00",""
"4128574","52.893","0.011","8.1609","0.0016","38.856","0.008","90","","132.39","0.03","90","","12388","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 As8 F48 N20 O2 Pd4 -","- C92 H76 As7.998 F48 N20 O2 Pd4 -","- C368 H304 As31.992 F192 N80 O8 Pd16 -","4","0.5","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1015","0.0772","","","0.1976","0.2137","","","","","","0.956","","","","has coordinates,has disorder","221654","2020-10-21","18:00:00",""
"4128575","21.9773","0.0008","22.3335","0.0005","34.7471","0.0009","107.703","0.002","91.695","0.003","116.031","0.002","14331.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C243 H178.25 B F70 N35.25 O19 Pd6 Sb11 -","- C243 H166.5 B F64.9 N35.25 O19 Pd6 Sb10.15 -","- C486 H333 B2 F129.8 N70.5 O38 Pd12 Sb20.3 -","2","1","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1273","0.0899","","","0.2895","0.3145","","","","","","1.054","","","","has coordinates,has disorder","221655","2020-10-21","18:00:00",""
"4128576","21.948","0.004","30.273","0.006","31.103","0.006","90","","90","","90","","20666","7","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C138 H102 As6 Cl6 F36 N22 Pd6 -","- C552 H408 As24 Cl24 F144 N88 Pd24 -","4","0.25","","Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.","Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.","Journal of the American Chemical Society","2019","141","30","12147","12158","10.1021/jacs.9b06182","","","0.6889","Synchrotron","","0.1534","0.1278","","","0.3265","0.3485","","","","","","1.074","","","","has coordinates,has disorder","221656","2020-10-21","18:00:00",""
"4128577","11.2263","0.0016","11.4866","0.0016","12.2107","0.0018","68.513","0.003","67.287","0.003","70.345","0.003","1316.2","0.3","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cl8 Fe3 O6 -","- C48 H48 Cl8 Fe3 O6 -","- C48 H48 Cl8 Fe3 O6 -","1","0.5","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.1176","0.077","","","0.2169","0.2445","","","","","","1.045","","","","has coordinates","221657","2020-10-21","18:00:00",""
"4128578","10.4909","0.0004","11.3351","0.0004","13.476","0.0005","93.2595","0.0009","92.3269","0.0008","94.7368","0.0008","1592.79","0.1","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cl6 Fe2 O4 -","- C28 H24 Cl6 Fe2 O4 -","- C56 H48 Cl12 Fe4 O8 -","2","1","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.0512","0.0321","","","0.0694","0.0759","","","","","","1.013","","","","has coordinates","221658","2020-10-21","18:00:00",""
"4128579","9.176","0.0003","18.7713","0.0007","10.2557","0.0004","90","","91.1083","0.0008","90","","1766.17","0.11","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl8 Fe3 O6 -","- C18 H36 Cl8 Fe3 O6 -","- C36 H72 Cl16 Fe6 O12 -","2","0.5","","Hanson, Carly S.; Psaltakis, Mary C.; Cortes, Janiel J.; Devery, 3rd, James J","Catalyst Behavior in Metal-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2019","141","30","11870","11880","10.1021/jacs.9b02613","","","0.71073","MoKα","","0.0415","0.0295","","","0.0713","0.0766","","","","","","1.03","","","","has coordinates,has disorder","221659","2020-10-21","18:00:00",""
"4128580","39.887","0.003","39.887","0.003","39.887","0.003","90","","90","","90","","63459","8","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C252 H242 Co24 N12 O109 -","- C252 H216 Co24 N12 O109 -","- C1008 H864 Co96 N48 O436 -","4","0.0208333","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.71073","MoKα","","0.0863","0.0578","","","0.1634","0.1821","","","","","","0.993","","","","has coordinates,has disorder","221660","2020-10-21","18:00:00",""
"4128581","29.526","0.0009","29.7496","0.001","42.4158","0.0014","90","","90.473","0.002","90","","37256","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C324 H360 Mo24 N12 O102 -","- C324 H360 Mo24 N12 O102 -","- C648 H720 Mo48 N24 O204 -","2","0.5","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","1.54178","CuKα","","0.098","0.0806","","","0.2218","0.2394","","","","","","1.038","","","","has coordinates","221661","2020-10-21","18:00:00",""
"4128582","40.3","0.004","40.3","0.004","40.3","0.004","90","","90","","90","","65451","11","9.2","0.2","9.2","0.2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe Metal Organic Framework","- C71.24 H45.4 D10.4 Fe4 N3.3 O23.22 -","- C59.232 H45.0072 D10.7856 Fe4 N3.30667 O23.224 -","- C1421.57 H1080.17 D258.854 Fe96 N79.36 O557.376 -","24","0.125","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.032","","","","","","","has coordinates","221662","2020-10-21","18:00:00",""
"4128583","40.237","0.006","40.237","0.006","40.237","0.006","90","","90","","90","","65144","17","6.54","0.08","6.54","0.08","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe-Me-dabco MOF w/ CD4","- C39.13 H22.5 D19.49 Fe2 N1.65 O11.61 -","- C39.1313 H22.5036 D19.4861 Fe2 N1.65333 O11.612 -","- C1878.3 H1080.17 D935.334 Fe96 N79.36 O557.376 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.055","","","","","","","has coordinates","221663","2020-10-21","18:00:00",""
"4128584","39.85","0.002","39.85","0.002","39.85","0.002","90","","90","","90","","63283","6","13.085","0.004","13.085","0.004","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco MOF w/ CD4","- C32.76 H17.52 Co2 D22.9 N1.38 O11.4 -","- C32.7553 H17.5244 Co2 D22.9027 N1.37933 O11.404 -","- C1572.26 H841.171 Co96 D1099.33 N66.208 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.185","","","","","","","has coordinates","221664","2020-10-21","18:00:00",""
"4128585","39.86","0.003","39.86","0.003","39.86","0.003","90","","90","","90","","63330","8","13.1","0.02","13.1","0.02","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco MOF w/ CD4","- C30.07 H17.52 Co2 D12.18 N1.38 O11.4 -","- C30.0722 H17.5244 Co2 D12.1827 N1.37933 O11.404 -","- C1443.47 H841.171 Co96 D584.768 N66.208 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.061","","","","","","","has coordinates","221665","2020-10-21","18:00:00",""
"4128586","40.233","0.006","40.233","0.006","40.233","0.006","90","","90","","90","","65125","17","6.46","0.05","6.46","0.05","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe-Me-dabco MOF w/ CD4","- C36.89 H22.5 D10.52 Fe2 N1.65 O11.61 -","- C36.89 H22.5036 D10.5155 Fe2 N1.65333 O11.612 -","- C1770.72 H1080.17 D504.742 Fe96 N79.36 O557.376 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.053","","","","","","","has coordinates","221666","2020-10-21","18:00:00",""
"4128587","39.857","0.002","39.857","0.002","39.857","0.002","90","","90","","90","","63316","6","13.14","0.04","13.14","0.04","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Co-Me-dabco","- C28.19 H19.74 Co2 D9.07 N1.38 O10.65 -","- C28.944 H17.5244 Co2 D7.6692 N1.38 O11.404 -","- C1389.31 H841.171 Co96 D368.122 N66.24 O547.392 -","48","0.25","","Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D.","Understanding Gas Storage in Cuboctahedral Porous Coordination Cages.","Journal of the American Chemical Society","2019","141","30","12128","12138","10.1021/jacs.9b05872","","","0.2775","neutron","","","","","","","","","","1.036","","","","","","","has coordinates","221667","2020-10-21","18:00:00",""
"4128588","10.8286","0.0008","11.9086","0.0009","12.5098","0.0009","81.132","0.002","76.324","0.002","66.007","0.002","1428.95","0.18","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H45 N3 -","- C35 H45 N3 -","- C70 H90 N6 -","2","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","0.71073","MoKα","","0.0591","0.0406","","","0.0898","0.1007","","","","","","1.03","","","","has coordinates","221668","2020-10-21","18:00:00",""
"4128589","23.3219","0.0003","9.3633","0.0002","17.7798","0.0004","90","","122.646","0.001","90","","3269.2","0.12","100","","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C39 H45 N3 -","- C39 H45 N3 -","- C156 H180 N12 -","4","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0304","0.0298","","","0.0749","0.0755","","","","","","1.055","","","","has coordinates","221669","2020-10-21","18:00:00",""
"4128590","9.3881","0.0004","9.6798","0.0005","15.74","0.0012","104.169","0.005","90.296","0.005","98.022","0.005","1372.13","0.14","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 N2 -","- C34 H44 N2 -","- C68 H88 N4 -","2","1","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.0552","0.048","","","0.1261","0.1324","","","","","","1.045","","","","has coordinates","221670","2020-10-21","18:00:00",""
"4128591","16.6802","0.0007","22.0707","0.0009","29.4908","0.0011","106.262","0.002","94.104","0.002","100.781","0.002","10149.7","0.7","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H46 N4 -","- C40 H46 N4 -","- C480 H552 N48 -","12","6","","Kieser, Jerod M.; Kinney, Zacharias J.; Gaffen, Joshua R.; Evariste, Sloane; Harrison, Alexandra M.; Rheingold, Arnold L.; Protasiewicz, John D.","Three Ways Isolable Carbenes Can Modulate Emission of NH-Containing Fluorophores.","Journal of the American Chemical Society","2019","141","30","12055","12063","10.1021/jacs.9b04864","","x-ray","1.54178","CuKα","","0.1651","0.0984","","","0.2505","0.3106","","","","","","1.051","","","","has coordinates,has disorder","221671","2020-10-21","18:00:00",""
"4128592","11.17","0.0007","12.9671","0.0009","15.7532","0.001","95.063","0.005","97.091","0.005","91.364","0.005","2254.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","5,14-Bis(4-(tert-butyl)phenyl)dibenzo[a,m]rubicene-9,18-dicarbaldehyde","","- C57 H44 Cl2 O2 -","- C57 H44 Cl2 O2 -","- C114 H88 Cl4 O4 -","2","1","","Liu, Junzhi; Mishra, Shantanu; Pignedoli, Carlo A.; Passerone, Daniele; Urgel, José I; Fabrizio, Alberto; Lohr, Thorsten G.; Ma, Ji; Komber, Hartmut; Baumgarten, Martin; Corminboeuf, Clémence; Berger, Reinhard; Ruffieux, Pascal; Müllen, Klaus; Fasel, Roman; Feng, Xinliang","Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings.","Journal of the American Chemical Society","2019","141","30","12011","12020","10.1021/jacs.9b04718","","","1.54178","CuKα","","0.1232","0.0669","","","0.1714","0.2023","","","","","","0.943","","","","has coordinates,has disorder","221672","2020-10-21","18:00:00",""
"4128593","12.0369","0.0006","15.4579","0.0007","22.539","0.0011","85.802","0.002","74.887","0.002","82.736","0.002","4012.6","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H180 F12 N4 O16 P8 Pt4 S4 -","- C132.001 H180 F12.0018 N4 O16.0018 P8 Pt4 S4.0006 -","- C132.001 H180 F12.0018 N4 O16.0018 P8 Pt4 S4.0006 -","1","0.5","","Shi, Bingbing; Zhou, Zhixuan; Vanderlinden, Ryan T.; Tang, Jian-Hong; Yu, Guocan; Acharyya, Koushik; Sepehrpour, Hajar; Stang, Peter J.","Spontaneous Supramolecular Polymerization Driven by Discrete Platinum Metallacycle-Based Host-Guest Complexation.","Journal of the American Chemical Society","2019","141","30","11837","11841","10.1021/jacs.9b06181","","","0.71073","MoKα","","0.0507","0.0363","","","0.0873","0.0975","","","","","","1.023","","","","has coordinates,has disorder","221673","2020-10-21","18:00:00",""
"4128594","8.1884","0.0006","8.7282","0.0006","11.6015","0.0008","90","","97.533","0.003","90","","822","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C32 H36 Cl2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0368","0.0324","","","0.0821","0.0854","","","","","","1.033","","","","has coordinates","221674","2020-10-21","18:00:00",""
"4128595","10.802","0.0006","13.4468","0.0008","12.4893","0.0008","90","","111.444","0.003","90","","1688.52","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0563","0.0548","","","0.1364","0.1375","","","","","","1.047","","","","has coordinates","221675","2020-10-21","18:00:00",""
"4128596","10.449","0.0004","19.9438","0.001","23.4389","0.0012","90","","90","","90","","4884.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C192 H216 N24 O84 -","12","3","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0279","0.0256","","","0.0652","0.0663","","","","","","1.029","","","","has coordinates","221676","2020-10-21","18:00:00",""
"4128597","7.9095","0.0003","12.5033","0.0005","16.0063","0.0006","90","","90","","90","","1582.94","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C64 H72 Cl4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0434","0.0329","","","0.0729","0.0768","","","","","","1.015","","","","has coordinates","221677","2020-10-21","18:00:00",""
"4128598","8.4176","0.0004","16.5025","0.0009","25.2215","0.0014","90","","90","","90","","3503.6","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0509","0.0454","","","0.106","0.109","","","","","","1.038","","","","has coordinates,has disorder","221678","2020-10-21","18:00:00",""
"4128599","7.7728","0.0004","10.0844","0.0004","19.1537","0.0009","90","","90","","90","","1501.34","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0259","0.0242","","","0.0633","0.0642","","","","","","1.028","","","","has coordinates","221679","2020-10-21","18:00:00",""
"4128600","7.9491","0.0005","12.798","0.0008","15.8009","0.0011","90","","90","","90","","1607.47","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.027","0.02","","","0.0487","0.0503","","","","","","1.026","","","","has coordinates","221681","2020-10-21","18:00:00",""
"4128601","7.8665","0.0005","20.7338","0.0014","10.0786","0.0006","90","","90.438","0.005","90","","1643.8","0.18","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0754","0.0479","","","0.1012","0.1111","","","","","","1.033","","","","has coordinates","221682","2020-10-21","18:00:00",""
"4128602","10.2919","0.0006","5.9783","0.0003","11.3506","0.0006","90","","98.101","0.004","90","","691.41","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C28 H34 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0277","0.0261","","","0.0657","0.0666","","","","","","1.042","","","","has coordinates","221683","2020-10-21","18:00:00",""
"4128603","12.9997","0.0008","7.5607","0.0005","17.0068","0.0011","90","","111.408","0.002","90","","1556.22","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0287","0.0281","","","0.0742","0.0747","","","","","","1.029","","","","has coordinates","221684","2020-10-21","18:00:00",""
"4128604","8.0024","0.0004","8.9423","0.0004","11.7925","0.0006","90","","99.172","0.002","90","","833.08","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C32 H36 Br2 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0319","0.0238","","","0.052","0.0538","","","","","","1.024","","","","has coordinates","221685","2020-10-21","18:00:00",""
"4128605","8.0194","0.0004","12.4357","0.0007","16.2639","0.0009","90","","90","","90","","1621.95","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0247","0.0243","","","0.0642","0.0646","","","","","","1.038","","","","has coordinates,has disorder","221686","2020-10-21","18:00:00",""
"4128606","10.1253","0.0004","16.2847","0.0007","34.7577","0.0014","90","","90","","90","","5731.1","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H73 Cu F3 N2 O10 S -","- C59 H73 Cu F3 N2 O10 S -","- C236 H292 Cu4 F12 N8 O40 S4 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0887","0.0537","","","0.1069","0.1157","","","","","","1.039","","","","has coordinates,has disorder","221687","2020-10-21","18:00:00",""
"4128607","21.5588","0.001","9.6915","0.0004","18.4478","0.0007","90","","111.05","0.002","90","","3597.2","0.3","135","2","135","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H20 Cl N O5 -","- C17 H20 Cl N O5 -","- C136 H160 Cl8 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0706","0.0409","","","0.07","0.076","","","","","","1.026","","","","has coordinates,has disorder","221688","2020-10-21","18:00:00",""
"4128608","9.4138","0.0003","9.5283","0.0003","18.5945","0.0005","90","","90","","90","","1667.88","0.09","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0278","0.0263","","","0.0668","0.0679","","","","","","1.035","","","","has coordinates","221689","2020-10-21","18:00:00",""
"4128609","8.3697","0.0004","8.4872","0.0005","10.8138","0.0006","90","","93.883","0.002","90","","766.4","0.07","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0258","0.0253","","","0.0675","0.0681","","","","","","1.004","","","","has coordinates","221690","2020-10-21","18:00:00",""
"4128610","20.525","0.003","20.525","0.003","18.668","0.003","90","","90","","120","","6810.7","1.8","273","2","273","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C102 H90 Br6 F6 N1.5 Np18 O78 -","- C51 Br2.4 F3 Np9 O39 -","- C102 Br4.8 F6 Np18 O78 -","2","0.166667","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0926","0.0657","","","0.1739","0.198","","","","","","1.033","","","","has coordinates,has disorder","221691","2020-10-21","18:00:00",""
"4128611","20.835","0.013","20.835","0.013","18.453","0.012","90","","90","","120","","6937","8","273","2","273","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C102 H90 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","- C102 H54 F6 Np18 O78 -","1","0.0833333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0814","0.0686","","","0.1932","0.21","","","","","","0.944","","","","has coordinates","221692","2020-10-21","18:00:00",""
"4128612","20.719","0.006","20.719","0.006","18.477","0.005","90","","90","","120","","6869","3","273","2","273","2","","","","","","","","6","P 6/m","-P 6","175","","","","- C1.34 H1.18 F0.08 N0.04 Np0.24 O1.05 -","- C1.34211 H0.671053 F0.0789474 N0.0394737 Np0.236842 O1.10526 -","- C102 H51 F6 N3 Np18 O84 -","76","6.33333","","Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C.","In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","30","11842","11846","10.1021/jacs.9b06187","","","0.71073","MoKα","","0.0771","0.0738","","","0.2025","0.2057","","","","","","1.118","","","","has coordinates,has disorder","221693","2020-10-21","18:00:00",""
"4128613","10.7997","0.0004","18.2694","0.0006","16.827","0.0006","90","","90","","90","","3320","0.2","285","2","285.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C10 H28 Cl14 N4 Pb5 -","- C10 H28 Cl14 N4 Pb5 -","- C40 H112 Cl56 N16 Pb20 -","4","0.5","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0623","0.0451","","","0.0961","0.1039","","","","","","1.092","","","","has coordinates","221694","2020-10-21","18:00:00",""
"4128614","10.3435","0.0003","16.9247","0.0006","18.366","0.0007","90","","90","","90","","3215.16","0.19","200","2","200.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl14 Mn N4 Pb4 -","- C10 H28 Cl14 Mn N4 Pb4 -","- C40 H112 Cl56 Mn4 N16 Pb16 -","4","1","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0576","0.0475","","","0.1145","0.1255","","","","","","1.014","","","","has coordinates","221695","2020-10-21","18:00:00",""
"4128615","12.1239","0.0008","13.1282","0.0009","14.4151","0.001","87.304","0.0009","75.4289","0.0009","76.0963","0.0009","2155.3","0.3","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C96 H132 O18 -","6","3","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0882","0.0622","","","0.1582","0.1758","","","","","","1.023","","","","has coordinates,has disorder","221696","2020-10-21","18:00:00",""
"4128616","11.3869","0.0006","11.0755","0.0006","16.4649","0.0009","90","","106.017","0.0007","90","","1995.87","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0433","0.0362","","","0.0946","0.1004","","","","","","1.032","","","","has coordinates","221697","2020-10-21","18:00:00",""
"4128617","6.1836","0.0004","31.5163","0.0019","15.3756","0.0009","90","","97.1381","0.0008","90","","2973.2","0.3","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cl2 O4 -","- C27 H46 Cl2 O4 -","- C108 H184 Cl8 O16 -","4","1","","Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V.","A Radical-Polar Crossover Annulation To Access Terpenoid Motifs.","Journal of the American Chemical Society","2019","141","31","12246","12250","10.1021/jacs.9b07346","","","0.71073","MoKα","","0.0828","0.0621","","","0.1346","0.1438","","","","","","1.062","","","","has coordinates","221698","2020-10-21","18:00:00",""
"4128618","30.2467","0.0004","30.2467","0.0004","40.3458","0.0009","90","","90","","90","","36910.9","1.1","100.01","0.1","100.01","0.1","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","neiti17","","","- C108 H104 Br0.55 Cl1.45 Fe2 Mg N8 O4 P4 -","- C108 H104 Br0.554 Cl1.446 Fe2 Mg N8 O4 P4 -","- C864 H832 Br4.432 Cl11.568 Fe16 Mg8 N64 O32 P32 -","8","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0925","0.0587","","","0.15","0.1745","","","","","","1.033","","","","has coordinates,has disorder","221699","2020-10-21","18:00:00",""
"4128619","18.1339","0.0018","10.2597","0.001","25.508","0.003","90","","103.062","0.002","90","","4622.9","0.8","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","neitw13","","","- C60 H52 Fe P2 -","- C60 H52 Fe P2 -","- C240 H208 Fe4 P8 -","4","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","","0.71073","MoKα","","0.1126","0.0527","","","0.1063","0.1296","","","","","","1.011","","","","has coordinates","221700","2020-10-21","18:00:00",""
"4128620","20.9654","0.0003","22.0142","0.0003","24.361","0.0002","105.257","0.001","98.223","0.001","116.486","0.001","9256.8","0.2","99.9","0.5","99.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C146 H182 Br2.81 Cl1.19 Fe2 Mg3 N8 O13 P4 -","- C146 H182 Br2.806 Cl1.194 Fe2 Mg3 N8 O13 P4 -","- C292 H364 Br5.612 Cl2.388 Fe4 Mg6 N16 O26 P8 -","2","1","","Boddie, Theresa E.; Carpenter, Stephanie H.; Baker, Tessa M.; DeMuth, Joshua C.; Cera, Gianpiero; Brennessel, William W.; Ackermann, Lutz; Neidig, Michael L.","Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C-H Activation.","Journal of the American Chemical Society","2019","141","31","12338","12345","10.1021/jacs.9b05269","","x-ray","1.54184","CuKα","","0.0744","0.0601","","","0.1702","0.1797","","","","","","1.106","","","","has coordinates,has disorder","221701","2020-10-21","18:00:00",""
"4128621","10.7125","0.0001","7.9053","0.0001","15.482","0.0001","90","","98.775","0.001","90","","1295.75","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0334","0.032","","","0.0847","0.0858","","","","","","1.076","","","","has coordinates","221702","2020-10-21","18:00:00",""
"4128622","6.9593","0.0001","7.4662","0.0001","24.7555","0.0002","90","","90","","90","","1286.28","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0254","0.0249","","","0.0658","0.0661","","","","","","1.079","","","","has coordinates","221703","2020-10-21","18:00:00",""
"4128623","17.9521","0.0002","17.9521","0.0002","12.3975","0.0003","90","","90","","90","","3995.44","0.12","100","0.1","100","0.1","","","","","","","","5","P 41","P 4w","76","","2-bromo-3-(naphthalen-2-yl)pent-4-en-1-yl (4-bromophenyl)carbamate","","- C22 H19 Br2 N O2 -","- C22 H19 Br2 N O2 -","- C176 H152 Br16 N8 O16 -","8","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0646","0.0569","","","0.1482","0.1535","","","","","","1.072","","","","has coordinates","221704","2020-10-21","18:00:00",""
"4128624","5.55961","0.00005","8.2257","0.00005","13.5491","0.00008","90","","91.2759","0.0007","90","","619.47","0.008","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C30 H28 N8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0711","0.0717","","","","","","1.052","","","","has coordinates","221705","2020-10-21","18:00:00",""
"4128625","7.8468","0.0014","8.0192","0.0014","13.739","0.002","90","","95.361","0.004","90","","860.7","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N2 O4 -","- C18 H17 Cl N2 O4 -","- C36 H34 Cl2 N4 O8 -","2","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","0.71073","MoKα","","0.064","0.0388","","","0.0739","0.0816","","","","","","0.959","","","","has coordinates,has disorder","221706","2020-10-21","18:00:00",""
"4128626","6.2187","0.0002","7.2638","0.0002","27.5254","0.0007","90","","90","","90","","1243.36","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0729","0.0667","","","0.201","0.2104","","","","","","1.09","","","","has coordinates,has disorder","221707","2020-10-21","18:00:00",""
"4128627","5.8128","0.0004","8.5698","0.0006","13.4075","0.0011","83.978","0.006","88.299","0.007","88.26","0.006","663.66","0.09","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C15 H14 Cl2 O -","- C15 H14 Cl2 O -","- C30 H28 Cl4 O2 -","2","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0802","0.0712","","","0.1782","0.1845","","","","","","1.042","","","","has coordinates","221708","2020-10-21","18:00:00",""
"4128628","31.3149","0.0011","5.1903","0.0002","22.4457","0.0008","90","","129.034","0.002","90","","2833.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 B Cl2 N2 O -","- C13 H15 B Cl2 N2 O -","- C104 H120 B8 Cl16 N16 O8 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Facile Synthesis of α-N-Heterocyclic Carbene-Boryl Ketones from N-Heterocyclic Carbene-Boranes and Alkenyl Triflates.","Journal of the American Chemical Society","2019","141","31","12355","12361","10.1021/jacs.9b05547","","","1.54178","CuKα","","0.036","0.0326","","","0.1046","0.1083","","","","","","1.303","","","","has coordinates","221709","2020-10-21","18:00:00",""
"4128629","15.5286","0.0015","15.6454","0.0013","18.0654","0.0016","90","","90","","90","","4389","0.7","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0923","0.0516","","","0.1227","0.1626","","","","","","1.094","","","","has coordinates,has disorder","221710","2020-10-21","18:00:00",""
"4128630","15.5088","0.0009","15.5888","0.0007","18.0871","0.0009","90","","90","","90","","4372.8","0.4","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0708","0.0446","","","0.1232","0.1499","","","","","","1.133","","","","has coordinates,has disorder","221711","2020-10-21","18:00:00",""
"4128631","15.487","0.003","15.52","0.002","18.108","0.003","90","","90","","90","","4352.4","1.2","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0482","0.0307","","","0.08","0.0922","","","","","","1.061","","","","has coordinates,has disorder","221712","2020-10-21","18:00:00",""
"4128632","15.2978","0.0007","15.4168","0.0008","18.1951","0.0008","90","","90","","90","","4291.2","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0363","0.0261","","","0.0714","0.078","","","","","","1.079","","","","has coordinates,has disorder","221713","2020-10-21","18:00:00",""
"4128633","15.2069","0.0007","15.3558","0.0007","18.1389","0.0007","90","","90","","90","","4235.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0563","0.0391","","","0.0969","0.1112","","","","","","1.109","","","","has coordinates,has disorder","221714","2020-10-21","18:00:00",""
"4128634","15.342","0.004","15.808","0.003","18.03","0.003","90","","90","","90","","4372.7","1.6","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0747","0.0432","","","0.1136","0.138","","","","","","1.046","","","","has coordinates,has disorder","221715","2020-10-21","18:00:00",""
"4128635","15.5146","0.0011","15.7585","0.001","18.0597","0.0011","90","","90","","90","","4415.4","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.075","0.0466","","","0.1388","0.174","","","","","","1.098","","","","has coordinates,has disorder","221716","2020-10-21","18:00:00",""
"4128636","23.4856","0.0011","23.4856","0.0011","12.4606","0.0006","90","","90","","90","","6872.9","0.6","300","2","300","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0698","0.0425","","","0.1102","0.1347","","","","","","1.046","","","","has coordinates","221717","2020-10-21","18:00:00",""
"4128637","15.4766","0.0013","15.6759","0.0012","18.0353","0.0015","90","","90","","90","","4375.5","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0641","0.0436","","","0.119","0.1419","","","","","","1.093","","","","has coordinates,has disorder","221718","2020-10-21","18:00:00",""
"4128638","15.3978","0.0004","15.3546","0.0005","18.1591","0.0005","90","","90","","90","","4293.3","0.2","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.48 H5.98 N4 Zn -","- C6.48 H5.98 N4 Zn -","- C103.68 H95.68 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0523","0.0457","","","0.1197","0.125","","","","","","1.112","","","","has coordinates,has disorder","221719","2020-10-21","18:00:00",""
"4128639","23.549","0.005","23.549","0.005","12.446","0.002","90","","90","","90","","6902","2","400","2","400","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0903","0.0411","","","0.1071","0.1359","","","","","","0.961","","","","has coordinates","221720","2020-10-21","18:00:00",""
"4128640","23.4363","0.0006","23.4363","0.0006","12.4615","0.0003","90","","90","","90","","6844.6","0.3","200","2","200","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0579","0.0396","","","0.102","0.1192","","","","","","1.028","","","","has coordinates","221721","2020-10-21","18:00:00",""
"4128641","15.4409","0.0006","15.0978","0.0008","18.2903","0.0009","90","","90","","90","","4263.9","0.4","100","0.4","100","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.62 H9.12 N4.5 O0.5 Zn -","- C7.62 H9.12 N4.5 O0.5 Zn -","- C121.92 H145.92 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0603","0.0393","","","0.0919","0.1091","","","","","","1.119","","","","has coordinates,has disorder","221722","2020-10-21","18:00:00",""
"4128642","15.1566","0.0012","15.6776","0.0007","18.2216","0.0015","90","","90","","90","","4329.8","0.5","100.1","0.5","100.1","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.9 H9.7 Co N4.5 O0.5 -","- C7.9 H9.7 Co N4.5 O0.5 -","- C126.4 H155.2 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.1087","0.0687","","","0.1647","0.1919","","","","","","1.112","","","","has coordinates,has disorder","221723","2020-10-21","18:00:00",""
"4128643","15.403","0.0006","15.504","0.0006","18.1233","0.0007","90","","90","","90","","4328","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0492","0.0323","","","0.0823","0.0945","","","","","","1.098","","","","has coordinates,has disorder","221724","2020-10-21","18:00:00",""
"4128644","15.0835","0.0007","15.2881","0.0007","18.2031","0.0008","90","","90","","90","","4197.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0357","0.0276","","","0.0654","0.0706","","","","","","1.043","","","","has coordinates,has disorder","221725","2020-10-21","18:00:00",""
"4128645","15.4686","0.0007","15.1468","0.0012","18.2938","0.001","90","","90","","90","","4286.2","0.5","99.9","0.3","99.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.78 H9.28 N4.5 O0.5 Zn -","- C7.78 H9.28 N4.5 O0.5 Zn -","- C124.48 H148.48 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0697","0.0434","","","0.1026","0.119","","","","","","1.049","","","","has coordinates,has disorder","221726","2020-10-21","18:00:00",""
"4128646","15.4872","0.0007","15.0774","0.0011","18.3105","0.0008","90","","90","","90","","4275.6","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.7 H9.2 N4.5 O0.5 Zn -","- C7.7 H9.2 N4.5 O0.5 Zn -","- C123.2 H147.2 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0591","0.0374","","","0.0888","0.1015","","","","","","1.053","","","","has coordinates,has disorder","221727","2020-10-21","18:00:00",""
"4128647","15.4061","0.0008","15.281","0.0011","18.2918","0.0014","90","","90","","90","","4306.3","0.5","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.58 H9.54 N4.5 O0.62 Zn -","- C7.58 H9.54 N4.5 O0.625 Zn -","- C121.28 H152.64 N72 O10 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0655","0.0419","","","0.0997","0.1149","","","","","","1.042","","","","has coordinates,has disorder","221728","2020-10-21","18:00:00",""
"4128648","15.4399","0.0004","15.4843","0.0006","18.1529","0.0006","90","","90","","90","","4339.9","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.68 H6.18 N4 Zn -","- C6.68 H6.18 N4 Zn -","- C106.88 H98.88 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0628","0.0516","","","0.1286","0.1346","","","","","","1.109","","","","has coordinates,has disorder","221729","2020-10-21","18:00:00",""
"4128649","15.282","0.002","15.664","0.002","18.179","0.002","90","","90","","90","","4351.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.73 H8.79 Co N4.35 O0.35 -","- C7.73 H8.79 Co N4.35 O0.35 -","- C123.68 H140.64 Co16 N69.6 O5.6 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0552","0.0494","","","0.1463","0.1541","","","","","","1.102","","","","has coordinates,has disorder","221730","2020-10-21","18:00:00",""
"4128650","15.386","0.0007","15.6096","0.0007","18.0571","0.0007","90","","90","","90","","4336.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0602","0.0432","","","0.1155","0.1321","","","","","","1.159","","","","has coordinates,has disorder","221731","2020-10-21","18:00:00",""
"4128651","15.4724","0.0007","15.5973","0.0011","18.1477","0.0008","90","","90","","90","","4379.5","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.96 H6.46 N4 Zn -","- C6.96 H6.46 N4 Zn -","- C111.36 H103.36 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0671","0.0519","","","0.1301","0.1379","","","","","","1.07","","","","has coordinates,has disorder","221732","2020-10-21","18:00:00",""
"4128652","15.591","0.005","15.606","0.004","18.103","0.005","90","","90","","90","","4405","2","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.071","0.0372","","","0.0993","0.1238","","","","","","1.042","","","","has coordinates,has disorder","221733","2020-10-21","18:00:00",""
"4128653","23.3963","0.0006","23.3963","0.0006","12.4649","0.0003","90","","90","","90","","6823.1","0.3","100","2","100","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0225","0.0204","","","0.0533","0.0577","","","","","","1.123","","","","has coordinates","221734","2020-10-21","18:00:00",""
"4128654","11.3638","0.0012","12.3409","0.0013","15.7074","0.0017","70.623","0.001","88.773","0.001","86.769","0.001","2074.7","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Cl2 N5 O3 S2 -","- C42 H47 Cl2 N5 O3 S2 -","- C84 H94 Cl4 N10 O6 S4 -","2","1","","Satoh, Yoshiyuki; Catti, Lorenzo; Akita, Munetaka; Yoshizawa, Michito","A Redox-Active Heterocyclic Capsule: Radical Generation, Oxygenation, and Guest Uptake/Release.","Journal of the American Chemical Society","2019","141","31","12268","12273","10.1021/jacs.9b03419","","","0.71073","MoKα","","0.0409","0.0367","","","0.102","0.1053","","","","","","0.999","","","","has coordinates","221735","2020-10-21","18:00:00",""
"4128655","21.6317","0.001","12.2815","0.0005","21.6273","0.001","90","","119.975","0.002","90","","4977.2","0.4","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C88.5 H45.2 O36 Zr6 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","- C88.544 H45.184 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.1602","0.1328","","","0.3947","0.4298","","","","","","1.748","","","","has coordinates,has disorder","221736","2020-10-21","18:00:00",""
"4128656","31.678","0.008","19.591","0.004","31.774","0.01","90","","119.631","0.015","90","","17140","8","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C220 H112 O36 Zr6 -","- C220 H112 O35.9964 Zr5.9994 -","- C220 H112 O35.9964 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","1.54178","CuKα","","0.186","0.1327","","","0.3651","0.4351","","","","","","1.541","","","","has coordinates,has disorder","221737","2020-10-21","18:00:00",""
"4128657","28.13","0.003","16.7348","0.0018","28.174","0.003","90","","120.036","0.004","90","","11482","2","275","2","275","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C198 H114 O36 Zr6 -","- C198 H114 O35.997 Zr5.9994 -","- C198 H114 O35.997 Zr5.9994 -","1","0.25","","Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K.","Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","31","12229","12235","10.1021/jacs.9b06179","","","0.71073","MoKα","","0.1876","0.1259","","","0.341","0.3909","","","","","","1.255","","","","has coordinates,has disorder","221738","2020-10-21","18:00:00",""
"4128658","31.4603","0.0019","15.0357","0.0009","20.4599","0.001","90","","104.239","0.004","90","","9380.8","0.9","100","2","100.01","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C87 H74 F24 N10 O P4 -","- C87 H74 F24 N10 O P4 -","- C348 H296 F96 N40 O4 P16 -","4","1","","Roy, Indranil; Bobbala, Sharan; Young, Ryan M.; Beldjoudi, Yassine; Nguyen, Minh T.; Cetin, M. Mustafa; Cooper, James A.; Allen, Sean; Anamimoghadam, Ommid; Scott, Evan A.; Wasielewski, Michael R.; Stoddart, J. Fraser","A Supramolecular Approach for Modulated Photoprotection, Lysosomal Delivery, and Photodynamic Activity of a Photosensitizer.","Journal of the American Chemical Society","2019","141","31","12296","12304","10.1021/jacs.9b03990","","","1.54178","CuKα","","0.1122","0.0925","","","0.2636","0.2865","","","","","","1.038","","","","has coordinates,has disorder","221739","2020-10-21","18:00:00",""
"4128659","27.4401","0.0011","7.2038","0.0003","15.7216","0.0006","90","","90","","90","","3107.7","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 B N O2 -","- C17 H20 B N O2 -","- C136 H160 B8 N8 O16 -","8","2","","Rochette, Étienne; Desrosiers, Vincent; Soltani, Yashar; Fontaine, Frédéric-Georges","Isodesmic C-H Borylation: Perspectives and Proof of Concept of Transfer Borylation Catalysis.","Journal of the American Chemical Society","2019","141","31","12305","12311","10.1021/jacs.9b04305","","x-ray","1.34139","GaKα","","0.0969","0.0964","","","0.245","0.2458","","","","","","1.087","","","","has coordinates","221740","2020-10-21","18:00:00",""
"4128660","17.253","0.012","15.242","0.011","18.394","0.013","90","","103.363","0.012","90","","4706","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl3 N S Si -","- C16 H36 Cl3 N S Si -","- C128 H288 Cl24 N8 S8 Si8 -","8","2","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0778","0.0582","","","0.1436","0.158","","","","","","1.032","","","","has coordinates,has disorder","221741","2020-10-21","18:00:00",""
"4128661","13.1805","0.0017","18.929","0.002","19.042","0.002","90","","90","","90","","4750.9","0.9","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H36 N O9 P3 Si0.5 -","- C16 H36 N O9 P3 Si0.5 -","- C128 H288 N8 O72 P24 Si4 -","8","1","","Geeson, Michael B.; Ríos, Pablo; Transue, Wesley J.; Cummins, Christopher C.","Orthophosphate and Sulfate Utilization for C-E (E = P, S) Bond Formation via Trichlorosilyl Phosphide and Sulfide Anions.","Journal of the American Chemical Society","2019","141","15","6375","6384","10.1021/jacs.9b01475","","","0.71073","MoKα","","0.0801","0.043","","","0.089","0.1027","","","","","","1.021","","","","has coordinates","221742","2020-10-21","18:00:00",""
"4128662","7.755","0.002","26.43","0.006","22.349","0.005","90","","90","","90","","4580.8","1.9","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H35 B3 F20 -","- C51 H35 B3 F20 -","- C204 H140 B12 F80 -","4","0.5","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0878","0.0415","","","0.0671","0.0791","","","","","","1.017","","","","has coordinates","221743","2020-10-21","18:00:00",""
"4128663","16.7541","0.0018","20.7321","0.0017","26.318","0.003","90","","90","","90","","9141.5","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 B4 F22 -","- C48 H32 B4 F22 -","- C384 H256 B32 F176 -","8","1","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0938","0.0535","","","0.1479","0.1862","","","","","","1.065","","","","has coordinates,has disorder","221744","2020-10-21","18:00:00",""
"4128664","11.5182","0.0003","12.6576","0.0004","12.8574","0.0004","79.166","0.002","83.628","0.002","83.716","0.002","1822.18","0.09","128","20","128","20","","","","","","","","6","P 1","P 1","1","","","","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","- C66 H56 Br4 Fe2 N4 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0662","0.0607","","","0.1715","0.1808","","","","","","1.086","","","","has coordinates","221745","2020-10-21","18:00:00",""
"4128665","11.3961","0.0008","12.6727","0.0009","12.8895","0.001","80.061","0.006","84.9","0.006","84.005","0.006","1818.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","- C70 H71 Br4 Fe2 N11 O6 -","1","1","","Lu, Ran; Cao, Liya; Guan, Honghao; Liu, Lei","Iron-Catalyzed Aerobic Dehydrogenative Kinetic Resolution of Cyclic Secondary Amines.","Journal of the American Chemical Society","2019","141","15","6318","6324","10.1021/jacs.9b00615","","x-ray","1.54184","CuKα","","0.0483","0.0469","","","0.1266","0.1283","","","","","","1.072","","","","has coordinates","221746","2020-10-21","18:00:00",""
"4128666","13.2294","0.0001","7.4619","0.0001","14.9668","0.0001","90","","110.554","0.001","90","","1383.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","2","","Lu, Fu-Dong; Liu, Dan; Zhu, Lei; Lu, Liang-Qiu; Yang, Qian; Zhou, Quan-Quan; Wei, Yi; Lan, Yu; Xiao, Wen-Jing","Asymmetric Propargylic Radical Cyanation Enabled by Dual Organophotoredox and Copper Catalysis.","Journal of the American Chemical Society","2019","141","15","6167","6172","10.1021/jacs.9b02338","","x-ray","1.54184","CuKα","","0.0344","0.0341","","","0.0918","0.0921","","","","","","1.042","","","","has coordinates","221747","2020-10-21","18:00:00",""
"4128667","11.7362","0.0019","15.51","0.002","12.1799","0.0019","90","","98.288","0.002","90","","2193.9","0.6","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O2 Pt S -","- C28 H19 N O2 Pt S -","- C112 H76 N4 O8 Pt4 S4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0348","0.0337","","","0.0838","0.0846","","","","","","1.142","","","","has coordinates","221748","2020-10-21","18:00:00",""
"4128668","9.3194","0.0002","10.2399","0.0002","12.4624","0.0003","76.398","0.002","84.63","0.002","69.717","0.002","1084.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C54 H38 F4 N2 O4 Pt2 -","2","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","x-ray","1.54178","CuKα","","0.0334","0.0291","","","0.0766","0.0791","","","","","","1.048","","","","has coordinates","221749","2020-10-21","18:00:00",""
"4128669","14.468","0.003","7.3753","0.0015","20.436","0.004","90","","101.48","0.03","90","","2137","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C108 H76 F8 N4 O8 Pt4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0729","0.0627","","","0.1133","0.1186","","","","","","1.132","","","","has coordinates","221750","2020-10-21","18:00:00",""
"4128670","14.4681","0.0002","7.3806","0.0001","20.4113","0.0003","90","","101.399","0.001","90","","2136.59","0.05","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C108 H76 F8 N4 O8 Pt4 -","4","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","x-ray","1.54178","CuKα","","0.0309","0.0249","","","0.0629","0.0648","","","","","","1.103","","","","has coordinates","221751","2020-10-21","18:00:00",""
"4128671","9.3111","0.0002","10.2403","0.0002","12.4557","0.0003","76.428","0.002","84.596","0.002","69.771","0.002","1083.15","0.04","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F2 N O2 Pt -","- C27 H19 F2 N O2 Pt -","- C54 H38 F4 N2 O4 Pt2 -","2","1","","Sun, Meng-Jia; Liu, Yingying; Zeng, Wei; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","Photoluminescent Anisotropy Amplification in Polymorphic Organic Nanocrystals by Light-Harvesting Energy Transfer.","Journal of the American Chemical Society","2019","141","15","6157","6161","10.1021/jacs.9b02055","","","0.71073","MoKα","","0.0237","0.0218","","","0.0492","0.0502","","","","","","1.058","","","","has coordinates","221752","2020-10-21","18:00:00",""
"4128672","8.322","0.002","17.969","0.004","18.785","0.004","90","","93.483","0.004","90","","2803.9","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C120 H160 N16 O24 -","8","2","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.077","0.0593","","","0.1819","0.2312","","","","","","1.061","","","","has coordinates","221753","2020-10-21","18:00:00",""
"4128673","10.5923","0.0009","11.7189","0.001","18.6587","0.0017","97.374","0.002","90.086","0.002","99.864","0.002","2262.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C104 H128 N16 O8 -","8","4","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0616","0.045","","","0.0768","0.0797","","","","","","1.743","","","","has coordinates","221754","2020-10-21","18:00:00",""
"4128674","6.1799","0.0009","8.3702","0.0013","9.1069","0.0014","90","","106.537","0.002","90","","451.59","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C20 H24 N4 O2 -","2","1","","Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.","Journal of the American Chemical Society","2019","141","15","6247","6253","10.1021/jacs.8b13481","","","0.71073","MoKα","","0.0382","0.0381","","","0.0983","0.0984","","","","","","1.262","","","","has coordinates","221755","2020-10-21","18:00:00",""
"4128675","8.8193","0.0011","10.9345","0.0012","11.7593","0.0012","95.837","0.004","91.786","0.004","109.762","0.003","1059.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","1","","Zou, Ya; Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Han, Yi; Jiang, Qing; Wu, Jishan","Dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene: A Bowl-Shaped Fragment of Fullerene C<sub>70</sub> with Global Antiaromaticity.","Journal of the American Chemical Society","2019","141","18","7266","7270","10.1021/jacs.9b03169","","","0.71073","MoKα","","0.0278","0.0225","","","0.0537","0.0556","","","","","","1.072","","","","has coordinates","221756","2020-10-21","18:00:00",""
"4128676","21.6386","0.0015","15.0626","0.001","22.67","0.0016","90","","117.681","0.003","90","","6543.2","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C45.33 H46.67 -","- C45.3333 H46.6667 -","- C272 H280 -","6","1.5","","Zou, Ya; Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Han, Yi; Jiang, Qing; Wu, Jishan","Dicyclopenta[4,3,2,1- ghi:4',3',2',1'- pqr]perylene: A Bowl-Shaped Fragment of Fullerene C<sub>70</sub> with Global Antiaromaticity.","Journal of the American Chemical Society","2019","141","18","7266","7270","10.1021/jacs.9b03169","","","1.54178","CuKα","","0.0545","0.0493","","","0.1493","0.1581","","","","","","0.876","","","","has coordinates,has disorder","221757","2020-10-21","18:00:00",""
"4128677","12.265","0.002","24.523","0.005","22.176","0.006","90","","121.94","0.02","90","","5660","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Cl8 Ir O P4 -","- C55 H51 Cl8 Ir O P4 -","- C220 H204 Cl32 Ir4 O4 P16 -","4","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.1044","0.0693","","","0.1415","0.1575","","","","","","1.017","","","","has coordinates","221758","2020-10-21","18:00:00",""
"4128678","23.3229","0.0007","16.5703","0.0005","25.209","0.0007","90","","90","","90","","9742.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H48 B Br Cl3 Ir O P4 -","- C52 H48 B Br Cl3 Ir O P4 -","- C416 H384 B8 Br8 Cl24 Ir8 O8 P32 -","8","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.075","0.0522","","","0.1311","0.1492","","","","","","1.159","","","","has coordinates","221759","2020-10-21","18:00:00",""
"4128679","10.6032","0.0017","11.7641","0.0018","12.732","0.003","97.86","0.007","109.324","0.007","107.162","0.005","1382.7","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 Cl2 Ir N O P2 -","- C29 H30 Cl2 Ir N O P2 -","- C58 H60 Cl4 Ir2 N2 O2 P4 -","2","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.014","0.0132","","","0.0332","0.0335","","","","","","1.038","","","","has coordinates","221760","2020-10-21","18:00:00",""
"4128680","41.384","0.003","12.1155","0.0007","32.3933","0.0019","90","","109.788","0.002","90","","15282.6","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C156.4 H138.8 Cl11.8 Ir3 O3 P12 -","- C156.4 H138.8 Cl11.8 Ir3 O3 P12 -","- C625.6 H555.2 Cl47.2 Ir12 O12 P48 -","4","0.5","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0738","0.0685","","","0.1909","0.1939","","","","","","1.185","","","","has coordinates,has disorder","221761","2020-10-21","18:00:00",""
"4128681","14.0605","0.0006","14.4113","0.0006","19.6677","0.0009","88.181","0.002","79.515","0.002","63.887","0.001","3513.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 Cl4 Ir N2 O P2 -","- C33 H33 Cl4 Ir N2 O P2 -","- C132 H132 Cl16 Ir4 N8 O4 P8 -","4","2","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0324","0.0248","","","0.0497","0.0519","","","","","","1.033","","","","has coordinates","221762","2020-10-21","18:00:00",""
"4128682","15.2943","0.001","16.0822","0.001","17.6097","0.0012","108.002","0.002","92.021","0.002","109.271","0.0019","3842.8","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","lmcdp233","","","- C32 H27 Cl Ir N O P2 -","- C32 H27 Cl Ir N O P2 -","- C128 H108 Cl4 Ir4 N4 O4 P8 -","4","4","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0732","0.0563","","","0.131","0.1421","","","","","","1.046","","","","has coordinates,has disorder","221763","2020-10-21","18:00:00",""
"4128683","9.6658","0.0004","14.2713","0.0007","14.767","0.0007","107.989","0.002","96.128","0.002","104.806","0.002","1834.52","0.15","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C41.75 H38 Cl Ir O P2 -","- C41.75 H38 Cl Ir O P2 -","- C83.5 H76 Cl2 Ir2 O2 P4 -","2","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.0312","0.0273","","","0.0662","0.068","","","","","","1.061","","","","has coordinates,has disorder","221764","2020-10-21","18:00:00",""
"4128684","45.122","0.006","45.122","0.006","49.238","0.01","90","","90","","120","","86818","2","173","2","173","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C182.67 H102 O60 P3 Zr9 -","- C183 H102 O60 P3 Zr9 -","- C1098 H612 O360 P18 Zr54 -","6","1","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","0.71073","MoKα","","0.1213","0.0872","","","0.2634","0.2897","","","","","","0.964","","","","has coordinates","221765","2020-10-21","18:00:00",""
"4128685","38.1622","0.0009","38.1622","0.0009","45.5859","0.0015","90","","90","","120","","57495","3","173","2","173","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C135 H78 O60 P3 Zr9 -","- C135 H78 O60 P3 Zr9 -","- C810 H468 O360 P18 Zr54 -","6","0.5","","Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan","Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions.","Journal of the American Chemical Society","2019","141","18","7498","7508","10.1021/jacs.9b02294","","","1.54178","CuKα","","0.1096","0.0755","","","0.1676","0.1797","","","","","","1.026","","","","has coordinates","221766","2020-10-21","18:00:00",""
"4128686","6.2029","0.0001","8.504","0.0001","16.5123","0.0002","90","","97.283","0.001","90","","863.99","0.02","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F N O2 S -","- C20 H18 F N O2 S -","- C40 H36 F2 N2 O4 S2 -","2","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0561","0.055","","","0.1561","0.158","","","","","","1.062","","","","has coordinates,has disorder","221767","2020-10-21","18:00:00",""
"4128687","7.3844","0.0001","11.767","0.0003","24.0742","0.0005","90","","90","","90","","2091.86","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F Ge N -","- C23 H30 F Ge N -","- C92 H120 F4 Ge4 N4 -","4","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0444","0.0398","","","0.0976","0.1015","","","","","","1.053","","","","has coordinates","221768","2020-10-21","18:00:00",""
"4128688","8.5255","0.0006","10.9187","0.0009","26.122","0.003","90","","90","","90","","2431.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N O3 S -","- C28 H29 N O3 S -","- C112 H116 N4 O12 S4 -","4","1","","Tian, Zhi-Xiong; Qiao, Jin-Bao; Xu, Guang-Li; Pang, Xiaobo; Qi, Liangliang; Ma, Wei-Yuan; Zhao, Zhen-Zhen; Duan, Jicheng; Du, Yun-Fei; Su, Peifeng; Liu, Xue-Yuan; Shu, Xing-Zhong","Highly Enantioselective Cross-Electrophile Aryl-Alkenylation of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","18","7637","7643","10.1021/jacs.9b03863","","","1.54184","CuKα","","0.1101","0.073","","","0.1894","0.2606","","","","","","1.121","","","","has coordinates","221769","2020-10-21","18:00:00",""
"4128689","14.638","0.003","21.545","0.005","21.633","0.005","115.86","0.03","91.04","0.02","101.68","0.02","5968","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C149 H121.5 Cl7.5 N2 O8 -","- C148.994 H121.495 Cl7.499 N2 O8 -","- C297.988 H242.99 Cl14.998 N4 O16 -","2","1","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.1021","0.0708","","","0.1797","0.2063","","","","","","1.022","","","","has coordinates,has disorder","221770","2020-10-21","18:00:00",""
"4128690","11.357","0.003","19.873","0.006","24.561","0.005","90","","92.26","0.03","90","","5539","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.35 H66.5 B4 Cl2.9 N2 O8.9 -","- C50.35 H66.5 B4 Cl2.9 N2 O8.9 -","- C201.4 H266 B16 Cl11.6 N8 O35.6 -","4","1","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.1115","0.0922","","","0.2528","0.274","","","","","","1.107","","","","has coordinates,has disorder","221771","2020-10-21","18:00:00",""
"4128691","12.044","0.002","12.843","0.002","15.312","0.003","111.06","0.02","97.93","0.02","92.75","0.02","2176.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C96 H48 Br16 N8 -","4","2","","Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin","Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule.","Journal of the American Chemical Society","2019","141","18","7421","7427","10.1021/jacs.9b01797","","","0.71073","MoKα","","0.0698","0.0534","","","0.1305","0.1489","","","","","","1.075","","","","has coordinates","221772","2020-10-21","18:00:00",""
"4128692","11.8361","0.0002","17.0449","0.0003","13.5799","0.0002","90","","94.612","0.001","90","","2730.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C136 H152 B8 N8 -","4","1","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0434","0.0373","","","0.0909","0.0951","","","","","","1.028","","","","has coordinates","221773","2020-10-21","18:00:00",""
"4128693","11.2307","0.0005","18.6067","0.0009","15.1051","0.0007","90","","99.152","0.003","90","","3116.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 B2 Cl2 N2 -","- C35 H40 B2 Cl2 N2 -","- C140 H160 B8 Cl8 N8 -","4","2","","Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder","Tuning the Structure and Electronic Properties of B-N Fused Dipyridylanthracene and Implications on the Self-Sensitized Reactivity with Singlet Oxygen.","Journal of the American Chemical Society","2019","141","18","7453","7462","10.1021/jacs.9b01958","","","1.54178","CuKα","","0.0782","0.0686","","","0.1945","0.2023","","","","","","1.04","","","","has coordinates","221774","2020-10-21","18:00:00",""
"4128694","19.979","0.004","8.1877","0.0016","14.542","0.003","90","","90","","90","","2378.8","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N O2 P2 Ru -","- C21 H34 Cl N O2 P2 Ru -","- C84 H136 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0147","0.0142","","","0.0354","0.0356","","","","","","1.033","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128695","14.9454","0.0005","13.329","0.0005","15.2365","0.0005","90","","114.46","0.001","90","","2762.81","0.17","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl N O2 P2 Ru -","- C25 H42 Cl N O2 P2 Ru -","- C100 H168 Cl4 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.044","0.0323","","","0.0806","0.0876","","","","","","1.055","","","","has coordinates","221775","2020-10-21","18:00:00",""
"4128696","8.0794","0.0002","11.8473","0.0003","16.5367","0.0004","78.74","0.002","81.335","0.002","71.41","0.002","1464.74","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H37 Cl F3 N O5 P2 Ru S -","- C23 H37 Cl F3 N O5 P2 Ru S -","- C46 H74 Cl2 F6 N2 O10 P4 Ru2 S2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.027","0.0239","","","0.0563","0.0574","","","","","","1.032","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128697","8.2741","0.0002","10.9141","0.0002","16.1941","0.0005","102.467","0.002","96.796","0.002","108.34","0.002","1327.73","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cl N O3 P2 Ru -","- C24 H40 Cl N O3 P2 Ru -","- C48 H80 Cl2 N2 O6 P4 Ru2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0505","0.0382","","","0.0908","0.0969","","","","","","1.084","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128698","8.4532","0.0003","12.2712","0.0003","16.5682","0.0004","102.398","0.002","103.639","0.002","92.35","0.002","1623.6","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H46 F3 N O5 P2 Ru S -","- C27 H46 F3 N O5 P2 Ru S -","- C54 H92 F6 N2 O10 P4 Ru2 S2 -","2","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.043","0.0371","","","0.0761","0.0775","","","","","","1.209","","","","has coordinates,has disorder","221775","2020-10-21","18:00:00",""
"4128699","12.2611","0.0005","15.6139","0.0005","15.0481","0.0006","90","","109.982","0.004","90","","2707.43","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 N O2 P2 Ru -","- C25 H43 N O2 P2 Ru -","- C100 H172 N4 O8 P8 Ru4 -","4","1","","Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.","Journal of the American Chemical Society","2019","141","18","7554","7561","10.1021/jacs.9b02669","","","0.71073","MoKα","","0.0337","0.0272","","","0.0656","0.0687","","","","","","1.048","","","","has coordinates","221775","2020-10-21","18:00:00",""
"4128700","11.3756","0.0017","39.096","0.006","11.5017","0.0018","90","","96.094","0.004","90","","5086.4","1.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105 H126 Cl2 Co2 O4.5 P6 -","- C105 H126 Cl2 Co2 O4.5 P6 -","- C210 H252 Cl4 Co4 O9 P12 -","2","1","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0765","0.0727","","","0.1856","0.1878","","","","","","1.108","","","","has coordinates","221777","2020-10-21","18:00:00",""
"4128701","21.4598","0.0009","21.5413","0.0009","23.7245","0.001","66.439","0.001","66.401","0.001","71.722","0.001","9056.8","0.7","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H78 Cl2 Co2 P6 -","- C81 H78 Cl2 Co2 P6 -","- C324 H312 Cl8 Co8 P24 -","4","2","","Duvvuri, Krishnaja; Dewese, Kendra R.; Parsutkar, Mahesh M.; Jing, Stanley M.; Mehta, Milauni M.; Gallucci, Judith C.; RajanBabu, T. V.","Cationic Co(I)-Intermediates for Hydrofunctionalization Reactions: Regio- and Enantioselective Cobalt-Catalyzed 1,2-Hydroboration of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","18","7365","7375","10.1021/jacs.8b13812","","x-ray","0.71073","MoKα","","0.0644","0.0422","","","0.1056","0.1171","","","","","","1.025","","","","has coordinates","221778","2020-10-21","18:00:00",""
"4128702","8.3679","0.0002","9.3117","0.0004","10.5715","0.0004","68.047","0.004","81.979","0.003","65.376","0.003","694.39","0.05","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Fe2 O10 -","- C24 H38 Fe2 O10 -","- C24 H38 Fe2 O10 -","1","0.5","","Kim, Dongyoung; Rahaman, S. M. Wahidur; Mercado, Brandon Q.; Poli, Rinaldo; Holland, Patrick L.","Roles of Iron Complexes in Catalytic Radical Alkene Cross-Coupling: A Computational and Mechanistic Study.","Journal of the American Chemical Society","2019","141","18","7473","7485","10.1021/jacs.9b02117","","","0.71073","MoKα","","0.0244","0.0229","","","0.0618","0.0623","","","","","","1.105","","","","has coordinates","221779","2020-10-21","18:00:00",""
"4128703","6.2087","0.0008","6.2087","0.0008","6.2087","0.0008","90","","90","","90","","239.33","0.05","330","","330","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H12 N O4 Re -","- C6.9996 O3.9996 Re -","- C6.9996 O3.9996 Re -","1","0.0208333","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0246","0.0237","","","0.0655","0.066","","","","","","1.223","","","","has coordinates","221780","2020-10-21","18:00:00",""
"4128704","6.1776","0.0007","6.1776","0.0007","6.1776","0.0007","89.846","0.001","89.846","0.001","89.846","0.001","235.75","0.05","300","","300","","","","","","","","","5","R 3 m :R","P 3* -2","160","","","","- C6 H12 N O4 Re -","- C6 H12.0001 N O4 Re -","- C6 H12.0001 N O4 Re -","1","0.166667","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0168","0.0168","","","0.0415","0.0415","","","","","","1.171","","","","has coordinates,has disorder","221780","2020-10-21","18:00:00",""
"4128705","6.218","0.01","6.218","0.01","6.218","0.01","90","","90","","90","","240.4","0.7","270","","270","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C6 H12 I N O4 -","- C6.9996 I O3.9996 -","- C6.9996 I O3.9996 -","1","0.0208333","","Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji","Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.","Journal of the American Chemical Society","2019","141","23","9349","9357","10.1021/jacs.9b03369","","","0.71073","MoKα","","0.0497","0.048","","","0.1151","0.1153","","","","","","1.311","","","","has coordinates","221780","2020-10-21","18:00:00",""
"4128706","8.3171","0.0009","8.7877","0.0011","17.784","0.002","90.246","0.006","98.944","0.006","103.627","0.006","1246.7","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H64 Si2 -","- C64 H64 Si2 -","- C64 H64 Si2 -","1","0.5","","Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Maignan, Antoine; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel","Excellent Semiconductors Based on Tetracenotetracene and Pentacenopentacene: From Stable Closed-Shell to Singlet Open-Shell.","Journal of the American Chemical Society","2019","141","23","9373","9381","10.1021/jacs.9b03488","","","0.71073","MoKα","","0.0842","0.0667","","","0.1639","0.1792","","","","","","1.042","","","","has coordinates","221781","2020-10-21","18:00:00",""
"4128707","9.892","0.002","19.639","0.004","10.615","0.002","90","","106.64","0.03","90","","1975.8","0.7","128.15","","128.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H50 N6 O7 -","- C41 H50 N6 O7 -","- C82 H100 N12 O14 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","","0.71073","MoKα","","0.0619","0.043","","","0.0807","0.09","","","","","","0.952","","","","has coordinates","221782","2020-10-21","18:00:00",""
"4128708","21.355","0.0001","12.8409","0.0001","11.1411","0.0001","90","","90","","90","","3055.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30.5 H36 Cl N5 O6 -","- C30.5 H36 Cl N5 O6 -","- C122 H144 Cl4 N20 O24 -","4","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0413","0.0404","","","0.1199","0.1209","","","","","","1.069","","","","has coordinates,has disorder","221783","2020-10-21","18:00:00",""
"4128709","11.2412","0.0001","10.5448","0.0001","17.0505","0.0001","90","","107.124","0.001","90","","1931.51","0.03","294","2","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H50 N6 O6 -","- C39 H50 N6 O6 -","- C78 H100 N12 O12 -","2","1","","Li, Bo; Li, Xinghua; Han, Boyang; Chen, Zhijie; Zhang, Xuekai; He, Gang; Chen, Gong","Construction of Natural-Product-Like Cyclophane-Braced Peptide Macrocycles via sp<sup>3</sup> C-H Arylation.","Journal of the American Chemical Society","2019","141","23","9401","9407","10.1021/jacs.9b04221","","x-ray","1.54184","CuKα","","0.0331","0.0322","","","0.0929","0.0939","","","","","","1.039","","","","has coordinates","221784","2020-10-21","18:00:00",""
"4128710","7.247","0.002","10.734","0.003","10.837","0.003","82.378","0.003","86.98","0.003","87.899","0.003","834","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C32 H44 N4 O8 S2 -","2","1","","Li, Hongze; Shen, Shou-Jie; Zhu, Cheng-Liang; Xu, Hao","Direct Intermolecular Anti-Markovnikov Hydroazidation of Unactivated Olefins.","Journal of the American Chemical Society","2019","141","23","9415","9421","10.1021/jacs.9b04381","","","0.71073","MoKα","","0.0882","0.083","","","0.2466","0.2523","","","","","","1.084","","","","has coordinates","221785","2020-10-21","18:00:00",""
"4128711","9.2727","0.0017","12.891","0.002","5.4962","0.0012","90","","90.015","0.007","90","","657","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Co3 O10 -","- C8 H2 Co3 O10 -","- C16 H4 Co6 O20 -","2","0.25","","Li, Liangying; Guo, Lidong; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Bao, Zongbi; Ren, Qilong; Li, Jing","A Robust Squarate-Based Metal-Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton.","Journal of the American Chemical Society","2019","141","23","9358","9364","10.1021/jacs.9b03422","","","0.71073","MoKα","","0.0202","0.0194","","","0.0523","0.0527","","","","","","1.009","","","","has coordinates","221786","2020-10-21","18:00:00",""
"4128712","10.113","0.01","17.305","0.016","15.793","0.015","90","","93.473","0.013","90","","2759","5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl8 Ga2 P2 Se2 -","- C38 H34 Cl8 Ga2 P2 Se2 -","- C76 H68 Cl16 Ga4 P4 Se4 -","2","0.5","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.1435","0.0626","","","0.1193","0.1543","","","","","","1.014","","","","has coordinates","221787","2020-10-21","18:00:00",""
"4128713","6.476","0.004","11.412","0.007","16.422","0.009","90","","99.474","0.006","90","","1197.1","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 N2 O3 S2 -","- C8 H7 F3 N2 O3 S2 -","- C32 H28 F12 N8 O12 S8 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.0763","0.0432","","","0.098","0.1162","","","","","","1.041","","","","has coordinates","221788","2020-10-21","18:00:00",""
"4128714","12.628","0.004","11.193","0.003","18.905","0.005","90","","105.154","0.003","90","","2579.2","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N O6 -","- C30 H31 N O6 -","- C120 H124 N4 O24 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.092","0.0479","","","0.107","0.1284","","","","","","1.014","","","","has coordinates","221789","2020-10-21","18:00:00",""
"4128715","9.579","0.0004","17.1831","0.0003","11.6372","0.0005","90","","114.236","0.006","90","","1746.62","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","x-ray","1.54184","CuKα","","0.0524","0.0436","","","0.1135","0.1289","","","","","","1.091","","","","has coordinates","221790","2020-10-21","18:00:00",""
"4128716","13.843","0.012","14.77","0.013","16.408","0.015","98.002","0.009","111.568","0.008","91.861","0.009","3077","5","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl4 Ga P2 Se2 -","- C56 H42 Cl4 Ga P2 Se2 -","- C112 H84 Cl8 Ga2 P4 Se4 -","2","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","x-ray","0.71073","MoKα","","0.1852","0.0584","","","0.1294","0.1739","","","","","","0.935","","","","has coordinates","221791","2020-10-21","18:00:00",""
"4128717","13.521","0.009","8.727","0.006","16.583","0.011","90","","112.641","0.007","90","","1806","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Wang, Wei; Zhu, Haofu; Liu, Shuya; Zhao, Zhiguo; Zhang, Liang; Hao, Jingcheng; Wang, Yao","Chalcogen-Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules.","Journal of the American Chemical Society","2019","141","23","9175","9179","10.1021/jacs.9b03806","","","0.71073","MoKα","","0.0621","0.0454","","","0.1238","0.1356","","","","","","1.058","","","","has coordinates","221792","2020-10-21","18:00:00",""
"4128718","12.2462","0.0004","18.9725","0.0006","20.7122","0.0006","91.488","0.001","100.961","0.001","102.263","0.001","4605.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H93 Cl4 F12 N8 O14.5 Rh4 S4 -","- C76 H93 Cl4 F12 N8 O14.5 Rh4 S4 -","- C152 H186 Cl8 F24 N16 O29 Rh8 S8 -","2","1","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0587","0.0534","","","0.1405","0.1464","","","","","","1.055","","","","has coordinates,has disorder","221793","2020-10-21","18:00:00",""
"4128719","22.226","0.003","22.561","0.003","23.443","0.003","61.751","0.005","83.713","0.005","67.618","0.004","9539","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H106.67 F12 N25.33 O28 Pd2 Rh4 S4 -","- C88.6667 H88 F6 N17.3333 O18 Pd2 Rh4 S2 -","- C266 H264 F18 N52 O54 Pd6 Rh12 S6 -","3","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0816","0.0614","","","0.1698","0.1877","","","","","","1.051","","","","has coordinates,has disorder","221794","2020-10-21","18:00:00",""
"4128720","22.109","0.004","32.573","0.006","23.984","0.005","90","","101.33","0.004","90","","16936","6","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H120.67 F12 N12 O27.67 Rh4 S4 -","- C87.3333 H84 F8 N12 O16.6667 Rh4 S2.66667 -","- C524 H504 F48 N72 O100 Rh24 S16 -","6","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1844","0.1165","","","0.3034","0.3517","","","","","","1.021","","","","has coordinates,has disorder","221795","2020-10-21","18:00:00",""
"4128721","24.819","0.007","15.641","0.005","29.158","0.008","90","","103.341","0.005","90","","11014","6","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H102 Cl4 F12 N12 O24 Rh4 S4 -","- C84 H86 Cl4 F12 N12 O21 Rh4 S4 -","- C336 H344 Cl16 F48 N48 O84 Rh16 S16 -","4","1","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1022","0.0601","","","0.1584","0.1878","","","","","","1.015","","","","has coordinates,has disorder","221796","2020-10-21","18:00:00",""
"4128722","42.412","0.009","24.783","0.005","37.548","0.008","90","","93.396","0.004","90","","39397","14","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C104 H140 F12 N12 O38 Pd2 Rh4 S6 -","- C91.6667 H92 F7 N12 O19.6667 Pd2 Rh4 S3 -","- C1100 H1104 F84 N144 O236 Pd24 Rh48 S36 -","12","1.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","0.71073","MoKα","","0.1613","0.0923","","","0.2458","0.3084","","","","","","1.034","","","","has coordinates,has disorder","221797","2020-10-21","18:00:00",""
"4128723","14.5778","0.0007","19.8862","0.0009","18.8713","0.0009","90","","111.907","0.002","90","","5075.7","0.4","173","2","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H86 Cl4 F12 N12 O14 Rh4 S4 -","- C70 H86 Cl4 F12 N12 O14 Rh4 S4 -","- C140 H172 Cl8 F24 N24 O28 Rh8 S8 -","2","0.5","","Gao, Wen-Xi; Feng, Hui-Jun; Lin, Yue-Jian; Jin, Guo-Xin","Covalent Post-assembly Modification Triggers Structural Transformations of Borromean Rings.","Journal of the American Chemical Society","2019","141","23","9160","9164","10.1021/jacs.9b02985","","","1.34138","GaKα","","0.0661","0.0534","","","0.1272","0.1428","","","","","","1.128","","","","has coordinates","221798","2020-10-21","18:00:00",""
"4128724","14.6899","0.0013","11.8518","0.0011","7.5864","0.0006","90","","98.535","0.003","90","","1306.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0482","0.041","","","0.1137","0.1206","","","","","","1.065","","","","has coordinates","221799","2020-10-21","18:00:00",""
"4128725","15.0243","0.0018","9.1417","0.0011","11.0063","0.0013","90","","92.782","0.006","90","","1509.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N O P -","- C18 H16 N O P -","- C72 H64 N4 O4 P4 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0469","0.0384","","","0.1063","0.1129","","","","","","1.067","","","","has coordinates","221800","2020-10-21","18:00:00",""
"4128726","8.7457","0.0006","9.3045","0.0006","12.4461","0.0008","104.345","0.002","103.023","0.002","90.34","0.002","953.93","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N O3 P -","- C23 H20 N O3 P -","- C46 H40 N2 O6 P2 -","2","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0653","0.0474","","","0.1299","0.1448","","","","","","1.041","","","","has coordinates","221801","2020-10-21","18:00:00",""
"4128727","8.8392","0.0006","17.5163","0.0012","11.7943","0.0008","90","","109.285","0.002","90","","1723.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N O P -","- C22 H18 N O P -","- C88 H72 N4 O4 P4 -","4","1","","Kim, Inwon; Kang, Gyumin; Lee, Kangjae; Park, Bohyun; Kang, Dahye; Jung, Hoimin; He, Yu-Tao; Baik, Mu-Hyun; Hong, Sungwoo","Site-Selective Functionalization of Pyridinium Derivatives via Visible-Light-Driven Photocatalysis with Quinolinone.","Journal of the American Chemical Society","2019","141","23","9239","9248","10.1021/jacs.9b02013","","","0.71073","MoKα","","0.0375","0.0338","","","0.0918","0.0949","","","","","","1.031","","","","has coordinates","221802","2020-10-21","18:00:00",""
"4128728","26.283","0.0001","26.283","0.0001","26.283","0.0001","90","","90","","90","","18156.2","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_55","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O13.5 -","- C18 H6 Cu3 O13.581 -","- C288 H96 Cu48 O217.296 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.094","0.0731","","","0.2538","0.2769","","","","","","1.28","","","","has coordinates","221803","2020-10-21","18:00:00",""
"4128729","26.3038","0.0001","26.3038","0.0001","26.3038","0.0001","90","","90","","90","","18199.3","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_100","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O15 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.1056","0.0831","","","0.2762","0.3002","","","","","","1.211","","","","has coordinates","221804","2020-10-21","18:00:00",""
"4128730","26.279","0.0001","26.279","0.0001","26.279","0.0001","90","","90","","90","","18147.9","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_28","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O13 -","- C18 H6 Cu3 O12.852 -","- C288 H96 Cu48 O205.632 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.0538","0.0339","","","0.0927","0.1078","","","","","","1.12","","","","has coordinates","221805","2020-10-21","18:00:00",""
"4128731","26.269","0.0001","26.269","0.0001","26.269","0.0001","90","","90","","90","","18127.2","0.12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Cu3(BTC)2_14","catena-[bis(m-benzene-1,3,5-tricarboxylato)-triaqua-tri-copper","","- C18 H6 Cu3 O12.5 -","- C18 H6 Cu3 O12.432 -","- C288 H96 Cu48 O198.912 -","16","0.0833333","","Scatena, Rebecca; Guntern, Yannick T.; Macchi, Piero","Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu<sub>3</sub>(BTC)<sub>2</sub> and Zn<sub>3</sub>(BTC)<sub>2</sub>.","Journal of the American Chemical Society","2019","141","23","9382","9390","10.1021/jacs.9b03643","","","0.71073","MoKα","","0.0217","0.0203","","","0.0602","0.0613","","","","","","1.081","","","","has coordinates","221806","2020-10-21","18:00:00",""
"4128732","8.6884","0.0008","9.4552","0.0008","14.6981","0.0012","92.465","0.003","104.135","0.003","112.842","0.003","1066.17","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H60 Br2 Cl4 F4 N2 O2 -","- C32 H60 Br2 Cl4 F4 N2 O2 -","- C32 H60 Br2 Cl4 F4 N2 O2 -","1","0.5","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.1064","0.0584","","","0.1376","0.1531","","","","","","1.003","","","","has coordinates","221807","2020-10-21","18:00:00",""
"4128733","9.4008","0.0014","10.9112","0.0016","11.8382","0.0018","105.366","0.005","97.509","0.006","110.255","0.005","1064.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 F4 I N O2 -","- C18 H28 F4 I N O2 -","- C36 H56 F8 I2 N2 O4 -","2","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.0562","0.0356","","","0.0675","0.0749","","","","","","1.06","","","","has coordinates","221808","2020-10-21","18:00:00",""
"4128734","9.41","0.0004","9.4831","0.0004","12.9042","0.0005","97.931","0.002","90.411","0.002","97.764","0.002","1129.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 Br F4 N O4 -","- C19 H29 Br F4 N O4 -","- C38 H58 Br2 F8 N2 O8 -","2","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","1.54178","CuKα","","0.0615","0.0528","","","0.1426","0.1513","","","","","","1.109","","","","has coordinates","221809","2020-10-21","18:00:00",""
"4128735","10.2282","0.0006","12.5758","0.0007","19.9561","0.0009","90","","97.358","0.002","90","","2545.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Cl6 N8 O6 -","- C48 H56 Cl6 N8 O6 -","- C96 H112 Cl12 N16 O12 -","2","0.5","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.0776","0.0439","","","0.0892","0.1026","","","","","","1.019","","","","has coordinates,has disorder","221810","2020-10-21","18:00:00",""
"4128736","15.2745","0.0013","10.2019","0.0009","20.6506","0.0018","90","","96.098","0.006","90","","3199.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl5 N5 O4 -","- C28 H28 Cl5 N5 O4 -","- C112 H112 Cl20 N20 O16 -","4","1","","Kepler, Slade; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π Complexes of Halides with p-Benzoquinones: Structures, Thermodynamics, and Criteria of Charge Transfer to Electron Transfer Transition.","Journal of the American Chemical Society","2019","141","23","9338","9348","10.1021/jacs.9b03277","","","0.71073","MoKα","","0.1531","0.0613","","","0.0978","0.1201","","","","","","0.996","","","","has coordinates,has disorder","221811","2020-10-21","18:00:00",""
"4128737","20.778","0.004","7.2406","0.0017","17.576","0.006","90","","98.794","0.012","90","","2613.1","1.2","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H64 N18 O24 P2 -","- C38 H64 N18 O24 P2 -","- C76 H128 N36 O48 P4 -","2","0.5","","Zhou, Li; Retailleau, Pascal; Morel, Mathieu; Rudiuk, Sergii; Baigl, Damien","Photoswitchable Fluorescent Crystals Obtained by the Photoreversible Coassembly of a Nucleobase and an Azobenzene Intercalator.","Journal of the American Chemical Society","2019","141","23","9321","9329","10.1021/jacs.9b02836","","","1.54187","CuKα","","0.1971","0.0891","","","0.2031","0.265","","","","","","0.978","","","","has coordinates","221812","2020-10-21","18:00:00",""
"4128738","11.3484","0.0007","20.8006","0.0012","17.0866","0.001","90","","102.202","0.002","90","","3942.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cl5 N4 O3 Th -","- C35 H49 Cl5 N4 O3 Th -","- C140 H196 Cl20 N16 O12 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0205","0.0186","","","0.0479","0.0491","","","","","","1.251","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128739","9.712","0.0008","17.5161","0.0015","22.8464","0.0017","90","","93.634","0.003","90","","3878.7","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 N4 O3 Si Th -","- C37 H56 N4 O3 Si Th -","- C148 H224 N16 O12 Si4 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.058","0.0508","","","0.1022","0.1059","","","","","","1.243","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128740","12.0934","0.0015","17.895","0.002","20.998","0.003","90","","97.346","0.006","90","","4506.9","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 F6 N5 O4 Th -","- C45 H57 F6 N5 O4 Th -","- C180 H228 F24 N20 O16 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0274","0.0228","","","0.0547","0.057","","","","","","1.067","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128741","13.9171","0.0006","18.1649","0.0007","22.1946","0.0009","90","","96.724","0.002","90","","5572.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H64 F6 Li N5 O5 Th -","- C49 H64 F6 Li N5 O5 Th -","- C196 H256 F24 Li4 N20 O20 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.048","0.0444","","","0.1112","0.1129","","","","","","1.348","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128742","11.8126","0.0006","12.0421","0.0006","25.5193","0.0012","94.897","0.002","95.005","0.002","118.644","0.002","3139.9","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H84 F6 K N7 O9 Th -","- C59 H84 F6 K N7 O9 Th -","- C118 H168 F12 K2 N14 O18 Th2 -","2","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0682","0.0564","","","0.1059","0.11","","","","","","1.161","","","","has coordinates","221813","2020-10-21","18:00:00",""
"4128743","19.401","0.0016","19.4715","0.0016","18.6191","0.0015","90","","97.543","0.004","90","","6972.8","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 B F24 N4 O4 Th -","- C69 H67 B F24 N4 O4 Th -","- C276 H268 B4 F96 N16 O16 Th4 -","4","1","","Cheisson, Thibault; Kersey, Kyle D.; Mahieu, Nolwenn; McSkimming, Alex; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Multiple Bonding in Lanthanides and Actinides: Direct Comparison of Covalency in Thorium(IV)- and Cerium(IV)-Imido Complexes.","Journal of the American Chemical Society","2019","141","23","9185","9190","10.1021/jacs.9b04061","","","0.71073","MoKα","","0.0575","0.045","","","0.0892","0.0966","","","","","","1.077","","","","has coordinates,has disorder","221813","2020-10-21","18:00:00",""
"4128744","5.5115","0.0001","9.7152","0.0002","8.7681","0.0002","90","","96.864","0.002","90","","466.126","0.017","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Cl O2 -","- C11 H9 Cl O2 -","- C22 H18 Cl2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0312","0.031","","","0.0804","0.0806","","","","","","1.106","","","","has coordinates","221814","2020-10-21","18:00:00",""
"4128745","5.6119","0.0001","9.6719","0.0002","8.9813","0.0002","90","","97.545","0.002","90","","483.264","0.017","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0412","0.0405","","","0.1097","0.1105","","","","","","1.126","","","","has coordinates","221815","2020-10-21","18:00:00",""
"4128746","5.5659","0.0001","9.7305","0.0002","7.6693","0.0001","90","","92.853","0.001","90","","414.847","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Chandgude, Ajay L.; Ren, Xinkun; Fasan, Rudi","Stereodivergent Intramolecular Cyclopropanation Enabled by Engineered Carbene Transferases.","Journal of the American Chemical Society","2019","141","23","9145","9150","10.1021/jacs.9b02700","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.069","0.0691","","","","","","1.081","","","","has coordinates","221816","2020-10-21","18:00:00",""
"4128747","13.49627","","9.884103","","9.164619","","90","","90","","90","","1222.55","","563","","563","","","","810000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-hPT-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C48 H48 N32 Zn8 -","8","1","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.046","","","","","","","","0.0832","","","","","","","has coordinates","221817","2020-10-21","18:00:00",""
"4128748","14.56659","","14.44478","","15.45102","","90","","90","","90","","3251.07","","313","","313","","","","200000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-cp-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C96 H96 N64 Zn16 -","16","2","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.0627","","","","","","","","23.634","","","","","","","has coordinates","221818","2020-10-21","18:00:00",""
"4128749","18.6187","0.0015","15.7648","0.001","17.9841","0.0011","90","","103.318","0.007","90","","5136.7","0.6","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 -","- C60 H44 N8 O13 -","- C240 H176 N32 O52 -","4","1","","Wang, Zhifang; Sikdar, Nivedita; Wang, Shi-Qiang; Li, Xia; Yu, Meihui; Bu, Xian-He; Chang, Ze; Zou, Xiaolong; Chen, Yao; Cheng, Peng; Yu, Kuang; Zaworotko, Michael J.; Zhang, Zhenjie","Soft Porous Crystal Based upon Organic Cages That Exhibit Guest-Induced Breathing and Selective Gas Separation.","Journal of the American Chemical Society","2019","141","23","9408","9414","10.1021/jacs.9b04319","","x-ray","0.71073","MoKα","","0.1983","0.0908","","","0.172","0.2233","","","","","","1.039","","","","has coordinates","221819","2020-10-21","18:00:00",""
"4128750","20.7759","0.0007","15.7504","0.0006","18.2205","0.0006","90","","97.372","0.003","90","","5913","0.4","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H46 Cl4 N8 O12 -","- C62 H46 Cl4 N8 O12 -","- C248 H184 Cl16 N32 O48 -","4","1","","Wang, Zhifang; Sikdar, Nivedita; Wang, Shi-Qiang; Li, Xia; Yu, Meihui; Bu, Xian-He; Chang, Ze; Zou, Xiaolong; Chen, Yao; Cheng, Peng; Yu, Kuang; Zaworotko, Michael J.; Zhang, Zhenjie","Soft Porous Crystal Based upon Organic Cages That Exhibit Guest-Induced Breathing and Selective Gas Separation.","Journal of the American Chemical Society","2019","141","23","9408","9414","10.1021/jacs.9b04319","","","0.71073","MoKα","","0.0976","0.0691","","","0.1728","0.1879","","","","","","1.058","","","","has coordinates","221820","2020-10-21","18:00:00",""
"4128751","5.7307","0.0007","8.2795","0.0011","24.749","0.003","90","","91.3419","0.0017","90","","1174","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl I O2 -","- C9 H16 Cl I O2 -","- C36 H64 Cl4 I4 O8 -","4","2","","Michalak, Sharon E.; Nam, Sangkil; Kwon, David M.; Horne, David A.; Vanderwal, Christopher D.","A Chlorine-Atom-Controlled Terminal-Epoxide-Initiated Bicyclization Cascade Enables a Synthesis of the Potent Cytotoxins Haterumaimides J and K.","Journal of the American Chemical Society","2019","141","23","9202","9206","10.1021/jacs.9b04702","","","0.71073","MoKα","","0.03","0.0282","","","0.0732","0.0741","","","","","","1.214","","","","has coordinates","221821","2020-10-21","18:00:00",""
"4128752","9.1874","0.0002","13.9904","0.0002","20.1638","0.0003","90","","90","","90","","2591.76","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11.5 H15.5 Cl1.5 O4.5 -","- C11.5 H15.5 Cl1.5 O4.5 -","- C92 H124 Cl12 O36 -","8","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0353","0.0329","","","0.0827","0.0842","","","","","","1.053","","","","has coordinates","221822","2020-10-21","18:00:00",""
"4128753","9.3675","0.0004","9.8446","0.0004","12.9472","0.0006","89.972","0.003","69.566","0.004","79.485","0.004","1097.47","0.09","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 N O6 -","- C26 H27 N O6 -","- C52 H54 N2 O12 -","2","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0284","0.028","","","0.0701","0.0704","","","","","","1.091","","","","has coordinates","221823","2020-10-21","18:00:00",""
"4128754","6.0064","0.0001","12.4392","0.0002","16.1835","0.0003","90","","90","","90","","1209.15","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0241","0.0241","","","0.0634","0.0634","","","","","","1.047","","","","has coordinates","221824","2020-10-21","18:00:00",""
"4128755","23.025","0.002","14.4111","0.0013","35.128","0.003","90","","107.619","0.003","90","","11109.2","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H86 F24 N4 O P4 -","- C106 H86 F24 N4 O P4 -","- C424 H344 F96 N16 O4 P16 -","4","1","","Li, Yawen; Dong, Yunhong; Cheng, Lin; Qin, Chunyan; Nian, Hao; Zhang, Haiyang; Yu, Yang; Cao, Liping","Aggregation-Induced Emission and Light-Harvesting Function of Tetraphenylethene-Based Tetracationic Dicyclophane.","Journal of the American Chemical Society","2019","141","21","8412","8415","10.1021/jacs.9b02617","","","0.71073","MoKα","","0.175","0.0853","","","0.2166","0.2536","","","","","","0.918","","","","has coordinates,has disorder","221825","2020-10-21","18:00:00",""
"4128756","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","221826","2020-10-21","18:00:00",""
"4128757","8.19798","0.00005","7.89375","0.00004","20.23662","0.0001","90","","99.2147","0.0005","90","","1292.67","0.012","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H43 N O3 Si -","- C27 H43 N O3 Si -","- C54 H86 N2 O6 Si2 -","2","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0559","0.0556","","","0.1517","0.152","","","","","","1.043","","","","has coordinates","221827","2020-10-21","18:00:00",""
"4128758","5.89374","0.00002","26.1462","0.00008","26.91187","0.00008","90","","90","","90","","4147.09","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H50 N2 O13 S -","- C43 H50 N2 O13 S -","- C172 H200 N8 O52 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0254","0.0251","","","0.0641","0.0643","","","","","","1.044","","","","has coordinates","221828","2020-10-21","18:00:00",""
"4128759","7.62899","0.00005","8.62984","0.00004","47.2575","0.0002","90","","90","","90","","3111.29","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N4 O13 S2 -","- C27 H36 N4 O13 S2 -","- C108 H144 N16 O52 S8 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.054","","","","has coordinates","221829","2020-10-21","18:00:00",""
"4128760","7.6865","0.0003","29.0486","0.0011","8.7393","0.0004","90","","111.856","0.001","90","","1811.07","0.13","298","2","297.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 O13 S2 -","- C27 H33 N4 O13 S2 -","- C54 H66 N8 O26 S4 -","2","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","0.71073","MoKα","","0.1236","0.1164","","","0.3172","0.3235","","","","","","2.6665","","","","has coordinates","221830","2020-10-21","18:00:00",""
"4128761","13.877","0.0002","13.877","0.0002","12.2284","0.0002","90","","90","","90","","2354.84","0.06","100","2","100","2","","","","","","","","4","P -4","P -4","81","","","","- C27 H36 Fe N2 -","- C27 H36 Fe N2 -","- C108 H144 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.0724","0.0594","","","0.1196","0.1255","","","","","","1.201","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128762","10.7415","0.0003","30.1238","0.0008","8.1904","0.0002","90","","96.802","0.002","90","","2631.55","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Fe N2 -","- C30 H40 Fe N2 -","- C120 H160 Fe4 N8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.1761","0.1418","","","0.2395","0.2583","","","","","","1.145","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128763","9.6392","0.0006","9.8763","0.0006","18.4278","0.0012","88.863","0.002","80.655","0.002","77.495","0.002","1689.76","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 Fe N4 -","- C38 H48 Fe N4 -","- C76 H96 Fe2 N8 -","2","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.15","0.0947","","","0.1484","0.1695","","","","","","1.128","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4128764","17.2244","0.0009","23.3339","0.0012","14.9504","0.0007","90","","97.969","0.002","90","","5950.7","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H42 Fe N4 -","- C34.5 H42 Fe N4 -","- C276 H336 Fe8 N32 -","8","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.1517","0.0983","","","0.1734","0.196","","","","","","1.063","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128765","13.2598","0.0004","20.1582","0.0007","14.9573","0.0005","90","","115.941","0.002","90","","3595.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Fe N4 -","- C42 H52 Fe N4 -","- C168 H208 Fe4 N16 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","1.54178","CuKα","","0.1548","0.1114","","","0.226","0.2487","","","","","","1.086","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4128766","16.216","0.0008","11.9385","0.0006","16.7276","0.0009","90","","117.879","0.002","90","","2862.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Fe N2 O Si2 -","- C27 H42 Fe N2 O Si2 -","- C108 H168 Fe4 N8 O4 Si8 -","4","1","","Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.","Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.","Journal of the American Chemical Society","2019","141","21","8557","8573","10.1021/jacs.9b02443","","","0.71073","MoKα","","0.0682","0.0502","","","0.1021","0.1119","","","","","","1.086","","","","has coordinates","221831","2020-10-21","18:00:00",""
"4128767","6.2983","0.0001","6.2983","0.0001","6.2983","0.0001","90","","90","","90","","249.845","0.007","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","formamidinium methylamonium lead tin iodide","","","- C I3 N2.857 Pb0.48 Sn0.521 -","- C I3 N2.8566 Pb0.4799 Sn0.5209 -","- C I3 N2.8566 Pb0.4799 Sn0.5209 -","1","0.0208333","","Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Ethylenediammonium-Based ""Hollow"" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability.","Journal of the American Chemical Society","2019","141","21","8627","8637","10.1021/jacs.9b03662","","x-ray","0.71073","MoKα","","0.0193","0.0193","","","0.0696","0.0696","","","","2.72","2.72","2.72","","","","has coordinates","221832","2020-10-21","18:00:00",""
"4128768","10.0988","0.0002","11.366","0.0001","14.0353","0.0002","90","","108.385","0.002","90","","1528.78","0.04","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Br F6 N2 P5 Re -","- C20 H48 Br F6 N2 P5 Re -","- C40 H96 Br2 F12 N4 P10 Re2 -","2","0.5","","Shanahan, James P.; Szymczak, Nathaniel K.","Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation.","Journal of the American Chemical Society","2019","141","21","8550","8556","10.1021/jacs.9b02288","","x-ray","1.54184","CuKα","","0.0406","0.0403","","","0.1127","0.1129","","","","","","1.22","","","","has coordinates,has disorder","221833","2020-10-21","18:00:00",""
"4128769","35.0246","0.0012","12.2516","0.0004","16.0092","0.0006","90","","107.546","0.001","90","","6550.1","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H50 N2 O3 P2 Ru -","- C27 H50 N2 O3 P2 Ru -","- C216 H400 N16 O24 P16 Ru8 -","8","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO<sub>2</sub> Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0411","0.0284","","","0.0696","0.074","","","","","","1.029","","","","has coordinates","221834","2020-10-21","18:00:00",""
"4128770","16.3158","0.0005","12.7484","0.0004","18.5646","0.0006","90","","91.285","0.001","90","","3860.5","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H118 K2 N2 O10 P4 Ru2 -","- C66 H118 K2 N2 O10 P4 Ru2 -","- C132 H236 K4 N4 O20 P8 Ru4 -","2","1","","Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.","Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO<sub>2</sub> Hydrogenation to Methanol and Catalyst Inhibition.","Journal of the American Chemical Society","2019","141","36","14317","14328","10.1021/jacs.9b06760","","","0.71073","MoKα","","0.0577","0.0483","","","0.1217","0.1275","","","","","","1.044","","","","has coordinates,has disorder","221834","2020-10-21","18:00:00",""
"4128771","20.262","0.002","20.262","0.002","20.262","0.002","90","","90","","90","","8318.5","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H16 Cu N10 O4 -","- C16 H16 Cu N10 O4 -","- C192 H192 Cu12 N120 O48 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0444","0.0333","","","0.0812","0.0854","","","","","","1.076","","","","has coordinates","221835","2020-10-21","18:00:00",""
"4128772","20.12","0.004","20.12","0.004","20.12","0.004","90","","90","","90","","8145","3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C8 H15 Cu0.5 N5 O5.5 -","- C8 H14.9997 Cu0.5 N5 O5.49985 -","- C192 H359.993 Cu12 N120 O131.996 -","24","1","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0323","0.0307","","","0.0829","0.0838","","","","","","1.105","","","","has coordinates,has disorder","221836","2020-10-21","18:00:00",""
"4128773","20.172","0.002","20.172","0.002","20.172","0.002","90","","90","","90","","8208.2","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H25.33 Cu N10 O8.67 -","- C16 H25.3332 Cu N10 O8.6666 -","- C192 H303.998 Cu12 N120 O103.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0642","0.0456","","","0.1189","0.1263","","","","","","1.054","","","","has coordinates,has disorder","221837","2020-10-21","18:00:00",""
"4128774","20.1133","0.0007","20.1133","0.0007","20.1133","0.0007","90","","90","","90","","8136.7","0.5","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H28.67 Cu N10 O9.67 -","- C16 H28.666 Cu N10 O9.6666 -","- C192 H343.992 Cu12 N120 O115.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0374","0.0332","","","0.0995","0.1018","","","","","","1.14","","","","has coordinates,has disorder","221838","2020-10-21","18:00:00",""
"4128775","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 Hf6 N12 O32 -","- C120 H60 Hf6 N12 O32 -","- C240 H120 Hf12 N24 O64 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","0.41328","synchrotron","","0.1384","0.0879","","","0.2468","0.3126","","","","","","1.04","","","","has coordinates,has disorder","221839","2020-10-21","18:00:00",""
"4128776","28.6282","0.0014","28.6282","0.0014","25.6439","0.0012","90","","90","","120","","18201.3","1.5","100","2","100.02","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C120 H60 N12 O32 Zr6 -","- C118.5 H60 N12 O32 Zr6 -","- C237 H120 N24 O64 Zr12 -","2","0.0833333","","Zhao, Yanming; Qi, Shibo; Niu, Zheng; Peng, Yunlei; Shan, Chuan; Verma, Gaurav; Wojtas, Lukasz; Zhang, Zhenjie; Zhang, Bao; Feng, Yaqing; Chen, Yu-Sheng; Ma, Shengqian","Robust Corrole-Based Metal-Organic Frameworks with Rare 9-Connected Zr/Hf-Oxo Clusters.","Journal of the American Chemical Society","2019","141","36","14443","14450","10.1021/jacs.9b07700","","","1.54178","CuKα","","0.1144","0.0871","","","0.2788","0.3285","","","","","","1.192","","","","has coordinates,has disorder","221840","2020-10-21","18:00:00",""
"4128777","7.2319","0.0006","16.6606","0.0015","19.395","0.0017","90","","90","","90","","2336.9","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N2 O3 P S -","- C23 H24 F3 N2 O3 P S -","- C92 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0427","0.0339","","","0.0754","0.0796","","","","","","1.015","","","","has coordinates","221841","2020-10-21","18:00:00",""
"4128778","8.7349","0.0007","15.7636","0.0012","19.3258","0.0015","90","","90","","90","","2661","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N2 O3 P S -","- C27 H24 F3 N2 O3 P S -","- C108 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0262","0.0243","","","0.0613","0.0625","","","","","","1.04","","","","has coordinates,has disorder","221842","2020-10-21","18:00:00",""
"4128779","6.4655","0.001","11.5138","0.0018","23.247","0.004","90","","90","","90","","1730.6","0.5","125","2","125","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N O2 S -","- C20 H17 F2 N O2 S -","- C80 H68 F8 N4 O8 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0484","0.0357","","","0.0711","0.0752","","","","","","1.018","","","","has coordinates","221843","2020-10-21","18:00:00",""
"4128780","7.8209","0.0012","14.103","0.002","22.253","0.003","90","","90","","90","","2454.5","0.6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F3 N2 O3 P S3 -","- C23 H20 F3 N2 O3 P S3 -","- C92 H80 F12 N8 O12 P4 S12 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0348","0.03","","","0.0707","0.0731","","","","","","1.024","","","","has coordinates","221844","2020-10-21","18:00:00",""
"4128781","18.3288","0.0013","23.6315","0.0017","20.2841","0.0015","90","","104.271","0.001","90","","8514.7","1.1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C189 H268 Pb4 -","- C189 H268 Pb4 -","- C378 H536 Pb8 -","2","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0489","0.0283","","","0.0576","0.0644","","","","","","1.005","","","","has coordinates,has disorder","221845","2020-10-21","18:00:00",""
"4128782","14.946","0.002","19.052","0.003","28.498","0.004","90","","98.929","0.002","90","","8016","2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H122 Br2 Pb2 -","- C84 H122 Br2 Pb2 -","- C336 H488 Br8 Pb8 -","4","1","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0287","0.0216","","","0.0441","0.0456","","","","","","1.055","","","","has coordinates,has disorder","221846","2020-10-21","18:00:00",""
"4128783","9.1688","0.0008","12.7083","0.0011","13.0164","0.0012","64.295","0.001","81.679","0.001","69.572","0.001","1280.6","0.2","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H74 Pb2 -","- C60 H74 Pb2 -","- C60 H74 Pb2 -","1","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0268","0.0232","","","0.0597","0.0611","","","","","","1.081","","","","has coordinates","221847","2020-10-21","18:00:00",""
"4128784","11.4812","0.0012","25.639","0.003","12.8116","0.0014","90","","114.588","0.0013","90","","3429.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H100 O Pb2 Si2 -","- C70 H100 O Pb2 Si2 -","- C140 H200 O2 Pb4 Si4 -","2","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0174","0.0162","","","0.0408","0.0413","","","","","","1.034","","","","has coordinates,has disorder","221848","2020-10-21","18:00:00",""
"4128785","11.3682","0.0009","12.7595","0.001","12.9493","0.001","94.563","0.0012","103.15","0.001","114.102","0.001","1637.9","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H90 Br2 Pb2 Si2 -","- C66 H90 Br2 Pb2 Si2 -","- C66 H90 Br2 Pb2 Si2 -","1","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0416","0.0402","","","0.1091","0.11","","","","","","1.051","","","","has coordinates","221849","2020-10-21","18:00:00",""
"4128786","20.3372","0.0017","18.4518","0.0014","38.674","0.003","90","","90.3948","0.0015","90","","14512","2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Pb2 -","- C84 H122 Pb2 -","- C672 H976 Pb16 -","8","1","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0734","0.042","","","0.0783","0.0863","","","","","","0.975","","","","has coordinates","221850","2020-10-21","18:00:00",""
"4128787","14.6489","0.0014","26.975","0.003","22.733","0.002","90","","105.484","0.0013","90","","8657","1.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Br2 Pb2 -","- C84 H122 Br2 Pb2 -","- C336 H488 Br8 Pb8 -","4","0.5","","Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.","Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.","Journal of the American Chemical Society","2019","141","36","14370","14383","10.1021/jacs.9b07072","","","0.71073","MoKα","","0.0658","0.0372","","","0.0788","0.0882","","","","","","0.986","","","","has coordinates","221851","2020-10-21","18:00:00",""
"4128788","13.826","0.0005","20.1133","0.0008","20.2739","0.0009","90","","90","","90","","5637.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H96 Cr Li2 O13 Si4 -","- C44 H96 Cr Li2 O13 Si4 -","- C176 H384 Cr4 Li8 O52 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0526","0.0454","","","0.1162","0.1216","","","","","","1.012","","","","has coordinates,has disorder","221852","2020-10-21","18:00:00",""
"4128789","11.1725","0.0004","17.4237","0.0007","18.9652","0.0008","90","","90.838","0.001","90","","3691.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl3 Cr Li5 O9 Si4 -","- C20 H48 Cl3 Cr Li5 O9 Si4 -","- C80 H192 Cl12 Cr4 Li20 O36 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0449","0.0312","","","0.0692","0.0747","","","","","","1.01","","","","has coordinates","221853","2020-10-21","18:00:00",""
"4128790","17.014","0.003","16.181","0.003","18.608","0.004","90","","90","","90","","5122.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H88 Cr Li2 O10 Si4 -","- C40 H88 Cr Li2 O10 Si4 -","- C160 H352 Cr4 Li8 O40 Si16 -","4","0.5","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0458","0.0393","","","0.0965","0.1017","","","","","","1.031","","","","has coordinates","221854","2020-10-21","18:00:00",""
"4128791","13.949","0.003","9.712","0.002","19.552","0.005","90","","110.621","0.004","90","","2479.1","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O4.25 S Si -","- C21 H33 N3 O4.25 S Si -","- C84 H132 N12 O17 S4 Si4 -","4","2","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","0.71073","MoKα","","0.0844","0.0503","","","0.1051","0.1208","","","","","","1.05","","","","has coordinates,has disorder","221855","2020-10-21","18:00:00",""
"4128792","7.9317","0.0005","15.4939","0.0011","13.8939","0.0011","90","","92.123","0.004","90","","1706.3","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H48 N4 O5 S Si -","- C34 H48 N4 O5 S Si -","- C68 H96 N8 O10 S2 Si2 -","2","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0794","0.0665","","","0.1736","0.1861","","","","","","1.067","","","","has coordinates,has disorder","221856","2020-10-21","18:00:00",""
"4128793","7.8618","0.0001","17.7249","0.0003","27.6554","0.0005","90","","90","","90","","3853.77","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 N4 O4 S Si -","- C37 H48 N4 O4 S Si -","- C148 H192 N16 O16 S4 Si4 -","4","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0332","0.0312","","","0.0827","0.0843","","","","","","1.061","","","","has coordinates,has disorder","221857","2020-10-21","18:00:00",""
"4128794","8.1852","0.0002","30.4869","0.0007","31.5036","0.0008","90","","90","","90","","7861.5","0.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N3 O8 -","- C39 H45 N3 O8 -","- C312 H360 N24 O64 -","8","2","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0813","0.0506","","","0.1043","0.1161","","","","","","0.963","","","","has coordinates","221858","2020-10-21","18:00:00",""
"4128795","10.6544","0.0001","15.3909","0.0002","10.7835","0.0001","90","","96.457","0.001","90","","1757.07","0.03","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H47 N3 O9 -","- C39 H47 N3 O9 -","- C78 H94 N6 O18 -","2","1","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0243","0.0243","","","0.0642","0.0643","","","","","","1.029","","","","has coordinates,has disorder","221859","2020-10-21","18:00:00",""
"4128796","6.678","0.0003","9.4722","0.0004","13.577","0.0006","72.958","0.002","83.61","0.002","77.293","0.002","799.99","0.06","100","","99.99","","","","","","","","","3","P -1","-P 1","2","","(3aS*,5aR*,9aR*)-3-acetyl-2-hydroxy-3a,6,6,9a-tetramethyl-1,3a,4,5,5a,6,8,9,9a,9b-decahydro-7H-cyclopenta[a]naphthalen-7-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David","Total Synthesis of Isomalabaricane Triterpenoids.","Journal of the American Chemical Society","2019","141","36","14131","14135","10.1021/jacs.9b08487","","x-ray","0.71073","MoKα","","0.0507","0.0427","","","0.1018","0.1074","","","","","","1.035","","","","has coordinates","221860","2020-10-21","18:00:00",""
"4128797","7.2188","0.0003","10.7692","0.0004","39.2149","0.0014","90","","93.005","0.001","90","","3044.4","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rel-(R)-1-((4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-((triisopropylsilyl)oxy)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)prop-2-yn-1-yl pivalate","","- C31 H54 O3 Si -","- C31 H54 O3 Si -","- C124 H216 O12 Si4 -","4","1","","Boyko, Yaroslav D.; Huck, Christopher J.; Sarlah, David","Total Synthesis of Isomalabaricane Triterpenoids.","Journal of the American Chemical Society","2019","141","36","14131","14135","10.1021/jacs.9b08487","","x-ray","0.71073","MoKα","","0.0688","0.0607","","","0.1733","0.1823","","","","","","1.108","","","","has coordinates,has disorder","221861","2020-10-21","18:00:00",""
"4128798","5.93927","","5.93927","","5.93927","","90","","90","","90","","209.507","","300","","300","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.33318 P Si0.16658 -","- Li9.33272 P4 Si0.66632 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","powder diffraction","neutron","1.54817","ConstantWavelengthNeutronDiffraction","","","","","","","","","9.1189","2.5959","","","","","","","has coordinates","221862","2020-10-21","18:00:00",""
"4128799","5.9253","0.0007","5.9253","0.0007","5.9253","0.0007","90","","90","","90","","208.03","0.04","123","2","123","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.3334 P Si0.1666 -","- Li9.3336 P4 Si0.6664 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","","","0.71073","MoKα","","0.0523","0.041","","","0.0861","0.0907","","","","","","1.182","","","","has coordinates","221863","2020-10-21","18:00:00",""
"4128800","5.91566","0.00006","5.91566","0.00006","5.91566","0.00006","90","","90","","90","","207.019","0.004","4","","4","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Si0.17 -","- Li2.337 P Si0.1668 -","- Li9.348 P4 Si0.6672 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Müller, David; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; Baran, Volodymyr; Senyshyn, Anatoliy; Deringer, Volker L.; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F","Fast Ionic Conductivity in the Most Lithium-Rich Phosphidosilicate Li<sub>14</sub>SiP<sub>6</sub>.","Journal of the American Chemical Society","2019","141","36","14200","14209","10.1021/jacs.9b05301","powder diffraction","neutron","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","11.528","3.6614","","","","","","","has coordinates","221865","2020-10-21","18:00:00",""
"4128801","16.5756","0.0009","15.8984","0.0007","17.2953","0.001","90","","118.081","0.007","90","","4021.2","0.4","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 Fe N8 O12 -","- C38 H32 Cl2 Fe N8 O12 -","- C152 H128 Cl8 Fe4 N32 O48 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0733","0.0445","","","0.1173","0.1289","","","","","","1.055","","","","has coordinates,has disorder","221866","2020-10-21","18:00:00",""
"4128802","16.8192","0.0011","15.8059","0.0008","17.0759","0.0011","90","","117.852","0.008","90","","4013.6","0.5","25","","25","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.1062","0.0655","","","0.1285","0.1489","","","","","","1.037","","","","has coordinates,has disorder","221867","2020-10-21","18:00:00",""
"4128803","16.3409","0.0008","15.5665","0.0005","16.8955","0.0008","90","","117.187","0.006","90","","3822.9","0.4","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 Fe N8 O12 -","- C38 H32 Cl2 Fe N8 O12 -","- C152 H128 Cl8 Fe4 N32 O48 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0688","0.0524","","","0.1352","0.1436","","","","","","1.066","","","","has coordinates","221868","2020-10-21","18:00:00",""
"4128804","16.4896","0.0006","16.0053","0.0004","16.6301","0.0006","90","","116.615","0.005","90","","3924","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0597","0.0465","","","0.1011","0.1086","","","","","","1.062","","","","has coordinates","221869","2020-10-21","18:00:00",""
"4128805","16.5677","0.0003","16.0511","0.0002","16.6587","0.0003","90","","116.445","0.002","90","","3966.5","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.0353","0.0297","","","0.07","0.0728","","","","","","1.024","","","","has coordinates","221870","2020-10-21","18:00:00",""
"4128806","16.876","0.0008","16.172","0.0005","17.2329","0.0008","90","","117.797","0.006","90","","4160.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C36 H26 As2 Cl2 F12 Fe N8 O2 -","- C144 H104 As8 Cl8 F48 Fe4 N32 O8 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Sato, Hiroyasu; Wu, Shu-Qi; Okazawa, Atsushi; Kojima, Norimichi; Yamamoto, Takashi; Einaga, Yasuaki; Hayami, Shinya; Horie, Yusuke; Okajima, Hajime; Sakamoto, Akira; Shiota, Yoshihito; Yoshizawa, Kazunari; Sato, Osamu","Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex.","Journal of the American Chemical Society","2019","141","36","14384","14393","10.1021/jacs.9b07204","","x-ray","0.71073","MoKα","","0.1279","0.0702","","","0.184","0.2157","","","","","","1.046","","","","has coordinates","221871","2020-10-21","18:00:00",""
"4128807","7.6636","0.0002","9.5929","0.0002","10.8499","0.0002","86.249","0.002","76.166","0.002","79.11","0.002","760.39","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0367","0.0357","","","0.0952","0.0961","","","","","","1.048","","","","has coordinates","221872","2020-10-21","18:00:00",""
"4128808","8.3815","0.0002","22.425","0.0002","8.6781","0.0002","90","","117.675","0.002","90","","1444.49","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","1.54184","CuKα","","0.0378","0.0372","","","0.1006","0.1026","","","","","","1.02","","","","has coordinates","221873","2020-10-21","18:00:00",""
"4128809","14.339","0.002","17.764","0.002","18.92","0.003","90","","90","","90","","4819.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 Ir N2 O7 P2 -","- C58 H55 Ir N2 O7 P2 -","- C232 H220 Ir4 N8 O28 P8 -","4","1","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","0.71073","MoKα","","0.0489","0.0377","","","0.0773","0.0806","","","","","","1.024","","","","has coordinates","221874","2020-10-21","18:00:00",""
"4128810","16.136","0.002","17.35","0.002","18.583","0.002","106.541","0.002","105.313","0.002","90.983","0.002","4786.1","1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H230 Au24 N Pt S18 -","- C176 H230 Au24 N Pt S18 -","- C176 H230 Au24 N Pt S18 -","1","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","0.71075","MoKα","","0.045","0.0383","","","0.0693","0.0724","","","","","","1.082","","","","has coordinates,has disorder","221875","2020-10-21","18:00:00",""
"4128811","16.134","0.002","17.69","0.002","17.7811","0.0018","65.139","0.006","64.59","0.007","81.463","0.009","4156","0.9","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","- C158 H178 Au24 Pt S18 -","1","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","0.71075","MoKα","","0.0538","0.0473","","","0.0861","0.0892","","","","","","1.11","","","","has coordinates,has disorder","221876","2020-10-21","18:00:00",""
"4128812","22.837","0.005","34.096","0.007","29.287","0.007","90","","90.867","0.007","90","","22802","9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C208 H298 Au24 N2 Pt S18 -","- C208 H298 Au24 N2 Pt S18 -","- C832 H1192 Au96 N8 Pt4 S72 -","4","0.5","","Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya","Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.","Journal of the American Chemical Society","2019","141","36","14048","14051","10.1021/jacs.9b06254","","","1.54187","CuKα","","0.0701","0.0634","","","0.162","0.1676","","","","","","1.139","","","","has coordinates","221877","2020-10-21","18:00:00",""
"4128813","52.6707","0.0006","18.785","0.0002","17.85193","0.00018","90","","90","","90","","17663","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C100 H120 B6 F24 N26 O6 Zn3 -","- C100 H120 B6 F24 N26 O6 Zn3 -","- C600 H720 B36 F144 N156 O36 Zn18 -","6","1.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.0767","0.0708","","","0.2005","0.207","","","","","","1.05","","","","has coordinates,has disorder","221878","2020-10-21","18:00:00",""
"4128814","51.9276","0.0007","18.8837","0.0002","18.2355","0.0002","90","","90","","90","","17881.5","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C251 H287 B18 F72 N54 O18 Zn9 -","- C251 H287 B18 F72 N54 O18 Zn9 -","- C502 H574 B36 F144 N108 O36 Zn18 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","","0.6889","synchrotron","","0.1384","0.1001","","","0.2847","0.3229","","","","","","1.094","","","","has coordinates,has disorder","221879","2020-10-21","18:00:00",""
"4128815","17.4608","0.001","20.0262","0.0006","17.657","0.0012","90","","113.308","0.007","90","","5670.3","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C98 H114 B3 Co3 F12 N22 O12 -","- C98 H114 B3 Co3 F12 N22 O12 -","- C196 H228 B6 Co6 F24 N44 O24 -","2","0.5","","Zhong, Jiankang; Zhang, Liang; August, David P.; Whitehead, George F. S.; Leigh, David A.","Self-Sorting Assembly of Molecular Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2019","141","36","14249","14256","10.1021/jacs.9b06127","","x-ray","1.54184","CuKα","","0.1383","0.12","","","0.3169","0.3485","","","","","","1.453","","","","has coordinates,has disorder","221880","2020-10-21","18:00:00",""
"4128816","13.0079","0.0006","14.5518","0.0005","18.7581","0.0007","67.779","0.004","76.113","0.004","79.561","0.003","3174.7","0.2","150","2","150.01","0.1","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C48 H24 O6 -","- C48 H24 O6 -","- C96 H48 O12 -","2","1","","Martínez-Abadía, Marta; Stoppiello, Craig T.; Strutynski, Karol; Lerma-Berlanga, Belén; Martí-Gastaldo, Carlos; Saeki, Akinori; Melle-Franco, Manuel; Khlobystov, Andrei N.; Mateo-Alonso, Aurelio","A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2019","141","36","14403","14410","10.1021/jacs.9b07383","","x-ray","1.54184","CuKα","","0.0989","0.0784","","","0.2489","0.2681","","","","","","1.033","","","","has coordinates","221881","2020-10-21","18:00:00",""
"4128817","16.188","0.005","6.624","0.002","13.52","0.006","90","","90","","90","","1449.7","0.9","110","","110","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 H4 Al O7.61 -","- C8 H5 Al O6.998 -","- C32 H20 Al4 O27.992 -","4","0.25","","Chen, Shoushun; Mukherjee, Soumya; Lucier, Bryan E. G.; Guo, Ying; Wong, Y. T. Angel; Terskikh, Victor V.; Zaworotko, Michael J.; Huang, Yining","Cleaving Carboxyls: Understanding Thermally Triggered Hierarchical Pores in the Metal-Organic Framework MIL-121.","Journal of the American Chemical Society","2019","141","36","14257","14271","10.1021/jacs.9b06194","","","0.71073","MoKα","","0.0765","0.0665","","","0.1912","0.1975","","","","","","1.452","","","","has coordinates,has disorder","221882","2020-10-21","18:00:00",""
"4128818","3.8605","0.0002","3.8605","0.0002","15.8008","0.0003","90","","90","","90","","235.487","0.018","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Fe4 N0.42 Se4.48 -","- Fe4 N0.416 Se4.48 -","- Fe4 N0.416 Se4.48 -","1","0.03125","","Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong","Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>.","Journal of the American Chemical Society","2019","141","35","13849","13857","10.1021/jacs.9b05899","","x-ray","0.71069","MoKα","","0.047","0.048","","","0.103","0.103","","","","1.33","1.33","1.33","","","","has coordinates","221883","2020-10-21","18:00:00",""
"4128819","3.8528","0.0002","3.8528","0.0002","15.233","0.0003","90","","90","","90","","226.12","0.017","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe4 N0.48 S0.24 Se4 -","- Fe4 N0.48 S0.24 Se4 -","- Fe4 N0.48 S0.24 Se4 -","1","0.03125","","Sun, Ruijin; Jin, Shifeng; Gu, Lin; Zhang, Qinghua; Huang, Qingzhen; Ying, Tianping; Peng, YiRan; Deng, Jun; Yin, Zhiping; Chen, Xiaolong","Intercalating Anions between Terminated Anion Layers: Unusual Ionic S-Se Bonds and Hole-Doping Induced Superconductivity in S<sub>0.24</sub>(NH<sub>3</sub>)<sub>0.26</sub>Fe<sub>2</sub>Se<sub>2</sub>.","Journal of the American Chemical Society","2019","141","35","13849","13857","10.1021/jacs.9b05899","","x-ray","0.71069","MoKα","","0.0269","0.0267","","","0.068","0.068","","","","1.169","1.169","1.169","","","","has coordinates","221884","2020-10-21","18:00:00",""
"4128820","17.1722","0.0002","6.3329","0.0001","21.8632","0.0003","90","","102.144","0.001","90","","2324.41","0.06","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0432","0.0385","","","0.1026","0.1073","","","","","","1.06","","","","has coordinates","221885","2020-10-21","18:00:00",""
"4128821","16.03406","0.00016","5.88869","0.00005","18.24264","0.00014","90","","91.1868","0.0008","90","","1722.09","0.03","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C35 H49 N O8 -","- C35 H49 N O8 -","- C70 H98 N2 O16 -","2","1","","Shu, Wei; García-Domínguez, Andrés; Quirós, M Teresa; Mondal, Rahul; Cárdenas, Diego J; Nevado, Cristina","Ni-Catalyzed Reductive Dicarbofunctionalization of Nonactivated Alkenes: Scope and Mechanistic Insights.","Journal of the American Chemical Society","2019","141","35","13812","13821","10.1021/jacs.9b02973","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0755","0.0766","","","","","","1.034","","","","has coordinates,has disorder","221886","2020-10-21","18:00:00",""
"4128822","12.0361","0.0004","15.2317","0.0006","16.9141","0.0007","94.8002","0.0015","102.961","0.0014","92.4223","0.0012","3005.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77.88 H69.7 B2 Cl N4 -","- C77.885 H69.705 B2 Cl N4 -","- C155.77 H139.41 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1636","0.0772","","","0.1641","0.2106","","","","","","1.028","","","","has coordinates,has disorder","221887","2020-10-21","18:00:00",""
"4128823","19.5364","0.0005","16.2465","0.0004","18.3739","0.0004","90","","110.386","0.0013","90","","5466.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H55 B2 Cl F4 N4 -","- C66 H55 B2 Cl F4 N4 -","- C264 H220 B8 Cl4 F16 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1076","0.0785","","","0.2048","0.2315","","","","","","1.035","","","","has coordinates,has disorder","221888","2020-10-21","18:00:00",""
"4128824","7.9791","0.0002","13.3099","0.0003","24.0035","0.0005","88.605","0.001","82.443","0.001","87.184","0.001","2523.59","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 B2 Cl F3 N4 -","- C60 H50 B2 Cl F3 N4 -","- C120 H100 B4 Cl2 F6 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1052","0.0748","","","0.2193","0.2504","","","","","","1.028","","","","has coordinates,has disorder","221889","2020-10-21","18:00:00",""
"4128825","14.2653","0.0005","15.3826","0.0005","15.3931","0.0005","96.7682","0.0012","99.396","0.0013","107.461","0.0012","3128.59","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H77 B2 Cl2 N5 -","- C74 H77 B2 Cl2 N5 -","- C148 H154 B4 Cl4 N10 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1109","0.0637","","","0.1326","0.1602","","","","","","1.032","","","","has coordinates,has disorder","221890","2020-10-21","18:00:00",""
"4128826","11.6604","0.0007","15.3379","0.0009","19.2293","0.0011","72.822","0.002","81.704","0.002","86.546","0.002","3250.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H75 B2 Cl N4 -","- C83.5 H75 B2 Cl N4 -","- C167 H150 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1299","0.0741","","","0.1822","0.2207","","","","","","1.033","","","","has coordinates,has disorder","221891","2020-10-21","18:00:00",""
"4128827","19.6907","0.0006","14.3623","0.0003","19.9646","0.0006","90","","98.5582","0.0012","90","","5583.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 B2 Cl F6 N4 O -","- C66 H59 B2 Cl F6 N4 O -","- C264 H236 B8 Cl4 F24 N16 O4 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1436","0.0759","","","0.1394","0.1689","","","","","","1.066","","","","has coordinates,has disorder","221892","2020-10-21","18:00:00",""
"4128828","19.0799","0.0008","16.0622","0.0007","18.6758","0.0007","90","","110.76","0.0018","90","","5351.9","0.4","119","2","119","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B2 Cl3 F5 N4 -","- C61 H50 B2 Cl3 F5 N4 -","- C244 H200 B8 Cl12 F20 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1451","0.0764","","","0.1885","0.2268","","","","","","1.027","","","","has coordinates,has disorder","221893","2020-10-21","18:00:00",""
"4128829","7.9297","0.0003","13.2859","0.0005","23.9485","0.0007","88.5324","0.0011","82.9959","0.0011","87.8142","0.0012","2501.84","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H51 B2 Cl2 F N4 -","- C60 H51 B2 Cl2 F N4 -","- C120 H102 B4 Cl4 F2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1474","0.0711","","","0.149","0.189","","","","","","1.018","","","","has coordinates","221894","2020-10-21","18:00:00",""
"4128830","11.7205","0.0006","28.0408","0.0011","15.0652","0.0006","90","","93.355","0.002","90","","4942.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B2 Cl N4 -","- C60 H53 B2 Cl N4 -","- C240 H212 B8 Cl4 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1508","0.0654","","","0.1448","0.1879","","","","","","1.01","","","","has coordinates,has disorder","221895","2020-10-21","18:00:00",""
"4128831","12.0725","0.0006","15.2456","0.0009","15.3727","0.0009","102.786","0.002","91.599","0.002","93.628","0.002","2751.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.85 H62.7 B2 Cl N4 -","- C70.851 H62.702 B2 Cl N4 -","- C141.702 H125.404 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1069","0.0573","","","0.1141","0.142","","","","","","1.011","","","","has coordinates,has disorder","221896","2020-10-21","18:00:00",""
"4128832","19.3413","0.0004","16.1624","0.0003","18.4816","0.0005","90","","111.136","0.001","90","","5388.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 B2 Cl4 F4 N4 -","- C61 H50 B2 Cl4 F4 N4 -","- C244 H200 B8 Cl16 F16 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1257","0.059","","","0.1274","0.1566","","","","","","1.026","","","","has coordinates,has disorder","221897","2020-10-21","18:00:00",""
"4128833","11.9887","0.0003","13.3305","0.0004","16.2603","0.0005","90.7115","0.001","100.257","0.001","101.531","0.001","2502.4","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H64 B N5 -","- C61 H64 B N5 -","- C122 H128 B2 N10 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.0747","0.0527","","","0.1282","0.1481","","","","","","1.044","","","","has coordinates","221898","2020-10-21","18:00:00",""
"4128834","13.1184","0.0004","13.2082","0.0004","25.291","0.0008","87.7958","0.0017","87.8829","0.0016","89.479","0.0018","4375.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 B2 Cl N4 -","- C54 H47 B2 Cl N4 -","- C216 H188 B8 Cl4 N16 -","4","2","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","1.54178","CuKα","","0.1005","0.0914","","","0.2424","0.2547","","","","","","1.034","","","","has coordinates,has disorder","221899","2020-10-21","18:00:00",""
"4128835","12.2016","0.0011","15.2052","0.0014","17.0465","0.0016","96.263","0.002","97.224","0.002","92.9468","0.0019","3112","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82.5 H71 B2 Cl N4 -","- C82.5 H71 B2 Cl N4 -","- C165 H142 B4 Cl2 N8 -","2","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.2109","0.0932","","","0.2249","0.2743","","","","","","0.981","","","","has coordinates,has disorder","221900","2020-10-21","18:00:00",""
"4128836","16.2643","0.0005","18.3466","0.0005","17.5397","0.0006","90","","99.7639","0.0012","90","","5157.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H55 B2 Cl3 N4 -","- C61 H55 B2 Cl3 N4 -","- C244 H220 B8 Cl12 N16 -","4","1","","Su, Yuanting; Huan Do, Dinh Cao; Li, Yongxin; Kinjo, Rei","Metal-Free Selective Borylation of Arenes by a Diazadiborinine via C-H/C-F Bond Activation and Dearomatization.","Journal of the American Chemical Society","2019","141","35","13729","13733","10.1021/jacs.9b06022","","","0.71073","MoKα","","0.1091","0.0618","","","0.1455","0.179","","","","","","1.036","","","","has coordinates,has disorder","221901","2020-10-21","18:00:00",""
"4128837","6.1503","0.0012","12.927","0.003","21.54","0.004","90","","90.01","0.03","90","","1712.5","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C84 H56 N4 O4 -","2","0.5","","Li, Yusen; Chen, Qing; Xu, Tiantian; Xie, Zhen; Liu, Jingjuan; Yu, Xiang; Ma, Shengqian; Qin, Tianshi; Chen, Long","De Novo Design and Facile Synthesis of 2D Covalent Organic Frameworks: A Two-in-One Strategy.","Journal of the American Chemical Society","2019","141","35","13822","13828","10.1021/jacs.9b03463","","","0.71073","MoKα","","0.1589","0.083","","","0.179","0.2174","","","","","","0.951","","","","has coordinates","221902","2020-10-21","18:00:00",""
"4128838","12.73","0.0009","8.7313","0.0006","20.2583","0.0014","90","","94.11","0.004","90","","2245.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KO001","","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C112 H140 N4 O16 -","4","1","","Owens, Kyle R.; McCowen, Shelby V.; Blackford, Katherine A.; Ueno, Sohei; Hirooka, Yasuo; Weber, Manuel; Sarpong, Richmond","Total Synthesis of the Diterpenoid Alkaloid Arcutinidine Using a Strategy Inspired by Chemical Network Analysis.","Journal of the American Chemical Society","2019","141","35","13713","13717","10.1021/jacs.9b05815","","","0.71073","MoKα","","0.0523","0.0462","","","0.1205","0.1255","","","","","","1.046","","","","has coordinates","221903","2020-10-21","18:00:00",""
"4128839","19.4305","0.0017","11.3245","0.0011","9.1511","0.0009","90","","95.302","0.005","90","","2005","0.3","298","","298","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","8.603","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128840","8.2116","0.0011","11.5104","0.0014","11.8746","0.0018","102.001","0.01","105.368","0.011","102.349","0.009","1014.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.2542","0.1506","","","0.3149","0.3669","","","","","","1.027","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128841","7.7119","0.0014","8.9111","0.0017","14.617","0.002","81.906","0.013","78.799","0.014","75.258","0.015","948.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0701","0.0598","","","0.1348","0.1421","","","","","","1.139","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128842","18.9981","0.0011","9.8532","0.0006","21.8829","0.0013","90","","113.219","0.003","90","","3764.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0541","0.0416","","","0.0947","0.1011","","","","","","1.032","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128843","8.2599","0.0003","19.6072","0.0014","12.6913","0.0006","90","","116.545","0.002","90","","1838.73","0.17","298","2","298","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","","","","","","","","","","","","2.783","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128844","10.727","0.0003","14.4711","0.0005","12.705","0.0004","90","","107.112","0.0017","90","","1884.91","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0632","0.0521","","","0.1391","0.1489","","","","","","1.088","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128845","8.134","0.002","12.62","0.004","18.059","0.003","86.707","0.019","100.094","0.015","83.303","0.019","1806.9","0.8","298","","298","2","","","","","","","see text","4","P -1","-P 1","2","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","4.23","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128846","8.5537","0.0002","11.3718","0.0004","11.5674","0.0005","65.784","0.003","105.495","0.003","77.315","0.002","916.89","0.07","298","","298","","","","","","","","see text","4","P -1","-P 1","2","TGF Beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C44 H38 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","x-ray","1.54081","CuKα~1~","","","","","","","","","","3.164","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128847","11.3011","0.0003","20.8473","0.0005","8.10637","0.00017","90","","98.879","0.002","90","","1886.95","0.08","298","","298","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","powder diffraction","","1.5418","","","","","","","","","","","3.86","","","","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128848","27.938","0.004","8.0817","0.0007","22.004","0.003","90","","133.55","0.03","90","","3601","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","x-ray","1.54184","CuKα","","0.1078","0.0681","","","0.1535","0.1761","","","","","","1.068","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128849","27.654","0.013","8.108","0.008","21.934","0.011","90","","133.41","0.08","90","","3573","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C176 H152 N40 O8 -","8","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","x-ray","0.4859","Synchrotron","","0.2209","0.1157","","","0.2699","0.35","","","","","","1.105","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128850","8.0458","0.0004","22.6024","0.001","11.2097","0.0005","90","","106.274","0.002","90","","1956.85","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N5 O2 -","- C23 H23 N5 O2 -","- C92 H92 N20 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0501","0.0468","","","0.121","0.1247","","","","","","1.075","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128851","8.082","0.0004","9.258","0.0004","15.525","0.0007","73.338","0.002","89.974","0.002","84.594","0.002","1107.48","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C24 H25 N5 O2 -","- C24 H25 N5 O2 -","- C48 H50 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0474","0.0431","","","0.1094","0.113","","","","","","1.004","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128852","9.0505","0.0007","11.3624","0.0009","19.1323","0.0016","90","","94.954","0.003","90","","1960.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N5 O2 -","- C22 H21 N5 O2 -","- C88 H84 N20 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","0.71073","MoKα","","0.0916","0.063","","","0.1317","0.1437","","","","","","1.035","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128853","7.772","0.0011","11.8319","0.0018","12.8267","0.0017","89.03","0.009","74.293","0.008","82.225","0.01","1124.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C50 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0927","0.0576","","","0.1152","0.128","","","","","","1.041","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128854","8.1145","0.0008","12.0611","0.0013","12.5401","0.0013","88.454","0.005","79.842","0.004","76.813","0.005","1176.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0454","0.0416","","","0.1053","0.1083","","","","","","1.012","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128855","8.1676","0.0002","11.9112","0.0003","12.7014","0.0003","89.4745","0.0011","81.236","0.0014","75.9211","0.0011","1184.05","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","TGF beta","","","- C26 H29 N5 O2 -","- C26 H29 N5 O2 -","- C52 H58 N10 O4 -","2","2","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0544","0.0486","","","0.1258","0.1324","","","","","","0.997","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128856","8.0879","0.0006","12.3578","0.0009","12.8909","0.0009","85.722","0.003","77.875","0.003","74.707","0.003","1214.83","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C27 H31 N5 O2 -","- C27 H31 N5 O2 -","- C54 H62 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0405","0.0369","","","0.0908","0.0934","","","","","","1.006","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128857","10.6011","0.0008","11.6654","0.0009","12.5667","0.0009","69.035","0.003","86.603","0.002","81.573","0.002","1435.49","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C30 H35 N5 O5 -","- C30 H35 N5 O5 -","- C60 H70 N10 O10 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0364","0.0349","","","0.0871","0.0882","","","","","","1.006","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128858","7.7332","0.0003","11.4956","0.0004","12.1986","0.0004","85.299","0.002","84.505","0.002","85.518","0.002","1073.11","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C24 H25 N5 O3 -","- C24 H25 N5 O3 -","- C48 H50 N10 O6 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0451","0.0378","","","0.0925","0.0968","","","","","","1.019","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128859","8.6946","0.0004","10.964","0.0004","12.9344","0.0005","77.737","0.0016","88.5612","0.0017","79.1558","0.0019","1183.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C26 H28 N6 O2 -","- C26 H28 N6 O2 -","- C52 H56 N12 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0695","0.0654","","","0.1692","0.1772","","","","","","1.08","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128860","8.3929","0.0007","11.7452","0.0009","12.0347","0.001","92.483","0.003","106.415","0.004","97.071","0.004","1125.52","0.16","101","2","101","2","","","","","","","","4","P -1","-P 1","2","TGF Beta","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C52 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0533","0.0453","","","0.1267","0.1306","","","","","","1.625","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128861","8.4961","0.0008","10.3766","0.001","12.7043","0.0012","103.239","0.005","91.904","0.005","94.505","0.005","1085.37","0.18","101","2","101","2","","","","","","","","5","P -1","-P 1","2","TGF beta","","","- C23 H21 Cl2 N5 O -","- C23 H21 Cl2 N5 O -","- C46 H42 Cl4 N10 O2 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0667","0.0538","","","0.1286","0.1378","","","","","","1.028","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128862","9.8533","0.0007","11.2079","0.0006","11.5743","0.0006","101.869","0.002","105.813","0.002","105.56","0.002","1129.91","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C52 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0534","0.0474","","","0.117","0.1215","","","","","","1.038","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128863","8.184","0.0008","12.0219","0.0012","12.6533","0.0012","89.543","0.006","81.238","0.006","75.349","0.006","1189.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N5 O2 -","- C26 H28 N5 O2 -","- C52 H56 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1551","0.1397","","","0.3933","0.4038","","","","","","1.083","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128864","8.11","0.0004","11.6569","0.0006","12.7599","0.0006","90.026","0.004","99.248","0.004","101.238","0.004","1167.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N5 O2 -","- C24 H25 N5 O2 -","- C48 H50 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1131","0.0807","","","0.187","0.2116","","","","","","1.051","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128865","9.5331","0.0011","10.9792","0.0013","11.6291","0.0017","66.668","0.012","65.944","0.008","78.915","0.009","1019.9","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N5 O3 -","- C24 H23 N5 O3 -","- C48 H46 N10 O6 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1389","0.087","","","0.2063","0.2361","","","","","","0.958","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128866","8.048","0.0008","11.4825","0.0013","12.8727","0.0013","89.28","0.007","80.416","0.007","79.313","0.007","1152.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H24 N5 O2 -","- C50 H48 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.1615","0.1247","","","0.3621","0.3839","","","","","","1.35","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128867","8.5823","0.0011","11.0257","0.0018","12.7778","0.0016","101.925","0.012","92.429","0.011","97.579","0.012","1169.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TGF beta","","","- C27 H28 N5 O2 -","- C27 H27 N5 O2 -","- C54 H54 N10 O4 -","2","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.2279","0.1326","","","0.3086","0.3683","","","","","","1.044","","","","has coordinates","221904","2020-10-21","18:00:00",""
"4128868","12.1495","0.0014","8.4511","0.0009","20.111","0.002","90","","93.551","0.007","90","","2061","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C26 H27 N5 O2 -","- C24 H22 N5 O1.5 -","- C96 H88 N20 O6 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0581","0.0412","","","0.0769","0.0884","","","","","","0.616","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128869","9.966","0.0006","33.73","0.002","7.3404","0.0005","90","","106.892","0.002","90","","2361","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TGF beta","","","- C27 H28 N6 O2 -","- C27 H28 N6 O2 -","- C108 H112 N24 O8 -","4","1","","Bhardwaj, Rajni M.; McMahon, Jennifer A.; Nyman, Jonas; Price, Louise S.; Konar, Sumit; Oswald, Iain D. H.; Pulham, Colin R.; Price, Sarah L.; Reutzel-Edens, Susan M","A Prolific Solvate Former, Galunisertib, under the Pressure of Crystal Structure Prediction, Produces Ten Diverse Polymorphs.","Journal of the American Chemical Society","2019","141","35","13887","13897","10.1021/jacs.9b06634","","","1.54178","CuKα","","0.0441","0.0423","","","0.1065","0.1076","","","","","","1.125","","","","has coordinates,has disorder","221904","2020-10-21","18:00:00",""
"4128870","7.2979","0.0002","12.0524","0.0004","23.9963","0.0008","90","","90","","90","","2110.65","0.11","170","2","169.94","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C100 H140 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0605","0.0532","","","0.1465","0.1535","","","","","","1.069","","","","has coordinates","221905","2020-10-21","18:00:00",""
"4128871","11.5553","0.0005","21.4201","0.0009","26.2735","0.0012","90","","90","","90","","6503.1","0.5","170","2","169.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C300 H420 N12 O36 -","12","3","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.1252","0.1","","","0.2648","0.2954","","","","","","1.13","","","","has coordinates,has disorder","221906","2020-10-21","18:00:00",""
"4128872","7.1018","0.0002","13.3284","0.0003","17.4801","0.0004","90","","90","","90","","1654.59","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0284","0.0276","","","0.0702","0.0708","","","","","","1.084","","","","has coordinates","221907","2020-10-21","18:00:00",""
"4128873","7.3364","0.0001","11.6884","0.0002","23.7649","0.0004","90","","90","","90","","2037.86","0.06","170","2","170.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0509","0.0382","","","0.078","0.0846","","","","","","1.091","","","","has coordinates","221908","2020-10-21","18:00:00",""
"4128874","7.644","0.0001","13.4193","0.0003","14.4712","0.0003","90","","90","","90","","1484.41","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0375","0.0356","","","0.092","0.094","","","","","","1.044","","","","has coordinates","221909","2020-10-21","18:00:00",""
"4128875","12.1921","0.0003","15.8104","0.0004","17.6415","0.0004","90","","90","","90","","3400.61","0.14","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H28 N O2.5 -","- C20 H28 N O2.5 -","- C160 H224 N8 O20 -","8","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0449","0.0398","","","0.0979","0.1024","","","","","","1.064","","","","has coordinates","221910","2020-10-21","18:00:00",""
"4128876","12.9425","0.0012","8.5046","0.0008","19.818","0.002","90","","96.031","0.01","90","","2169.3","0.4","292.9","0.1","292.9","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.25 H20.5 F2 N2 O5 -","- C23.25 H20.5 F2 N2 O5 -","- C93 H82 F8 N8 O20 -","4","1","","Wang, Xin-Gang; Li, Yuke; Liu, Hong-Chao; Zhang, Bo-Sheng; Gou, Xue-Ya; Wang, Qiang; Ma, Jun-Wei; Liang, Yong-Min","Three-Component Ruthenium-Catalyzed Direct <i>Meta-</i>Selective C-H Activation of Arenes: A New Approach to the Alkylarylation of Alkenes.","Journal of the American Chemical Society","2019","141","35","13914","13922","10.1021/jacs.9b06608","","x-ray","0.71073","MoKα","","0.2073","0.0861","","","0.187","0.2538","","","","","","1.047","","","","has coordinates,has disorder","221911","2020-10-21","18:00:00",""
"4128877","21.47","0.011","12.655","0.007","7.559","0.004","90","","90","","90","","2053.8","1.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H38 N3 Sc -","- C19 H38 N3 Sc -","- C76 H152 N12 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0967","0.0832","","","0.2017","0.2159","","","","","","1.055","","","","has coordinates","221912","2020-10-21","18:00:00",""
"4128878","9.9815","0.0005","40.493","0.002","15.7504","0.0008","90","","91.391","0.001","90","","6364.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H55 Al4 Sc3 -","- C19 H55 Al4 Sc3 -","- C152 H440 Al32 Sc24 -","8","2","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.061","0.0402","","","0.0906","0.1019","","","","","","1.026","","","","has coordinates,has disorder","221913","2020-10-21","18:00:00",""
"4128879","11.21","0.02","14.35","0.03","14.56","0.03","84.12","0.02","89.11","0.02","88.79","0.05","2329","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 Al Sc -","- C24 H42 Al Sc -","- C96 H168 Al4 Sc4 -","4","2","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0867","0.0516","","","0.1113","0.1265","","","","","","1.014","","","","has coordinates","221914","2020-10-21","18:00:00",""
"4128880","14.335","0.002","16.914","0.003","54.801","0.008","90","","90","","90","","13287","4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Al2 Sc -","- C18 H39 Al2 Sc -","- C432 H936 Al48 Sc24 -","24","6","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.1479","0.1006","","","0.2019","0.2232","","","","","","1.098","","","","has coordinates","221915","2020-10-21","18:00:00",""
"4128881","7.3336","0.0004","19.8137","0.001","17.4587","0.0008","90","","95.903","0.001","90","","2523.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H45 Al4 Sc -","- C15 H45 Al4 Sc -","- C60 H180 Al16 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0494","0.0389","","","0.1091","0.1181","","","","","","1.03","","","","has coordinates","221916","2020-10-21","18:00:00",""
"4128882","7.43535","0.00011","12.70493","0.00017","15.2334","0.0002","90","","90","","90","","1439.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0614","0.0617","","","","","","1.049","","","","has coordinates","221917","2020-10-21","18:00:00",""
"4128883","9.81945","0.0001","10.42071","0.00011","15.41623","0.00015","90","","90","","90","","1577.48","0.03","100.2","0.4","100.2","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 O2 -","- C19 H17 F3 O2 -","- C76 H68 F12 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.022","0.0219","","","0.0572","0.0573","","","","","","1.019","","","","has coordinates","221918","2020-10-21","18:00:00",""
"4128884","43.4917","0.0016","43.4917","0.0016","43.4917","0.0016","90","","90","","90","","82266","5","298","2","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H160 N20 O60 Zn21 -","- C312 H160 N20 O60 Zn21 -","- C936 H480 N60 O180 Zn63 -","3","0.0625","","Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai","Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","35","13841","13848","10.1021/jacs.9b05580","","x-ray","0.71073","MoKα","","0.1647","0.0819","","","0.1807","0.2106","","","","","","1.084","","","","has coordinates","221919","2020-10-21","18:00:00",""
"4128885","27.4034","0.0007","27.4034","0.0007","27.4034","0.0007","90","","90","","90","","20578.5","0.9","110","","110","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C128 H80 N4 O32 Zr6 -","- C128 H80 N4 O32 Zr6 -","- C384 H240 N12 O96 Zr18 -","3","0.0625","","Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai","Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","35","13841","13848","10.1021/jacs.9b05580","","x-ray","1.54178","CuKα","","0.196","0.1119","","","0.3075","0.3482","","","","","","1.01","","","","has coordinates,has disorder","221920","2020-10-21","18:00:00",""
"4128886","9.9111","0.0002","19.1719","0.0004","24.772","0.0005","90","","90","","90","","4707.04","0.17","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H32 F N S -","- C27 H32 F N S -","- C216 H256 F8 N8 S8 -","8","1","","Roth, Aaron; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed, Intermolecular Sulfenoamination of Alkenes.","Journal of the American Chemical Society","2019","141","35","13767","13771","10.1021/jacs.9b07019","","","1.54178","CuKα","","0.0232","0.0232","","","0.062","0.0621","","","","","","1.075","","","","has coordinates,has disorder","221921","2020-10-21","18:00:00",""
"4128887","17.9066","0.00004","17.9066","0.00004","13.218","0.00006","90","","90","","120","","3670.48","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H102 Ba Cu6 N6 O56 S3 -","- C30 H18 Ba Cu6 N6 O42 S3 -","- C60 H36 Ba2 Cu12 N12 O84 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.6889","Synchrotron","","0.0821","0.0601","","","0.177","0.1897","","","","","","0.944","","","","has coordinates,has disorder","221922","2020-10-21","18:00:00",""
"4128888","17.969","0.004","17.969","0.004","12.949","0.004","90","","90","","120","","3620.9","1.6","296","2","296","2","","","","","","","","9","P 63","P 6c","173","","","","- C42 H70 Ca Cl3 Cu6 Hg N7 O30 S4 -","- C41.9988 H21 Ca Cl1.9998 Cu6 Hg0.9999 N6.9999 O30 S3.9999 -","- C83.9976 H42 Ca2 Cl3.9996 Cu12 Hg1.9998 N13.9998 O60 S7.9998 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.112","0.0826","","","0.2409","0.2735","","","","","","1.032","","","","has coordinates","221923","2020-10-21","18:00:00",""
"4128889","17.7932","0.0012","17.7932","0.0012","12.7581","0.0008","90","","90","","120","","3498","0.4","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C30 H100 Ca Cu6 N6 O55 S3 -","- C30 H33 Ca Cu6 N6 O37.5 S3 -","- C60 H66 Ca2 Cu12 N12 O75 S6 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Tiburcio, Estefania; Viciano-Chumillas, Marta; Kalinke, Lucas H. G.; Ferrando-Soria, Jesús; Armentano, Donatella; Pardo, Emilio","Multivariate Metal-Organic Frameworks for the Simultaneous Capture of Organic and Inorganic Contaminants from Water.","Journal of the American Chemical Society","2019","141","34","13601","13609","10.1021/jacs.9b06250","","","0.71073","MoKα","","0.0704","0.0601","","","0.1831","0.1923","","","","","","1.058","","","","has coordinates","221924","2020-10-21","18:00:00",""
"4128890","10.1878","0.0016","7.9625","0.0015","19.59","0.003","90","","99.557","0.007","90","","1567.1","0.5","149","2","149","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","2","","Glachet, Thomas; Marzag, Hamid; Saraiva Rosa, Nathalie; Colell, Johannes F. P.; Zhang, Guannan; Warren, Warren S.; Franck, Xavier; Theis, Thomas; Reboul, Vincent","Iodonitrene in Action: Direct Transformation of Amino Acids into Terminal Diazirines and <sup>15</sup>N<sub>2</sub>-Diazirines and Their Application as Hyperpolarized Markers.","Journal of the American Chemical Society","2019","141","34","13689","13696","10.1021/jacs.9b07035","","","0.71073","MoKα","","0.1439","0.0778","","","0.1634","0.1944","","","","","","1.024","","","","has coordinates","221925","2020-10-21","18:00:00",""
"4128891","22.6783","0.001","19.0664","0.0008","27.5418","0.0011","90","","106.247","0.002","90","","11433.3","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C125.82 H130.19 B Cl2.45 Fe4 N3 O1.27 P3 S4 -","- C125.816 H130.176 B Cl2.456 Fe4 N3 O1.272 P3 S4 -","- C503.264 H520.704 B4 Cl9.824 Fe16 N12 O5.088 P12 S16 -","4","1","","Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.","A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates.","Journal of the American Chemical Society","2019","141","34","13330","13335","10.1021/jacs.9b06975","","","0.71073","MoKα","","0.094","0.0527","","","0.1277","0.153","","","","","","1.012","","","","has coordinates,has disorder","221926","2020-10-21","18:00:00",""
"4128892","16.597","0.004","30.822","0.008","22.933","0.006","90","","95.023","0.008","90","","11686","5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H141 B Fe4 N3 O2 P3 S4 -","- C130 H141 B Fe4 N3 O2 P3 S4 -","- C520 H564 B4 Fe16 N12 O8 P12 S16 -","4","1","","Ye, Mengshan; Thompson, Niklas B.; Brown, Alexandra C.; Suess, Daniel L. M.","A Synthetic Model of Enzymatic [Fe<sub>4</sub>S<sub>4</sub>]-Alkyl Intermediates.","Journal of the American Chemical Society","2019","141","34","13330","13335","10.1021/jacs.9b06975","","","0.71073","MoKα","","0.0915","0.0493","","","0.1079","0.1268","","","","","","1.04","","","","has coordinates,has disorder","221927","2020-10-21","18:00:00",""
"4128893","44.713","0.003","44.713","0.003","47.217","0.005","90","","90","","120","","81752","12","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C80 H183 Mo2 N5 O60 Te W16 -","- C23.175 Mo1.9998 N2.475 O60 Te W16.0002 -","- C556.2 Mo47.9952 N59.4 O1440 Te24 W384.005 -","24","1.33333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.143","0.0772","","","0.2088","0.2747","","","","","","1.075","","","","has coordinates","221928","2020-10-21","18:00:00",""
"4128894","20.577","0.002","21.446","0.002","25.391","0.003","90","","90","","90","","11205","2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C22 H119 Mo3 N11 Na O96 Se2 W21 -","- C8.7 Mo3 N4.5 Na0.4 O85.7 Se2 W21 -","- C34.8 Mo12 N18 Na1.6 O342.8 Se8 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0966","0.0754","","","0.1888","0.2179","","","","","","1.258","","","","has coordinates,has disorder","221929","2020-10-21","18:00:00",""
"4128895","35.244","0.002","21.9528","0.0013","15.0516","0.0008","90","","90","","90","","11645.5","1.1","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H113 Mo3 N10 Na2 O96 P2 W21 -","- C3.9 Mo3 N2.9 Na1.4 O96.5 P2.14 W20.79 -","- C15.6 Mo12 N11.6 Na5.6 O386 P8.56 W83.16 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1443","0.1167","","","0.2465","0.2791","","","","","","1.193","","","","has coordinates,has disorder","221930","2020-10-21","18:00:00",""
"4128896","35.22","0.003","22.1684","0.0019","15.0386","0.0011","90","","90","","90","","11741.7","1.7","150","2","150","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C22 H120 Mo3 N11 Na O96 P Te W21 -","- C14.4 H Mo3 N9.2 Na O95.2 P Te W21 -","- C57.6 H4 Mo12 N36.8 Na4 O380.8 P4 Te4 W84 -","4","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.12","0.1084","","","0.2465","0.2562","","","","","","1.203","","","","has coordinates,has disorder","221931","2020-10-21","18:00:00",""
"4128897","21.1678","0.0009","21.1678","0.0009","15.6954","0.0014","90","","90","","120","","6090.5","0.7","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H79 Mo2 N7 O70 Te W16 -","- C7.2 Mo1.9998 N3.6 O62.4 Te W16.0002 -","- C21.6 Mo5.9994 N10.8 O187.2 Te3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0525","0.0399","","","0.1108","0.1234","","","","","","1.237","","","","has coordinates","221932","2020-10-21","18:00:00",""
"4128898","21.169","0.0009","21.169","0.0013","15.8379","0.0012","90","","90","","120","0.015","6146.5","1.1","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H79 Mo2 N7 O70 Se W16 -","- C9.6 Mo1.9998 N4.8 O66.6 Se W16.0002 -","- C28.8 Mo5.9994 N14.4 O199.8 Se3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0563","0.039","","","0.0895","0.101","","","","","","1.121","","","","has coordinates,has disorder","221933","2020-10-21","18:00:00",""
"4128899","22.557","0.0018","22.557","0.0018","22.557","0.0018","90","","90","","90","","11477.4","1.6","150","2","150","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","","","","- C20 H112 Mo2 N10 Na O96 P Se W22 -","- C4.8 Mo1.98 N2.4 O83 P Se W22.02 -","- C19.2 Mo7.92 N9.6 O332 P4 Se4 W88.08 -","4","0.166667","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.1004","0.0794","","","0.2043","0.2389","","","","","","1.214","","","","has coordinates,has disorder","221934","2020-10-21","18:00:00",""
"4128900","21.5987","0.001","21.5987","0.001","13.9195","0.0015","90","","90","","120","","5623.5","0.7","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H90 Mo2 N7 O75 P W16 -","- C8.4 H Mo1.9998 N4.2 O62.76 P W16.0002 -","- C25.2 H3 Mo5.9994 N12.6 O188.28 P3 W48.0006 -","3","0.0833333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.072","0.0487","","","0.1238","0.1368","","","","","","1.118","","","","has coordinates","221936","2020-10-21","18:00:00",""
"4128901","21.7592","0.0018","26.906","0.002","25.728","0.002","90","","90","","90","","15063","2","150","2","150","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H161 Mo4 N16 O117 P3 W26 -","- C12 Mo4 N7.2 O109.8 P3 W26 -","- C48 Mo16 N28.8 O439.2 P12 W104 -","4","0.25","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0766","0.0514","","","0.1393","0.1804","","","","","","1.184","","","","has coordinates,has disorder","221937","2020-10-21","18:00:00",""
"4128902","17.7735","0.0013","20.1721","0.0014","22.3319","0.0016","99.133","0.004","102.654","0.004","96.166","0.004","7628.6","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H291 Mo4 N30 Na O251 Se7 W62 -","- C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001 -","- C27.4 Mo3.999 N14.1 Na O251 Se7 W62.001 -","1","0.5","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0903","0.0569","","","0.1465","0.1755","","","","","","1.095","","","","has coordinates,has disorder","221938","2020-10-21","18:00:00",""
"4128903","9.9636","0.001","12.7003","0.0013","13.9821","0.0015","80.831","0.004","69.746","0.004","70.594","0.003","1563.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 B F4 Fe O4 P -","- C33 H40 B F4 Fe O4 P -","- C66 H80 B2 F8 Fe2 O8 P2 -","2","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.176","0.1411","","","0.3506","0.3753","","","","","","1.026","","","","has coordinates,has disorder","221939","2020-10-21","18:00:00",""
"4128904","13.826","0.0009","16.6549","0.0009","17.2897","0.0011","90","","90","","90","","3981.3","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B F4 Fe O2 P -","- C19 H22 B F4 Fe O2 P -","- C152 H176 B8 F32 Fe8 O16 P8 -","8","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.0511","0.0378","","","0.0966","0.1033","","","","","","1.066","","","","has coordinates","221940","2020-10-21","18:00:00",""
"4128905","8.605","0.004","19.697","0.007","30.793","0.012","90","","90","","90","","5219","4","100","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C216 H252 N12 O72 -","12","3","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","","0.0588","0.0467","","","0.1095","0.1161","","","","","","1.024","","","","has coordinates,has disorder","221941","2020-10-21","18:00:00",""
"4128906","9.094","0.003","7.248","0.002","11.749","0.003","90","","96.62","0.02","90","","769.3","0.4","100","","100.02","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 I N2 O4 -","- C16 H15 I N2 O4 -","- C32 H30 I2 N4 O8 -","2","1","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","K-L~3~","0.0207","0.0196","","","0.0472","0.0474","","","","","","1.074","","","","has coordinates","221942","2020-10-21","18:00:00",""
"4128907","30.977","0.009","20.52","0.006","22.213","0.006","90","","90","","90","","14120","7","100","2","100.21","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.295","0.2062","","","0.5","0.5454","","","","","","1.947","","","","has coordinates","221943","2020-10-21","18:00:00",""
"4128908","31.4535","0.0018","19.638","0.0012","21.9912","0.0013","90","","90","","90","","13583.6","1.4","100","2","100.04","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C64 Cl22 N16 Ni14 O47 Zr6 -","- C128 Cl44 N32 Ni28 O94 Zr12 -","2","0.25","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1758","0.1463","","","0.4141","0.4454","","","","","","1.925","","","","has coordinates","221944","2020-10-21","18:00:00",""
"4128909","31.698","0.007","18.59","0.004","22.055","0.004","90","","90","","90","","12996","5","101","2","100.76","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C32 H16 Br5 N8 Ni3 O26 Zr3 -","- C128 H64 Br20 N32 Ni12 O104 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.2384","0.1587","","","0.3818","0.4241","","","","","","1.328","","","","has coordinates","221945","2020-10-21","18:00:00",""
"4128910","31.368","0.003","19.703","0.0016","22.4548","0.0019","90","","90","","90","","13878","2","100","2","99.99","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C32 H16 N8 O16 Zr3 -","- C32 H16 N8 O16 Zr3 -","- C128 H64 N32 O64 Zr12 -","4","0.5","","Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai","Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.","Journal of the American Chemical Society","2019","141","34","13654","13663","10.1021/jacs.9b06711","","","1.54184","CuKα","","0.1313","0.1077","","","0.2728","0.2952","","","","","","1.065","","","","has coordinates","221946","2020-10-21","18:00:00",""
"4128911","13.5456","0.0005","35.6442","0.0011","15.5089","0.0005","90","","107.09","0.002","90","","7157.4","0.4","170","2","169.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C87 H88 O11 -","- C87 H88 O11 -","- C348 H352 O44 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.1215","0.0972","","","0.2371","0.2564","","","","","","0.91","","","","has coordinates","221947","2020-10-21","18:00:00",""
"4128912","13.7735","0.0002","34.9942","0.0006","15.597","0.0002","90","","107.447","0.001","90","","7171.79","0.19","170","2","169.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C85 H80 O10 -","- C85 H80 O10 -","- C340 H320 O40 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.0909","0.0746","","","0.2012","0.217","","","","","","1.052","","","","has coordinates","221948","2020-10-21","18:00:00",""
"4128913","13.9839","0.0003","35.7918","0.0007","15.4191","0.0003","90","","108.881","0.001","90","","7302.1","0.3","170","2","169.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C87 H86 O10 -","- C87 H86 O10 -","- C348 H344 O40 -","4","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","1.34139","GaKα","","0.1533","0.0984","","","0.2711","0.3177","","","","","","1.051","","","","has coordinates","221949","2020-10-21","18:00:00",""
"4128914","12.7437","0.0004","31.7874","0.0007","32.5089","0.001","90","","90","","90","","13169","0.6","170.15","","170.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H62 O10 -","- C81 H62 O10 -","- C648 H496 O80 -","8","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","0.71073","MoKα","","0.1251","0.0957","","","0.2515","0.2745","","","","","","1.143","","","","has coordinates,has disorder","221950","2020-10-21","18:00:00",""
"4128915","9.5103","0.0006","34.984","0.002","21.4829","0.0014","90","","101.519","0.0017","90","","7003.6","0.8","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H76 O5 S Si3 -","- C40 H76 O5 S Si3 -","- C240 H456 O30 S6 Si18 -","6","3","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.1204","0.0926","","","0.2484","0.2724","","","","","","1.036","","","","has coordinates,has disorder","221951","2020-10-21","18:00:00",""
"4128916","7.048","0.0003","10.4797","0.0005","18.4167","0.001","90","","97.094","0.002","90","","1349.86","0.11","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0346","0.0322","","","0.0835","0.0852","","","","","","1.072","","","","has coordinates","221952","2020-10-21","18:00:00",""
"4128917","5.843","0.0004","10.9977","0.0008","17.5865","0.0012","90","","90","","90","","1130.1","0.14","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O S -","- C12 H18 O S -","- C48 H72 O4 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0251","0.0225","","","0.0569","0.058","","","","","","1.066","","","","has coordinates","221953","2020-10-21","18:00:00",""
"4128918","7.6475","0.0004","8.1332","0.0004","13.0597","0.0006","105.357","0.001","102.201","0.002","97.465","0.001","750.56","0.06","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C32 H30 N2 O8 S2 -","2","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0368","0.0323","","","0.0821","0.0846","","","","","","1.041","","","","has coordinates,has disorder","221954","2020-10-21","18:00:00",""
"4128919","8.6617","0.0004","9.6496","0.0004","22.5991","0.0009","90","","90","","90","","1888.88","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0334","0.0308","","","0.079","0.0809","","","","","","1.034","","","","has coordinates","221955","2020-10-21","18:00:00",""
"4128920","6.1911","0.0005","7.129","0.0004","12.2554","0.0008","90","","104.026","0.007","90","","524.78","0.06","150","2","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 O3 -","- C5 H6 O3 -","- C20 H24 O12 -","4","1","","McGuire, Thomas M.; Pérale, Cécile; Castaing, Rémi; Kociok-Köhn, Gabriele; Buchard, Antoine","Divergent Catalytic Strategies for the <i>Cis</i>/<i>Trans</i> Stereoselective Ring-Opening Polymerization of a Dual Cyclic Carbonate/Olefin Monomer.","Journal of the American Chemical Society","2019","141","34","13301","13305","10.1021/jacs.9b06259","","x-ray","1.54184","CuKα","","0.0373","0.0341","","","0.0937","0.0967","","","","","","1.067","","","","has coordinates","221956","2020-10-21","18:00:00",""
"4128921","8.169","0.002","23.029","0.006","12.208","0.003","90","","91.379","0.004","90","","2296","1","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 Fe O6 -","- C26 H32 Fe O6 -","- C104 H128 Fe4 O24 -","4","2","","Burns, Alexander S.; Rychnovsky, Scott D.","Total Synthesis and Structure Revision of (-)-Illisimonin A, a Neuroprotective Sesquiterpenoid from the Fruits of <i>Illicium simonsii</i>.","Journal of the American Chemical Society","2019","141","34","13295","13300","10.1021/jacs.9b05065","","","0.71073","MoKα","","0.0623","0.0528","","","0.1258","0.1305","","","","","","1.043","","","","has coordinates","221957","2020-10-21","18:00:00",""
"4128922","52.0499","0.0012","21.5528","0.0005","26.1891","0.0006","90","","90","","90","","29379.5","1.2","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.0994","0.0721","","","0.1794","0.2021","","","","","","1.116","","","","has coordinates,has disorder","221958","2020-10-21","18:00:00",""
"4128923","52.037","0.0013","21.5548","0.0005","26.1839","0.0007","90","","90","","90","","29369.1","1.3","100","","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co4 K3.5 Li1.5 Na O126.5 P5 W30 -","- Co32 K28 Li12 Na8 O1012 P40 W240 -","8","0.5","","Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.","Co<sup>2+</sup>-Linked [NaP<sub>5</sub>W<sub>30</sub>O<sub>110</sub>]<sup>14-</sup>: A Redox-Active Metal Oxide Framework with High Electron Density.","Journal of the American Chemical Society","2019","141","11","4553","4557","10.1021/jacs.9b00866","","x-ray","0.71073","MoKα","","0.082","0.066","","","0.1533","0.1653","","","","","","1.222","","","","has coordinates,has disorder","221959","2020-10-21","18:00:00",""
"4128924","8.5334","0.0017","16.264","0.003","14.678","0.003","90","","100.31","0.03","90","","2004.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 PF6-_ 0.25 H2O","","","- C35 H35 F12 N11 O0.25 P2 -","- C35 H35 F12 N11 O0.25 P2 -","- C70 H70 F24 N22 O0.5 P4 -","2","0.5","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.094","0.0783","","","0.139","0.1478","","","","","","1.04","","","","has coordinates","221960","2020-10-21","18:00:00",""
"4128925","8.8999","0.0018","11.193","0.002","20.76","0.004","99.53","0.03","90.06","0.03","105.42","0.03","1963.9","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 F12 N9 O2 P2 -","- C35 H37 F11.96 N9 O2 P2 -","- C70 H74 F23.92 N18 O4 P4 -","2","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1021","0.0625","","","0.1578","0.1856","","","","","","1.015","","","","has coordinates,has disorder","221961","2020-10-21","18:00:00",""
"4128926","11.481","0.002","22.243","0.004","29.998","0.006","90","","90","","90","","7661","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 HCO3-_dioxane_2 H2O","","","- C37 H43 N9 O10 -","- C37 H39 N9 O10 -","- C296 H312 N72 O80 -","8","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1396","0.0962","","","0.187","0.2088","","","","","","1.017","","","","has coordinates","221962","2020-10-21","18:00:00",""
"4128927","12.547","0.003","18.324","0.004","18.364","0.004","114.49","0.03","103.77","0.03","91.72","0.03","3692.1","1.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 H2PO4-_ 7.5 H2O","","","- C31 H48 N9 O15.5 P2 -","- C31 H33 N9 O8 P2 -","- C124 H132 N36 O32 P8 -","4","2","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1797","0.0921","","","0.2029","0.2397","","","","","","1.001","","","","has coordinates","221963","2020-10-21","18:00:00",""
"4128928","8.2235","0.0007","13.8316","0.0017","16.8675","0.0017","99.887","0.009","90.596","0.007","102.897","0.009","1840","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35.5 N10.5 O8 S2 -","- C34 H31 N10.5 O8 S2 -","- C68 H62 N21 O16 S4 -","2","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","1.54184","CuKα","","0.0907","0.0627","","","0.1707","0.1976","","","","","","0.951","","","","has coordinates,has disorder","221964","2020-10-21","18:00:00",""
"4128929","18.1882","0.0013","20.6048","0.0012","9.6072","0.0005","90","","104.356","0.006","90","","3488","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N9 O11 P2 -","- C31 H39 N9 O11 P2 -","- C124 H156 N36 O44 P8 -","4","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","1.54184","CuKα","","0.0726","0.0506","","","0.109","0.1221","","","","","","1.001","","","","has coordinates","221965","2020-10-21","18:00:00",""
"4128930","15.082","0.002","17.405","0.002","17.968","0.002","66.38","0.002","80.662","0.003","80.269","0.003","4235.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","3 in manuscript","","","- C68 H87 Au2 F6 N5 O5 S3 -","- C68 H87 Au2 F6 N5 O5 S3 -","- C136 H174 Au4 F12 N10 O10 S6 -","2","1","","Mulks, Florian F.; Antoni, Patrick W.; Gross, Jürgen H; Graf, Jürgen; Rominger, Frank; Hashmi, A Stephen K","1,1-Digoldallylium Complexes: Diaurated Allylic Carbocations Indicate New Prospects of the Coordination Chemistry of Carbon.","Journal of the American Chemical Society","2019","141","11","4687","4695","10.1021/jacs.8b13395","","","0.71073","MoKα","","0.0958","0.0484","","","0.1004","0.1224","","","","","","1.03","","","","has coordinates,has disorder","221966","2020-10-21","18:00:00",""
"4128931","8.07","0.0006","8.4605","0.0006","12.8684","0.001","90","","93.611","0.002","90","","876.86","0.11","100","2","100.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Co -","- C20 H31 Co -","- C40 H62 Co2 -","2","0.5","","Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.","Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.","Journal of the American Chemical Society","2019","141","11","4721","4729","10.1021/jacs.9b00193","","","0.71073","MoKα","","0.08","0.0382","","","0.0732","0.0832","","","","","","1.016","","","","has coordinates,has disorder","221967","2020-10-21","18:00:00",""
"4128932","12.8973","0.0005","9.6767","0.0004","15.1146","0.0006","90","","92.956","0.002","90","","1883.84","0.13","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Co -","- C21 H33 Co -","- C84 H132 Co4 -","4","1","","Chalkley, Matthew J.; Oyala, Paul H.; Peters, Jonas C.","Cp* Noninnocence Leads to a Remarkably Weak C-H Bond via Metallocene Protonation.","Journal of the American Chemical Society","2019","141","11","4721","4729","10.1021/jacs.9b00193","","","0.71073","MoKα","","0.0716","0.0471","","","0.0945","0.1037","","","","","","1.045","","","","has coordinates","221967","2020-10-21","18:00:00",""
"4128933","25.919","0.0011","9.9765","0.0004","26.3509","0.0011","90","","112.699","0.002","90","","6286.1","0.5","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H42 N2 O2 Si -","- C33 H42 N2 O2 Si -","- C264 H336 N16 O16 Si8 -","8","4","","Han, Ye-Qiang; Ding, Yi; Zhou, Tao; Yan, Sheng-Yi; Song, Hong; Shi, Bing-Feng","Pd(II)-Catalyzed Enantioselective Alkynylation of Unbiased Methylene C(sp<sup>3</sup>)-H Bonds Using 3,3'-Fluorinated-BINOL as a Chiral Ligand.","Journal of the American Chemical Society","2019","141","11","4558","4563","10.1021/jacs.9b01124","","","1.54178","CuKα","","0.1056","0.1016","","","0.293","0.3039","","","","","","1.381","","","","has coordinates,has disorder","221968","2020-10-21","18:00:00",""
"4128934","16.1706","0.0009","19.1783","0.0007","22.1386","0.001","89.034","0.003","72.865","0.004","80.624","0.004","6469.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H170 N21 O27 Zn4 -","- C114 H144 N18 O24 Zn4 -","- C228 H288 N36 O48 Zn8 -","2","1","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.0994","0.0604","","","0.1446","0.1723","","","","","","0.993","","","","has coordinates,has disorder","221969","2020-10-21","18:00:00",""
"4128935","21.5925","0.0008","12.2482","0.0004","41.9139","0.0015","90","","96.438","0.003","90","","11015","0.7","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C103 H127 N14 O19 Zn4 -","- C103 H127 N14 O19 Zn4 -","- C412 H508 N56 O76 Zn16 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.136","0.1053","","","0.2494","0.2686","","","","","","1.145","","","","has coordinates,has disorder","221970","2020-10-21","18:00:00",""
"4128936","16.7237","0.0006","21.2669","0.0007","39.8228","0.0013","90","","92.307","0.004","90","","14151.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C246 H328 Co2 N38 O52 Zn8 -","- C246 H328 Co2 N38 O52 Zn8 -","- C492 H656 Co4 N76 O104 Zn16 -","2","0.5","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.0987","0.0679","","","0.1533","0.1685","","","","","","1.032","","","","has coordinates,has disorder","221971","2020-10-21","18:00:00",""
"4128937","15.7704","0.0015","19.0494","0.0019","22.544","0.002","67.594","0.01","84.711","0.008","76.268","0.009","6082.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H334 N34 O44 Zn8 -","- C234 H316 N32 O42 Zn8 -","- C234 H316 N32 O42 Zn8 -","1","0.5","","Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.","Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.","Journal of the American Chemical Society","2019","141","11","4749","4755","10.1021/jacs.9b01042","","","1.54184","CuKα","","0.1587","0.0907","","","0.2045","0.2484","","","","","","1.009","","","","has coordinates,has disorder","221972","2020-10-21","18:00:00",""
"4128938","21.2912","0.0005","19.4228","0.0004","11.7888","0.0003","90","","97.29","0.002","90","","4835.7","0.2","108","6","108","6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Br4 N4 O4 Pb -","- C16 H22 Br4 N4 O4 Pb -","- C128 H176 Br32 N32 O32 Pb8 -","8","2","","Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R.","(4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","11","4521","4525","10.1021/jacs.8b13207","","x-ray","0.71073","MoKα","","0.0652","0.042","","","0.0989","0.1068","","","","","","1.03","","","","has coordinates","221973","2020-10-21","18:00:00",""
"4128939","21.0976","0.0004","19.8255","0.0003","12.6149","0.0002","90","","98.2252","0.0017","90","","5222.16","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 I4 N4 O4 Pb -","- C16 H22 I4 N4 O4 Pb -","- C128 H176 I32 N32 O32 Pb8 -","8","2","","Tremblay, Marie-Hélène; Thouin, Félix; Leisen, Johannes; Bacsa, John; Srimath Kandada, Ajay Ram; Hoffman, Justin M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Silva, Carlos; Barlow, Stephen; Marder, Seth R.","(4NPEA)<sub>2</sub>PbI<sub>4</sub> (4NPEA = 4-Nitrophenylethylammonium): Structural, NMR, and Optical Properties of a 3 ×3 Corrugated 2D Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","11","4521","4525","10.1021/jacs.8b13207","","x-ray","0.71073","MoKα","","0.0704","0.0521","","","0.1129","0.1208","","","","","","1.025","","","","has coordinates,has disorder","221974","2020-10-21","18:00:00",""
"4128940","10.848","0.0004","4.7553","0.0002","11.5172","0.0005","90","","111.111","0.004","90","","554.25","0.04","99.99","0.16","99.99","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C22 H28 Cl2 N2 O4 -","2","1","","Gao, Tao-Tao; Zhang, Wen-Wen; Sun, Xin; Lu, Hou-Xiang; Li, Bi-Jie","Stereodivergent Synthesis through Catalytic Asymmetric Reversed Hydroboration.","Journal of the American Chemical Society","2019","141","11","4670","4677","10.1021/jacs.8b13520","","x-ray","1.54184","CuKα","","0.0362","0.0336","","","0.082","0.0841","","","","","","1.061","","","","has coordinates","221975","2020-10-21","18:00:00",""
"4128941","17.3148","0.0008","17.3148","0.0008","37.394","0.002","90","","90","","120","","9708.8","0.8","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H19 Br2 N O2 -","- C24 H19 Br2 N O2 -","- C432 H342 Br36 N18 O36 -","18","0.5","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1329","0.0685","","","0.1767","0.2334","","","","","","1.024","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128942","7.8747","0.0007","11.6377","0.001","11.6249","0.001","90","","107.095","0.003","90","","1018.28","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.0525","0.0332","","","0.0727","0.0811","","","","","","1.039","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128943","8.5392","0.0011","8.8043","0.0011","15.5739","0.0019","74.124","0.003","89.573","0.004","65.84","0.004","1020.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Br N O2 -","- C24 H22 Br N O2 -","- C48 H44 Br2 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.0748","0.047","","","0.107","0.1183","","","","","","1.065","","","","has coordinates,has disorder","221976","2020-10-21","18:00:00",""
"4128944","9.102","0.002","6.967","0.002","10.962","0.003","90","","91.026","0.008","90","","695","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Br2 N O2 -","- C15 H11 Br2 N O2 -","- C30 H22 Br4 N2 O4 -","2","1","","Niyas, M. A.; Ramakrishnan, Remya; Vijay, Vishnu; Sebastian, Ebin; Hariharan, Mahesh","Anomalous Halogen-Halogen Interaction Assists Radial Chromophoric Assembly.","Journal of the American Chemical Society","2019","141","11","4536","4540","10.1021/jacs.8b13754","","","0.71073","MoKα","","0.1451","0.0574","","","0.1381","0.1891","","","","","","0.953","","","","has coordinates","221976","2020-10-21","18:00:00",""
"4128945","11.7853","0.0001","14.6123","0.0002","22.8572","0.0003","98.446","0.001","92.842","0.001","91.763","0.001","3885.88","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C87 H62 Cl7 Ir N2 O5 P2 -","- C87 H62 Cl7 Ir N2 O5 P2 -","- C174 H124 Cl14 Ir2 N4 O10 P4 -","2","1","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.0601","0.0532","","","0.1531","0.1586","","","","","","1.045","","","","has coordinates,has disorder","221977","2020-10-21","18:00:00",""
"4128946","9.9297","0.0002","13.7671","0.0003","14.1998","0.0004","64.113","0.002","87.206","0.002","89.732","0.002","1744","0.08","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Cl N2 O6 -","- C18 H15 Cl N2 O6 -","- C72 H60 Cl4 N8 O24 -","4","4","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.099","0.1008","","","","","","1.046","","","","has coordinates","221978","2020-10-21","18:00:00",""
"4128947","8.03546","0.00005","17.81899","0.00011","11.97478","0.00007","90","","96.1556","0.0006","90","","1704.71","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","","Isomura, Mayuko; Petrone, David A.; Carreira, Erick M.","Coordination-Induced Stereocontrol over Carbocations: Asymmetric Reductive Deoxygenation of Racemic Tertiary Alcohols.","Journal of the American Chemical Society","2019","141","11","4738","4748","10.1021/jacs.9b00862","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1022","0.1035","","","","","","1.028","","","","has coordinates","221979","2020-10-21","18:00:00",""
"4128948","12.4658","0.0007","16.2947","0.0009","21.744","0.0012","90","","97.257","0.003","90","","4381.4","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H50 F24 N16 O4 P4 Ru2 -","- C66 H50 F24 N16 O4 P4 Ru2 -","- C132 H100 F48 N32 O8 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1063","0.071","","","0.1717","0.19","","","","","","1.044","","","","has coordinates,has disorder","275683","2022-05-30","09:11:54",""
"4128949","12.5327","0.0014","16.3645","0.0019","21.809","0.003","90","","97.129","0.005","90","","4438.3","0.9","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F24 N14 P4 Ru2 -","- C64 H44 F24 N14 P4 Ru2 -","- C128 H88 F48 N28 P8 Ru4 -","2","1","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.1158","0.0758","","","0.1894","0.2114","","","","","","0.984","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4128950","8.3032","0.0016","11.378","0.002","18.25","0.004","95.542","0.007","92.729","0.007","95.095","0.007","1706.6","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Cl4 N14 Ru2 -","- C64 H44 Cl4 N14 Ru2 -","- C64 H44 Cl4 N14 Ru2 -","1","0.5","","Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.","Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.","Journal of the American Chemical Society","2019","141","11","4644","4652","10.1021/jacs.8b12280","","","0.71073","MoKα","","0.0707","0.0492","","","0.1183","0.1296","","","","","","1.022","","","","has coordinates,has disorder","221982","2020-10-21","18:00:00",""
"4128951","8.4354","0.0005","9.8508","0.0005","14.8019","0.0008","90","","99.955","0.002","90","","1211.45","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 I O3 -","- C12 H15 I O3 -","- C48 H60 I4 O12 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","x-ray","0.71073","MoKα","","0.032","0.0227","","","0.0459","0.0482","","","","","","1.054","","","","has coordinates","221983","2020-10-21","18:00:00",""
"4128952","10.8432","0.0007","9.263","0.0006","11.9112","0.0008","90","","108.277","0.002","90","","1136.01","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I O3 -","- C11 H8 Br I O3 -","- C44 H32 Br4 I4 O12 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","x-ray","0.71073","MoKα","","0.0506","0.0357","","","0.0627","0.0666","","","","","","1.037","","","","has coordinates","221984","2020-10-21","18:00:00",""
"4128953","12.0937","0.0004","11.9771","0.0004","8.4124","0.0003","90","","91.644","0.001","90","","1218.01","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br I O4 -","- C12 H8 Br I O4 -","- C48 H32 Br4 I4 O16 -","4","1","","Yang, Ming; Yin, Fangjie; Fujino, Haruka; Snyder, Scott A.","The Total Synthesis of Chalcitrin.","Journal of the American Chemical Society","2019","141","11","4515","4520","10.1021/jacs.8b12612","","","0.71073","MoKα","","0.0262","0.0208","","","0.0466","0.048","","","","","","1.091","","","","has coordinates","221985","2020-10-21","18:00:00",""
"4128954","12.8763","0.0001","15.3531","0.0002","24.2529","0.0004","90","","90","","90","","4794.58","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C174 H179 F72 Fe4 N33 O3 P8 -","4","1","","Hong, Yubiao; Jarrige, Lucie; Harms, Klaus; Meggers, Eric","Chiral-at-Iron Catalyst: Expanding the Chemical Space for Asymmetric Earth-Abundant Metal Catalysis.","Journal of the American Chemical Society","2019","141","11","4569","4572","10.1021/jacs.9b01352","","","1.54186","CuKα","","0.0455","0.0381","","","0.0888","0.0913","","","","","","0.96","","","","has coordinates,has disorder","221986","2020-10-21","18:00:00",""
"4128955","19.1455","0.0009","17.5082","0.0008","24.5014","0.001","90","","102.237","0.0018","90","","8026.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C108 H110 O4 -","- C108 H110 O4 -","- C432 H440 O16 -","4","0.5","","Ikai, Tomoyuki; Yoshida, Takumu; Shinohara, Ken-Ichi; Taniguchi, Tsuyoshi; Wada, Yuya; Swager, Timothy M.","Triptycene-Based Ladder Polymers with One-Handed Helical Geometry.","Journal of the American Chemical Society","2019","141","11","4696","4703","10.1021/jacs.8b13865","","","0.71073","MoKα","","0.0951","0.0726","","","0.1981","0.2162","","","","","","1.076","","","","has coordinates,has disorder","221987","2020-10-21","18:00:00",""
"4128956","10.9283","0.0003","13.7142","0.0004","17.0369","0.0004","86.6245","0.0008","85.0011","0.0008","67.4709","0.0007","2348.64","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H26 Cl N5 O2 -","- C26.5 H26 Cl N5 O2 -","- C106 H104 Cl4 N20 O8 -","4","2","","Gallagher, Nolan; Zhang, Hui; Junghoefer, Tobias; Giangrisostomi, Erika; Ovsyannikov, Ruslan; Pink, Maren; Rajca, Suchada; Casu, Maria Benedetta; Rajca, Andrzej","Thermally and Magnetically Robust Triplet Ground State Diradical.","Journal of the American Chemical Society","2019","141","11","4764","4774","10.1021/jacs.9b00558","","","0.41328","","","0.0789","0.0555","","","0.1493","0.1705","","","","","","1.06","","","","has coordinates","221988","2020-10-21","18:00:00",""
"4128957","14.5632","0.0007","12.3263","0.0006","23.3463","0.0011","90","","90","","90","","4190.9","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H29 Cl2 N3 Ni S2 -","- C17 H29 Cl2 N3 Ni S2 -","- C136 H232 Cl16 N24 Ni8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","","1.54178","CuKα","","0.0631","0.0595","","","0.1521","0.1548","","","","","","1.082","","","","has coordinates","221989","2020-10-21","18:00:00",""
"4128958","12.698","0.003","15.104","0.003","10.542","0.002","90","","100.076","0.01","90","","1990.7","0.7","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F3 N3 Ni S2 -","- C17 H24 F3 N3 Ni S2 -","- C68 H96 F12 N12 Ni4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.0549","0.0515","","","0.1459","0.1521","","","","","","1.091","","","","has coordinates,has disorder","221990","2020-10-21","18:00:00",""
"4128959","19.8354","0.0007","9.975","0.0004","13.3013","0.0005","90","","100.622","0.002","90","","2586.67","0.17","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B F4 Fe N3 Ni O3 S2 -","- C22 H32 B F4 Fe N3 Ni O3 S2 -","- C88 H128 B4 F16 Fe4 N12 Ni4 O12 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.0664","0.0607","","","0.1529","0.158","","","","","","1.038","","","","has coordinates,has disorder","221991","2020-10-21","18:00:00",""
"4128960","8.0122","0.0004","31.7923","0.0014","11.9134","0.0006","90","","107.146","0.003","90","","2899.8","0.2","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B Cl2 F7 Fe N2 Ni O S2 -","- C22 H28 B Cl2 F7 Fe N2 Ni O S2 -","- C88 H112 B4 Cl8 F28 Fe4 N8 Ni4 O4 S8 -","4","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.111","0.0835","","","0.1652","0.1789","","","","","","1.087","","","","has coordinates,has disorder","221992","2020-10-21","18:00:00",""
"4128961","11.3768","0.0004","22.6888","0.0006","24.5582","0.0007","90","","90","","90","","6339.1","0.3","100","","100","","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C21.5 H29 B Cl4 F4 Fe N2 Ni O S2 -","- C172 H232 B8 Cl32 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Le, Trung; Vega, Valeria S.; Naumann, Haley; Rezenom, Yohannes; Reibenspies, Joseph H.; Hall, Michael B.; Darensbourg, Marcetta Y.","Controlling O<sub>2</sub> Reactivity in Synthetic Analogues of [NiFeS]- and [NiFeSe]-Hydrogenase Active Sites.","Journal of the American Chemical Society","2019","141","38","15338","15347","10.1021/jacs.9b07448","","x-ray","1.54178","CuKα","","0.1039","0.0953","","","0.2362","0.2442","","","","","","1.127","","","","has coordinates,has disorder","221993","2020-10-21","18:00:00",""
"4128962","11.3708","0.0006","4.6026","0.0002","20.5978","0.001","90","","94.029","0.002","90","","1075.33","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 Br2 O2 -","- C24 H24 Br2 O2 -","- C48 H48 Br4 O4 -","2","1","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.03","0.0243","","","0.0517","0.0531","","","","","","1.052","","","","has coordinates,has disorder","221994","2020-10-21","18:00:00",""
"4128963","11.0641","0.0006","22.4546","0.001","11.081","0.0006","90","","99.705","0.002","90","","2713.6","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H34 Br2 Co N O P -","- C27 H34 Br2 Co N O P -","- C108 H136 Br8 Co4 N4 O4 P4 -","4","2","","Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.","Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.","Journal of the American Chemical Society","2019","141","38","15367","15377","10.1021/jacs.9b07885","","x-ray","0.71073","MoKα","","0.0204","0.0189","","","0.0506","0.051","","","","","","1.118","","","","has coordinates","221995","2020-10-21","18:00:00",""
"4128964","11.7237","0.001","13.3153","0.0013","13.7472","0.0013","90","","90","","90","","2146","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F6 N4 O2 P Ru -","- C19 H15 F6 N4 O2 P Ru -","- C76 H60 F24 N16 O8 P4 Ru4 -","4","1","","Jung, Hoimin; Schrader, Malte; Kim, Dongwook; Baik, Mu-Hyun; Park, Yoonsu; Chang, Sukbok","Harnessing Secondary Coordination Sphere Interactions That Enable the Selective Amidation of Benzylic C-H Bonds.","Journal of the American Chemical Society","2019","141","38","15356","15366","10.1021/jacs.9b07795","","","0.71073","MoKα","","0.06","0.0381","","","0.0781","0.0851","","","","","","1.051","","","","has coordinates,has disorder","221996","2020-10-21","18:00:00",""
"4128965","12.1081","0.0003","14.8255","0.0003","21.7369","0.0005","104.402","0.001","94.961","0.001","111.996","0.001","3433.43","0.14","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H90 Ag2 F6 O14 -","- C69 H90 Ag2 F6 O14 -","- C138 H180 Ag4 F12 O28 -","2","1","","Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe","Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes.","Journal of the American Chemical Society","2019","141","38","15008","15012","10.1021/jacs.9b08257","","","0.71073","MoKα","","0.0786","0.0687","","","0.179","0.1888","","","","","","1.045","","","","has coordinates,has disorder","221997","2020-10-21","18:00:00",""
"4128966","16.5674","0.0006","20.0237","0.0009","17.998","0.0006","90","","92.654","0.003","90","","5964.3","0.4","164.7","","164.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H70 Ag2 F6 O14 -","- C59 H70 Ag2 F6 O14 -","- C236 H280 Ag8 F24 O56 -","4","1","","Hua, Bin; Shao, Li; Zhang, Zhihua; Liu, Jiyong; Huang, Feihe","Cooperative Silver Ion-Pair Recognition by Peralkylated Pillar[5]arenes.","Journal of the American Chemical Society","2019","141","38","15008","15012","10.1021/jacs.9b08257","","","0.71073","MoKα","","0.0671","0.0537","","","0.1344","0.1464","","","","","","1.039","","","","has coordinates,has disorder","221998","2020-10-21","18:00:00",""
"4128967","19.573","0.003","8.226","0.0011","19.595","0.003","90","","117.913","0.002","90","","2787.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F12 Fe N6 Sb2 -","- C18 H30 F12 Fe N6 Sb2 -","- C72 H120 F48 Fe4 N24 Sb8 -","4","1","","Dantignana, Valeria; Serrano-Plana, Joan; Draksharapu, Apparao; Magallón, Carla; Banerjee, Saikat; Fan, Ruixi; Gamba, Ilaria; Guo, Yisong; Que, Jr, Lawrence; Costas, Miquel; Company, Anna","Spectroscopic and Reactivity Comparisons between Nonheme Oxoiron(IV) and Oxoiron(V) Species Bearing the Same Ancillary Ligand.","Journal of the American Chemical Society","2019","141","38","15078","15091","10.1021/jacs.9b05758","","","0.71073","MoKα","","0.028","0.0268","","","0.0711","0.072","","","","","","1.043","","","","has coordinates","221999","2020-10-21","18:00:00",""
"4128968","13.6143","0.0007","18.8932","0.0009","18.3407","0.0009","90","","109.406","0.001","90","","4449.5","0.4","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl17 Co N5 -","- C28 H30 Cl17 Co N5 -","- C112 H120 Cl68 Co4 N20 -","4","1","","Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides.","Journal of the American Chemical Society","2019","141","38","15327","15337","10.1021/jacs.9b07529","","","0.71073","MoKα","","0.0915","0.0744","","","0.1977","0.2135","","","","","","1.07","","","","has coordinates,has disorder","222000","2020-10-21","18:00:00",""
"4128969","8.6432","0.001","11.3302","0.0013","11.4891","0.0014","105.192","0.002","92.884","0.002","107.735","0.002","1023.8","0.2","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Co N5 -","- C23 H26 Co N5 -","- C46 H52 Co2 N10 -","2","1","","Ghosh, Chandrani; Kim, Suyeon; Mena, Matthew R.; Kim, Jun-Hyeong; Pal, Raja; Rock, Christopher L.; Groy, Thomas L.; Baik, Mu-Hyun; Trovitch, Ryan J.","Efficient Cobalt Catalyst for Ambient-Temperature Nitrile Dihydroboration, the Elucidation of a Chelate-Assisted Borylation Mechanism, and a New Synthetic Route to Amides.","Journal of the American Chemical Society","2019","141","38","15327","15337","10.1021/jacs.9b07529","","","0.71073","MoKα","","0.052","0.0412","","","0.0925","0.0974","","","","","","1.036","","","","has coordinates","222001","2020-10-21","18:00:00",""
"4128970","8.2188","0.0002","11.2255","0.0003","16.4158","0.0004","84.354","0.001","76.854","0.001","69.023","0.001","1376.85","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 Co F4 N P2 -","- C27 H40 Co F4 N P2 -","- C54 H80 Co2 F8 N2 P4 -","2","1","","Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.","Journal of the American Chemical Society","2019","141","38","15378","15389","10.1021/jacs.9b07984","","","0.71073","MoKα","","0.046","0.0345","","","0.0787","0.0834","","","","","","1.045","","","","has coordinates,has disorder","222002","2020-10-21","18:00:00",""
"4128971","18.7044","0.001","13.913","0.0008","23.4016","0.0013","90","","98.928","0.002","90","","6016.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Co F4 N P2 -","- C27 H40 Co F4 N P2 -","- C216 H320 Co8 F32 N8 P16 -","8","2","","Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.","Journal of the American Chemical Society","2019","141","38","15378","15389","10.1021/jacs.9b07984","","","1.54178","CuKα","","0.1411","0.1151","","","0.2737","0.2957","","","","","","1.091","","","","has coordinates,has disorder","222002","2020-10-21","18:00:00",""
"4128972","11.5009","0.0016","13.9207","0.0019","15.136","0.002","75.533","0.007","75.25","0.007","69.812","0.007","2164.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","audra_5213","audra_5213","","- C96 H108 B2 Mn2 N10 O4 S2 -","- C96 H108 B2 Mn2 N10 O4 S2 -","- C96 H108 B2 Mn2 N10 O4 S2 -","1","0.5","","Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A.","How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.","Journal of the American Chemical Society","2019","141","38","15046","15057","10.1021/jacs.9b04729","","","0.71073","MoKα","","0.1178","0.0514","","","0.0996","0.1242","","","","","","1.009","","","","has coordinates,has disorder","222003","2020-10-21","18:00:00",""
"4128973","10.1676","0.0007","22.3787","0.0018","12.3719","0.001","90","","96.825","0.004","90","","2795.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","audra112113","audra112113","","- C46 H64 F12 Mn2 N10 O5 P2 S2 -","- C46 H64 F12 Mn2 N10 O5 P2 S2 -","- C92 H128 F24 Mn4 N20 O10 P4 S4 -","2","0.5","","Yan Poon, Penny Chaau; Dedushko, Maksym A.; Sun, Xianru; Yang, Guang; Toledo, Santiago; Hayes, Ellen C.; Johansen, Audra; Piquette, Marc C.; Rees, Julian A.; Stoll, Stefan; Rybak-Akimova, Elena; Kovacs, Julie A.","How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.","Journal of the American Chemical Society","2019","141","38","15046","15057","10.1021/jacs.9b04729","","","0.71073","MoKα","","0.0655","0.0371","","","0.0746","0.0839","","","","","","1.004","","","","has coordinates,has disorder","222004","2020-10-21","18:00:00",""
"4128974","14.031","0.0003","14.031","0.0003","14.0046","0.0009","90","","90","","120","","2387.69","0.17","296","2","296","2","200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0638","0.0496","","","0.0895","0.0907","","","","","","0.784","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128975","13.766","0.0003","13.766","0.0003","13.2315","0.0009","90","","90","","120","","2171.48","0.16","296","2","296","2","3600000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0416","0.0416","","","0.1192","0.1192","","","","","","1.083","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128976","13.4668","0.0003","13.4668","0.0003","12.6496","0.0009","90","","90","","120","","1986.72","0.15","296","2","296","2","8700000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0426","0.0426","","","0.1118","0.1118","","","","","","1.053","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128977","13.3353","0.0004","13.3353","0.0004","12.4394","0.001","90","","90","","120","","1915.74","0.17","296","2","296","2","11500000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0385","0.0384","","","0.1018","0.1018","","","","","","1.049","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128978","13.2862","0.0004","13.2862","0.0004","12.3717","0.0009","90","","90","","120","","1891.31","0.16","296","2","296","2","12500000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0363","0.0362","","","0.0936","0.0936","","","","","","1.046","","","","has coordinates","222005","2020-10-21","18:00:00",""
"4128979","12.9856","0.0003","12.9856","0.0003","12.4479","0.001","90","","90","","120","","1817.82","0.16","296","2","296","2","14400000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu1.99933 I2 Se6 -","- Cu17.994 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.033","0.032","","","0.089","0.0895","","","","","","1.131","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128980","12.8911","0.0003","12.8911","0.0003","12.33","0.0009","90","","90","","120","","1774.49","0.14","296","2","296","2","16700000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0373","0.0373","","","0.0954","0.0954","","","","","","1.018","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128981","12.8125","0.0004","12.8125","0.0004","12.2065","0.001","90","","90","","120","","1735.36","0.16","296","2","296","2","19200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu1.99933 I2 Se6 -","- Cu17.994 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0464","0.0464","","","0.1134","0.1134","","","","","","1.119","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128982","13.0793","0.0004","13.0793","0.0004","11.1844","0.0011","90","","90","","120","","1656.96","0.18","296","2","296","2","22000000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0585","0.0585","","","0.1437","0.1437","","","","","","1.298","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128983","13.0111","0.0004","13.0111","0.0004","11.0956","0.0011","90","","90","","120","","1626.71","0.18","296","2","296","2","24200000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.061","0.061","","","0.1498","0.1498","","","","","","1.229","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128984","12.939","0.0006","12.939","0.0006","10.9066","0.0017","90","","90","","120","","1581.3","0.3","296","2","296","2","27800000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0603","0.0603","","","0.1454","0.1454","","","","","","1.174","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128985","12.8949","0.0006","12.8949","0.0006","10.7489","0.0015","90","","90","","120","","1547.9","0.2","296","2","296","2","31600000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0546","0.0546","","","0.1453","0.1453","","","","","","1.248","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128986","12.7831","0.0007","12.7831","0.0007","10.596","0.002","90","","90","","120","","1499.5","0.3","296","2","296","2","35800000","","","","","","","3","R -3 m :H","-R 3 2""","166","copper iodide triselenide","","","- Cu2 I2 Se6 -","- Cu2.00067 I2 Se6 -","- Cu18.006 I18 Se54 -","9","0.25","","Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti","Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>.","Journal of the American Chemical Society","2019","141","38","15174","15182","10.1021/jacs.9b06794","","","0.4325","synchrotron","","0.0651","0.0651","","","0.1739","0.1739","","","","","","1.275","","","","has coordinates,has disorder","222005","2020-10-21","18:00:00",""
"4128987","8.9454","0.0009","11.7746","0.0013","20.35","0.003","90","","90","","90","","2143.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br2 N2 Ni O2 -","- C21 H22 Br2 N2 Ni O2 -","- C84 H88 Br8 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0214","0.0184","","","0.0419","0.0425","","","","","","1.043","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128988","9.457","0.002","13.597","0.003","15.622","0.004","90","","90","","90","","2008.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((R,R)-Ph-BOX)NiBr","","","- C21 H22 Br N2 Ni O2 -","- C21 H22 Br N2 Ni O2 -","- C84 H88 Br4 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0612","0.0335","","","0.0511","0.0566","","","","","","0.988","","","","has coordinates,has disorder","222006","2020-10-21","18:00:00",""
"4128989","9.754","0.0005","17.1117","0.0016","26.83","0.003","90","","90","","90","","4478.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H51 Br N2 Ni O3 -","- C55 H51 Br N2 Ni O3 -","- C220 H204 Br4 N8 Ni4 O12 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","1.54184","CuKα","","0.0501","0.0452","","","0.1112","0.1144","","","","","","1.029","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128990","13.2918","0.0015","16.122","0.003","17.053","0.003","90","","93.901","0.005","90","","3645.8","1","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SiP3FeCCH","","- C38 H55 Fe P3 Si -","- C38 H55 Fe P3 Si -","- C152 H220 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0524","0.034","","","0.0783","0.0853","","","","","","1.045","","","","has coordinates","222007","2020-10-21","18:00:00",""
"4128991","12.847","0.004","38.23","0.011","14.423","0.004","90","","92.285","0.012","90","","7078","4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H68 B F24 Fe P3 Si -","- C70 H68 B F24 Fe P3 Si -","- C280 H272 B4 F96 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0868","0.0742","","","0.16","0.1649","","","","","","1.246","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128992","13.2971","0.0008","16.145","0.0009","17.0059","0.001","90","","92.999","0.003","90","","3645.9","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SiP3FeCCH3","","- C37.83 H56.75 Cl0.08 Fe P3 Si -","- C37.832 H56.748 Cl0.084 Fe P3 Si -","- C151.328 H226.992 Cl0.336 Fe4 P12 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0382","0.0288","","","0.0757","0.0819","","","","","","1.037","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128993","13.173","0.005","15.284","0.006","20.312","0.007","90","","90","","90","","4090","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","SiP3FeCCH3OTf","","- C39 H57 F3 Fe O3 P3 S Si -","- C39 H57 F3 Fe O3 P3 S Si -","- C156 H228 F12 Fe4 O12 P12 S4 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0733","0.0457","","","0.0881","0.0987","","","","","","1.025","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128994","11.6451","0.0003","21.3404","0.0005","14.8565","0.0004","90","","95.918","0.002","90","","3672.33","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N14 O6 -","- C39 H38 N14 O6 -","- C156 H152 N56 O24 -","4","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.1266","0.0669","","","0.144","0.1735","","","","","","0.992","","","","has coordinates","222008","2020-10-21","18:00:00",""
"4128995","41.1586","0.0006","11.1026","0.0002","14.8734","0.0002","90","","98.864","0.001","90","","6715.49","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 N12 -","- C39 H36 N12 -","- C312 H288 N96 -","8","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0609","0.055","","","0.138","0.1451","","","","","","1.052","","","","has coordinates","222009","2020-10-21","18:00:00",""
"4128996","12.163","0.0003","12.2694","0.0003","17.6357","0.0005","94.394","0.001","92.077","0.001","95.134","0.001","2611.1","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 N20 Nd O18 -","- C43 H42 N20 Nd O18 -","- C86 H84 N40 Nd2 O36 -","2","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0583","0.0419","","","0.1052","0.1223","","","","","","1.111","","","","has coordinates","222010","2020-10-21","18:00:00",""
"4128997","14.3372","0.0004","17.1271","0.0004","25.2207","0.0007","89.822","0.002","74.953","0.002","83.091","0.002","5934.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H88 Er3 N43 O47 -","- C86 H84 Er3 N43 O47 -","- C172 H168 Er6 N86 O94 -","2","1","","de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.","Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO<sub>3</sub>)<sub>6/5</sub>]<sup>3-/2-</sup> (Ln = Nd, Er) with a Triazine-Based Ligand.","Journal of the American Chemical Society","2019","141","38","15102","15110","10.1021/jacs.9b05566","","","0.71073","MoKα","","0.0802","0.0693","","","0.1553","0.1607","","","","","","1.198","","","","has coordinates,has disorder","222011","2020-10-21","18:00:00",""
"4128998","10.77","0.006","10.98","0.006","28.973","0.017","90","","90","","90","","3426","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Li2 N6 O P -","- C30 H53 Li2 N6 O P -","- C120 H212 Li8 N24 O4 P4 -","4","1","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.2208","0.0886","","","0.1411","0.1725","","","","","","1.095","","","","has coordinates","222012","2020-10-21","18:00:00",""
"4128999","14.958","0.006","15.579","0.007","30.593","0.01","90","","90","","90","","7129","5","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 Li2 N6 O2 P -","- C32 H57 Li2 N6 O2 P -","- C256 H456 Li16 N48 O16 P8 -","8","2","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.1483","0.0863","","","0.1422","0.1561","","","","","","1.452","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129000","12.4631","0.0002","22.4492","0.0004","30.1","0.0006","90","","91.654","0.001","90","","8418.1","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C106 H111 Cl3 O8 -","- C106 H111 Cl3 O8 -","- C424 H444 Cl12 O32 -","4","1","","Nishigaki, Shuhei; Shibata, Yu; Nakajima, Atsuya; Okajima, Hajime; Masumoto, Yui; Osawa, Taisei; Muranaka, Atsuya; Sugiyama, Haruki; Horikawa, Ayano; Uekusa, Hidehiro; Koshino, Hiroyuki; Uchiyama, Masanobu; Sakamoto, Akira; Tanaka, Ken","Synthesis of Belt- and Möbius-Shaped Cycloparaphenylenes by Rhodium-Catalyzed Alkyne Cyclotrimerization.","Journal of the American Chemical Society","2019","141","38","14955","14960","10.1021/jacs.9b06197","","x-ray","1.54186","CuKα","","0.07","0.0586","","","0.1587","0.1703","","","","","","1.066","","","","has coordinates,has disorder","222014","2020-10-21","18:00:00",""
"4129001","6.2514","0.0019","7.289","0.002","29.77","0.009","90","","90","","90","","1356.5","0.7","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Halabi, Jad Mahmoud; Ahmed, Ejaz; Catalano, Luca; Karothu, Durga Prasad; Rezgui, Rachid; Naumov, Panče","Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide.","Journal of the American Chemical Society","2019","141","38","14966","14970","10.1021/jacs.9b07645","","x-ray","0.71073","MoKα","","0.059","0.0497","","","0.1013","0.1041","","","","","","1.062","","","","has coordinates","222015","2020-10-21","18:00:00",""
"4129002","9.2363","0.0016","8.7977","0.0009","45.59","0.01","90","","106.45","0.02","90","","3552.9","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H33 N3 S2 -","- C47 H33 N3 S2 -","- C188 H132 N12 S8 -","4","1","","Niu, Guangle; Zheng, Xiuli; Zhao, Zheng; Zhang, Haoke; Wang, Jianguo; He, Xuewen; Chen, Yuncong; Shi, Xiujuan; Ma, Chao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Wang, Pengfei; Tang, Ben Zhong","Functionalized Acrylonitriles with Aggregation-Induced Emission: Structure Tuning by Simple Reaction-Condition Variation, Efficient Red Emission, and Two-Photon Bioimaging.","Journal of the American Chemical Society","2019","141","38","15111","15120","10.1021/jacs.9b06196","","x-ray","1.54184","CuKα","","0.0821","0.0625","","","0.1336","0.143","","","","","","1.003","","","","has coordinates","222016","2020-10-21","18:00:00",""
"4129003","17.4002","0.0004","20.7307","0.0005","23.4789","0.0006","90","","90","","90","","8469.3","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 -","- C47 H64 Co N3 -","- C376 H512 Co8 N24 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0878","0.0633","","","0.1493","0.1613","","","","","","1.082","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129004","10.9033","0.0009","12.0359","0.0011","25.14","0.002","90","","90","","90","","3299.1","0.5","100","","100","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H49 N O -","- C37 H49 N O -","- C148 H196 N4 O4 -","4","0.5","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0572","0.0443","","","0.1142","0.1223","","","","","","1.04","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129005","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129006","17.8319","0.0019","13.874","0.002","19.914","0.003","90","","105.928","0.006","90","","4737.6","1.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H74 Co N -","- C52.9196 H73.8928 Co N -","- C211.678 H295.571 Co4 N4 -","4","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1559","0.1454","","","0.3041","0.3088","","","","","","1.365","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129007","13.5984","0.0011","17.629","0.0012","23.0085","0.0018","90","","90.367","0.005","90","","5515.6","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H79 Co N P -","- C65 H79 Co N P -","- C260 H316 Co4 N4 P4 -","4","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1271","0.058","","","0.1076","0.1287","","","","","","1","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129008","17.3101","0.0007","20.4836","0.0008","23.4544","0.0011","90","","90","","90","","8316.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H65 Co N O -","- C47 H65 Co N O -","- C376 H520 Co8 N8 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1028","0.0593","","","0.1408","0.16","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129009","17.4228","0.0007","20.6348","0.0009","23.3437","0.0011","90","","90","","90","","8392.4","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 O -","- C47 H64 Co N3 O -","- C376 H512 Co8 N24 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0978","0.0743","","","0.1637","0.1758","","","","","","1.062","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129010","18.4221","0.0006","17.1331","0.0004","36.3469","0.001","90","","90","","90","","11472.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H89 Co N2 O2 Si2 -","- C60 H89 Co N2 O2 Si2 -","- C480 H712 Co8 N16 O16 Si16 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","1.54178","CuKα","","0.0879","0.0472","","","0.0906","0.1047","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129011","13.5872","0.0003","13.3149","0.0002","22.6201","0.0004","90","","103.353","0.007","90","","3981.62","0.17","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(dppp)Pt{CNC6H3(CH=C=CH2)COOMe}Me]Cl-CHCl3","","- C41 H39 Cl4 N O2 P2 Pt -","- C41 H39 Cl4 N O2 P2 Pt -","- C164 H156 Cl16 N4 O8 P8 Pt4 -","4","1","","Kanbayashi, Naoya; Okamura, Taka-Aki; Onitsuka, Kiyotaka","Living Cyclocopolymerization through Alternating Insertion of Isocyanide and Allene via Controlling the Reactivity of the Propagation Species: Detailed Mechanistic Investigation.","Journal of the American Chemical Society","2019","141","38","15307","15317","10.1021/jacs.9b07431","","","0.71075","MoKα","","0.0321","0.0256","","","0.0597","0.0617","","","","","","1.07","","","","has coordinates","222018","2020-10-21","18:00:00",""
"4129012","23.3425","0.0006","17.6797","0.0004","24.6828","0.0008","90","","90","","90","","10186.3","0.5","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C112 H138 B2 N10 Si4 -","- C112 H138 B2 N10 Si4 -","- C448 H552 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","0.71073","MoKα","","0.1466","0.0851","","","0.2033","0.2381","","","","","","1.051","","","","has coordinates,has disorder","222019","2020-10-21","18:00:00",""
"4129013","23.0452","0.0002","17.8779","0.0002","25.1244","0.0003","90","","90","","90","","10351.2","0.19","130","","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C113.34 H138.02 B2 N10 Si4 -","- C113.34 H138.02 B2 N10 Si4 -","- C453.36 H552.08 B8 N40 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.0693","0.061","","","0.1648","0.1707","","","","","","1.048","","","","has coordinates,has disorder","222020","2020-10-21","18:00:00",""
"4129014","23.2625","0.0004","17.5096","0.0008","24.5181","0.0006","90","","90","","90","","9986.6","0.5","150.15","","150.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C112 H140 B2 N8 O Si4 -","- C112 H140 B2 N8 O Si4 -","- C448 H560 B8 N32 O4 Si16 -","4","0.5","","Sun, Xiaofei; Simler, Thomas; Yadav, Ravi; Köppe, Ralf; Roesky, Peter W.","A Stable Aromatic Tetrasilacyclobutadiene Dication.","Journal of the American Chemical Society","2019","141","38","14987","14990","10.1021/jacs.9b08018","","","1.34143","GaKα","","0.057","0.0443","","","0.1232","0.1321","","","","","","1.051","","","","has coordinates,has disorder","222021","2020-10-21","18:00:00",""
"4129015","13.1535","0.0007","18.2025","0.0009","17.8085","0.0009","90","","107.602","0.002","90","","4064.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cu O3 P2 -","- C49 H41 Cu O3 P2 -","- C196 H164 Cu4 O12 P8 -","4","1","","van Vliet, Kaj M.; Polak, Lara H.; Siegler, Maxime A.; van der Vlugt, Jarl Ivar; Guerra, Célia Fonseca; de Bruin, Bas","Efficient Copper-Catalyzed Multicomponent Synthesis of <i>N-</i>Acyl Amidines via Acyl Nitrenes.","Journal of the American Chemical Society","2019","141","38","15240","15249","10.1021/jacs.9b07140","","","0.71073","MoKα","","0.054","0.0389","","","0.0949","0.1087","","","","","","1.065","","","","has coordinates,has disorder","222022","2020-10-21","18:00:00",""
"4129016","17.019","0.003","19.261","0.003","28.579","0.004","93.223","0.005","100.749","0.005","90.782","0.003","9187","3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C189 H162 Au13 Cl3 F12 N18 P2 -","- C189 H162 Au13 Cl3 F12 N18 P2 -","- C378 H324 Au26 Cl6 F24 N36 P4 -","2","1","","Narouz, Mina R.; Takano, Shinjiro; Lummis, Paul A.; Levchenko, Tetyana I.; Nazemi, Ali; Kaappa, Sami; Malola, Sami; Yousefalizadeh, Goonay; Calhoun, Larry A.; Stamplecoskie, Kevin G.; Häkkinen, Hannu; Tsukuda, Tatsuya; Crudden, Cathleen M.","Robust, Highly Luminescent Au<sub>13</sub> Superatoms Protected by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","38","14997","15002","10.1021/jacs.9b07854","","","0.71075","MoKα","","0.0962","0.0805","","","0.2","0.2134","","","","","","1.088","","","","has coordinates","222023","2020-10-21","18:00:00",""
"4129017","12.858","0.002","10.2977","0.0015","29","0.004","90","","90","","90","","3839.8","1","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H23 Br N O7.5 -","- C17 H23 Br N O7.5 -","- C136 H184 Br8 N8 O60 -","8","2","","Hu, Xiaoran; Zeng, Tian; Husic, Corey C.; Robb, Maxwell J.","Mechanically Triggered Small Molecule Release from a Masked Furfuryl Carbonate.","Journal of the American Chemical Society","2019","141","38","15018","15023","10.1021/jacs.9b08663","","","1.54178","CuKα","","0.087","0.0667","","","0.1871","0.2044","","","","","","1.076","","","","has coordinates,has disorder","222024","2020-10-21","18:00:00",""
"4129018","10.8676","0.0007","12.3856","0.0008","12.9182","0.0008","115.312","0.001","95.615","0.001","97.369","0.001","1536.12","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 N3 Si3 V -","- C27 H43 N3 Si3 V -","- C54 H86 N6 Si6 V2 -","2","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0973","0.0499","","","0.108","0.1293","","","","","","1.012","","","","has coordinates","222025","2020-10-21","18:00:00",""
"4129019","10.8649","0.0009","12.4225","0.001","13.0617","0.0011","115.202","0.004","96.239","0.004","96.088","0.004","1562.8","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43.44 N3 Si3 V -","- C27 H43.45 N3 Si3 V -","- C54 H86.9 N6 Si6 V2 -","2","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.115","0.059","","","0.1173","0.1524","","","","","","1.062","","","","has coordinates,has disorder","222026","2020-10-21","18:00:00",""
"4129020","15.9192","0.0011","9.2597","0.0005","19.7266","0.0012","90","","91.164","0.003","90","","2907.2","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N3 Si2 V -","- C29 H37 N3 Si2 V -","- C116 H148 N12 Si8 V4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0842","0.044","","","0.0976","0.1146","","","","","","1.042","","","","has coordinates","222027","2020-10-21","18:00:00",""
"4129021","17.5887","0.0018","5.0205","0.0005","10.2381","0.0011","90","","90","","90","","904.07","0.16","240","2","240","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","","Zhang, Guoqi; Wu, Jing; Zheng, Shengping; Neary, Michelle C.; Mao, Jincheng; Flores, Marco; Trovitch, Ryan J.; Dub, Pavel A.","Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities.","Journal of the American Chemical Society","2019","141","38","15230","15239","10.1021/jacs.9b07062","","","0.71073","MoKα","","0.0765","0.0377","","","0.0735","0.0862","","","","","","1.019","","","","has coordinates","222028","2020-10-21","18:00:00",""
"4129022","28.714","0.002","21.1265","0.0007","10.946","0.0003","90","","90","","90","","6640.1","0.5","293","","293.15","","","","","","","","","4","P n n a","-P 2a 2bc","52","","MUF-15","","- C32 H61 Co3 O24 -","- C20 H13 Co3 O12 -","- C160 H104 Co24 O96 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Shi, Zhao-Lin; Zhang, Yue-Biao; Telfer, Shane G.","A Robust Ethane-Trapping Metal-Organic Framework with a High Capacity for Ethylene Purification.","Journal of the American Chemical Society","2019","141","12","5014","5020","10.1021/jacs.9b00913","","","1.54178","CuKα","","0.1056","0.0878","","","0.2481","0.268","","","","","","1.16","","","","has coordinates,has disorder","222029","2020-10-21","18:00:00",""
"4129023","6.3267","0.0002","8.6439","0.0003","29.68","0.002","90","","90","","90","","1623.12","0.13","95","","95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","x-ray","1.54178","CuKα","","0.0435","0.0415","","","0.1017","0.1111","","","","","","1.145","","","","has coordinates","222030","2020-10-21","18:00:00",""
"4129024","7.36657","0.00008","9.85708","0.00014","14.2852","0.00019","90","","94.3143","0.0011","90","","1034.35","0.02","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C46 H68 O14 -","2","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","","1.54184","CuKα","","0.0393","0.0384","","","0.1025","0.105","","","","","","1.078","","","","has coordinates","222031","2020-10-21","18:00:00",""
"4129025","10.883","0.004","14.071","0.006","13.651","0.006","90","","105.587","0.011","90","","2013.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","2","","Xu, Jiasu; Rawal, Viresh H.","Total Synthesis of (-)-Ambiguine P.","Journal of the American Chemical Society","2019","141","12","4820","4823","10.1021/jacs.9b01739","","","0.71073","MoKα","","0.1015","0.0543","","","0.1276","0.1494","","","","","","1.028","","","","has coordinates","222032","2020-10-21","18:00:00",""
"4129026","16.1688","0.0006","18.0527","0.0008","18.8483","0.0008","63.1338","0.0018","76.4813","0.0019","68.8934","0.0019","4561.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C95.44 H136.52 Cl0.37 N6 O5.82 P -","- C95.445 H136.52 Cl0.37 N6 O5.815 P -","- C190.89 H273.04 Cl0.74 N12 O11.63 P2 -","2","1","","Zhao, Wei; Qiao, Bo; Tropp, Joshua; Pink, Maren; Azoulay, Jason D.; Flood, Amar H.","Linear Supramolecular Polymers Driven by Anion-Anion Dimerization of Difunctional Phosphonate Monomers Inside Cyanostar Macrocycles.","Journal of the American Chemical Society","2019","141","12","4980","4989","10.1021/jacs.9b00248","","","0.71073","MoKα","","0.1754","0.1139","","","0.3151","0.3375","","","","","","1.966","","","","has coordinates,has disorder","222033","2020-10-21","18:00:00",""
"4129027","12.7696","0.0006","13.2248","0.0006","15.5398","0.0007","98.656","0.001","107.333","0.001","113.731","0.001","2180.75","0.18","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Au Cl3 N4 Ni P -","- C47 H45 Au Cl3 N4 Ni P -","- C94 H90 Au2 Cl6 N8 Ni2 P2 -","2","1","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0206","0.0202","","","0.0556","0.0559","","","","","","1.048","","","","has coordinates,has disorder","222034","2020-10-21","18:00:00",""
"4129028","16.4476","0.0003","24.3351","0.0004","40.0869","0.0005","90","","90","","90","","16044.9","0.4","107","2","107","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.5 H45 N4 Ni O P -","- C48.5 H45 N4 Ni O P -","- C776 H720 N64 Ni16 O16 P16 -","16","2","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0654","0.0457","","","0.1215","0.138","","","","","","1.093","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4129029","16.0007","0.001","16.1997","0.001","17.7476","0.0012","100.329","0.002","115.508","0.002","101.094","0.002","3891.7","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H83 Cl3 N8 Ni2 P2 -","- C91 H83 Cl3 N8 Ni2 P2 -","- C182 H166 Cl6 N16 Ni4 P4 -","2","1","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0488","0.0428","","","0.112","0.1216","","","","","","1.075","","","","has coordinates,has disorder","222036","2020-10-21","18:00:00",""
"4129030","7.8235","0.0001","8.2819","0.0001","16.211","0.0002","90","","96.355","0.001","90","","1043.91","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0421","0.0411","","","0.1141","0.1153","","","","","","1.067","","","","has coordinates","222037","2020-10-21","18:00:00",""
"4129031","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","222038","2020-10-21","18:00:00",""
"4129032","5.0118","0.0008","9.3269","0.0017","32.56","0.005","90","","90","","90","","1522","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","0.71073","MoKα","","0.1","0.0529","","","0.1131","0.1395","","","","","","1.064","","","","has coordinates","222039","2020-10-21","18:00:00",""
"4129033","11.4777","0.0005","11.7014","0.0005","15.3255","0.0006","97.482","0.001","90.147","0.001","118.95","0.001","1780.65","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 I O -","- C22 H17 I O -","- C88 H68 I4 O4 -","4","2","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0266","0.0216","","","0.0518","0.055","","","","","","1.033","","","","has coordinates","222040","2020-10-21","18:00:00",""
"4129034","22.1638","0.0012","15.0475","0.0009","7.499","0.0004","90","","90","","90","","2501","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H13 I O -","- C14 H13 I O -","- C112 H104 I8 O8 -","8","1","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","0.71073","MoKα","","0.0621","0.056","","","0.1303","0.1341","","","","","","1.138","","","","has coordinates,has disorder","222041","2020-10-21","18:00:00",""
"4129035","10.7002","0.0004","23.8506","0.0008","22.5203","0.0008","90","","98.085","0.001","90","","5690.2","0.4","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H36 O10 -","- C36 H36 O10 -","- C216 H216 O60 -","6","3","","Hu, Zhifei; Tang, Yu; Yu, Biao","Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.","Journal of the American Chemical Society","2019","141","12","4806","4810","10.1021/jacs.9b00210","","","1.34139","GaKα","","0.1336","0.102","","","0.2625","0.299","","","","","","1.067","","","","has coordinates","222042","2020-10-21","18:00:00",""
"4129036","6.8132","0.001","6.8132","0.001","16.166","0.003","90","","90","","90","","750.4","0.2","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_act","","","- C8 H4 Cu N4 Ni S4 -","- C8 H4 Cu N4 Ni S4 -","- C16 H8 Cu2 N8 Ni2 S8 -","2","0.125","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.042","3.55","","","","","","","has coordinates","222043","2020-10-21","18:00:00",""
"4129037","6.8233","0.0008","6.8233","0.0008","16.1432","0.0016","90","","90","","90","","751.59","0.15","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_C2H2","","","- C10 H6 Cu N4 Ni S4 -","- C10 H6 Cu N4 Ni S4 -","- C20 H12 Cu2 N8 Ni2 S8 -","2","0.125","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.029","2.75","","","","","","","has coordinates","222044","2020-10-21","18:00:00",""
"4129038","6.8342","0.0009","6.8342","0.0009","16.0964","0.0018","90","","90","","90","","751.8","0.16","298","","298","","","","","","","","","6","P 42/m m c","-P 4c 2","131","CuNipdt2_C2H4","","","- C2.4 H1.81 Cu0.25 N Ni0.25 S -","- C2.403 H1.8062 Cu0.25 N Ni0.25 S -","- C19.224 H14.4496 Cu2 N8 Ni2 S8 -","8","0.5","","Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.","Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption.","Journal of the American Chemical Society","2019","141","12","5005","5013","10.1021/jacs.9b00654","powder diffraction","x-ray","0.45212","synchrotron","","","","","","","","","0.047","3.57","","","","","","","has coordinates","222045","2020-10-21","18:00:00",""
"4129039","9.491","0.002","6.116","0.0008","9.9296","0.0018","90","","101.54","0.02","90","","564.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 N O3 S -","- C10 H15 N O3 S -","- C20 H30 N2 O6 S2 -","2","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0586","0.0423","","","0.1054","0.1185","","","","","","0.809","","","","has coordinates","222046","2020-10-21","18:00:00",""
"4129040","8.7471","0.0001","8.7471","0.0001","32.7688","0.0014","90","","90","","90","","2507.2","0.11","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C104 H104 N8 O24 S8 -","8","1","","Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua","4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.","Journal of the American Chemical Society","2019","141","12","4928","4935","10.1021/jacs.9b00031","","","0.71073","MoKα","","0.0355","0.0312","","","0.0791","0.081","","","","","","1.052","","","","has coordinates","222047","2020-10-21","18:00:00",""
"4129041","6.8458","0.0003","11.2304","0.0004","16.4338","0.0006","90","","99.126","0.002","90","","1247.46","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Br N2 Ni -","- C24 H40 Br N2 Ni -","- C48 H80 Br2 N4 Ni2 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0377","0.0353","","","0.08","0.0818","","","","","","1.115","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129042","6.849","0.003","11.091","0.005","32.493","0.013","90","","93.69","0.015","90","","2463.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl N2 Ni -","- C24 H40 Cl N2 Ni -","- C96 H160 Cl4 N8 Ni4 -","4","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0698","0.0652","","","0.1475","0.1492","","","","","","1.359","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129043","7.7891","0.0004","22.175","0.0011","28.51","0.0014","90","","90","","90","","4924.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 I N2 Ni -","- C24 H40 I N2 Ni -","- C192 H320 I8 N16 Ni8 -","8","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0442","0.0412","","","0.0944","0.0962","","","","","","1.207","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129044","13.0031","0.0005","13.3258","0.0005","14.169","0.0006","90","","90","","90","","2455.16","0.17","300","2","300","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H40 N2 Ni -","- C24 H40 N2 Ni -","- C96 H160 N8 Ni4 -","4","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","0.71073","MoKα","","0.0505","0.0432","","","0.1081","0.1161","","","","","","1.148","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129045","13.3155","0.0004","12.3857","0.0003","13.9317","0.0004","90","","104.318","0.001","90","","2226.27","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H72 Br2 N4 Ni2 -","- C44 H72 Br2 N4 Ni2 -","- C88 H144 Br4 N8 Ni4 -","2","1","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0207","0.0206","","","0.0513","0.0514","","","","","","1.05","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129046","10.145","0.002","19.61","0.004","11.073","0.002","90","","90.77","0.03","90","","2202.7","0.7","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B F2 I N O2 -","- C27 H19 B F2 I N O2 -","- C108 H76 B4 F8 I4 N4 O8 -","4","1","","Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu","Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water.","Journal of the American Chemical Society","2019","141","12","5045","5050","10.1021/jacs.9b00859","","","0.71073","MoKα","","0.0918","0.0777","","","0.2364","0.2726","","","","","","1.222","","","","has coordinates","222049","2020-10-21","18:00:00",""
"4129047","10.217","0.002","19.415","0.004","10.927","0.002","90","","90.86","0.03","90","","2167.3","0.7","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B Br F2 N O2 -","- C27 H19 B Br F2 N O2 -","- C108 H76 B4 Br4 F8 N4 O8 -","4","1","","Wang, Xiao-Fang; Xiao, Hongyan; Chen, Peng-Zhong; Yang, Qing-Zheng; Chen, Bin; Tung, Chen-Ho; Chen, Yu-Zhe; Wu, Li-Zhu","Pure Organic Room Temperature Phosphorescence from Excited Dimers in Self-Assembled Nanoparticles under Visible and Near-Infrared Irradiation in Water.","Journal of the American Chemical Society","2019","141","12","5045","5050","10.1021/jacs.9b00859","","","0.71073","MoKα","","0.082","0.0694","","","0.1963","0.2277","","","","","","1.199","","","","has coordinates","222050","2020-10-21","18:00:00",""
"4129048","9.9099","0.0017","9.9099","0.0017","9.9099","0.0017","90","","90","","90","","973.2","0.3","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","yttrium manganese oxide","diyttrium dimanganese(IV) heptoxide","","- Mn2 O7 Y2 -","- Mn2 O6.998 Y2 -","- Mn16 O55.984 Y16 -","8","0.0416667","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","","","","","","","","has coordinates","222051","2020-10-21","18:00:00",""
"4129049","5.6452","0.0004","7.3942","0.0004","5.2218","0.0003","90","","90","","90","","217.97","0.02","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","Yttrium manganese oxide","Yttrium trimanganese(III) trioxide","","- Mn O3.11 Y -","- Mn O3.11 Y -","- Mn4 O12.44 Y4 -","4","0.5","","Todd, Paul K.; Neilson, James R.","Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions.","Journal of the American Chemical Society","2019","141","3","1191","1195","10.1021/jacs.8b10123","","","1.54","neutron","","","","","","","","","","10.282","","","","","","","has coordinates","222052","2020-10-21","18:00:00",""
"4129050","8.4738","0.00019","14.00094","0.00036","11.47243","0.00031","90","","125.365","0.00084","90","","1109.95","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Lukin, Stipe; Tireli, Martina; Stolar, Tomislav; Barišić, Dajana; Blanco, Maria Valeria; di Michiel, Marco; Užarević, Krunoslav; Halasz, Ivan","Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions.","Journal of the American Chemical Society","2019","141","3","1212","1216","10.1021/jacs.8b12149","powder diffraction","","1.5418","CuKα","","","","","","","","0.025","","2.71","","","","","","","has coordinates","222053","2020-10-21","18:00:00",""
"4129051","17.4837","0.0014","17.4837","0.0014","29.713","0.003","90","","90","","120","","7865.8","1.2","172","2","172","2","","","","","","","","3","P 32","P 32","145","","","","- C28 H44 O3 -","- C28 H44 O3 -","- C336 H528 O36 -","12","4","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","0.71073","MoKα","","0.0524","0.0408","","","0.0862","0.0911","","","","","","1.001","","","","has coordinates","222054","2020-10-21","18:00:00",""
"4129052","6.3001","0.0002","15.0343","0.0004","31.3137","0.0009","90","","90","","90","","2965.96","0.15","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O5 -","- C32 H46 O5 -","- C128 H184 O20 -","4","1","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","1.54178","CuKα","","0.035","0.0327","","","0.0802","0.0818","","","","","","1.067","","","","has coordinates","222055","2020-10-21","18:00:00",""
"4129053","16.8035","0.0001","44.6481","0.0002","33.5757","0.0002","90","","94.1993","0.0005","90","","25122.4","0.2","123","2","123","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C92.5 H60 -","- C92.5 H60 -","- C1480 H960 -","16","4","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","x-ray","1.54184","CuKα","","0.0513","0.0499","","","0.138","0.1392","","","","","","1.055","","","","has coordinates,has disorder","222077","2020-10-21","18:00:00",""
"4129054","15.0733","0.0003","23.607","0.0005","11.7842","0.0002","90","","108.122","0.002","90","","3985.24","0.14","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cl6 -","- C52 H30 Cl6 -","- C208 H120 Cl24 -","4","1","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","","1.54184","CuKα","","0.0715","0.0654","","","0.1875","0.1934","","","","","","1.031","","","","has coordinates,has disorder","222078","2020-10-21","18:00:00",""
"4129055","9.9588","0.0001","18.0963","0.0003","23.5648","0.0004","88.1162","0.0014","78.2974","0.0012","80.0559","0.0011","4096.03","0.11","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","","","- C117 H88 -","- C117 H88 -","- C234 H176 -","2","1","","Oniki, Jumpei; Moriuchi, Toshiyuki; Kamochi, Kosuke; Tobisu, Mamoru; Amaya, Toru","Linear [3]Spirobifluorenylene: An S-Shaped Molecular Geometry of <i>p</i>-Oligophenyls.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09179","","x-ray","1.54184","CuKα","","0.112","0.107","","","0.2314","0.235","","","","","","1.174","","","","has coordinates,has disorder","222079","2020-10-21","18:00:00",""
"4129056","5.5416","0.0003","18.2648","0.0008","7.2069","0.0004","90","","110.896","0.006","90","","681.48","0.07","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-fluoro-3-((1r,4r)-4-phenylcyclohexyl)benzene","","- C18 H19 F -","- C18 H19 F -","- C36 H38 F2 -","2","0.5","","Li, Jie; Ren, Qianyi; Cheng, Xinyi; Karaghiosoff, Konstantin; Knochel, Paul","Chromium(II)-Catalyzed Diastereoselective and Chemoselective Csp<sup>2</sup>-Csp<sup>3</sup> Cross-Couplings Using Organomagnesium Reagents.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08586","","","0.71073","MoKα","","0.0541","0.045","","","0.1115","0.1182","","","","","","1.051","","","","has coordinates,has disorder","222080","2020-10-21","18:00:00",""
"4129057","13.3866","0.0012","22.472","0.002","18.1039","0.0017","90","","99.497","0.002","90","","5371.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cl6 F6 K O8 P -","- C50 H44 F6 K O8 P -","- C200 H176 F24 K4 O32 P4 -","4","0.5","","David, Arthur H. G.; Casares, Raquel; Cuerva, Juan M.; Campaña, Araceli G; Blanco, Victor","A [2]Rotaxane-Based Circularly Polarized Luminescence Switch.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07143","","","0.71073","MoKα","","0.1546","0.1142","","","0.3619","0.4004","","","","","","1.343","","","","has coordinates,has disorder","222081","2020-10-21","18:00:00",""
"4129058","9.916","0.003","12.574","0.004","13.151","0.004","93.674","0.003","103.439","0.004","107.172","0.004","1508.1","0.8","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C44 H28 -","- C44 H28 -","- C88 H56 -","2","1","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71075","MoKα","","","0.0554","","","","0.1317","","","","","","1.052","","","","has coordinates","222082","2020-10-21","18:00:00",""
"4129059","18.0595","0.0006","6.7674","0.0002","14.6897","0.0006","90","","104.488","0.004","90","","1738.22","0.11","293","","293","","","","","","","","","2","C 1 2 1","C 2y","5","","yi190108-hys-293K","","- C52 H32 -","- C52 H32 -","- C104 H64 -","2","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","x-ray","1.54184","CuKα","","0.1201","0.1191","","","0.2996","0.301","","","","","","1.511","","","","has coordinates","222083","2020-10-21","18:00:00",""
"4129060","10.138","0.01","11.36","0.011","26.59","0.03","90","","96.684","0.016","90","","3041","5","150","","150","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 -","- C44 H28 -","- C176 H112 -","4","1","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71075","MoKα","","","0.0983","","","","0.2596","","","","","","0.866","","","","has coordinates","222084","2020-10-21","18:00:00",""
"4129061","9.5813","0.0005","9.7045","0.0004","14.8304","0.0007","71.271","0.004","76.563","0.004","84.617","0.004","1269.91","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cl12 N2 Sb2 -","- C48 H28 Cl12 N2 Sb2 -","- C48 H28 Cl12 N2 Sb2 -","1","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71073","MoKα","","","0.042","","","","0.1295","","","","","","1.128","","","","has coordinates","222085","2020-10-21","18:00:00",""
"4129062","8.73705","0.00006","16.80505","0.00011","25.89795","0.00019","90","","96.3243","0.0007","90","","3779.37","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","yi180806-hys","","- C53 H34 Cl2 -","- C53 H31 Cl2 -","- C212 H124 Cl8 -","4","1","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","x-ray","1.54184","CuKα","","0.0618","0.0595","","","0.1584","0.1604","","","","","","1.055","","","","has coordinates,has disorder","222086","2020-10-21","18:00:00",""
"4129063","10.326","0.002","14.178","0.003","11.546","0.002","90","","99.37","0.018","90","","1667.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 B2 F8 -","- C44 H28 B2 F8 -","- C88 H56 B4 F16 -","2","0.5","","Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori","Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09646","","","0.71073","MoKα","","","0.0764","","","","0.2095","","","","","","1.062","","","","has coordinates","222087","2020-10-21","18:00:00",""
"4129064","7.01246","0.000016","7.01246","","11.67347","0.00006","90","","90","","120","","497.132","0.003","260","2","260","2","","","","","","","","4","P 63/m","-P 6c","176","Me-AZADO_radical","","","- C20 H32.01 N2 O2 -","- C20.004 H32.0064 N2.0004 O2.0004 -","- C20.004 H32.0064 N2.0004 O2.0004 -","1","0.0833333","","Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael","Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09533","powder diffraction","x-ray","0.414561","synchrotron","","","","","","","","0.27526","","1.77","","","","","","","has coordinates","223255","2020-10-21","18:00:00",""
"4129065","12.98637","0.00007","11.75812","0.00008","11.72942","0.00008","90","","90","","90","","1791.03","0.02","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Me-AZADO_dimer","","","- C10 H16 N O -","- C10 H16 N O -","- C80 H128 N8 O8 -","8","1","","Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael","Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09533","powder diffraction","x-ray","0.4146","synchrotron","","","","","","","","0.20328","","1.78","","","","","","","has coordinates","223256","2020-10-21","18:00:00",""
"4129066","13.166","0.003","21.376","0.004","17.171","0.003","90","","108.84","0.03","90","","4573.6","1.8","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Al N4 O P -","- C56 H60 Al N4 O P -","- C224 H240 Al4 N16 O4 P4 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","","0.71073","MoKα","","0.1763","0.0679","","","0.1392","0.174","","","","","","1.009","","","","has coordinates","223257","2020-10-21","18:00:00",""
"4129067","11.577","0.0003","15.551","0.0004","22.4542","0.0006","90","","100.411","0.003","90","","3975.97","0.18","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Al Li N4 O4 -","- C44 H64 Al Li N4 O4 -","- C176 H256 Al4 Li4 N16 O16 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","K-L~2,3~","0.138","0.095","","","0.2694","0.3094","","","","","","1.025","","","","has coordinates,has disorder","223258","2020-10-21","18:00:00",""
"4129068","25.455","0.004","16.621","0.003","23.761","0.004","90","","107.829","0.011","90","","9570","3","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H55 Al Cl3 N4 P -","- C53.5 H55 Al Cl3 N4 P -","- C428 H440 Al8 Cl24 N32 P8 -","8","2","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.0753","0.0601","","","0.1619","0.1724","","","","","","1.032","","","","has coordinates","223259","2020-10-21","18:00:00",""
"4129069","10.557","0.002","13.324","0.003","32.734","0.007","90","","90","","90","","4604.4","1.7","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 Al Li N4 O5 -","- C48 H72 Al Li N4 O5 -","- C192 H288 Al4 Li4 N16 O20 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.1404","0.0666","","","0.1434","0.1769","","","","","","1.008","","","","has coordinates,has disorder","223260","2020-10-21","18:00:00",""
"4129070","15.5499","0.0002","18.1193","0.0003","22.071","0.0003","90","","96.3437","0.0012","90","","6180.5","0.16","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H79 Al F7 Li2 N4 O8 -","- C65 H78.944 Al F7 Li2 N4 O8 -","- C260 H315.776 Al4 F28 Li8 N16 O32 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","1.54184","CuKα","K-L~2,3~","0.0695","0.0544","","","0.144","0.1552","","","","","","1.022","","","","has coordinates,has disorder","223261","2020-10-21","18:00:00",""
"4129071","10.944","0.002","13.9","0.003","25.428","0.005","90","","93.94","0.03","90","","3859","1.3","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Al Li N4 O3 -","- C40 H60 Al Li N4 O3 -","- C160 H240 Al4 Li4 N16 O12 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.1252","0.0653","","","0.1735","0.2066","","","","","","1.035","","","","has coordinates,has disorder","223262","2020-10-21","18:00:00",""
"4129072","12.157","0.002","23.544","0.005","39.927","0.008","90","","98.21","0.03","90","","11311","4","120","2","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H89 Al Li2 N4 O11 -","- C50 H88.6445 Al Li2 N4 O11 -","- C400 H709.156 Al8 Li16 N32 O88 -","8","2","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.2215","0.0875","","","0.2015","0.257","","","","","","1.016","","","","has coordinates,has disorder","223263","2020-10-21","18:00:00",""
"4129073","29.44","0.004","29.44","0.004","41.56","0.004","90","","90","","90","","36021","8","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C63 H36 N6 O33 Rh6 -","- C63 H36 N6 O33 Rh6 -","- C504 H288 N48 O264 Rh48 -","8","0.5","","Grancha, Thais; Carne-Sanchez, Arnau; Hernández-López, Laura; Albalad, Jorge; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Phase Transfer of Rhodium(II)-Based Metal-Organic Polyhedra Bearing Coordinatively-Bound Cargo Enables Molecular Separation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10403","","","0.72656","synchrotron","","0.0998","0.0945","","","0.3583","0.3806","","","","","","1.973","","","","has coordinates","223369","2020-10-21","18:00:00",""
"4129074","11.3601","0.0007","5.8169","0.0003","13.5193","0.0009","90","","107.48","0.003","90","","852.11","0.09","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Title","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129075","11.8237","0.0003","11.8237","0.0003","19.047","0.0005","90","","90","","120","","2306.03","0.1","","","","","","","","","","","","4","P 32 2 1","P 32 2""","154","","Title","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C108 H90 N6 O30 -","6","1","","Tanwar, Lalita; Börgel, Jonas; Ritter, Tobias","Synthesis of Benzylic Alcohols by C-H Oxidation.","Journal of the American Chemical Society","2019","141","45","17983","17988","10.1021/jacs.9b09496","","","","","","","","","","","","","","","","","","","","","has coordinates","246566","2020-10-21","18:00:00",""
"4129076","5.5273","0.0018","5.5273","0.0018","35.91","0.04","90","","90","","90","","1097.1","1.3","473","2","473","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C14 H20 Cl4 F2 N2 Pb -","- C14 H20 Cl4 F2 N2 Pb -","- C28 H40 Cl8 F4 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.2127","0.1634","","","0.3559","0.3881","","","","","","1.157","","","","has coordinates","223372","2020-10-21","18:00:00",""
"4129077","7.7195","0.0004","34.73","0.003","7.813","0.0006","90","","90","","90","","2094.7","0.3","300","2","300","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C56 H72 Cl16 F8 N8 Pb4 -","4","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.1291","0.1031","","","0.2622","0.2844","","","","","","1.123","","","","has coordinates","223373","2020-10-21","18:00:00",""
"4129078","33.6194","0.0008","7.8738","0.0002","7.6832","0.0002","90","","90","","90","","2033.84","0.09","300","2","300","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C56 H72 Cl16 F8 N8 Pb4 -","4","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0182","0.0168","","","0.037","0.0373","","","","","","1.071","","","","has coordinates","223374","2020-10-21","18:00:00",""
"4129079","5.5213","0.0002","5.5213","0.0002","34.208","0.005","90","","90","","90","","1042.82","0.16","493","2","493","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C14 H20 Cl4 N2 Pb -","- C14 H20 Cl4 N2 Pb -","- C28 H40 Cl8 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0542","0.0417","","","0.0913","0.0972","","","","","","1.124","","","","has coordinates","223375","2020-10-21","18:00:00",""
"4129080","5.5315","0.0002","5.5315","0.0002","35.712","0.007","90","","90","","90","","1092.7","0.2","493","2","493","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C28 H36 Cl8 F4 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0688","0.0593","","","0.1438","0.1486","","","","","","1.237","","","","has coordinates","223376","2020-10-21","18:00:00",""
"4129081","17.3916","0.0013","7.5212","0.0005","7.7601","0.0005","90","","93.879","0.006","90","","1012.74","0.12","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C28 H36 Cl8 F4 N4 Pb2 -","2","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0427","0.0298","","","0.0775","0.0848","","","","","","1.13","","","","has coordinates","223377","2020-10-21","18:00:00",""
"4129082","5.5408","0.0001","5.5408","0.0001","34.042","0.003","90","","90","","90","","1045.11","0.1","463","2","463","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C28 H36 Cl8 F4 N4 Pb2 -","2","0.0625","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0719","0.0646","","","0.1908","0.1976","","","","","","1.124","","","","has coordinates","223378","2020-10-21","18:00:00",""
"4129083","5.3944","0.00006","18.0328","0.0002","29.9372","0.0004","90","","90","","90","","2912.18","0.06","298.43","0.11","298.43","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C136 H112 O40 -","8","2","","Pyser, Joshua B.; Baker Dockrey, Summer A.; Benítez, Attabey Rodríguez; Joyce, Leo A.; Wiscons, Ren A.; Smith, Janet L.; Narayan, Alison R. H.","Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products.","Journal of the American Chemical Society","2019","141","46","18551","18559","10.1021/jacs.9b09385","","x-ray","1.54184","CuKα","","0.0332","0.03","","","0.0784","0.0846","","","","","","1.052","","","","has coordinates","246557","2020-10-21","18:00:00",""
"4129084","14.9071","0.0005","15.8745","0.0005","18.8299","0.0006","94.574","0.003","103.809","0.003","110.373","0.003","3991.1","0.3","150","0.14","150","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C68 H67 N5 Ni O2 -","- C68 H67 N5 Ni O2 -","- C136 H134 N10 Ni2 O4 -","2","1","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","x-ray","1.54184","CuKα","","0.0999","0.0764","","","0.2374","0.2569","","","","","","1.08","","","","has coordinates,has disorder","246555","2020-10-21","18:00:00",""
"4129085","15.45","0.005","17.79","0.005","18.18","0.005","115.78","0.08","93.59","0.08","114.36","0.08","3917","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H124 N8 Ni2 -","- C132 H124 N8 Ni2 -","- C132 H124 N8 Ni2 -","1","0.5","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","","0.70173","synchrotron","","0.2121","0.1289","","","0.3729","0.4427","","","","","","1.243","","","","has coordinates","246555","2020-10-21","18:00:00",""
"4129086","15.83","0.005","34.13","0.005","30.67","0.005","90","","90.14","0.08","90","","16570","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C192 H124 N8 Ni2 -","- C192 H124 N8 Ni2 -","- C768 H496 N32 Ni8 -","4","1","","Xu, Youzhi; Gsänger, Sebastian; Minameyer, Martin B.; Imaz, Inhar; Maspoch, Daniel; Shyshov, Oleksandr; Schwer, Fabian; Ribas, Xavi; Drewello, Thomas; Meyer, Bernd; von Delius, Max","Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.","Journal of the American Chemical Society","2019","141","46","18500","18507","10.1021/jacs.9b08584","","","0.72656","synchrotron","","0.1915","0.1632","","","0.4829","0.5189","","","","","","2.346","","","","has coordinates","246555","2020-10-21","18:00:00",""
"4129087","10.8939","0.0003","10.9617","0.0002","16.6476","0.0004","85.1872","0.0018","75.261","0.002","78.5459","0.0019","1883.11","0.08","101","1","101","1","","","","","","","","3","P -1","-P 1","2","","","","- C41 H62 Si2 -","- C41 H62 Si2 -","- C82 H124 Si4 -","2","1","","Yang, Sanghee; Kang, Sung-Yun; Choi, Tae-Lim","Morphologically Tunable Square and Rectangular Nanosheets of a Simple Conjugated Homopolymer by Changing Solvents","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10904","","x-ray","1.54184","CuKα","","0.0363","0.0347","","","0.0858","0.0867","","","","","","1.052","","","","has coordinates","227676","2020-10-21","18:00:00",""
"4129088","6.3111","0.0004","9.3707","0.0005","30.764","0.003","90","","90","","90","","1819.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(Methylamino)-2-(4-nitrophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Gonçalves, Carlos R; Lemmerer, Miran; Teskey, Christopher J.; Adler, Pauline; Kaiser, Daniel; Maryasin, Boris; González, Leticia; Maulide, Nuno","Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles.","Journal of the American Chemical Society","2019","141","46","18437","18443","10.1021/jacs.9b06956","","","0.71073","MoKα","","0.057","0.0457","","","0.1019","0.1096","","","","","","1.06","","","","has coordinates","246554","2020-10-21","18:00:00",""
"4129089","10.7706","0.0006","12.8085","0.0007","15.9271","0.0009","96.76","0.002","104.61","0.002","94.684","0.002","2097.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 Cl2 N2 O10 Ru -","- C42 H56 Cl2 N2 O10 Ru -","- C84 H112 Cl4 N4 O20 Ru2 -","2","1","","Zhu, Jun; Chen, Peng-Hao; Lu, Gang; Liu, Peng; Dong, Guangbin","Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl-Aryl Bonds: Reaction Development and Mechanistic Study.","Journal of the American Chemical Society","2019","141","46","18630","18640","10.1021/jacs.9b11605","","","0.71073","MoKα","","0.0479","0.0319","","","0.0605","0.0647","","","","","","1.04","","","","has coordinates","246556","2020-10-21","18:00:00",""
"4129090","9.2034","0.0002","21.8162","0.0004","9.4423","0.0002","90","","116.195","0.003","90","","1701.15","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","2","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0406","0.0403","","","0.1034","0.1037","","","","","","1.058","","","","has coordinates","227679","2020-10-21","18:00:00",""
"4129091","8.4638","0.0004","11.0323","0.0005","11.3821","0.0006","93.398","0.004","91.354","0.004","90.017","0.004","1060.64","0.09","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 F3 N4 O3 -","- C23 H21 F3 N4 O3 -","- C46 H42 F6 N8 O6 -","2","2","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0363","0.0334","","","0.0815","0.0834","","","","","","1.038","","","","has coordinates,has disorder","227680","2020-10-21","18:00:00",""
"4129092","13.6637","0.0002","13.6637","0.0002","22.893","0.0004","90","","90","","120","","3701.43","0.1","93","2","93","2","","","","","","","","6","P 61","P 61","169","","","","- C27 H25 Cl F3 N3 O3 -","- C27 H25 Cl F3 N3 O3 -","- C162 H150 Cl6 F18 N18 O18 -","6","1","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0494","0.0463","","","0.1143","0.1177","","","","","","1.056","","","","has coordinates,has disorder","227681","2020-10-21","18:00:00",""
"4129093","21.711","0.001","11.6334","0.0006","20.2589","0.001","90","","104.999","0.002","90","","4942.5","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 Ag2 F6 O12 P2 S2 -","- C52 H34 Ag2 F6 O12 P2 S2 -","- C208 H136 Ag8 F24 O48 P8 S8 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0852","0.0709","","","0.1913","0.2074","","","","","","1.086","","","","has coordinates,has disorder","227714","2020-10-21","18:00:00",""
"4129094","8.6233","0.0003","9.8147","0.0003","13.9858","0.0005","73.587","0.002","75.133","0.002","86.914","0.002","1097.22","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H15 Ag Cl N2 O7 P -","- C22 H15 Ag Cl N2 O7 P -","- C44 H30 Ag2 Cl2 N4 O14 P2 -","2","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0742","0.0725","","","0.224","0.2264","","","","","","1.114","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129095","13.9038","0.0007","13.9038","0.0007","17.3483","0.0009","90","","90","","90","","3353.7","0.3","150","","150","","","","","","","","","6","P 42/m","-P 4c","84","","","","- C79 H44 Cu2 I2 O12 P4 -","- C79 H44 Cu2 I2 O12 P4 -","- C158 H88 Cu4 I4 O24 P8 -","2","0.25","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0486","0.0458","","","0.134","0.1377","","","","","","1.102","","","","has coordinates,has disorder","227716","2020-10-21","18:00:00",""
"4129096","10.8679","0.0004","13.9505","0.0005","17.0453","0.0006","105.882","0.002","105.468","0.002","105.195","0.002","2233.61","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H27 Cl2 Cu2 O9 P3 -","- C54 H27 Cl2 Cu2 O9 P3 -","- C108 H54 Cl4 Cu4 O18 P6 -","2","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0622","0.0465","","","0.0847","0.0914","","","","","","1.09","","","","has coordinates,has disorder","227717","2020-10-21","18:00:00",""
"4129097","12.0917","0.0002","14.0561","0.0003","34.6177","0.0007","90","","98.119","0.001","90","","5824.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H36 B Cu F4 O12 P4 -","- C72 H36 B Cu F4 O12 P4 -","- C288 H144 B4 Cu4 F16 O48 P16 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0772","0.0735","","","0.1984","0.202","","","","","","1.029","","","","has coordinates,has disorder","227718","2020-10-21","18:00:00",""
"4129098","13.6619","0.0005","37.946","0.0014","13.6696","0.0006","90","","90","","90","","7086.5","0.5","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C75 H48 Cu F6 O15 P5 -","- C75 H48 Cu F6 O15 P5 -","- C300 H192 Cu4 F24 O60 P20 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0835","0.0708","","","0.1874","0.197","","","","","","1.048","","","","has coordinates,has disorder","227719","2020-10-21","18:00:00",""
"4129099","10.1347","0.0009","17.403","0.0014","20.81","0.002","86.369","0.004","80.154","0.005","89.061","0.004","3609","0.6","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C229 H76 Ag2 F6 O18 P4 S2 -","- C229 H76 Ag2 F6 O18 P4 S2 -","- C229 H76 Ag2 F6 O18 P4 S2 -","1","0.5","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.1208","0.1053","","","0.2958","0.3192","","","","","","1.152","","","","has coordinates,has disorder","227720","2020-10-21","18:00:00",""
"4129100","12.1132","0.0003","13.9653","0.0003","18.1189","0.0004","90","","107.042","0.001","90","","2930.49","0.12","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cl2 Cu2 O12 P4 -","- C72 H36 Cl2 Cu2 O12 P4 -","- C144 H72 Cl4 Cu4 O24 P8 -","2","0.5","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0293","0.0285","","","0.0776","0.0782","","","","","","1.056","","","","has coordinates","227722","2020-10-21","18:00:00",""
"4129101","12.2303","0.0003","14.1157","0.0003","34.823","0.0008","90","","98.635","0.001","90","","5943.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H36 Ag B F4 O12 P4 -","- C72 H36 Ag B F4 O12 P4 -","- C288 H144 Ag4 B4 F16 O48 P16 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0366","0.0357","","","0.0918","0.0924","","","","","","1.103","","","","has coordinates,has disorder","227723","2020-10-21","18:00:00",""
"4129102","11.8082","0.0007","16.1007","0.0009","12.8381","0.0007","90","","108.495","0.002","90","","2314.7","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Ag Cl O7 P -","- C25 H17 Ag Cl O7 P -","- C100 H68 Ag4 Cl4 O28 P4 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0623","0.0601","","","0.1632","0.1663","","","","","","1.079","","","","has coordinates,has disorder","227724","2020-10-21","18:00:00",""
"4129103","6.9434","0.0006","12.0474","0.001","12.4915","0.001","81.86","0.004","77.662","0.004","77.572","0.004","991.84","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Ag2 F6 O14 P2 S2 -","- C38 H22 Ag2 F6 O14 P2 S2 -","- C38 H22 Ag2 F6 O14 P2 S2 -","1","0.5","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0638","0.0593","","","0.1735","0.1793","","","","","","1.115","","","","has coordinates","227725","2020-10-21","18:00:00",""
"4129104","15.9672","0.0004","17.4963","0.0005","19.2176","0.0007","113.521","0.003","91.756","0.002","98.502","0.002","4844.7","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C104 H94 Cl12 N10 O4 -","- C104 H94 Cl12 N10 O4 -","- C208 H188 Cl24 N20 O8 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.082","0.0645","","","0.1724","0.1874","","","","","","1.016","","","","has coordinates,has disorder","246559","2020-10-21","18:00:00",""
"4129105","8.6711","0.0002","15.7062","0.0004","16.1757","0.0004","92.5156","0.0018","95.7126","0.0019","98.8312","0.0019","2162.12","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H49 Cl2 N5 O -","- C52 H49 Cl2 N5 O -","- C104 H98 Cl4 N10 O2 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0748","0.0687","","","0.1841","0.1886","","","","","","1.04","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129106","9.2009","0.0004","23.2963","0.0016","21.177","0.0013","90","","97.172","0.005","90","","4503.7","0.5","99.96","0.11","99.96","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 B Cl3 F2 N5 -","- C51 H47 B Cl3 F2 N5 -","- C204 H188 B4 Cl12 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.1278","0.0877","","","0.2326","0.2703","","","","","","1.033","","","","has coordinates,has disorder","246559","2020-10-21","18:00:00",""
"4129107","12.2842","0.0003","14.9772","0.0003","16.2006","0.0003","84.5774","0.0017","77.5388","0.0017","67.318","0.002","2685.11","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 Cl10 Cu N5 O2 -","- C53 H47 Cl10 Cu N5 O2 -","- C106 H94 Cl20 Cu2 N10 O4 -","2","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0524","0.0486","","","0.1322","0.1354","","","","","","1.058","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129108","20.739","0.0012","12.7534","0.0008","32.675","0.004","90","","96.259","0.008","90","","8590.8","1.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C50 H47 N5 -","- C50 H47 N5 -","- C400 H376 N40 -","8","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0907","0.0631","","","0.1613","0.1772","","","","","","1.009","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129109","11.90631","0.00013","16.82151","0.00016","21.0724","0.0002","90","","90","","90","","4220.42","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 B F2 N5 -","- C50 H46 B F2 N5 -","- C200 H184 B4 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1039","0.1054","","","","","","1.062","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129110","19.0466","0.0006","19.0466","0.0006","36.389","0.0012","90","","90","","90","","13200.9","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C31.59 H19.8 Al2 N1.2 O9.05 -","- C31.5928 H19.7964 Al2 N1.1976 O9.0524 -","- C252.742 H158.371 Al16 N9.5808 O72.4192 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.1465","0.125","","","0.323","0.3391","","","","","","1.423","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129111","18.7104","0.0005","18.7104","0.0005","37.1528","0.0011","90","","90","","90","","13006.4","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29 H19.5 Al2 O11.08 P0.5 -","- C29 H19.518 Al2 O11.071 P0.506 -","- C232 H156.144 Al16 O88.568 P4.048 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0523","0.0354","","","0.0802","0.0844","","","","","","0.905","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129112","18.1729","0.0008","18.1729","0.0008","37.6737","0.0017","90","","90","","90","","12441.9","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27 H17 Al2 O12.08 S0.86 -","- C27 H17 Al2 O12.0806 S0.8602 -","- C216 H136 Al16 O96.6448 S6.8816 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.0332","synchrotron","","0.035","0.0254","","","0.0542","0.057","","","","","","0.946","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129113","18.5778","0.0006","18.5778","0.0006","37.2977","0.0013","90","","90","","90","","12872.7","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.05 H17 Al2 N0.56 O10.56 -","- C29.7427 H22.0663 Al2 N0.5809 O10.5809 -","- C237.942 H176.53 Al16 N4.6472 O84.6472 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0814","0.0682","","","0.2051","0.2206","","","","","","1.041","","","","has coordinates","246562","2020-10-21","18:00:00",""
"4129114","18.4641","0.0006","18.4641","0.0006","37.4193","0.0012","90","","90","","90","","12757.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.8 H17.44 Al2 O10.15 S0.36 -","- C29.797 H19.4376 Al2 O10.1739 S0.3594 -","- C238.376 H155.501 Al16 O81.3912 S2.8752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0526","0.0491","","","0.1422","0.1466","","","","","","1.06","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129115","19.2915","0.0005","19.2915","0.0005","36.081","0.0011","90","","90","","90","","13428","0.6","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C33.75 H23.81 Al2 B0.51 N1.02 O10.21 -","- C33.7464 H23.8134 Al2 B0.5075 N1.015 O10.2147 -","- C269.971 H190.507 Al16 B4.06 N8.12 O81.7172 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0572","0.0544","","","0.1434","0.1479","","","","","","1.07","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129116","19.5339","0.0005","19.5339","0.0005","35.7057","0.001","90","","90","","90","","13624.3","0.6","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.98 H18.86 Al2 N2.59 O8.37 -","- C28.9746 H18.8624 Al2 N2.5872 O8.36855 -","- C231.797 H150.899 Al16 N20.6976 O66.9484 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0473","0.0459","","","0.1271","0.1288","","","","","","1.097","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129117","18.1702","0.0006","18.1702","0.0006","37.843","0.0014","90","","90","","90","","12494.1","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C27.45 H18.55 Al2 O11.03 P0.55 -","- C27.4502 H18.5496 Al2 O11.033 P0.5497 -","- C219.602 H148.397 Al16 O88.264 P4.3976 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0367","0.033","","","0.0871","0.089","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129118","19.4481","0.0006","19.4481","0.0006","35.7074","0.0013","90","","90","","90","","13505.6","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.81 H19.81 Al2 N1.87 O8 -","- C29.808 H19.808 Al2 N1.872 O8 -","- C238.464 H158.464 Al16 N14.976 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","1.54178","CuKα","","0.0716","0.0494","","","0.1214","0.131","","","","","","0.991","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129119","18.8135","0.0011","18.8135","0.0011","36.797","0.002","90","","90","","90","","13024.2","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C29.02 H19.04 Al2 N2.07 O9.21 -","- C29.018 H19.036 Al2 N2.072 O9.214 -","- C232.144 H152.288 Al16 N16.576 O73.712 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0422","0.0358","","","0.087","0.09","","","","","","0.992","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129120","18.6051","0.0008","18.6051","0.0008","37.384","0.0018","90","","90","","90","","12940.5","1","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.06 H24.02 Al2 N0.69 O11.09 P0.41 -","- C29.941 H24.071 Al2 N0.647 O11.161 P0.514 -","- C239.528 H192.568 Al16 N5.176 O89.288 P4.112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0369","0.0282","","","0.061","0.0631","","","","","","0.91","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129121","18.6986","0.0011","18.6986","0.0011","37.201","0.003","90","","90","","90","","13006.9","1.5","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.61 H21.53 Al2 O10.25 S0.52 -","- C30.6096 H21.5292 Al2 O10.25 S0.5219 -","- C244.877 H172.234 Al16 O82 S4.1752 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0646","0.0541","","","0.1465","0.156","","","","","","1.036","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129122","19.4353","0.0006","19.4353","0.0006","35.7957","0.0011","90","","90","","90","","13521.1","0.7","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C31 H21 Al2 Br N2 O8 -","- C31 H21 Al2 Br N2 O8 -","- C248 H168 Al16 Br8 N16 O64 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0777","0.0654","","","0.185","0.197","","","","","","1.009","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129123","18.6944","0.0006","18.6944","0.0006","37.0688","0.0012","90","","90","","90","","12954.8","0.7","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.5 H21.61 Al2 N2.17 O9.87 -","- C34.5016 H21.612 Al2 N2.1672 O9.8676 -","- C276.013 H172.896 Al16 N17.3376 O78.9408 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.1204","0.0997","","","0.2603","0.2815","","","","","","1.136","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129124","19.3331","0.0006","19.3331","0.0006","36.2317","0.0012","90","","90","","90","","13542.3","0.7","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C30.29 H19.53 Al2 N0.76 O9.35 -","- C30.2926 H19.5284 Al2 N0.7642 O9.34925 -","- C242.341 H156.227 Al16 N6.1136 O74.794 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0682","0.0556","","","0.1596","0.1704","","","","","","1.053","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129125","18.9","0.001","18.9","0.001","36.682","0.002","90","","90","","90","","13103.2","1.2","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.72 H18.69 Al2 N2.15 O8.57 -","- C28.718 H18.68 Al2 N2.154 O8.564 -","- C229.744 H149.44 Al16 N17.232 O68.512 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0344","0.0274","","","0.0711","0.0741","","","","","","0.984","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129126","19.4248","0.0007","19.4248","0.0007","35.7345","0.0013","90","","90","","90","","13483.4","0.8","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C37 H27 Al2 N1.8 O10.85 -","- C37 H27 Al2 N1.8 O10.85 -","- C296 H216 Al16 N14.4 O86.8 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0827","0.0795","","","0.219","0.2223","","","","","","1.105","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129127","18.9155","0.0009","18.9155","0.0009","36.6951","0.0019","90","","90","","90","","13129.4","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.66 H18.66 Al2 N1.97 O8.69 -","- C28.657 H18.657 Al2 N1.971 O8.686 -","- C229.256 H149.256 Al16 N15.768 O69.488 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0321","0.0245","","","0.0519","0.0538","","","","","","0.95","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129128","19.375","0.0009","19.375","0.0009","35.8159","0.0016","90","","90","","90","","13445","1.1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C36.71 H26.71 Al2 N1.74 O10.8 -","- C36.712 H26.712 Al2 N1.7422 O10.7958 -","- C293.696 H213.696 Al16 N13.9376 O86.3664 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0893","0.0873","","","0.2379","0.2398","","","","","","1.099","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129129","19.1935","0.0011","19.1935","0.0011","36.602","0.002","90","","90","","90","","13483.8","1.3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.3 H19.22 Al2 O10.76 P0.35 -","- C28.299 H19.22 Al2 O10.7605 P0.349 -","- C226.392 H153.76 Al16 O86.084 P2.792 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0731","0.0668","","","0.2","0.2053","","","","","","1.076","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129130","18.9892","0.0008","18.9892","0.0008","36.9796","0.0015","90","","90","","90","","13334.5","1","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C28.73 H21.63 Al2 O10.09 P0.73 -","- C28.7264 H21.632 Al2 O10.0858 P0.7264 -","- C229.811 H173.056 Al16 O80.6862 P5.8112 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","x-ray","0.7288","synchrotron","","0.0513","0.0476","","","0.1358","0.1396","","","","","","1.065","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129131","19.079","0.003","19.079","0.003","36.683","0.005","90","","90","","90","","13353","3","100","","100","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C34.45 H22.72 Al2 N1.83 O10.47 -","- C34.4508 H22.716 Al2 N1.834 O10.4699 -","- C275.606 H181.728 Al16 N14.672 O83.7596 -","8","1","","Pei, Xiaokun; Bürgi, Hans-Beat; Kapustin, Eugene A.; Liu, Yuzhong; Yaghi, Omar M.","Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.","Journal of the American Chemical Society","2019","141","47","18862","18869","10.1021/jacs.9b10501","","","0.7288","synchrotron","","0.0587","0.0532","","","0.145","0.1504","","","","","","1.077","","","","has coordinates,has disorder","246562","2020-10-21","18:00:00",""
"4129132","14.228","0.003","13.62","0.003","18.353","0.004","90","","100.239","0.004","90","","3499.9","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B F6 Mo N10 O5 S -","- C27 H33 B F6 Mo N10 O5 S -","- C108 H132 B4 F24 Mo4 N40 O20 S4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0573","0.0348","","","0.0731","0.0816","","","","","","1.016","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129133","15.5566","0.0011","25.0893","0.0016","19.727","0.002","90","","102.353","0.002","90","","7521.3","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 B Cl2 F3 Mo N10 O -","- C30 H34 B Cl2 F3 Mo N10 O -","- C240 H272 B8 Cl16 F24 Mo8 N80 O8 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.1101","0.0595","","","0.1391","0.1607","","","","","","1.028","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129134","13.8205","0.0008","25.6573","0.0019","20.2557","0.0014","90","","92.501","0.003","90","","7175.8","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62.99 H67.99 B2 Cl1.99 F12 Mo2 N20 O4 -","- C62.9939 H67.9878 B2 Cl1.9878 F12 Mo2 N20 O4 -","- C251.976 H271.951 B8 Cl7.9512 F48 Mo8 N80 O16 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0643","0.0421","","","0.09","0.1029","","","","","","1.044","","","","has coordinates,has disorder","246563","2020-10-21","18:00:00",""
"4129135","11.3506","0.0008","12.5625","0.0009","14.3264","0.0011","84.529","0.002","72.615","0.002","88.843","0.002","1940.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H36 B Cl4 F3 Mo N10 O3 -","- C32 H36 B Cl4 F3 Mo N10 O3 -","- C64 H72 B2 Cl8 F6 Mo2 N20 O6 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0546","0.0363","","","0.0779","0.0852","","","","","","1.023","","","","has coordinates,has disorder","246563","2020-10-21","18:00:00",""
"4129136","13.745","0.0006","15.2669","0.0008","13.937","0.0006","90","","105.432","0.001","90","","2819.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5-JHW-217","","","- C24 H30 B F3 Mo N10 O -","- C24 H30 B F3 Mo N10 O -","- C96 H120 B4 F12 Mo4 N40 O4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.059","0.0304","","","0.0616","0.0713","","","","","","1.019","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129137","13.817","0.0013","15.5253","0.0015","14.0856","0.0013","90","","104.603","0.002","90","","2923.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5-JHW-227","","","- C26 H32 B F3 Mo N10 O -","- C26 H32 B F3 Mo N10 O -","- C104 H128 B4 F12 Mo4 N40 O4 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0803","0.0461","","","0.0765","0.0854","","","","","","1.05","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129138","12.4233","0.0009","15.1163","0.0011","19.2382","0.0014","109.409","0.001","90.253","0.001","109.324","0.001","3188.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","5-JHW-245","","","- C27 H34 B F3 Mo N10 O3 -","- C27 H34 B F3 Mo N10 O3 -","- C108 H136 B4 F12 Mo4 N40 O12 -","4","2","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0852","0.0416","","","0.0788","0.0916","","","","","","1.017","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129139","12.423","0.001","18.4355","0.0015","19.7901","0.0016","98.941","0.001","94.15","0.001","97.286","0.001","4421.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 B F3 Mo N10 O -","- C23 H28 B F3 Mo N10 O -","- C138 H168 B6 F18 Mo6 N60 O6 -","6","3","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0451","0.0297","","","0.0681","0.0745","","","","","","1.02","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129140","10.8231","0.0012","20.891","0.002","7.2837","0.0008","90","","90.103","0.003","90","","1646.9","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0321","0.029","","","0.0687","0.0701","","","","","","1.038","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129141","10.6487","0.0012","7.4485","0.0008","10.8541","0.0012","90","","102.152","0.008","90","","841.62","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-benzyl-2,9-dimethyl-4-(trifluoromethyl)-3a,4,7,7a-tetrahydro-1H-4,7-(epiminomethano)isoindole-1,3(2H)-dione","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C38 H38 F6 N4 O4 -","2","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0437","0.0382","","","0.092","0.0953","","","","","","1.029","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129142","11.0432","0.0011","11.4785","0.0011","16.9996","0.0016","101.568","0.003","97.159","0.003","110.427","0.003","1933.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F6 N2 O3 -","- C20 H18 F6 N2 O3 -","- C80 H72 F24 N8 O12 -","4","2","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.0503","0.0407","","","0.1092","0.1179","","","","","","1.053","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129143","19.0565","0.0011","7.1857","0.0004","26.1183","0.0014","90","","110.89","0.003","90","","3341.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 F3 N2 O4 -","- C19 H17 F3 N2 O4 -","- C152 H136 F24 N16 O32 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0387","0.0341","","","0.0868","0.09","","","","","","1.027","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129144","19.218","0.0009","8.0933","0.0004","20.8998","0.0016","90","","96.456","0.002","90","","3230.1","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 F3 N3 O2 -","- C18 H14 F3 N3 O2 -","- C144 H112 F24 N24 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.068","0.0549","","","0.1373","0.1479","","","","","","1.032","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129145","6.6579","0.0003","20.4939","0.0009","12.6239","0.0006","90","","104.427","0.003","90","","1668.17","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-benzyl-2-methyl-1-(trifluoromethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carbonitrile hydrochloride salt","","- C17 H18 Cl F3 N2 -","- C17 H18 Cl F3 N2 -","- C68 H72 Cl4 F12 N8 -","4","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","1.54178","CuKα","","0.0458","0.0382","","","0.0996","0.1037","","","","","","1.039","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129146","22.224","0.004","12.486","0.003","13.371","0.003","90","","92.751","0.006","90","","3706","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","10JHW085","Methyl 3-benzyl-2-methyl-1-(trifluoromethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate HCl salt","","- C18 H21 Cl F3 N O2 -","- C18 H21 Cl F3 N O2 -","- C144 H168 Cl8 F24 N8 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.1016","0.0479","","","0.0764","0.0895","","","","","","1","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129147","10.3107","0.0002","36.0951","0.0009","15.803","0.0005","90","","101.428","0.002","90","","5764.7","0.3","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 B F20 N2 O2 Si W -","- C58 H45 B F20 N2 O2 Si W -","- C232 H180 B4 F80 N8 O8 Si4 W4 -","4","1","","Fuchs, Julien; Irran, Elisabeth; Hrobárik, Peter; Klare, Hendrik F. T.; Oestreich, Martin","Si-H Bond Activation with Bullock's Cationic Tungsten(II) Catalyst: CO as Cooperating Ligand.","Journal of the American Chemical Society","2019","141","47","18845","18850","10.1021/jacs.9b10304","","x-ray","1.54184","CuKα","","0.0961","0.0525","","","0.114","0.1371","","","","","","1.024","","","","has coordinates,has disorder","246561","2020-10-21","18:00:00",""
"4129148","19.1639","0.0012","33.6907","0.0018","23.3216","0.0014","90","","107.481","0.004","90","","14362.1","1.5","100","2","100.04","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H84 F36 N6 P6 S30 -","- C111 H84 F36 N6 P6 S30 -","- C444 H336 F144 N24 P24 S120 -","4","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.1438","0.1031","","","0.2702","0.3071","","","","","","1.219","","","","has coordinates,has disorder","227895","2020-10-21","18:00:00",""
"4129149","14.644","0.014","15.121","0.015","18.731","0.017","106.37","0.02","95.64","0.02","98.51","0.03","3893","6","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H147 F36 N25 P6 -","- C158 H147 F36 N25 P6 -","- C158 H147 F36 N25 P6 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.0789","0.0437","","","0.1156","0.1265","","","","","","1.02","","","","has coordinates,has disorder","227896","2020-10-21","18:00:00",""
"4129150","9.8431","0.0011","11.9705","0.0015","13.632","0.0016","76.406","0.007","88.334","0.006","73.114","0.006","1492.6","0.3","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F24 N4 P4 S4 -","- C50 H38 F24 N4 P4 S4 -","- C50 H38 F24 N4 P4 S4 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.107","0.0818","","","0.2149","0.2339","","","","","","1.073","","","","has coordinates,has disorder","227897","2020-10-21","18:00:00",""
"4129151","33.639","0.003","13.6292","0.0013","40.821","0.004","90","","94.175","0.006","90","","18666","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H57 F36 N7 P6 -","- C68 H57 F36 N7 P6 -","- C544 H456 F288 N56 P48 -","8","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.194","0.1795","","","0.4517","0.4667","","","","","","1.771","","","","has coordinates,has disorder","227898","2020-10-21","18:00:00",""
"4129152","8.0844","0.0009","13.7453","0.0017","14.6707","0.0018","101.113","0.004","105.542","0.003","93.265","0.003","1531","0.3","100","2","100.14","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F24 N10 P4 -","- C56 H54 F24 N10 P4 -","- C56 H54 F24 N10 P4 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","0.71073","MoKα","","0.0577","0.0495","","","0.1429","0.1503","","","","","","1.029","","","","has coordinates,has disorder","227899","2020-10-21","18:00:00",""
"4129153","70.029","0.005","70.029","0.005","9.1062","0.0007","90","","90","","120","","38674","5","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H63 F36 N9 P6 -","- C72 H63 F36 N9 P6 -","- C1296 H1134 F648 N162 P108 -","18","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.2232","0.1402","","","0.3522","0.413","","","","","","1.18","","","","has coordinates,has disorder","227900","2020-10-21","18:00:00",""
"4129154","11.1018","0.0006","17.7461","0.0009","18.3231","0.0011","95.924","0.003","107.021","0.002","101.439","0.002","3332.8","0.3","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H114 F54 N22 P9 -","- C116 H114 F54 N22 P9 -","- C116 H114 F54 N22 P9 -","1","0.5","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.0952","0.0923","","","0.2588","0.2616","","","","","","1.023","","","","has coordinates,has disorder","227901","2020-10-21","18:00:00",""
"4129155","10.6121","0.0005","28.3323","0.0017","29.5331","0.0017","90","","91.988","0.003","90","","8874.2","0.8","100","2","99.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.07 H64.07 F24.27 N8 P4 S16.03 -","- C76.07 H64.07 F24.2761 N8 P4 S16.033 -","- C304.28 H256.28 F97.1044 N32 P16 S64.132 -","4","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.1028","0.0983","","","0.204","0.206","","","","","","1.239","","","","has coordinates,has disorder","227902","2020-10-21","18:00:00",""
"4129156","13.2121","0.0008","13.7722","0.0008","13.901","0.0008","87.677","0.003","84.304","0.003","69.418","0.003","2356.2","0.2","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 F24 N4 P4 -","- C44 H36 F24 N4 P4 -","- C88 H72 F48 N8 P8 -","2","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","0.71073","MoKα","","0.0702","0.0556","","","0.1452","0.1565","","","","","","1.027","","","","has coordinates,has disorder","227903","2020-10-21","18:00:00",""
"4129157","3.7553","0.0001","17.3319","0.0004","44.326","0.0014","90","","92.17","0.003","90","","2882.95","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Di(pyrazol-1-yl)pyrimid-2-one (HL1)","","- C10 H8 N6 O -","- C10 H8 N6 O -","- C120 H96 N72 O12 -","12","3","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.118","0.0782","","","0.1723","0.1889","","","","","","0.915","","","","has coordinates","246564","2020-10-21","18:00:00",""
"4129158","10.457","0.0003","15.2881","0.0004","15.3002","0.0004","86.767","0.002","77.965","0.003","76.781","0.002","2328.76","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[4,6-Di(pyrazol-1-yl)pyrimid-2-one]diaqua-bis[acetonitrile] iron(II) diperchlorate (compound 3)","","- C14 H18 Cl2 Fe N8 O11 -","- C14 H18 Cl2 Fe N8 O11 -","- C56 H72 Cl8 Fe4 N32 O44 -","4","2","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0677","0.0575","","","0.1615","0.1691","","","","","","1.087","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129159","10.0049","0.0009","10.1934","0.0011","11.1633","0.0011","109.358","0.009","94.272","0.007","91.322","0.008","1069.75","0.19","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","[4,6-Di(pyrazol-1-yl)pyrimid-2-one]triaqua[acetonitrile] iron(II) di[tetrafluoroborate] (compound 4)","","- C12 H17 B2 F8 Fe N7 O4 -","- C12 H17 B2 F8 Fe N7 O4 -","- C24 H34 B4 F16 Fe2 N14 O8 -","2","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0585","0.0532","","","0.1349","0.1399","","","","","","1.019","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129160","28.138","0.012","20.942","0.011","29.14","0.017","90","","93.17","0.04","90","","17145","15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H114 B7 F28 Fe9 N78 O18 -","- C528 H456 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0963","0.0805","","","0.259","0.2741","","","","","","1.089","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129161","17.279","0.0004","24.2218","0.0005","25.7224","0.0004","90","","99.479","0.002","90","","10618.6","0.4","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C159 H176.5 B7 F28 Fe9 N74.5 O20.5 -","- C159 H164.5 B7 F28 Fe9 N74.5 O20.5 -","- C318 H329 B14 F56 Fe18 N149 O41 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0759","0.0665","","","0.1862","0.1957","","","","","","1.024","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129162","28.3179","0.0003","21.082","0.0002","29.2509","0.0003","90","","92.81","0.001","90","","17441.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0873","0.0759","","","0.243","0.2554","","","","","","1.102","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129163","17.4969","0.0005","24.4003","0.0011","25.9749","0.0005","90","","98.569","0.002","90","","10965.7","0.6","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C152.8 H162.4 B7 F28 Fe9 N73.8 O19.3 -","- C152.8 H150.4 B7 F28 Fe9 N73.8 O19.3 -","- C305.6 H300.8 B14 F56 Fe18 N147.6 O38.6 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0854","0.071","","","0.2067","0.2233","","","","","","1.025","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129164","28.4475","0.0003","21.1969","0.0002","29.3353","0.0004","90","","92.571","0.001","90","","17671.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0947","0.0799","","","0.2479","0.2638","","","","","","1.07","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129165","28.1814","0.0003","20.9721","0.0002","29.1619","0.0004","90","","93.064","0.001","90","","17210.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dodecakis-[4,6-di(pyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate hexa-acetonitrile solvate","","- C132 H114 B7 F28 Fe9 N78 O18 -","- C132 H102 B7 F28 Fe9 N78 O18 -","- C528 H408 B28 F112 Fe36 N312 O72 -","4","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","0.6889","synchrotron","","0.0896","0.0785","","","0.2483","0.2595","","","","","","1.1","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129166","17.4408","0.0002","24.2929","0.0002","25.9866","0.0003","90","","99.074","0.001","90","","10872.4","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dodecakis-[4,6-di(4-methylpyrazol-1-yl)-2-hydroxypyrimidinate]octa-iron(II) hexa-aqua-iron(III) hepta-tetrafluoroborate acetonitrile diethyl ether solvate","","- C155 H166.5 B7 F28 Fe9 N74.5 O19.5 -","- C155 H154.5 B7 F28 Fe9 N74.5 O19.5 -","- C310 H309 B14 F56 Fe18 N149 O39 -","2","0.5","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0673","0.0566","","","0.1676","0.178","","","","","","1.022","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129167","6.3701","0.0004","8.0327","0.0006","12.0083","0.0011","77.757","0.007","88.305","0.006","75.102","0.006","580.09","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","4,6-Di(4-methylpyrazol-1-yl)pyrimid-2-one (HL2)","","- C12 H12 N6 O -","- C12 H12 N6 O -","- C24 H24 N12 O2 -","2","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.0575","0.0512","","","0.1359","0.1416","","","","","","1.037","","","","has coordinates","246564","2020-10-21","18:00:00",""
"4129168","11.1084","0.0002","9.5675","0.0001","21.0007","0.0004","90","","102.628","0.002","90","","2177.96","0.06","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Catena-[2-methyl-4,6-(pyrazol-1-yl)pyrimidine]-aqua-acetone-iron(II) ditetrafluoroborate monohydrate (compound 5.H2O)","","- C14 H20 B2 F8 Fe N6 O3 -","- C14 H20 B2 F8 Fe N6 O3 -","- C56 H80 B8 F32 Fe4 N24 O12 -","4","1","","Berdiell, Izar Capel; Hochdörffer, Tim; Desplanches, Cédric; Kulmaczewski, Rafal; Shahid, Namrah; Wolny, Juliusz A.; Warriner, Stuart L.; Cespedes, Oscar; Schünemann, Volker; Chastanet, Guillaume; Halcrow, Malcolm A.","Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.","Journal of the American Chemical Society","2019","141","47","18759","18770","10.1021/jacs.9b08862","","","1.54184","CuKα","","0.042","0.0372","","","0.0937","0.0969","","","","","","1.048","","","","has coordinates,has disorder","246564","2020-10-21","18:00:00",""
"4129169","10.40748","0.00019","18.4667","0.0004","11.24341","0.00019","90","","101.052","0.0017","90","","2120.82","0.07","295.9","0.3","295.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 Br O2 -","- C25 H23 Br O2 -","- C100 H92 Br4 O8 -","4","2","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.0553","0.0501","","","0.1394","0.1481","","","","","","1.031","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129170","14.6595","0.0006","9.9009","0.0003","16.7124","0.001","90","","110.621","0.006","90","","2270.3","0.2","294.2","0.6","294.2","0.6","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O2 -","- C26 H25 Br O2 -","- C104 H100 Br4 O8 -","4","1","","Chen, Xiao-Wang; Zhu, Lei; Gui, Yong-Yuan; Jing, Ke; Jiang, Yuan-Xu; Bo, Zhi-Yu; Lan, Yu; Li, Jing; Yu, Da-Gang","Highly Selective and Catalytic Generation of Acyclic Quaternary Carbon Stereocenters via Functionalization of 1,3-Dienes with CO<sub>2</sub>.","Journal of the American Chemical Society","2019","141","47","18825","18835","10.1021/jacs.9b09721","","x-ray","1.54184","CuKα","","0.066","0.0639","","","0.1649","0.1694","","","","","","1.047","","","","has coordinates","246558","2020-10-21","18:00:00",""
"4129171","10.4104","0.0004","10.4104","0.0004","10.4104","0.0004","90","","90","","90","","1128.24","0.08","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I1.01 Li5.74 S4.99 Sb0.92 Si0.08 -","- I1.007 Li5.76 S4.993 Sb0.924 Si0.076 -","- I4.028 Li23.04 S19.972 Sb3.696 Si0.304 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0099","0.0099","","","0.0226","0.0226","","","","","","1.153","","","","has coordinates","231055","2020-10-21","18:00:00",""
"4129172","10.33","0.002","10.33","0.002","10.33","0.002","90","","90","","90","","1102.3","0.4","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I0.93 Li6.16 S5.07 Sb0.38 Si0.62 -","- I0.927 Li6.12 S5.073 Sb0.378 Si0.622 -","- I3.708 Li24.48 S20.292 Sb1.512 Si2.488 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0195","0.0195","","","0.0469","0.0469","","","","","","1.128","","","","has coordinates","231056","2020-10-21","18:00:00",""
"4129173","10.3782","0.0003","10.3782","0.0003","10.3782","0.0003","90","","90","","90","","1117.81","0.06","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I0.99 Li6.07 S5.01 Sb0.66 Si0.34 -","- I0.988 Li6.048 S5.012 Sb0.658 Si0.342 -","- I3.952 Li24.192 S20.048 Sb2.632 Si1.368 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0077","0.0077","","","0.0209","0.0209","","","","","","1.364","","","","has coordinates","231057","2020-10-21","18:00:00",""
"4129174","10.354","0.004","10.354","0.004","10.354","0.004","90","","90","","90","","1110","0.7","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I0.96 Li6.28 S5.04 Sb0.55 Si0.45 -","- I0.963 Li6.24 S5.037 Sb0.549 Si0.451 -","- I3.852 Li24.96 S20.148 Sb2.196 Si1.804 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0129","0.0129","","","0.0246","0.0246","","","","","","1.049","","","","has coordinates","231058","2020-10-21","18:00:00",""
"4129175","10.4419","0.0006","10.4419","0.0006","10.4419","0.0006","90","","90","","90","","1138.51","0.11","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- I1.03 Li6.47 S4.97 Sb0.8 Sn0.2 -","- I1.033 Li6.48 S4.967 Sb0.8002 Sn0.1999 -","- I4.132 Li25.92 S19.868 Sb3.2008 Sn0.7996 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0096","0.0096","","","0.0236","0.0236","","","","","","1.063","","","","has coordinates","231059","2020-10-21","18:00:00",""
"4129176","10.4128","0.0016","10.4128","0.0016","10.4128","0.0016","90","","90","","90","","1129","0.3","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ge0.22 I0.99 Li5.96 S5.01 Sb0.78 -","- Ge0.22 I0.988 Li6 S5.012 Sb0.78 -","- Ge0.88 I3.952 Li24 S20.048 Sb3.12 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.009","0.009","","","0.0239","0.0239","","","","","","1.167","","","","has coordinates","231060","2020-10-21","18:00:00",""
"4129177","10.406","0.0019","10.406","0.0019","10.406","0.0019","90","","90","","90","","1126.8","0.4","280","2","280","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Ge0.43 I Li6.22 S5 Sb0.57 -","- Ge0.426 I0.996 Li6.24 S5.004 Sb0.574 -","- Ge1.704 I3.984 Li24.96 S20.016 Sb2.296 -","4","0.0416667","","Zhou, Laidong; Assoud, Abdeljalil; Zhang, Qiang; Wu, Xiaohan; Nazar, Linda F.","A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08357","","","0.71073","MoKα","","0.0079","0.0079","","","0.0187","0.0187","","","","","","1","","","","has coordinates","231061","2020-10-21","18:00:00",""
"4129179","23.4416","0.0004","23.4416","0.0004","63.1632","0.0019","90","","90","","90","","34708.7","1.3","170","2","170","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.2232","0.1159","","","0.353","0.4033","","","","","","1.06","","","","has coordinates","231141","2020-10-21","18:00:00",""
"4129180","23.1795","0.00006","23.1795","0.00006","62.6916","0.0003","90","","90","","90","","33683.5","0.2","30","2","30","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.2472","0.1344","","","0.3965","0.442","","","","","","1.15","","","","has coordinates","231142","2020-10-21","18:00:00",""
"4129181","23.7611","0.0014","23.7611","0.0014","63.745","0.004","90","","90","","90","","35990","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H124 Fe4 N32 W2 -","- C144 H124 Fe4 N32 W2 -","- C1152 H992 Fe32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1457","0.1064","","","0.2724","0.3301","","","","","","1.046","","","","has coordinates","231143","2020-10-21","18:00:00",""
"4129182","23.6836","0.001","23.6836","0.001","63.305","0.003","90","","90","","90","","35509","3","120","2","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Mn4 Mo2 N32 -","- C144 H128 Mn4 Mo2 N32 -","- C1152 H1024 Mn32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1484","0.1236","","","0.3645","0.3976","","","","","","1.796","","","","has coordinates","231144","2020-10-21","18:00:00",""
"4129183","23.1624","0.0003","23.1624","0.0003","62.6742","0.0012","90","","90","","90","","33624.5","0.9","30","","30","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.1629","0.0938","","","0.2746","0.3118","","","","","","1.107","","","","has coordinates","231145","2020-10-21","18:00:00",""
"4129184","23.7526","0.0005","23.7526","0.0005","63.7037","0.0016","90","","90","","90","","35940.7","1.4","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1268","0.0687","","","0.1871","0.2465","","","","","","1.03","","","","has coordinates","231146","2020-10-21","18:00:00",""
"4129185","23.5748","0.0009","23.5748","0.0009","62.588","0.003","90","","90","","90","","34785","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 N32 W2 -","- C144 H128 Fe4 N32 W2 -","- C1152 H1024 Fe32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1919","0.1777","","","0.4108","0.4227","","","","","","1.141","","","","has coordinates","231147","2020-10-21","18:00:00",""
"4129186","23.2521","0.0003","23.2521","0.0003","62.8697","0.0015","90","","90","","90","","33991.1","1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 Mo2 N32 -","- C144 H128 Fe4 Mo2 N32 -","- C1152 H1024 Fe32 Mo16 N256 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.6889","synchrotron","","0.1604","0.0973","","","0.2708","0.3121","","","","","","1.063","","","","has coordinates","231148","2020-10-21","18:00:00",""
"4129187","23.42","0.0009","23.42","0.0009","62.283","0.003","90","","90","","90","","34162","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Fe4 N32 W2 -","- C144 H128 Fe4 N32 W2 -","- C1152 H1024 Fe32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1693","0.1496","","","0.3561","0.374","","","","","","1.057","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129188","23.674","0.0014","23.674","0.0014","63.057","0.004","90","","90","","90","","35341","4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C144 H128 Mn4 N32 W2 -","- C144 H128 Mn4 N32 W2 -","- C1152 H1024 Mn32 N256 W16 -","8","0.5","","Arczyński, Mirosław; Stanek, Jan; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","Site-Selective Photoswitching of Two Distinct Magnetic Chromophores in a Propeller-Like Molecule To Achieve Four Different Magnetic States.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09576","","","0.71073","MoKα","","0.1584","0.1455","","","0.3391","0.3492","","","","","","1.087","","","","has coordinates,has disorder","231150","2020-10-21","18:00:00",""
"4129189","4.807","0.0002","7.0174","0.0002","14.3984","0.0006","90","","96.901","0.003","90","","482.18","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br N O -","- C10 H10 Br N O -","- C20 H20 Br2 N2 O2 -","2","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.0235","0.0235","","","0.0625","0.0625","","","","","","1.098","","","","has coordinates","231151","2020-10-21","18:00:00",""
"4129190","13.4873","0.0001","13.4873","0.0001","42.0533","0.0003","90","","90","","90","","7649.8","0.1","100","2","100","2","","","","","","","","9","P 43 21 2","P 4nw 2abw","96","","","","- C38 H36 Cl2 F6 N5 O2 P Ru S -","- C38 H36 Cl2 F6 N5 O2 P Ru S -","- C304 H288 Cl16 F48 N40 O16 P8 Ru8 S8 -","8","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.0308","0.028","","","0.0706","0.0717","","","","","","1.054","","","","has coordinates","231152","2020-10-21","18:00:00",""
"4129191","8.3443","0.0003","9.168","0.0002","21.3184","0.0009","90","","98.157","0.003","90","","1614.37","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H29 B2 F8 N7 Ru -","- C32 H29 B2 F8 N7 Ru -","- C64 H58 B4 F16 N14 Ru2 -","2","1","","Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric","Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09301","","","1.54186","CuKα","","0.059","0.0543","","","0.1341","0.1365","","","","","","0.995","","","","has coordinates,has disorder","231153","2020-10-21","18:00:00",""
"4129192","8.0846","0.0003","8.5347","0.0002","10.5749","0.0003","80.899","0.001","69.378","0.001","69.116","0.001","637.6","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C28 H20 O4 S4 -","2","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0434","0.039","","","0.1084","0.1135","","","","","","1.053","","","","has coordinates,has disorder","231154","2020-10-21","18:00:00",""
"4129193","11.6194","0.0003","14.9131","0.0004","19.1328","0.0006","90","","96.377","0.001","90","","3294.84","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl3 Ir O2 -","- C38 H34 Cl3 Ir O2 -","- C152 H136 Cl12 Ir4 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0339","0.0297","","","0.0778","0.0805","","","","","","1.06","","","","has coordinates","231155","2020-10-21","18:00:00",""
"4129194","27.87","0.0006","10.0336","0.0002","21.8371","0.0004","90","","95.852","0.001","90","","6074.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H37 Ir O4 -","- C33 H37 Ir O4 -","- C264 H296 Ir8 O32 -","8","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0415","0.0299","","","0.0708","0.0785","","","","","","1.018","","","","has coordinates","231156","2020-10-21","18:00:00",""
"4129195","8.4215","0.0005","12.5098","0.0006","14.2452","0.0007","84.708","0.002","75.309","0.002","80.479","0.002","1429.7","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F6 Ir O2 -","- C30 H27 F6 Ir O2 -","- C60 H54 F12 Ir2 O4 -","2","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0281","0.0254","","","0.062","0.0639","","","","","","1.065","","","","has coordinates,has disorder","231157","2020-10-21","18:00:00",""
"4129196","12.011","0.0006","15.6494","0.0007","13.2711","0.0006","90","","107.777","0.002","90","","2375.39","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Ir O2 -","- C27 H35 Ir O2 -","- C108 H140 Ir4 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0376","0.0305","","","0.0666","0.0708","","","","","","1.021","","","","has coordinates","231158","2020-10-21","18:00:00",""
"4129197","8.3749","0.0002","10.8449","0.0002","19.0538","0.0004","90","","96.956","0.001","90","","1717.82","0.06","170","2","169.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","1.34139","GaKα","","0.0628","0.0541","","","0.1329","0.1408","","","","","","1.043","","","","has coordinates","231159","2020-10-21","18:00:00",""
"4129198","11.4397","0.0004","8.1352","0.0003","37.4815","0.0015","90","","90","","90","","3488.2","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0555","0.0401","","","0.1002","0.1125","","","","","","1.037","","","","has coordinates","231160","2020-10-21","18:00:00",""
"4129199","14.9152","0.0004","11.8603","0.0003","15.7184","0.0004","90","","104.103","0.001","90","","2696.76","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Ir O2 -","- C33 H31 Ir O2 -","- C132 H124 Ir4 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0289","0.0214","","","0.0507","0.0557","","","","","","1.04","","","","has coordinates,has disorder","231161","2020-10-21","18:00:00",""
"4129200","13.8601","0.0004","8.3606","0.0003","16.7517","0.0006","90","","92.237","0.001","90","","1939.69","0.11","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O2 -","- C26 H22 O2 -","- C104 H88 O8 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0474","0.039","","","0.0945","0.1012","","","","","","1.047","","","","has coordinates","231163","2020-10-21","18:00:00",""
"4129201","12.6525","0.0006","20.2747","0.001","10.7989","0.0006","90","","109.136","0.002","90","","2617.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Ir O4 -","- C30 H33 Ir O4 -","- C120 H132 Ir4 O16 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0391","0.0301","","","0.0677","0.0725","","","","","","1.023","","","","has coordinates","231164","2020-10-21","18:00:00",""
"4129202","7.5725","0.0003","26.0736","0.0011","7.1934","0.0003","90","","95.429","0.001","90","","1413.91","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.05","0.0379","","","0.0979","0.1076","","","","","","1.038","","","","has coordinates","231165","2020-10-21","18:00:00",""
"4129203","10.1182","0.0003","10.2911","0.0004","10.6843","0.0004","75.883","0.001","71.142","0.001","61.139","0.001","916.85","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0564","0.0453","","","0.1181","0.1288","","","","","","1.075","","","","has coordinates","231166","2020-10-21","18:00:00",""
"4129204","8.053","0.004","7.997","0.003","18.536","0.008","90","","102.503","0.011","90","","1165.4","0.9","298","2","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C6 H20 Ag Bi Br7 Cs N2 -","- C6 H20 Ag Bi Br7 Cs N2 -","- C12 H40 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.2065","0.1304","","","0.2742","0.3171","","","","","","1.048","","","","has coordinates,has disorder","231167","2020-10-21","18:00:00",""
"4129205","8.1018","0.0003","8.2433","0.0003","9.6813","0.0004","101.196","0.001","92.055","0.002","90.396","0.001","633.79","0.04","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","1","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.0445","0.0421","","","0.114","0.1162","","","","","","1.085","","","","has coordinates","231168","2020-10-21","18:00:00",""
"4129206","8.2024","0.0007","8.1797","0.0006","21.1217","0.0018","90","","101.195","0.003","90","","1390.2","0.2","293","","293","","","","","","","","Precipitation from HBr solution","6","P 1 2/m 1","-P 2y","10","OCA4AgBiBr8","","","- C32 H80 Ag Bi Br8 N4 -","- C32 H80 Ag Bi Br8 N4 -","- C32 H80 Ag Bi Br8 N4 -","1","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","x-ray","0.71073","MoKα","","0.1223","0.0919","","","0.2714","0.2752","","","","5.54","5.54","4.65","","","","has coordinates","231169","2020-10-21","18:00:00",""
"4129207","7.454","0.003","7.866","0.003","24.629","0.008","90.141","0.01","89.992","0.01","90.049","0.011","1444.1","0.9","298","2","298.41","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 Ag Cl8 In N4 -","- C12 H40 Ag Cl8 In N4 -","- C24 H80 Ag2 Cl16 In2 N8 -","2","1","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1962","0.0771","","","0.1999","0.2696","","","","","","0.953","","","","has coordinates","231170","2020-10-21","18:00:00",""
"4129208","24.5633","0.0013","7.7838","0.0004","8.2501","0.0004","90","","90.091","0.002","90","","1577.38","0.14","293","","293","","","","","","","","Precipitation from HBr solution","6","C 1 2/m 1","-C 2y","12","PA4AgInBr8","","","- C12 H40 Ag Br8 In N4 -","- C12 H40 Ag Br8 In N4 -","- C24 H80 Ag2 Br16 In2 N8 -","2","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","x-ray","0.71073","MoKα","","0.0661","0.0496","","","0.1457","0.1472","","","","4.3","4.3","3.75","","","","has coordinates","231171","2020-10-21","18:00:00",""
"4129209","24.503","0.007","7.964","0.002","8.384","0.002","90","","90.045","0.009","90","","1636.1","0.7","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Ag Bi Br8 N4 -","- C12 H40 Ag Bi Br8 N4 -","- C24 H80 Ag2 Bi2 Br16 N8 -","2","0.25","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1389","0.0961","","","0.2679","0.2822","","","","","","1.125","","","","has coordinates,has disorder","231172","2020-10-21","18:00:00",""
"4129210","8.008","0.01","7.877","0.009","18.31","0.02","90","","102.6","0.03","90","","1127","2","293","2","293","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C6 H20 Ag Bi0.52 Br7 Cs In0.48 N2 -","- C6 H20 Ag Bi0.52 Br7 Cs In0.48 N2 -","- C12 H40 Ag2 Bi1.04 Br14 Cs2 In0.96 N4 -","2","0.5","","Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram","Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09945","","","0.71073","MoKα","","0.1908","0.1313","","","0.2581","0.2802","","","","","","1.16","","","","has coordinates,has disorder","231173","2020-10-21","18:00:00",""
"4129211","8.9596","0.0002","8.9596","0.0002","38.488","0.0011","90","","90","","90","","3089.6","0.13","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C15 H16 Br N3 O -","- C15 H16 Br N3 O -","- C120 H128 Br8 N24 O8 -","8","1","","Reid, Jolene P.; Proctor, Rupert S. J.; Sigman, Matthew S.; Phipps, Robert J.","Predictive Multivariate Linear Regression Analysis Guides Successful Catalytic Enantioselective Minisci Reactions of Diazines.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11658","","","1.54178","CuKα","","0.0381","0.0304","","","0.0603","0.0629","","","","","","1.028","","","","has coordinates","231174","2020-10-21","18:00:00",""
"4129212","9.6518","0.0004","11.5771","0.0004","23.0833","0.0011","78.419","0.002","87.129","0.002","62.511","0.0018","2238.84","0.17","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C92 H124 N20 O4 -","- C92 H109 N20 O4 -","- C92 H109 N20 O4 -","1","1","","Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.","Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10952","","","1.54187","CuKα","","0.2249","0.1049","","","0.2258","0.2922","","","","","","0.916","","","","has coordinates","231175","2020-10-21","18:00:00",""
"4129213","17.589","","27.1959","","19.5849","","90","","90","","90","","9368.41","","123","","123","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C90 H137 N17 O3 -","- C89 H23 N17 O3 -","- C356 H92 N68 O12 -","4","1","","Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.","Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10952","","","1.54187","CuKα","","0.3446","0.1066","","","0.239","0.3173","","","","","","1.067","","","","has coordinates","231176","2020-10-21","18:00:00",""
"4129214","9.8937","0.0016","9.8937","0.0016","10.0991","0.0017","90","","90","","90","","988.6","0.3","200","2","200.01","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- In8 Ir2 S -","- In8 Ir2 S -","- In32 Ir8 S4 -","4","0.25","","Khoury, Jason F.; Rettie, Alexander J. E.; Khan, Mojammel A.; Ghimire, Nirmal J.; Robredo, Iñigo; Pfluger, Jonathan E.; Pal, Koushik; Wolverton, Christopher; Bergara, Aitor; Jiang, Jidong Samuel; Schoop, Leslie M.; Vergniory, Maia G.; Mitchell, J. F.; Chung, Duck Young; Kanatzidis, Mercouri G.","A new three-dimensional subsulfide Ir<sub>2</sub>In<sub>8</sub>S with Dirac semimetal behavior.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10147","","","0.71073","MoKα","","0.0561","0.0551","","","0.1325","0.1329","","","","","","1.456","","","","has coordinates","231177","2020-10-21","18:00:00",""
"4132332","5.5573","0.0016","3.221","0.0011","6.278","0.002","90","","90","","90","","112.38","0.06","293","","293","","","","","","","","","2","P 21/n 1 1","-P 2xn","14","","","","- Ir Si -","- Ir Si -","- Ir4 Si4 -","4","1","","Mitchell Warden, Hillary E.; Fredrickson, Daniel C.","Frustrated and Allowed Structural Transitions: The Theory-Guided Discovery of the Modulated Structure of IrSi.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10473","","x-ray","0.71075","MoKα","","0.0633","0.0331","","","0.0663","0.0838","","","","1.23","1.23","1.04","","","","has coordinates","242316","2020-10-21","18:00:00",""
"4132334","10.6696","0.001","16.3169","0.0016","16.1767","0.0015","90","","92.512","0.009","90","","2813.6","0.5","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Ir Ta -","- C25 H48 Ir Ta -","- C100 H192 Ir4 Ta4 -","4","1","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0741","0.0513","","0.1541","0.1098","0.1541","","","","","","0.9892","","","","has coordinates,has disorder","242318","2020-10-21","18:00:00",""
"4132336","9.8249","0.0008","11.9731","0.0009","21.961","0.0011","94.585","0.005","95.53","0.006","105.728","0.007","2459.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H158 Ir2 O16 Si4 Ta2 -","- C78 H158 Ir2 O16 Si4 Ta2 -","- C78 H158 Ir2 O16 Si4 Ta2 -","1","0.5","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0947","0.0728","","0.1864","0.1659","0.1864","","","","","","1.0312","","","","has coordinates","242320","2020-10-21","18:00:00",""
"4132337","11.3629","0.0002","18.5429","0.0004","18.9187","0.0003","63.368","0.002","83.67","0.001","85.932","0.001","3540.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Ir O Ta -","- C38 H50 Ir O Ta -","- C152 H200 Ir4 O4 Ta4 -","4","2","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0615","0.0379","","","0.0708","0.0808","","","","","","1.103","","","","has coordinates","242321","2020-10-21","18:00:00",""
"4132339","14.4502","0.001","18.8905","0.0009","15.8769","0.0009","90","","94.102","0.005","90","","4322.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H76 Ir2 Ta2 -","- C40 H76 Ir2 Ta2 -","- C160 H304 Ir8 Ta8 -","4","0.5","","Lassalle, Sébastien; Jabbour, Ribal; Schiltz, Pauline; Berruyer, Pierrick; Todorova, Tanya K.; Veyre, Laurent; Gajan, David; Lesage, Anne; Thieuleux, Chloé; Camp, Clément","Metal-Metal Synergy in Well-Defined Surface Tantalum-Iridium Heterobimetallic Catalysts for H/D Exchange Reactions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08311","","x-ray","0.71073","MoKα","","0.0474","0.0401","","0.0986","0.0878","0.0986","","","","","","1.0174","","","","has coordinates","242323","2020-10-21","18:00:00",""
"4132341","10.115","0.0001","34.973","0.0004","11.6068","0.0001","90","","102.955","0.001","90","","4001.42","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H59.5 B N3 O2 -","- C45.5 H59.5 B N3 O2 -","- C182 H238 B4 N12 O8 -","4","1","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0512","0.0492","","","0.1162","0.1174","","","","","","1.085","","","","has coordinates","242325","2020-10-21","18:00:00",""
"4132343","11.65875","0.00004","27.05947","0.0001","23.62363","0.00009","90","","91.6951","0.0003","90","","7449.51","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H56 B N3 O2 -","- C42 H56 B N3 O2 -","- C336 H448 B8 N24 O16 -","8","4","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0379","0.0373","","","0.0975","0.0979","","","","","","1.039","","","","has coordinates","242327","2020-10-21","18:00:00",""
"4132345","23.4964","0.0002","19.2489","0.0002","16.7212","0.0001","90","","93.761","0.001","90","","7546.37","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H54 B N3 O2 -","- C42.5 H54 B N3 O2 -","- C340 H432 B8 N24 O16 -","8","2","","Wijaya, Andrew W.; Nguyen, Andy I.; Roe, Leah T.; Butterfoss, Glenn L.; Spencer, Ryan K.; Li, Nan K.; Zuckermann, Ronald N.","Cooperative Intramolecular Hydrogen Bonding Strongly Enforces cis-Peptoid Folding","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10497","","","1.54184","CuKα","","0.0465","0.0397","","","0.1015","0.1052","","","","","","1.071","","","","has coordinates","242329","2020-10-21","18:00:00",""
"4132347","9.1066","0.0004","10.0998","0.0004","18.5656","0.0006","83.294","0.003","77.888","0.003","63.691","0.003","1496.07","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 Ni -","- C17 H15 Br N2 Ni -","- C68 H60 Br4 N8 Ni4 -","4","2","","Mills, Leo Reginald; Graham, Joshua; Patel, Purvish; Rousseaux, Sophie A. L.","Ni-Catalyzed Reductive Cyanation of Aryl Halides and Phenol Derivatives via Transnitrilation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11208","","","1.54178","CuKα","","0.1058","0.0715","","","0.1537","0.1762","","","","","","1.034","","","","has coordinates","242331","2020-10-21","18:00:00",""
"4133227","25.9719","0.0005","23.5149","0.0006","18.9224","0.0003","90","","90","","90","","11556.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co8 Fe8 Na13 O233 P4 Si4 W36 -","- Co16 Fe16 Na26 O466 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0809","0.0644","","","0.1731","0.1903","","","","","","1.055","","","","has coordinates,has disorder","243064","2020-10-21","18:00:00",""
"4133228","23.4377","0.0004","25.9959","0.0005","18.9014","0.0004","90","","90","","90","","11516.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C8 Co12 Fe4 Na19 O232 P4 Si4 W36 -","- C8 Co12 Fe4 Na19 O234 P4 Si4 W36 -","- C16 Co24 Fe8 Na38 O468 P8 Si8 W72 -","2","0.25","","Han, Xin-Bao; Tang, Xing-Yan; Lin, Yue; Gracia-Espino, Eduardo; Liu, San-Gui; Liang, Hai-Wei; Hu, Guang-Zhi; Zhao, Xin-Jing; Liao, Hong-Gang; Tan, Yuan-Zhi; Wagberg, Thomas; Xie, Su-Yuan; Zheng, Lan-Sun","Ultrasmall Abundant Metal-Based Clusters as Oxygen-Evolving Catalysts.","Journal of the American Chemical Society","2019","141","1","232","239","10.1021/jacs.8b09076","","","1.54184","CuKα","","0.0915","0.0821","","","0.2188","0.2347","","","","","","1.056","","","","has coordinates,has disorder","243065","2020-10-21","18:00:00",""
"4133335","19.9187","0.0006","12.8361","0.0003","24.6531","0.0006","90","","101.661","0.003","90","","6173.2","0.3","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H81 N9 O2 -","- C69 H81 N9 O2 -","- C276 H324 N36 O8 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0581","0.0461","","","0.1061","0.1129","","","","","","1.023","","","","has coordinates,has disorder","243156","2020-10-21","18:00:00",""
"4133336","17.911","0.0004","19.5002","0.0004","21.732","0.0005","79.191","0.002","78.964","0.002","85.424","0.002","7310.2","0.3","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H80.5 Cl1.5 Co N9 O8 -","- C69 H80.5 Cl1.5 Co N9 O8 -","- C276 H322 Cl6 Co4 N36 O32 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.1172","0.0806","","","0.2039","0.2321","","","","","","1.058","","","","has coordinates,has disorder","243157","2020-10-21","18:00:00",""
"4133337","17.2694","0.0003","18.7541","0.0003","23.8381","0.0004","91.061","0.001","98.694","0.001","109.472","0.002","7175.6","0.2","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82.5 Cl2 Cu N3 O10.25 -","- C68 H82.5 Cl2 Cu N6 O10.25 -","- C272 H330 Cl8 Cu4 N24 O41 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","1.54184","CuKα","","0.1006","0.0857","","","0.2377","0.2517","","","","","","1.046","","","","has coordinates,has disorder","243158","2020-10-21","18:00:00",""
"4133338","14.16695","0.00019","15.3447","0.0002","33.0606","0.0004","80.6174","0.001","78.6057","0.001","85.0442","0.0011","6940.15","0.16","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68.5 H83.75 Cl2 Co N6 O10.38 -","- C68.5 H83.75 Cl2 Co N6 O10.375 -","- C274 H335 Cl8 Co4 N24 O41.5 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0582","0.0516","","","0.1309","0.1347","","","","","","1.024","","","","has coordinates,has disorder","243159","2020-10-21","18:00:00",""
"4133339","21.5821","0.0003","19.5966","0.0003","34.0945","0.0006","90","","103.984","0.002","90","","13992.4","0.4","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.33 H85 Cl2 N7.66 O10.25 Zn -","- C70.33 H84.995 Cl2 N7.665 O10.25 Zn -","- C562.64 H679.96 Cl16 N61.32 O82 Zn8 -","8","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0723","0.0604","","","0.1711","0.1786","","","","","","1.062","","","","has coordinates,has disorder","243160","2020-10-21","18:00:00",""
"4133340","15.3429","0.0003","29.8447","0.0005","16.0649","0.0003","90","","109.448","0.002","90","","6936.5","0.2","100","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H79 Cu F6 N6 O2 P -","- C67 H79 Cu F6 N6 O2 P -","- C268 H316 Cu4 F24 N24 O8 P4 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","0.71073","MoKα","","0.1016","0.0961","","","0.2145","0.2175","","","","","","1.13","","","","has coordinates,has disorder","243161","2020-10-21","18:00:00",""
"4133341","11.4007","0.0002","15.078","0.0003","22.0734","0.0004","107.853","0.002","93.183","0.002","108.418","0.002","3377.56","0.13","100","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H83.5 Cu F6 N9 O2.25 P -","- C70 H83.5 Cu F6 N9 O2.25 P -","- C140 H167 Cu2 F12 N18 O4.5 P2 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0633","0.0544","","","0.1261","0.1308","","","","","","1.091","","","","has coordinates,has disorder","243162","2020-10-21","18:00:00",""
"4133342","17.8219","0.0002","19.5882","0.0003","21.7632","0.0003","79.434","0.001","79.354","0.001","85.891","0.001","7334.52","0.18","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C69.25 H83 Cl2 Cu N9 O10.75 -","- C69.25 H83 Cl2 Cu N9 O10.75 -","- C277 H332 Cl8 Cu4 N36 O43 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0897","0.0846","","","0.2157","0.2198","","","","","","1.056","","","","has coordinates,has disorder","243163","2020-10-21","18:00:00",""
"4133343","17.6574","0.0002","19.5677","0.0003","22.0939","0.0003","79.326","0.001","79.151","0.001","85.4","0.001","7359.47","0.18","124.27","0.1","124.27","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70.2 H84.8 Cl1.5 N9 Ni O8.7 -","- C70.2 H84.8 Cl1.5 N9 Ni O8.7 -","- C280.8 H339.2 Cl6 N36 Ni4 O34.8 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.066","0.0588","","","0.1547","0.1619","","","","","","1.073","","","","has coordinates,has disorder","243164","2020-10-21","18:00:00",""
"4133344","11.882","0.002","16.596","0.003","17.724","0.004","88.443","0.005","86.436","0.006","79.605","0.006","3430.6","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H80 Cl3 F6 N3 O9 S2 Zn -","- C65 H80 Cl3 F6 N5 O9 S2 Zn -","- C130 H160 Cl6 F12 N10 O18 S4 Zn2 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","0.71073","MoKα","","0.0499","0.0423","","","0.1139","0.1224","","","","","","1.0455","","","","has coordinates","243165","2020-10-21","18:00:00",""
"4133345","17.6101","0.0003","19.8415","0.0005","21.9561","0.0004","78.626","0.002","79.156","0.001","84.487","0.002","7372.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H86 Cl2 N9 O10.5 Zn -","- C71 H86 Cl1.5 N9 O8.5 Zn -","- C284 H344 Cl6 N36 O34 Zn4 -","4","2","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","","1.54184","CuKα","","0.1638","0.1364","","","0.3719","0.3981","","","","","","1.449","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4133346","12.0642","0.0002","16.2582","0.0002","33.1294","0.0006","90","","90.603","0.002","90","","6497.71","0.18","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65.2 H83.8 Cl2 Cu N6.6 O11.4 -","- C65.2 H83.8 Cl2 Cu N6.6 O11.4 -","- C260.8 H335.2 Cl8 Cu4 N26.4 O45.6 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.1098","0.0728","","","0.2094","0.2619","","","","","","1.046","","","","has coordinates,has disorder","243167","2020-10-21","18:00:00",""
"4133347","19.0585","0.0002","12.4747","0.0001","25.7522","0.0002","90","","101.83","0.001","90","","5992.52","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H80 N6 O2 -","- C67 H80 N6 O2 -","- C268 H320 N24 O8 -","4","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","1.54184","CuKα","","0.0434","0.0404","","","0.0968","0.0989","","","","","","1.024","","","","has coordinates,has disorder","243168","2020-10-21","18:00:00",""
"4133348","14.9467","0.0003","15.04","0.0003","16.2204","0.0003","104.093","0.002","95.803","0.002","101.189","0.002","3426.92","0.13","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H90 Cl2 N3 Ni O11 -","- C71 H90 Cl2 N6 Ni O11 -","- C142 H180 Cl4 N12 Ni2 O22 -","2","1","","Cirulli, Martina; Kaur, Amanpreet; Lewis, James E. M.; Zhang, Zhihui; Kitchen, Jonathan A.; Goldup, Stephen M.; Roessler, Maxie M.","Rotaxane-Based Transition Metal Complexes: Effect of the Mechanical Bond on Structure and Electronic Properties.","Journal of the American Chemical Society","2019","141","2","879","889","10.1021/jacs.8b09715","","x-ray","0.71073","MoKα","","0.0369","0.0339","","","0.0839","0.0865","","","","","","1.054","","","","has coordinates,has disorder","243169","2020-10-21","18:00:00",""
"4133366","31.5083","0.0012","31.9261","0.0012","41.4205","0.0016","111.747","0.002","91.181","0.002","100.746","0.002","37838","3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C84 H1092 Ce8 Mo256 N42 Na6 O1270 -","- C75 Ce8 Mo256 N36 O1152.25 -","- C75 Ce8 Mo256 N36 O1152.25 -","1","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1093","0.0723","","","0.1787","0.2157","","","","","","1.084","","","","has coordinates,has disorder","243172","2020-10-21","18:00:00",""
"4133367","36.286","0.007","43.194","0.009","31.497","0.006","90","","108.25","0.03","90","","46883","18","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C110 H608 Mo154 N20 Na8 O716 -","- C45.2 H45.2 Mo154 N8 Na1.2 O624.2 -","- C90.4 H90.4 Mo308 N16 Na2.4 O1248.4 -","2","0.25","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1297","0.0804","","","0.1992","0.2485","","","","","","1.107","","","","has coordinates,has disorder","243173","2020-10-21","18:00:00",""
"4133368","35.3331","0.0015","47.455","0.002","20.2692","0.0009","90","","90","","90","","33986","3","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O610.2 -","- C96 H148 Ce8 Mo264 N48 O1220.4 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0436","0.0404","","","0.1063","0.1108","","","","","","1.089","","","","has coordinates,has disorder","243174","2020-10-21","18:00:00",""
"4133369","34.9681","0.0011","45.6548","0.0015","20.6531","0.0007","90","","90","","90","","32971.9","1.9","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C86 H94 Ce4 Mo124 N16 Na2 O556.3 -","- C172 H188 Ce8 Mo248 N32 Na4 O1112.6 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.046","0.0408","","","0.1042","0.1115","","","","","","1.106","","","","has coordinates,has disorder","243175","2020-10-21","18:00:00",""
"4133370","36.1521","0.0013","43.2693","0.0015","31.4909","0.0011","90","","107.595","0.001","90","","46956","3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H604 Mo154 N24 Na4 O732 -","- C48 Mo154 N22 O663.6 -","- C96 Mo308 N44 O1327.2 -","2","0.25","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.1228","0.1058","","","0.237","0.2502","","","","","","1.248","","","","has coordinates,has disorder","243176","2020-10-21","18:00:00",""
"4133371","34.961","0.003","45.659","0.004","20.6838","0.0014","90","","90","","90","","33017","5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C86 H534 Ce4 Mo124 N16 Na2 O604 -","- C85.2 H100 Ce4 Mo124.04 N16 Na1.3 O541.9 -","- C170.4 H200 Ce8 Mo248.08 N32 Na2.6 O1083.8 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0608","0.0476","","","0.1212","0.1345","","","","","","1.083","","","","has coordinates,has disorder","243177","2020-10-21","18:00:00",""
"4133372","35.356","0.003","47.448","0.004","20.2608","0.0015","90","","90","","90","","33989","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H546 Ce4 Mo132 N24 O643 -","- C48 H74 Ce4 Mo132 N24 O616.6 -","- C96 H148 Ce8 Mo264 N48 O1233.2 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0431","0.0388","","","0.1011","0.1055","","","","","","1.07","","","","has coordinates,has disorder","243178","2020-10-21","18:00:00",""
"4133373","35.219","0.006","44.928","0.008","20.818","0.004","90","","90","","90","","32941","10","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C34.8 H90 Ce4 Mo124 N24 O554.5 -","- C69.6 H180 Ce8 Mo248 N48 O1109 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0611","0.0472","","","0.117","0.1289","","","","","","1.074","","","","has coordinates,has disorder","243179","2020-10-21","18:00:00",""
"4133374","35.056","0.003","45.188","0.004","20.8435","0.0018","90","","90","","90","","33018","5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36 H552 Ce4 Mo124 N24 O612 -","- C36 H88 Ce4 Mo124 N23 O571.16 -","- C72 H176 Ce8 Mo248 N46 O1142.32 -","2","0.5","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.71073","MoKα","","0.0483","0.0398","","","0.0983","0.105","","","","","","1.068","","","","has coordinates,has disorder","243180","2020-10-21","18:00:00",""
"4133375","39.73","0.008","20.462","0.004","40.363","0.008","90","","90.8","0.03","90","","32810","11","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C36 H508 Ce4 Mo132 N18 O629 -","- C36 H54 Ce4.5 Mo132 N18 O559.4 -","- C72 H108 Ce9 Mo264 N36 O1118.8 -","2","1","","Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy","Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.","Journal of the American Chemical Society","2019","141","3","1242","1250","10.1021/jacs.8b09750","","","0.6889","Synchrotron","","0.0723","0.067","","","0.2026","0.2086","","","","","","1.025","","","","has coordinates,has disorder","243181","2020-10-21","18:00:00",""
"4133415","20.962","0.004","12.826","0.003","18.178","0.004","90","","110.79","0.03","90","","4569.1","1.9","173","2","173.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H19 Cl -","- C30.5 H19 Cl -","- C244 H152 Cl8 -","8","1","","Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang","Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.","Journal of the American Chemical Society","2019","141","1","48","52","10.1021/jacs.8b09945","","","0.71073","MoKα","","0.0736","0.0672","","","0.1465","0.1496","","","","","","1.164","","","","has coordinates","243212","2020-10-21","18:00:00",""
"4133416","15.289","0.006","13.561","0.005","9.488","0.004","90","","95.023","0.004","90","","1959.6","1.3","173","2","173.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","","Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang","Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.","Journal of the American Chemical Society","2019","141","1","48","52","10.1021/jacs.8b09945","","","0.71073","MoKα","","0.0865","0.074","","","0.1427","0.1495","","","","","","1.198","","","","has coordinates","243213","2020-10-21","18:00:00",""
"4133434","16.587","0.003","20.288","0.004","23.765","0.005","83.27","0.03","80.28","0.03","81.98","0.03","7769","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Au25 N S2.2 Se15.8 -","- C119 H90 Au25 N S2.176 Se15.824 -","- C238 H180 Au50 N2 S4.352 Se31.648 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0782","0.0614","","","0.1801","0.189","","","","","","1.09","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133435","16.612","0.003","20.297","0.004","23.736","0.005","83.17","0.03","80.2","0.03","81.91","0.03","7771","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C125 H90 Au25 N S2.22 Se15.78 -","- C124 H90 Au25 S2.393 Se15.607 -","- C248 H180 Au50 S4.786 Se31.214 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0836","0.0728","","","0.2153","0.2238","","","","","","1.078","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133436","16.597","0.003","20.304","0.004","23.758","0.005","83.35","0.03","80.26","0.03","81.89","0.03","7777","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H90 Au25 N S2.97 Se15.03 -","- C123 H90 Au25 N S2.857 Se15.143 -","- C246 H180 Au50 N2 S5.714 Se30.286 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0714","0.0635","","","0.182","0.1908","","","","","","1.095","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133437","16.555","0.003","20.257","0.004","23.831","0.005","83.18","0.03","80.08","0.03","81.7","0.03","7754","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C129 H90 Au25 N S1.35 Se16.65 -","- C129 H90 Au25 N S1.355 Se16.645 -","- C258 H180 Au50 N2 S2.71 Se33.29 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0529","0.0493","","","0.1352","0.1417","","","","","","1.033","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133438","16.55","0.003","20.272","0.004","23.826","0.005","83.16","0.03","80.06","0.03","81.68","0.03","7754","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H90 Au25 N S1.21 Se16.79 -","- C128 H90 Au25 N S1.207 Se16.793 -","- C256 H180 Au50 N2 S2.414 Se33.586 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0714","0.0664","","","0.1807","0.1849","","","","","","1.037","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133439","16.558","0.003","20.277","0.004","23.823","0.005","83.13","0.03","80.1","0.03","81.66","0.03","7759","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H90 Au25 N S1.19 Se16.81 -","- C131 H90 Au25 N S1.188 Se16.812 -","- C262 H180 Au50 N2 S2.376 Se33.624 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0605","0.0572","","","0.1567","0.1598","","","","","","1.051","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133440","17.09","0.003","20.273","0.004","26.125","0.005","74.45","0.03","73.34","0.03","67.65","0.03","7890","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H90 Au25 N S3.12 Se14.88 -","- C123 H90 Au25 N S3.118 Se14.882 -","- C246 H180 Au50 N2 S6.236 Se29.764 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.05","0.045","","","0.1214","0.1293","","","","","","1.08","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133441","17.091","0.003","20.257","0.004","26.102","0.005","74.39","0.03","73.37","0.03","67.63","0.03","7875","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Au25 N S2.79 Se15.21 -","- C120 H90 Au25 N S2.79 Se15.21 -","- C240 H180 Au50 N2 S5.58 Se30.42 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0716","0.0671","","","0.1886","0.1935","","","","","","1.037","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133442","16.615","0.003","16.617","0.003","16.798","0.003","70.27","0.03","74.99","0.03","62.56","0.03","3844.6","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Au25 S2.38 Se15.62 -","- C108 H90 Au25 S2.38 Se15.62 -","- C108 H90 Au25 S2.38 Se15.62 -","1","0.5","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0682","0.065","","","0.1707","0.1732","","","","","","1.059","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133443","16.638","0.003","16.653","0.003","16.868","0.003","70.3","0.03","74.97","0.03","62.52","0.03","3873.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Au25 S2.36 Se15.64 -","- C108 H90 Au25 S2.36 Se15.64 -","- C108 H90 Au25 S2.36 Se15.64 -","1","0.5","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0599","0.0561","","","0.1579","0.1625","","","","","","1.046","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133444","16.548","0.003","20.264","0.004","23.797","0.005","83.25","0.03","80.14","0.03","81.74","0.03","7745","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H90 Au25 N S1.36 Se16.64 -","- C130 H90 Au25 N S1.377 Se16.623 -","- C260 H180 Au50 N2 S2.754 Se33.246 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0668","0.0602","","","0.1634","0.168","","","","","","1.06","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133445","16.552","0.003","20.297","0.004","23.828","0.005","83.14","0.03","80.05","0.03","81.62","0.03","7764","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H90 Au25 N S1.34 Se16.66 -","- C120 H90 Au25 N S1.333 Se16.667 -","- C240 H180 Au50 N2 S2.666 Se33.334 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0658","0.059","","","0.1672","0.1728","","","","","","1.077","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133446","16.574","0.003","20.332","0.004","23.845","0.005","83.19","0.03","79.85","0.03","81.5","0.03","7787","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H90 Au25 N S1.34 Se16.66 -","- C124 H90 Au25 S1.343 Se16.657 -","- C248 H180 Au50 S2.686 Se33.314 -","2","1","","Hosier, Christopher A.; Ackerson, Christopher J.","Regiochemistry of Thiolate for Selenolate Ligand Exchange on Gold Clusters.","Journal of the American Chemical Society","2019","141","1","309","314","10.1021/jacs.8b10013","","","1","Synchrotron","","0.0766","0.0652","","","0.1746","0.1841","","","","","","1.053","","","","has coordinates,has disorder","243224","2020-10-21","18:00:00",""
"4133467","9.559","0.0004","16.4554","0.0009","20.1613","0.001","90","","90","","90","","3171.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KRA-05-1-5","","","- C16 H20 Cl O2 P -","- C16 H20 Cl O2 P -","- C128 H160 Cl8 O16 P8 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0543","0.0432","","","0.1003","0.1072","","","","","","1.059","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133468","16.4485","0.0006","32.1049","0.0012","19.4326","0.0007","90","","95.256","0.001","90","","10218.8","0.6","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KRA-07-2-1","","","- C57.21 H72.43 Cl0.43 N P3 -","- C57.2143 H72.4286 Cl0.4288 N P3 -","- C457.714 H579.429 Cl3.4304 N8 P24 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0652","0.0427","","","0.0952","0.1073","","","","","","1.039","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133469","14.4125","0.0005","11.9967","0.0006","23.2456","0.0013","90","","102.13","0.001","90","","3929.5","0.3","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KRA-21-1-1","","","- C45 H48 N O2.63 P3 -","- C45 H48 N O2.628 P3 -","- C180 H192 N4 O10.512 P12 -","4","1","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.061","0.0424","","","0.0978","0.1084","","","","","","1.038","","","","has coordinates","243239","2020-10-21","18:00:00",""
"4133470","10.4191","0.0004","12.8274","0.0005","18.6751","0.0006","97.428","0.001","98.167","0.001","109.249","0.001","2290.7","0.15","104","2","104","2","","","","","","","","6","P -1","-P 1","2","KRA-22-2-4","","","- C50 H55 Cl3 N P3 Ru -","- C50 H55 Cl3 N P3 Ru -","- C100 H110 Cl6 N2 P6 Ru2 -","2","1","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0677","0.0541","","","0.1301","0.1412","","","","","","1.036","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133472","9.1748","0.0003","12.0308","0.0003","15.151","0.0004","95.641","0.002","98.831","0.003","109.006","0.003","1542.65","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H25 F6 N4 O P Ru S -","- C30 H25 F6 N4 O P Ru S -","- C60 H50 F12 N8 O2 P2 Ru2 S2 -","2","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.0279","0.0263","","","0.0623","0.0634","","","","","","1.051","","","","has coordinates,has disorder","243241","2020-10-21","18:00:00",""
"4133473","15.6544","0.0003","38.0206","0.0006","14.7943","0.0003","90","","116.312","0.002","90","","7893.1","0.3","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cl0.24 F4.53 N6 O P0.76 Ru S -","- C36 H27 Cl0.2447 F4.5324 N6 O P0.7554 Ru S -","- C288 H216 Cl1.9576 F36.2592 N48 O8 P6.0432 Ru8 S8 -","8","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.0695","0.0617","","","0.1779","0.1881","","","","","","1.045","","","","has coordinates,has disorder","243242","2020-10-21","18:00:00",""
"4133474","16.488","0.0005","10.0475","0.0003","18.4299","0.0006","90","","116.276","0.004","90","","2737.68","0.17","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F6 N4 O P Ru S -","- C28 H25 F6 N4 O P Ru S -","- C112 H100 F24 N16 O4 P4 Ru4 S4 -","4","1","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","0.71073","MoKα","","0.0337","0.0283","","","0.0629","0.066","","","","","","1.03","","","","has coordinates","243243","2020-10-21","18:00:00",""
"4133475","15.1228","0.0004","16.8679","0.0004","25.1053","0.0004","100.234","0.0018","90.1903","0.0018","104.221","0.002","6101.7","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H25 F6 N6 O P Ru S -","- C32 H25 F6 N6 O P Ru S -","- C256 H200 F48 N48 O8 P8 Ru8 S8 -","8","4","","Lameijer, Lucien N.; van de Griend, Corjan; Hopkins, Samantha L.; Volbeda, Anne-Geert; Askes, Sven H. C.; Siegler, Maxime A.; Bonnet, Sylvestre","Photochemical Resolution of a Thermally Inert Cyclometalated Ru(phbpy)(N-N)(Sulfoxide)<sup>+</sup> Complex.","Journal of the American Chemical Society","2019","141","1","352","362","10.1021/jacs.8b10264","","","1.54178","CuKα","","0.051","0.0364","","","0.0854","0.0917","","","","","","0.894","","","","has coordinates,has disorder","243244","2020-10-21","18:00:00",""
"4133480","13.2397","0.0004","30.39","0.0009","15.9976","0.0004","90","","105.737","0.001","90","","6195.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C146 H192 Li2 O16 -","- C146 H192 Li2 O16 -","- C292 H384 Li4 O32 -","2","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.057","0.0481","","","0.1029","0.1064","","","","","","1.051","","","","has coordinates","243249","2020-10-21","18:00:00",""
"4133481","7.6416","0.0002","15.0479","0.0005","23.3547","0.0008","89.396","0.002","86.094","0.001","83.812","0.001","2663.69","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H104 F6 O6 -","- C118 H104 F6 O6 -","- C118 H104 F6 O6 -","1","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.1057","0.0969","","","0.2621","0.2704","","","","","","1.069","","","","has coordinates,has disorder","243250","2020-10-21","18:00:00",""
"4133482","14.0023","0.0014","17.9457","0.0018","18.3619","0.0018","116.776","0.003","100.802","0.004","99.945","0.003","3868.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C178 H234 Li2 O18 -","- C178 H234 Li2 O18 -","- C178 H234 Li2 O18 -","1","0.5","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.0869","0.0794","","","0.2366","0.2471","","","","","","1.034","","","","has coordinates,has disorder","243251","2020-10-21","18:00:00",""
"4133483","12.7262","0.0007","14.1728","0.0008","22.2771","0.0012","82.881","0.002","75.763","0.002","65.38","0.002","3539.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H94 O2 -","- C96 H94 O2 -","- C192 H188 O4 -","2","1","","Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan","Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications.","Journal of the American Chemical Society","2019","141","1","62","66","10.1021/jacs.8b10279","","","1.54178","CuKα","","0.0776","0.0673","","","0.1871","0.1998","","","","","","1.03","","","","has coordinates,has disorder","243252","2020-10-21","18:00:00",""
"4133485","8.9084","0.0004","39.9686","0.0019","13.1196","0.0006","90","","109.252","0.002","90","","4410.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","- C144 H244 N28 O63 -","1","0.5","","Mondal, Sudipta; Jacoby, Guy; Sawaya, Michael R.; Arnon, Zohar A.; Adler-Abramovich, Lihi; Rehak, Pavel; Vuković, Lela; Shimon, Linda J. W.; Král, Petr; Beck, Roy; Gazit, Ehud","Transition of Metastable Cross-α Crystals into Cross-β Fibrils by β-Turn Flipping.","Journal of the American Chemical Society","2019","141","1","363","369","10.1021/jacs.8b10289","","","0.71073","MoKα","","0.0641","0.0532","","","0.1315","0.1391","","","","","","1.053","","","","has coordinates,has disorder","243254","2020-10-21","18:00:00",""
"4133510","10.6321","0.0006","21.0128","0.0014","22.5307","0.0015","98.837","0.004","103.69","0.004","102.785","0.004","4655.3","0.5","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H81 F24 N8 P4 -","- C101 H81 F24 N8 P4 -","- C202 H162 F48 N16 P8 -","2","1","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.1353","0.1212","","","0.3998","0.4153","","","","","","1.838","","","","has coordinates,has disorder","243280","2020-10-21","18:00:00",""
"4133511","32.128","0.003","40.07","0.004","12.3508","0.0012","90","","99.299","0.006","90","","15691","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 F24 N6 P4 -","- C62 H54 F24 N6 P4 -","- C496 H432 F192 N48 P32 -","8","1","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.157","0.1348","","","0.4119","0.4322","","","","","","1.644","","","","has coordinates,has disorder","243281","2020-10-21","18:00:00",""
"4133512","17.802","0.004","17.802","0.004","26.606","0.007","90","","90","","90","","8432","3","100","2","99.99","","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C76 H58 F24 N4 O2 P4 -","- C76 H58 F24 N4 O2 P4 -","- C304 H232 F96 N16 O8 P16 -","4","0.25","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.0662","0.0583","","","0.1758","0.1857","","","","","","1.053","","","","has coordinates,has disorder","243282","2020-10-21","18:00:00",""
"4133513","10.3102","0.0007","11.1967","0.0008","21.5627","0.0015","79.7093","0.0016","86.3983","0.0016","64.3662","0.0016","2207.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H80 F24 N8 P4 -","- C94 H80 F24 N8 P4 -","- C94 H80 F24 N8 P4 -","1","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","0.71073","MoKα","","0.1131","0.0884","","","0.2536","0.279","","","","","","1.067","","","","has coordinates,has disorder","243283","2020-10-21","18:00:00",""
"4133514","19.84","0.0008","12.3137","0.0005","14.4575","0.0006","90","","105.945","0.002","90","","3396.1","0.2","100","2","100.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51 F24 N5 P4 -","- C60 H51 F24 N5 P4 -","- C120 H102 F48 N10 P8 -","2","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.112","0.0916","","","0.266","0.2874","","","","","","1.216","","","","has coordinates,has disorder","243284","2020-10-21","18:00:00",""
"4133515","19.8606","0.0011","12.2479","0.0006","14.4094","0.0009","90","","105.31","0.004","90","","3380.7","0.3","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 F24 N4 O2 P4 -","- C72 H56 F24 N4 O2 P4 -","- C144 H112 F48 N8 O4 P8 -","2","0.5","","Wu, Huang; Chen, Yong; Zhang, Long; Anamimoghadam, Ommid; Shen, Dengke; Liu, Zhichang; Cai, Kang; Pezzato, Cristian; Stern, Charlotte L.; Liu, Yu; Stoddart, J. Fraser","A Dynamic Tetracationic Macrocycle Exhibiting Photoswitchable Molecular Encapsulation.","Journal of the American Chemical Society","2019","141","3","1280","1289","10.1021/jacs.8b10526","","","1.54178","CuKα","","0.0955","0.0765","","","0.2092","0.23","","","","","","1.043","","","","has coordinates,has disorder","243285","2020-10-21","18:00:00",""
"4133526","9.5932","0.001","16.8116","0.0017","6.1756","0.0006","90","","90","","90","","995.98","0.17","100","2","100","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- C14 H11 P -","- C14 H11 P -","- C56 H44 P4 -","4","0.25","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0214","0.0214","","","0.0609","0.0609","","","","","","1.226","","","","has coordinates","243291","2020-10-21","18:00:00",""
"4133527","16.375","0.0006","10.7086","0.0004","22.9666","0.0009","90","","100.066","0.002","90","","3965.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 O P3 Pt S -","- C44 H49 O P3 Pt S -","- C176 H196 O4 P12 Pt4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0427","0.0394","","","0.0863","0.0879","","","","","","1.07","","","","has coordinates,has disorder","243292","2020-10-21","18:00:00",""
"4133528","8.3118","0.0005","22.2656","0.0012","6.2032","0.0003","90","","90","","90","","1148.01","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 P S -","- C14 H11 P S -","- C56 H44 P4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0288","0.0274","","","0.0666","0.0673","","","","","","1.045","","","","has coordinates","243293","2020-10-21","18:00:00",""
"4133547","10.3858","0.0004","11.1289","0.0005","17.4363","0.0008","90","","90","","90","","2015.33","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br Cl N2 O3 -","- C20 H16 Br Cl N2 O3 -","- C80 H64 Br4 Cl4 N8 O12 -","4","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0832","0.0501","","","0.1056","0.1272","","","","","","1.025","","","","has coordinates","243304","2020-10-21","18:00:00",""
"4133548","9.133","0.0004","12.6163","0.0004","10.2204","0.0003","90","","113.676","0.004","90","","1078.52","0.07","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 S -","- C21 H21 Br N2 O4 S -","- C42 H42 Br2 N4 O8 S2 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0518","0.0396","","","0.086","0.093","","","","","","1.066","","","","has coordinates","243305","2020-10-21","18:00:00",""
"4133549","9.3729","0.0006","11.919","0.0013","15.7115","0.0012","90","","90.581","0.007","90","","1755.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","2","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.1206","0.0821","","","0.1994","0.2303","","","","","","1.049","","","","has coordinates","243306","2020-10-21","18:00:00",""
"4133550","10.4672","0.0006","5.745","0.0003","11.4377","0.0007","90","","110.754","0.007","90","","643.16","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C26 H26 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.08","0.0454","","","0.0861","0.0995","","","","","","1.03","","","","has coordinates","243307","2020-10-21","18:00:00",""
"4133551","10.3489","0.0003","6.3912","0.0003","11.1677","0.0004","90","","94.707","0.003","90","","736.16","0.05","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C28 H30 Br2 N4 O4 -","2","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0825","0.053","","","0.1168","0.1324","","","","","","1.029","","","","has coordinates,has disorder","243308","2020-10-21","18:00:00",""
"4133552","44.655","0.01","44.655","","44.655","","90","","90","","90","","89045","2","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C84 H36 O32 Zr6 -","- C84 H36 O32 Zr6 -","- C1344 H576 O512 Zr96 -","16","0.0833333","","Qin, Jun-Sheng; Yuan, Shuai; Zhang, Lei; Li, Bao; Du, Dong-Ying; Huang, Ning; Guan, Wei; Drake, Hannah F.; Pang, Jiandong; Lan, Ya-Qian; Alsalme, Ali; Zhou, Hong-Cai","Creating Well-Defined Hexabenzocoronene in Zirconium Metal-Organic Framework by Postsynthetic Annulation.","Journal of the American Chemical Society","2019","141","5","2054","2060","10.1021/jacs.8b11042","","x-ray","1.54184","CuKα","","0.1856","0.1625","","","0.4203","0.4359","","","","","","1.744","","","","has coordinates","243309","2020-10-21","18:00:00",""
"4133567","30.418","0.003","31.784","0.003","12.38","0.0012","90","","90","","90","","11969","2","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62.5 H42.5 Cl1.5 N6 O12 -","- C62.5 H42.5 Cl1.5 N6 O12 -","- C500 H340 Cl12 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0654","0.0578","","","0.1663","0.1756","","","","","","1.066","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133568","30.3071","0.0018","32.069","0.002","12.6054","0.0008","90","","90","","90","","12251.4","1.3","100","2","99.99","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C62 H42 N6 O12 -","- C62 H42 N6 O12 -","- C496 H336 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.2166","0.1129","","","0.241","0.3309","","","","","","1.122","","","","has coordinates","243325","2020-10-21","18:00:00",""
"4133569","43.1347","0.0012","14.6175","0.0004","24.2886","0.0006","90","","102.937","0.0016","90","","14925.8","0.7","100","2","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72.5 H48.5 Cl7.5 N6 O12 -","- C72.5 H48.5 Cl7.5 N6 O12 -","- C580 H388 Cl60 N48 O96 -","8","2","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0878","0.0634","","","0.1585","0.1753","","","","","","0.979","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133570","30.1044","0.0009","31.9984","0.001","12.4179","0.0004","90","","90","","90","","11962.1","0.6","100","2","99.99","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C131.3 H100.6 Cl1.3 N12 O24 -","- C131.3 H100.6 Cl1.3 N12 O24 -","- C525.2 H402.4 Cl5.2 N48 O96 -","4","1","","Mohan Nalluri, Siva Krishna; Zhou, Jiawang; Cheng, Tao; Liu, Zhichang; Nguyen, Minh T.; Chen, Tianyang; Patel, Hasmukh A.; Krzyaniak, Matthew D.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Discrete Dimers of Redox-Active and Fluorescent Perylene Diimide-Based Rigid Isosceles Triangles in the Solid State.","Journal of the American Chemical Society","2019","141","3","1290","1303","10.1021/jacs.8b11201","","","1.54178","CuKα","","0.0701","0.0611","","","0.1617","0.1685","","","","","","1.014","","","","has coordinates","243327","2020-10-21","18:00:00",""
"4133573","28.293","0.003","12.726","0.0016","33.847","0.004","90","","90","","90","","12187","2","100","2","100.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C114 H169 Cl6 N19 Ni4 -","- C114 H169 Cl6 N19 Ni4 -","- C456 H676 Cl24 N76 Ni16 -","4","1","","Sun, Rui; Qin, Yangzhong; Ruccolo, Serge; Schnedermann, Christoph; Costentin, Cyrille; Daniel G Nocera, ?","Elucidation of a Redox-Mediated Reaction Cycle for Nickel-Catalyzed Cross Coupling.","Journal of the American Chemical Society","2019","141","1","89","93","10.1021/jacs.8b11262","","","0.71073","MoKα","","0.0832","0.06","","","0.1334","0.1421","","","","","","1.095","","","","has coordinates,has disorder","243330","2020-10-21","18:00:00",""
"4133586","26.6128","0.0017","10.402","0.0007","21.364","0.0014","90","","94.776","0.004","90","","5893.6","0.7","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 N O8 -","- C35 H31 N O8 -","- C280 H248 N8 O64 -","8","1","","Zhang, Wenhan; Liu, Shufeng; Maiga, Rayelle I.; Pelletier, Jerry; Brown, Lauren E.; Wang, Tony T.; Porco, Jr, John A","Chemical Synthesis Enables Structural Reengineering of Aglaroxin C Leading to Inhibition Bias for Hepatitis C Viral Infection.","Journal of the American Chemical Society","2019","141","3","1312","1323","10.1021/jacs.8b11477","","","1.54178","CuKα","","0.0747","0.0685","","","0.1566","0.1606","","","","","","1.097","","","","has coordinates,has disorder","243341","2020-10-21","18:00:00",""
"4133587","8.1317","0.0002","16.5366","0.0004","13.5858","0.0003","90","","99.897","0.001","90","","1799.7","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C72 H64 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0687","0.0569","","","0.1199","0.1276","","","","","","1.075","","","","has coordinates","243342","2020-10-21","18:00:00",""
"4133588","9.5006","0.0006","24.2369","0.0012","10.9473","0.0008","90","","104.554","0.002","90","","2439.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0867","0.0641","","","0.1608","0.1821","","","","","","1.122","","","","has coordinates","243343","2020-10-21","18:00:00",""
"4133589","7.159","0.002","12.789","0.004","17.774","0.006","95.896","0.007","98.227","0.007","94.371","0.006","1595.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28.5 Br Cl2 N2.5 O4 S2 -","- C30 H28.5 Br Cl2 N2.5 O4 S2 -","- C60 H57 Br2 Cl4 N5 O8 S4 -","2","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1175","0.0701","","","0.1994","0.2271","","","","","","1.037","","","","has coordinates","243344","2020-10-21","18:00:00",""
"4133590","22.96","0.005","11.149","0.002","10.666","0.002","90","","90","","90","","2730.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0947","0.0693","","","0.1588","0.1798","","","","","","1.096","","","","has coordinates","243345","2020-10-21","18:00:00",""
"4133591","10.112","0.003","24.264","0.007","11.299","0.003","90","","112.743","0.005","90","","2556.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C108 H96 N8 O16 S8 -","4","1","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0488","0.0393","","","0.1026","0.1077","","","","","","0.965","","","","has coordinates","243346","2020-10-21","18:00:00",""
"4133592","20.66","0.02","10.256","0.012","25.26","0.03","90","","90","","90","","5352","10","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C216 H192 N16 O32 S16 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.1353","0.0942","","","0.2296","0.2934","","","","","","0.908","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4133593","18.1358","0.001","22.5942","0.0013","7.6401","0.0004","90","","98.3549","0.0018","90","","3097.4","0.3","131","2","131","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 O2 -","- C18 H14 Cl2 O2 -","- C144 H112 Cl16 O16 -","8","2","","Kreuzahler, Mathis; Daniels, Alyssa; Wölper, Christoph; Haberhauer, Gebhard","1,3-Chlorine Shift to a Vinyl Cation: A Combined Experimental and Theoretical Investigation of the E-Selective Gold(I)-Catalyzed Dimerization of Chloroacetylenes.","Journal of the American Chemical Society","2019","141","3","1337","1348","10.1021/jacs.8b11501","","","1.54178","CuKα","","0.0386","0.0355","","","0.0997","0.1033","","","","","","1.02","","","","has coordinates,has disorder","243348","2020-10-21","18:00:00",""
"4133597","41.66","0.008","23.73","0.005","30.69","0.006","90","","90","","90","","30340","10","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C282 H0 Cu24 N10 O150 -","- C282 Cu24 N10 O150 -","- C564 Cu48 N20 O300 -","2","0.25","","Lal, Garima; Derakhshandeh, Maziar; Akhtar, Farid; Spasyuk, Denis M.; Lin, Jian-Bin; Trifkovic, Milana; Shimizu, George K. H.","Mechanical Properties of a Metal-Organic Framework formed by Covalent Cross-Linking of Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","2","1045","1053","10.1021/jacs.8b11527","","","0.7781","synchrotron","","0.1233","0.0942","","","0.2735","0.2899","","","","","","2.115","","","","has coordinates,has disorder","243352","2020-10-21","18:00:00",""
"4133598","8.16835","0.00013","12.1102","0.0002","32.7192","0.0006","90","","91.3026","0.0016","90","","3235.76","0.1","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C41 H40 O S -","- C41 H40 O S -","- C164 H160 O4 S4 -","4","2","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.0769","0.0751","","","0.2168","0.219","","","","","","1.047","","","","has coordinates,has disorder","243353","2020-10-21","18:00:00",""
"4133599","9.1358","0.0002","12.4711","0.0003","16.4639","0.0004","104.008","0.0014","92.5124","0.0014","98.3058","0.0014","1794.84","0.07","143","","143","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H40 Cl4 -","- C44 H40 Cl4 -","- C88 H80 Cl8 -","2","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","","0.0821","","","","0.1418","","","","","","1.037","","","","has coordinates","243354","2020-10-21","18:00:00",""
"4133600","8.1411","0.00015","25.1404","0.0005","14.1594","0.0003","90","","90","","90","","2898.01","0.1","123","","123","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.112","0.0654","","","0.1515","0.2054","","","","","","1.122","","","","has coordinates","243356","2020-10-21","18:00:00",""
"4133602","18.8289","0.0002","15.5259","0.0002","17.5625","0.0002","90","","90","","90","","5134.14","0.1","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H58 Cl2 Ge N4 O Si2 -","- C45 H58 Cl2 Ge N4 O Si2 -","- C180 H232 Cl8 Ge4 N16 O4 Si8 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0432","0.0413","","","0.1096","0.1119","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133603","19.1807","0.0003","27.2268","0.0004","18.064","0.0003","90","","110.913","0.002","90","","8812.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H116 Ge2 N8 O2 Si4 -","- C90 H116 Ge2 N8 O2 Si4 -","- C360 H464 Ge8 N32 O8 Si16 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0732","0.0469","","","0.1151","0.1324","","","","","","1.02","","","","has coordinates,has disorder","243358","2020-10-21","18:00:00",""
"4133604","15.8154","0.0008","21.7298","0.001","31.6007","0.0019","90","","90","","90","","10860.1","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C392 H544 Al8 Br24 Ge8 N32 O16 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.114","0.0672","","","0.1597","0.1953","","","","","","1.034","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133605","11.4436","0.0003","22.3224","0.0006","13.7102","0.0004","90","","102.777","0.003","90","","3415.53","0.17","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C45 H58 Al2 Br6 Ge N4 O Si2 -","- C90 H116 Al4 Br12 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.12","0.0993","","","0.2472","0.2788","","","","","","1.063","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4133606","27.1176","0.0006","10.0166","0.0002","39.9984","0.0011","90","","107.426","0.003","90","","10366","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H73 B Ge N4 O Si2 -","- C53 H73 B Ge N4 O Si2 -","- C424 H584 B8 Ge8 N32 O8 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.045","0.0361","","","0.0859","0.0925","","","","","","1.022","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133607","15.2538","0.0006","15.9869","0.0006","21.3147","0.0009","82.753","0.003","85.315","0.003","62.81","0.004","4584.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H126 Ge2 N8 Ni O3 Si4 -","- C94 H126 Ge2 N8 Ni O3 Si4 -","- C188 H252 Ge4 N16 Ni2 O6 Si8 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.1316","0.1104","","","0.2903","0.304","","","","","","1.115","","","","has coordinates,has disorder","243358","2020-10-21","18:00:00",""
"4133608","9.0383","0.0003","18.6293","0.0006","18.9925","0.0006","112.389","0.003","91.666","0.003","94.184","0.003","2943.35","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H74 B Ge N4 O Si2 -","- C63 H75 B Ge N4 O Si2 -","- C126 H150 B2 Ge2 N8 O2 Si4 -","2","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.0567","0.0435","","","0.1132","0.1244","","","","","","1.029","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133615","100.02","0.02","18.644","0.004","29.23","0.006","90","","90","","90","","54507","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C270 H240 N105 O87.75 S30 -","- C270.5 H240 N105 O87.25 S30 -","- C1082 H960 N420 O349 S120 -","4","1","","Liu, Bin; Pappas, Charalampos G.; Zangrando, Ennio; Demitri, Nicola; Chmielewski, Piotr J.; Otto, Sijbren","Complex Molecules That Fold Like Proteins Can Emerge Spontaneously.","Journal of the American Chemical Society","2019","141","4","1685","1689","10.1021/jacs.8b11698","","","0.7","synchrotron","","0.1605","0.1336","","","0.3475","0.3744","","","","","","1.253","","","","has coordinates,has disorder","243363","2020-10-21","18:00:00",""
"4133616","8.2078","0.0002","9.4326","0.0002","16.1782","0.0004","102.743","0.002","104.147","0.002","97.677","0.002","1161.12","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C62 H62 N2 O6 -","2","1","","Alachouzos, Georgios; Frontier, Alison J.","Cationic Cascade for Building Complex Polycyclic Molecules from Simple Precursors: Diastereoselective Installation of Three Contiguous Stereogenic Centers in a One-Pot Process.","Journal of the American Chemical Society","2019","141","1","118","122","10.1021/jacs.8b11713","","x-ray","1.54184","CuKα","","0.0564","0.05","","","0.1322","0.1374","","","","","","1.077","","","","has coordinates","243364","2020-10-21","18:00:00",""
"4133617","22.0755","0.0004","22.0755","0.0004","10.0326","0.0002","90","","90","","120","","4234.14","0.14","100","","100","","","","","","","","","6","P 6","P 6","168","","","","- C25 H20 Cl3 F3 N2 O4 -","- C25 H20 Cl3 F3 N2 O4 -","- C150 H120 Cl18 F18 N12 O24 -","6","1","","Lin, Jin-Shun; Li, Tao-Tao; Liu, Ji-Ren; Jiao, Guan-Yuan; Gu, Qiang-Shuai; Cheng, Jiang-Tao; Guo, Yu-Long; Hong, Xin; Liu, Xin-Yuan","Cu/Chiral Phosphoric Acid-Catalyzed Asymmetric Three-Component Radical-Initiated 1,2-Dicarbofunctionalization of Alkenes.","Journal of the American Chemical Society","2019","141","2","1074","1083","10.1021/jacs.8b11736","","x-ray","1.54178","CuKα","","0.0863","0.081","","","0.2259","0.2342","","","","","","1.054","","","","has coordinates,has disorder","243365","2020-10-21","18:00:00",""
"4133618","14.55","0.0003","24.8696","0.0005","25.0479","0.0005","90","","90","","90","","9063.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 Cl6 N6 O2 -","- C45 H50 Cl6 N6 O2 -","- C360 H400 Cl48 N48 O16 -","8","2","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","x-ray","1.54184","CuKα","","0.0969","0.0908","","","0.248","0.257","","","","","","1.066","","","","has coordinates","243366","2020-10-21","18:00:00",""
"4133619","7.8606","0.0004","9.1352","0.0004","25.0134","0.0012","90","","90","","90","","1796.17","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 I N O2 -","- C19 H17 F3 I N O2 -","- C76 H68 F12 I4 N4 O8 -","4","1","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","","0.71073","MoKα","","0.0171","0.017","","","0.0467","0.0468","","","","","","1.19","","","","has coordinates","243367","2020-10-21","18:00:00",""
"4133620","10.666","0.0018","12.0616","0.0019","15.045","0.003","92.005","0.005","110.621","0.005","115.023","0.005","1602.4","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Cl N2 O -","- C36 H45 Cl N2 O -","- C72 H90 Cl2 N4 O2 -","2","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.0378","0.0362","","","0.0972","0.0987","","","","","","1.053","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133621","13.0915","0.0005","16.6801","0.0006","17.3486","0.0007","90","","101.572","0.002","90","","3711.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 Cl4 N O -","- C32 H43 Cl4 N O -","- C128 H172 Cl16 N4 O4 -","4","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.062","0.0515","","","0.1366","0.1451","","","","","","1.056","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133622","16.9668","0.0011","16.6522","0.0012","25.8421","0.0019","90","","90","","90","","7301.3","0.9","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H47 Cl4 N O -","- C38 H47 Cl4 N O -","- C304 H376 Cl32 N8 O8 -","8","2","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.0699","0.0749","","","","","","1.026","","","","has coordinates,has disorder","243368","2020-10-21","18:00:00",""
"4133623","29.5873","0.0011","9.0822","0.0004","23.4041","0.0008","90","","103.805","0.002","90","","6107.4","0.4","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H46 N O -","- C37 H46 N O -","- C296 H368 N8 O8 -","8","1","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","1.54178","CuKα","","0.0452","0.0426","","","0.1091","0.1113","","","","","","1.059","","","","has coordinates","243368","2020-10-21","18:00:00",""
"4133624","36.1038","0.0006","9.0432","0.0002","26.0806","0.0005","90","","92.463","0.002","90","","8507.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 N4 O Si2 -","- C45 H55 N4 O Si2 -","- C360 H440 N32 O8 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0808","0.0525","","","0.1255","0.1463","","","","","","0.992","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133625","15.6523","0.0002","17.3543","0.0003","18.3413","0.0002","90","","90","","90","","4982.13","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 N4 O4 Si2 -","- C51 H68 N4 O4 Si2 -","- C204 H272 N16 O16 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0606","0.0479","","","0.1167","0.1277","","","","","","1.029","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133626","16.8653","0.0009","24.8239","0.0009","9.3582","0.0004","90","","90","","90","","3917.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H54 Fe N4 O2 Si2 -","- C42 H54 Fe N4 O2 Si2 -","- C168 H216 Fe4 N16 O8 Si8 -","4","0.5","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0766","0.0455","","","0.0955","0.1126","","","","","","1.018","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133627","16.8495","0.0004","13.9048","0.0003","22.1044","0.0005","90","","106.452","0.003","90","","4966.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 N5 O Si2 -","- C54 H67 N5 O Si2 -","- C216 H268 N20 O4 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0906","0.0515","","","0.1142","0.1381","","","","","","1.009","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133628","12.8721","0.0006","13.2729","0.0007","20.801","0.0009","102.478","0.004","90.872","0.004","116.307","0.005","3085.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H90 N6 O Si2 -","- C69 H90 N6 O Si2 -","- C138 H180 N12 O2 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.1502","0.0887","","","0.2135","0.2769","","","","","","0.986","","","","has coordinates","243369","2020-10-21","18:00:00",""
"4133629","11.3993","0.0004","12.6636","0.0005","21.9289","0.0007","80.018","0.003","83.9","0.003","63.968","0.004","2799.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 N6 O Si2 -","- C63 H76 N6 O Si2 -","- C126 H152 N12 O2 Si4 -","2","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0588","0.0444","","","0.1147","0.1275","","","","","","1.015","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133630","16.9921","0.0003","21.7092","0.0004","27.5293","0.0004","90","","90","","90","","10155.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H67 N5 O2 Si2 -","- C55 H67 N5 O2 Si2 -","- C440 H536 N40 O16 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0762","0.0517","","","0.1349","0.152","","","","","","1.024","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133634","28.286","0.006","13.537","0.003","16.108","0.003","90","","116.85","0.03","90","","5503","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H18 Cl4 N12 O12 -","- C44 H18 Cl4 N12 O12 -","- C176 H72 Cl16 N48 O48 -","4","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.2087","0.1367","","","0.3444","0.3746","","","","","","1.701","","","","has coordinates","243373","2020-10-21","18:00:00",""
"4133635","16.2491","0.0006","13.0217","0.0005","26.5922","0.0011","90","","96.52","0.003","90","","5590.3","0.4","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H20 Cl4 N12 O12 -","- C48 H20 Cl4 N12 O12 -","- C192 H80 Cl16 N48 O48 -","4","1","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1493","0.0701","","","0.137","0.1634","","","","","","1.006","","","","has coordinates","243374","2020-10-21","18:00:00",""
"4133636","18.522","0.005","18.643","0.004","19.169","0.005","87.147","0.011","78.044","0.006","85.787","0.01","6454","3","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C118 H130 Cl4 N18 O32 S2 -","- C118 H130 Cl4 N18 O32 S2 -","- C236 H260 Cl8 N36 O64 S4 -","2","1","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1983","0.1692","","","0.4114","0.4344","","","","","","1.211","","","","has coordinates","243375","2020-10-21","18:00:00",""
"4133637","10.035","0.003","21.931","0.007","17.509","0.006","90","","94.079","0.005","90","","3844","2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H26 Cl22 N12 O12 -","- C54 H26 Cl22 N12 O12 -","- C108 H52 Cl44 N24 O24 -","2","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1157","0.1023","","","0.2567","0.2666","","","","","","1.151","","","","has coordinates,has disorder","243376","2020-10-21","18:00:00",""
"4133638","12.036","0.005","12.274","0.006","13.289","0.005","82.49","0.03","67.68","0.03","67.96","0.02","1683.2","1.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H54 Cl4 N18 O16 -","- C64 H54 Cl4 N18 O16 -","- C64 H54 Cl4 N18 O16 -","1","0.5","","Tuo, De-Hui; Liu, Wei; Wang, Xue-Yuan; Wang, Xu-Dong; Ao, Yu-Fei; Wang, Qi-Qiang; Li, Zhi-Yan; Wang, De-Xian","Toward Anion-π Interactions Directed Self-Assembly with Predesigned Dual Macrocyclic Receptors and Dianions.","Journal of the American Chemical Society","2019","141","2","1118","1125","10.1021/jacs.8b12018","","","0.71073","MoKα","","0.1525","0.1334","","","0.3218","0.3341","","","","","","1.774","","","","has coordinates","243377","2020-10-21","18:00:00",""
"4133639","10.3674","0.0015","10.4431","0.0015","10.6187","0.0015","85.78","0.004","85.901","0.004","63.71","0.004","1027","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N4 O Si -","- C21 H28 N4 O Si -","- C42 H56 N8 O2 Si2 -","2","1","","Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben","A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines.","Journal of the American Chemical Society","2019","141","1","127","132","10.1021/jacs.8b12063","","","0.71073","MoKα","","0.066","0.0447","","","0.104","0.114","","","","","","1.03","","","","has coordinates","243378","2020-10-21","18:00:00",""
"4133640","7.1983","0.0007","11.583","0.0012","17.2442","0.0018","101.815","0.003","94.813","0.003","99.388","0.003","1378.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H45 N5 O2 Si -","- C27 H45 N5 O2 Si -","- C54 H90 N10 O4 Si2 -","2","1","","Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben","A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines.","Journal of the American Chemical Society","2019","141","1","127","132","10.1021/jacs.8b12063","","","0.71073","MoKα","","0.0874","0.064","","","0.1654","0.1852","","","","","","1.035","","","","has coordinates","243379","2020-10-21","18:00:00",""
"4133641","6.2545","0.0002","13.5393","0.0003","19.2401","0.0005","90","","90","","90","","1629.28","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Wei, Yi; Liu, Song; Li, Miao-Miao; Li, Yi; Lan, Yu; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective Trapping of Pd-Containing 1,5-Dipoles by Photogenerated Ketenes: Access to 7-Membered Lactones Bearing Chiral Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","1","133","137","10.1021/jacs.8b12095","","","1.54178","CuKα","","0.0324","0.0314","","","0.0821","0.0829","","","","","","1.048","","","","has coordinates","243380","2020-10-21","18:00:00",""
"4133642","10.4462","0.0005","16.5828","0.0008","12.4288","0.0006","90","","105.487","0.002","90","","2074.83","0.17","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N3 O7 -","- C20 H22 Br N3 O7 -","- C80 H88 Br4 N12 O28 -","4","1","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0642","0.0655","","","","","","1.031","","","","has coordinates","243381","2020-10-21","18:00:00",""
"4133643","8.6131","0.0002","13.0876","0.0004","16.5039","0.0005","90","","97.683","0.001","90","","1843.7","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","halohydrin","","- C17 H17 Br2 N3 O5 -","- C17 H17 Br2 N3 O5 -","- C68 H68 Br8 N12 O20 -","4","1","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","0.71073","MoKα","","0.024","0.0203","","","0.0491","0.0503","","","","","","1.029","","","","has coordinates","243382","2020-10-21","18:00:00",""
"4133644","36.4159","0.0009","36.4159","0.0009","6.6637","0.0002","90","","90","","120","","7652.9","0.4","","","100.03","","","","","","","","","4","R 3 :H","R 3","146","","diol","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C306 H342 N54 O108 -","18","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0265","0.0261","","","0.0668","0.0672","","","","","","1.077","","","","has coordinates","243383","2020-10-21","18:00:00",""
"4133645","7.2381","0.0003","9.3207","0.0004","11.0024","0.0004","67.514","0.001","89.888","0.001","75.525","0.001","660.42","0.05","100","2","100.01","","","","","","","","","4","P 1","P 1","1","","(+)-lycoricidine","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.072","","","","has coordinates","243384","2020-10-21","18:00:00",""
"4133646","10.84","0.0002","20.374","0.0004","14.4408","0.0003","90","","92.411","0.001","90","","3186.49","0.11","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 I N4 Yb -","- C31 H49 I N4 Yb -","- C124 H196 I4 N16 Yb4 -","4","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","1.34139","GaKα","","0.0313","0.0275","","","0.0705","0.0725","","","","","","1.044","","","","has coordinates,has disorder","243385","2020-10-21","18:00:00",""
"4133647","14.361","0.003","20.959","0.004","21.535","0.004","90","","90","","90","","6482","2","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N4 Si Yb -","- C28 H52 N4 Si Yb -","- C224 H416 N32 Si8 Yb8 -","8","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","0.71073","MoKα","","0.0992","0.0375","","","0.0654","0.0832","","","","","","0.982","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133648","10.8609","0.0004","11.002","0.0004","18.3602","0.0006","77.331","0.002","83.437","0.002","60.677","0.002","1866.16","0.12","182","2","182.62","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H63 N4 Si2 Yb -","- C32 H63 N4 Si2 Yb -","- C64 H126 N8 Si4 Yb2 -","2","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","1.34139","GaKα","","0.0314","0.0291","","","0.0759","0.0773","","","","","","1.077","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133649","7.1967","0.0003","19.2597","0.0004","10.445","0.0004","90","","105.491","0.005","90","","1395.15","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Br Cl N2 O -","- C13 H18 Br Cl N2 O -","- C52 H72 Br4 Cl4 N8 O4 -","4","2","","Kim, Seung Wook; Schwartz, Leyah A.; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Regio- and Enantioselective Iridium-Catalyzed Amination of Racemic Branched Alkyl-Substituted Allylic Acetates with Primary and Secondary Aromatic and Heteroaromatic Amines.","Journal of the American Chemical Society","2019","141","1","671","676","10.1021/jacs.8b12152","","","1.54184","CuKα","","0.0365","0.0359","","","0.0941","0.0948","","","","","","1.065","","","","has coordinates","243386","2020-10-21","18:00:00",""
"4133651","9.6137","0.0004","12.478","0.0006","13.2623","0.0006","73.366","0.002","85.413","0.002","84.457","0.002","1514.95","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H47 N2 Re -","- C34 H47 N2 Re -","- C68 H94 N4 Re2 -","2","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.7288","synchrotron","","0.0234","0.0223","","","0.0558","0.0563","","","","","","1.095","","","","has coordinates","243388","2020-10-21","18:00:00",""
"4133652","12.5845","0.0006","18.1223","0.0007","13.8772","0.0006","90","","106.396","0.002","90","","3036.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Re(Cp)(BDI)","","","- C34 H46 N2 Re -","- C34 H46 N2 Re -","- C136 H184 N8 Re4 -","4","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0476","0.0336","","","0.0693","0.0734","","","","","","1.058","","","","has coordinates","243389","2020-10-21","18:00:00",""
"4133653","12.1625","0.0003","21.0519","0.0007","12.4534","0.0004","90","","90","","90","","3188.62","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H46 N2 Na Re -","- C34 H46 N2 Na Re -","- C136 H184 N8 Na4 Re4 -","4","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","x-ray","0.71073","MoKα","","0.0437","0.0371","","","0.0863","0.0895","","","","","","1.032","","","","has coordinates","243390","2020-10-21","18:00:00",""
"4133654","11.979","0.0003","12.3925","0.0003","13.8937","0.0003","97.317","0.001","109.657","0.001","94.52","0.001","1910.09","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","- C74 H102 F6 N4 O7 Re2 S2 Zn2 -","1","0.5","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0226","0.0198","","","0.0411","0.0419","","","","","","1.029","","","","has coordinates,has disorder","243391","2020-10-21","18:00:00",""
"4133655","12.6151","0.0002","12.744","0.0002","22.8461","0.0004","88.556","0.001","77.634","0.001","73.542","0.001","3438.22","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H106 N4 Re2 Zn2 -","- C68 H92 N4 Re2 Zn2 -","- C136 H184 N8 Re4 Zn4 -","2","1","","Lohrey, Trevor D.; Maron, Laurent; Bergman, Robert G.; Arnold, John","Heterotetrametallic Re-Zn-Zn-Re Complex Generated by an Anionic Rhenium(I) β-Diketiminate.","Journal of the American Chemical Society","2019","141","2","800","804","10.1021/jacs.8b12494","","","0.71073","MoKα","","0.0286","0.0218","","","0.0462","0.0486","","","","","","0.995","","","","has coordinates,has disorder","243392","2020-10-21","18:00:00",""
"4133656","6.5896","0.0003","9.7473","0.0005","12.2249","0.0008","68.974","0.006","75.048","0.005","71.536","0.005","685.9","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","2","","Liu, Yidong; Liu, Song; Li, Dongmei; Zhang, Nan; Peng, Lei; Ao, Jun; Song, Choong Eui; Lan, Yu; Yan, Hailong","Kinetic Resolution of Allylic Alcohol with Chiral BINOL-Based Alkoxides: A Combination of Experimental and Theoretical Studies.","Journal of the American Chemical Society","2019","141","2","1150","1159","10.1021/jacs.8b12796","","","0.71073","MoKα","","0.0563","0.0429","","","0.0955","0.1072","","","","","","1.044","","","","has coordinates","243393","2020-10-21","18:00:00",""
"4133657","19.5192","0.0004","19.5192","0.0004","8.5136","0.0002","90","","90","","120","","2809.1","0.1","100","2","100","","","","","","","","","4","P 65","P 65","170","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C120 H156 N12 O12 -","6","1","","He, Chi; Stratton, Thomas P.; Baran, Phil S.","Concise Total Synthesis of Herqulines B and C.","Journal of the American Chemical Society","2019","141","1","29","32","10.1021/jacs.8b13029","","x-ray","1.54178","CuKα","","0.0283","0.0272","","","0.0716","0.0726","","","","","","1.036","","","","has coordinates","243394","2020-10-21","18:00:00",""
"4133658","8.048","0.0003","8.858","0.0004","10.9924","0.0005","69.1109","0.0016","76.8504","0.0017","68.754","0.0016","678.01","0.05","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","benzene_MTAD_iPrNH2","","- C12 H20 N4 O3 -","- C12 H20 N4 O3 -","- C24 H40 N8 O6 -","2","1","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0584","0.0472","","","0.094","0.098","","","","","","1.107","","","","has coordinates","243395","2020-10-21","18:00:00",""
"4133659","22.4136","0.001","6.0223","0.0003","19.9058","0.0008","90","","94.244","0.002","90","","2679.5","0.2","100","2","99.95","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C104 H144 N32 O24 -","8","1","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0402","0.0376","","","0.0947","0.0969","","","","","","1.05","","","","has coordinates","243396","2020-10-21","18:00:00",""
"4133660","9.8206","0.0004","11.1581","0.0005","15.3236","0.0007","101.924","0.001","100.739","0.001","100.154","0.001","1573.33","0.12","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","naphthalene_nPrNH2_MTAD","","- C16 H21.31 N4 O2.66 -","- C16 H21.314 N4 O2.657 -","- C64 H85.256 N16 O10.628 -","4","2","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","0.71073","MoKα","","0.0799","0.0551","","","0.1248","0.1376","","","","","","1.029","","","","has coordinates,has disorder","243397","2020-10-21","18:00:00",""
"4133661","9.5948","0.0002","12.3669","0.0003","16.3965","0.0004","99.972","0.001","104.315","0.001","91.519","0.001","1851.78","0.08","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Wertjes, William C.; Okumura, Mikiko; Sarlah, David","Palladium-Catalyzed Dearomative syn-1,4-Diamination.","Journal of the American Chemical Society","2019","141","1","163","167","10.1021/jacs.8b13030","","x-ray","1.54178","CuKα","","0.0449","0.0365","","","0.0805","0.0851","","","","","","1.068","","","","has coordinates","243398","2020-10-21","18:00:00",""
"4133662","19.9464","0.0011","19.9464","0.0011","9.529","0.0009","90","","90","","120","","3283.3","0.4","100","2","100","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H20 Cd N4 O8 -","- C24 H12 Cd N4 O8 -","- C72 H36 Cd3 N12 O24 -","3","0.25","","Qu, Liyuan; Iguchi, Hiroaki; Takaishi, Shinya; Habib, Faiza; Leong, Chanel F.; D'Alessandro, Deanna M; Yoshida, Takefumi; Abe, Hitoshi; Nishibori, Eiji; Yamashita, Masahiro","Porous Molecular Conductor: Electrochemical Fabrication of Through-Space Conduction Pathways among Linear Coordination Polymers.","Journal of the American Chemical Society","2019","141","17","6802","6806","10.1021/jacs.9b01717","","","0.71073","MoKα","","0.1524","0.0839","","","0.2276","0.2609","","","","","","1.092","","","","has coordinates,has disorder","243399","2020-10-21","18:00:00",""
"4133663","10.944","0.0016","11.5746","0.0017","22.46","0.003","90.349","0.006","92.11","0.005","91.978","0.006","2841.4","0.7","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C29 H18 Cd N O6 -","- C58 H36 Cd2 N2 O12 -","- C116 H72 Cd4 N4 O24 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.2319","0.1951","","","0.4551","0.4754","","","","","","1.093","","","","has coordinates,has disorder","243400","2020-10-21","18:00:00",""
"4133664","21.714","0.002","10.0036","0.001","15.182","0.0016","90","","99.158","0.003","90","","3255.8","0.6","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 N6 O12 Zn2 -","- C66 H54 N4 O10 Zn2 -","- C132 H108 N8 O20 Zn4 -","2","0.5","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.0392","0.03","","","0.0721","0.0768","","","","","","1.058","","","","has coordinates","243401","2020-10-21","18:00:00",""
"4133665","11.072","0.01","11.414","0.012","22.31","0.02","91.12","0.04","92.52","0.07","93.32","0.04","2811","5","293","","293","","","","","","","","see text","5","P -1","-P 1","2","","","","- C61 H44 Cd2 N3 O11 -","- C58 H36 Cd2 N2 O9 -","- C116 H72 Cd4 N4 O18 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.2","0.0955","","","0.2664","0.3305","","","","","","0.971","","","","has coordinates,has disorder","243402","2020-10-21","18:00:00",""
"4133666","10.0386","0.0007","16.5446","0.0011","17.6418","0.001","100.011","0.002","104.223","0.002","90.103","0.002","2793.9","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C70 H66.5 Cl1.5 N2 O8 -","- C62 H48 N2 O8 -","- C124 H96 N4 O16 -","2","1","","Mayer, David C.; Manzi, Aurora; Medishetty, Raghavender; Winkler, Benedikt; Schneider, Christian; Kieslich, Gregor; Pöthig, Alexander; Feldmann, Jochen; Fischer, Roland A.","Controlling Multiphoton Absorption Efficiency by Chromophore Packing in Metal-Organic Frameworks.","Journal of the American Chemical Society","2019","141","29","11594","11602","10.1021/jacs.9b04213","","x-ray","0.71073","MoKα","","0.0668","0.0497","","","0.1214","0.1323","","","","","","1.018","","","","has coordinates","243403","2020-10-21","18:00:00",""
"4133667","11.987","0.003","39.23","0.008","47.618","0.011","90","","90","","90","","22392","9","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C14 H8 N0 O8 Zn2 -","- C14 H8 O8 Zn2 -","- C448 H256 O256 Zn64 -","32","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.1059","0.0695","","","0.2016","0.2291","","","","","","1.115","","","","has coordinates","243404","2020-10-21","18:00:00",""
"4133668","22.026","0.004","22.026","0.004","12.068","0.002","90","0.03","90","0.03","120","0.03","5070","2","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H4 N0 O7.75 Zn2 -","- C8 H4 O7.75 Zn2 -","- C96 H48 O93 Zn24 -","12","1","","Yang, Huajun; Peng, Fang; Dang, Candy; Wang, Yong; Hu, Dandan; Zhao, Xiang; Feng, Pingyun; Bu, Xianhui","Ligand Charge Separation To Build Highly Stable Quasi-Isomer of MOF-74-Zn.","Journal of the American Chemical Society","2019","141","25","9808","9812","10.1021/jacs.9b04432","","","0.71073","MoKα","","0.044","0.0396","","","0.1329","0.1358","","","","","","1.233","","","","has coordinates","243405","2020-10-21","18:00:00",""
"4133669","20.15","","20.15","","8.85","","90","","90","","90","","3593.3","","298","","298","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-V_RT","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.2952","0.2801","","","0.5713","0.5808","","","","","","1.08","","","","has coordinates","243406","2020-10-21","18:00:00",""
"4133670","27.3","","27.3","","7.7","","90","","90","","90","","5738.73","","77","","77","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-PMMA_cryo","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.4084","0.4033","","","0.7484","0.7525","","","","","","1.192","","","","has coordinates","243407","2020-10-21","18:00:00",""
"4133671","20.5","","20.5","","9.1","","90","","90","","90","","3824.27","","77","","77","","","","","","","","","3","I 41/a :2","-I 4ad","88","","COF-300-V_Cryo","","- C41 H28 N4 -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.3377","0.3175","","","0.619","0.6295","","","","","","1.05","","","","has coordinates","243408","2020-10-21","18:00:00",""
"4133672","19.9","","19.9","","9.3","","90","","90","","90","","3682.89","","77","","77","","","","","","","","","4","I 41/a :2","-I 4ad","88","","COF-300-H2O","","- C41 H36 N4 O4 -","- C41 H36 N4 O4 -","- C164 H144 N16 O16 -","4","0.25","","Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao","Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.","Journal of the American Chemical Society","2019","141","28","10962","10966","10.1021/jacs.9b04895","","","0.0251","","","0.3074","0.2911","","","0.6091","0.6187","","","","","","1.052","","","","has coordinates","243409","2020-10-21","18:00:00",""
"4133673","20.2514","0.0002","35.0504","0.0002","42.5407","0.0002","90","","90","","90","","30196.2","0.4","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","HCOF-3","","","- C34 H25 N12 S2 -","- C34 H25 N12 S2 -","- C1088 H800 N384 S64 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1723","0.1676","","","0.4469","0.4597","","","","","","2.248","","","","has coordinates,has disorder","243410","2020-10-21","18:00:00",""
"4133674","20.144","0.0003","34.7052","0.0004","42.3035","0.0003","90","","90","","90","","29574.4","0.6","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P7","","","- C29 H27 N12 S -","- C29 H27 N12 S0.995 -","- C928 H864 N384 S31.84 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1489","0.1365","","","0.4046","0.4231","","","","","","1.733","","","","has coordinates,has disorder","243411","2020-10-21","18:00:00",""
"4133675","19.9929","0.0001","34.6322","0.0002","42.3319","0.0002","90","","90","","90","","29310.5","0.3","100","","100","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P6","","","- C61 H58 N24 S2 -","- C61 H58 N24 S2 -","- C976 H928 N384 S32 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.61992","synchrotron","","0.176","0.1708","","","0.482","0.4966","","","","","","2.476","","","","has coordinates,has disorder","243412","2020-10-21","18:00:00",""
"4133676","21.0124","0.0004","35.3974","0.0003","42.5092","0.0002","90","","90","","90","","31617.7","0.7","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","HCOF-2","","","- C33 H26 N12 S2 -","- C33 H26 N12 S2 -","- C1056 H832 N384 S64 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1901","0.183","","","0.4531","0.4665","","","","","","2.152","","","","has coordinates,has disorder","243413","2020-10-21","18:00:00",""
"4133677","20.8296","0.0002","35.3105","0.0003","42.4936","0.0002","90","","90","","90","","31254.2","0.4","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","HCOF-4","","","- C30 H25 N12 -","- C29.99 H24.98 N12 -","- C959.68 H799.36 N384 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","x-ray","0.61992","synchrotron","","0.1798","0.1761","","","0.4285","0.4405","","","","","","2.043","","","","has coordinates,has disorder","243414","2020-10-21","18:00:00",""
"4133678","20.5062","0.0013","35.21","0.002","42.652","0.004","90","","90","","90","","30796","4","150","2","150","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","monomer 1","","","- C62 H68 N24 -","- C62 H68 N24 -","- C992 H1088 N384 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.71073","MoKα","","0.1047","0.0913","","","0.2578","0.2713","","","","","","1.055","","","","has coordinates,has disorder","243415","2020-10-21","18:00:00",""
"4133679","20.6068","0.0005","35.009","0.001","42.3618","0.001","90","","90","","90","","30560.8","1.4","150","2","150","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C58 H68 N24 -","- C58 H68 N24 -","- C928 H1088 N384 -","16","0.5","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","1.54178","CuKα","","0.1287","0.0986","","","0.3052","0.3365","","","","","","1.29","","","","has coordinates,has disorder","243416","2020-10-21","18:00:00",""
"4133680","19.6681","0.0012","34.306","0.002","42.246","0.002","90","","90","","90","","28505","3","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","P5","","","- C30 H34 N12 S -","- C30 H34 N12 S -","- C960 H1088 N384 S32 -","32","1","","Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng","Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.","Journal of the American Chemical Society","2019","141","27","10915","10923","10.1021/jacs.9b05232","","","0.71073","MoKα","","0.1482","0.1386","","","0.4079","0.4218","","","","","","1.999","","","","has coordinates","243417","2020-10-21","18:00:00",""
"4133681","14.4278","0.0013","21.935","0.002","14.7814","0.0014","90","","91.076","0.003","90","","4677.1","0.7","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H79 K O2 Si8 -","- C32 H79 K O2 Si8 -","- C128 H316 K4 O8 Si32 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0296","0.0242","","","0.0552","0.0575","","","","","","1.039","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133682","9.4966","0.0003","13.7852","0.0005","24.0165","0.0009","90","","90","","90","","3144.06","0.19","100","","100","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H56 Si6 -","- C21 H56 Si6 -","- C84 H224 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0259","0.0236","","","0.0572","0.0581","","","","","","1.046","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133683","12.4962","0.001","14.8445","0.001","17.5284","0.0014","90","","108.895","0.003","90","","3076.3","0.4","100","","100","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 Si6 -","- C21 H54 Si6 -","- C84 H216 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0348","0.0282","","","0.0661","0.0692","","","","","","1.037","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133684","11.883","0.0019","12.9036","0.0019","15.496","0.003","94.596","0.006","105.116","0.005","110.563","0.005","2108.6","0.6","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C32 H72 N2 O Si6 -","- C32 H72 N2 O Si6 -","- C64 H144 N4 O2 Si12 -","2","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0407","0.0358","","","0.092","0.095","","","","","","1.038","","","","has coordinates,has disorder","243418","2020-10-21","18:00:00",""
"4133685","11.3385","0.0004","12.1541","0.0004","16.6351","0.0006","90.739","0.002","97.371","0.002","116.989","0.001","2019.35","0.12","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C32 H74 N2 Si6 -","- C32 H74 N2 Si6 -","- C64 H148 N4 Si12 -","2","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0393","0.0306","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133686","17.0644","0.0009","10.4534","0.0006","18.0274","0.0009","90","","90","","90","","3215.7","0.3","100","","100","","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C26 H56 N2 O2 Si3 -","- C26 H56 N2 O2 Si3 -","- C104 H224 N8 O8 Si12 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0376","0.0352","","","0.086","0.0877","","","","","","1.085","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133687","31.226","0.004","33.796","0.004","12.2692","0.0014","90","","90","","90","","12948","3","100","","100","","","","","","","","see text","3","F d d 2","F 2 -2d","43","","","","- C23 H58 Si6 -","- C23 H58 Si6 -","- C368 H928 Si96 -","16","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0182","0.018","","","0.0484","0.0485","","","","","","1.072","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133688","13.5965","0.0002","13.5965","0.0002","37.2086","0.0007","90","","90","","90","","6878.56","0.19","90","2","90","2","","","","","","","","7","P 41","P 4w","76","","","","- C78 H78 Al F6 N6 O7 P -","- C78 H78 Al F6 N6 O7 P -","- C312 H312 Al4 F24 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0718","0.0564","","","0.1406","0.1502","","","","","","1.016","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133689","13.5799","0.0003","13.5799","0.0003","37.5593","0.0007","90","","90","","90","","6926.4","0.3","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","","","- C66 H54 Al N6 O4 -","- C66 H54 Al N6 O4 -","- C264 H216 Al4 N24 O16 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0481","0.0438","","","0.1154","0.1182","","","","","","1.047","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4133690","20.9379","0.0006","22.5375","0.0007","15.8419","0.0005","90","","99.1947","0.0017","90","","7379.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Al N6 Na3 O9 -","- C86 H94 Al N6 Na3 O9 -","- C344 H376 Al4 N24 Na12 O36 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.1058","0.0852","","","0.2432","0.2643","","","","","","1.041","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133691","13.8134","0.0004","31.2138","0.0009","18.4513","0.0006","90","","110.467","0.0017","90","","7453.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73.76 H69.52 Cl8 Ga3 N6 O5.94 -","- C73.76 H69.52 Cl8 Ga3 N6 O5.94 -","- C295.04 H278.08 Cl32 Ga12 N24 O23.76 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0697","0.051","","","0.1381","0.1514","","","","","","1.023","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133692","13.6204","0.0004","13.6204","0.0004","37.271","0.0011","90","","90","","90","","6914.3","0.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C78 H78 F6 Ga N6 O7 P -","- C78 H78 F6 Ga N6 O7 P -","- C312 H312 F24 Ga4 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0588","0.0534","","","0.1387","0.1441","","","","","","1.034","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133693","13.6416","0.0005","13.6416","0.0005","37.5054","0.0014","90","","90","","90","","6979.5","0.4","90","2","90","2","","","","","","","","5","P 43","P 4cw","78","","","","- C82 H86 Ga N6 O8 -","- C82 H86 Ga N6 O8 -","- C328 H344 Ga4 N24 O32 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.065","0.0642","","","0.1701","0.1707","","","","","","1.059","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133694","10.7198","0.0005","15.4675","0.0007","39.951","0.002","90","","90.799","0.004","90","","6623.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83.36 H72.64 Ga N6 Na O4.32 -","- C83.36 H72.64 Ga N6 Na O4.32 -","- C333.44 H290.56 Ga4 N24 Na4 O17.28 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.1698","0.1284","","","0.3103","0.3455","","","","","","1.019","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133695","13.7314","0.0002","32.7897","0.0006","16.3067","0.0003","90","","96.0838","0.0012","90","","7300.7","0.2","90","2","90","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C72 H66 F9 In N6 Na0.5 O6 P1.5 -","- C288 H264 F36 In4 N24 Na2 O24 P6 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0856","0.0732","","","0.2068","0.2192","","","","","","1.091","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133696","14.3365","0.0003","16.4783","0.0003","25.0463","0.0004","77.3649","0.001","89.2744","0.0012","84.9715","0.0013","5751.32","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71.21 H64.71 In N6 O4 -","- C71.215 H64.71 In N6 O4 -","- C284.86 H258.84 In4 N24 O16 -","4","2","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.069","0.0561","","","0.1471","0.1562","","","","","","1.024","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133697","22.1255","0.0013","22.0761","0.0013","15.9027","0.0009","90","","106.087","0.0008","90","","7463.4","0.8","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 In N6 Na O5 -","- C70 H62 In N6 Na O5 -","- C280 H248 In4 N24 Na4 O20 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","0.71073","MoKα","","0.0553","0.0457","","","0.1152","0.1217","","","","","","1.05","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133698","13.5219","0.0005","16.44","0.0007","21.4566","0.0009","87.446","0.002","79.203","0.002","73.2865","0.0018","4487.2","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 Al3 Cl8 N6 O6 -","- C74 H70 Al3 Cl8 N6 O6 -","- C148 H140 Al6 Cl16 N12 O12 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0874","0.0787","","","0.2099","0.2172","","","","","","1.037","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133699","17.8085","0.0003","11.5261","0.0002","16.7708","0.0002","90","","91.217","0.0007","90","","3441.64","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Al Cl2 N3 O2 -","- C39 H33 Al Cl2 N3 O2 -","- C156 H132 Al4 Cl8 N12 O8 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0354","0.0308","","","0.0803","0.0836","","","","","","1.042","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4133700","16.2082","0.0007","16.2082","0.0007","5.791","0.0005","90","","90","","90","","1521.33","0.16","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.25","","Joo, Wontae; Wang, Wade; Mesch, Ryan; Matsuzawa, Kensuke; Liu, Di; Willson, C. Grant","Synthesis of Unzipping Polyester and a Study of its Photochemistry.","Journal of the American Chemical Society","2019","141","37","14736","14741","10.1021/jacs.9b06285","","","0.71073","MoKα","","0.157","0.111","","","0.2121","0.2314","","","","","","1.213","","","","has coordinates","243421","2020-10-21","18:00:00",""
"4133701","19.2667","0.0009","11.2967","0.0006","24.8121","0.0012","90","","105.217","0.003","90","","5211","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C49.46 H62.18 B2 F8 Fe N10.73 -","- C49.456 H62.184 B2 F8 Fe N10.728 -","- C197.824 H248.736 B8 F32 Fe4 N42.912 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0558","0.0488","","","0.1299","0.1335","","","","","","1.056","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133702","23.4382","0.0016","12.0678","0.0008","19.8297","0.0013","90","","105.17","0.001","90","","5413.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 B3 F12 Fe N11 O -","- C48.002 H60.003 B3 F12.009 Fe N11.001 O -","- C192.008 H240.012 B12 F48.036 Fe4 N44.004 O4 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0792","0.0574","","","0.1467","0.1599","","","","","","1.058","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133703","16.4129","0.0009","13.8617","0.0007","46.111","0.002","90","","90","","90","","10490.7","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C360 H456 B16 Cl48 F64 Fe8 N64 O8 -","8","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1683","0.0776","","","0.1409","0.1744","","","","","","1.014","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133704","19.1778","0.0012","19.1778","0.0012","9.8155","0.0008","90","","90","","120","","3126.4","0.4","100","2","100","2","","","","","","","","7","P 3","P 3","143","","","","- C42 H51 B F4 Fe N8 O -","- C42 H51 B F4 Fe N8 O -","- C126 H153 B3 F12 Fe3 N24 O3 -","3","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0472","0.0424","","","0.0955","0.0984","","","","","","1.021","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133705","18.6911","0.0008","18.6911","0.0008","39.1469","0.0019","90","","90","","120","","11844","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C44.67 H53.67 B Cl8 F4 Fe N8 O -","- C44.6667 H53.6667 B Cl8 F4 Fe N8 O -","- C402 H483 B9 Cl72 F36 Fe9 N72 O9 -","9","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1047","0.0765","","","0.1821","0.2002","","","","","","1.034","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4133706","12.2658","0.0019","17.831","0.003","17.641","0.003","90","","91.921","0.004","90","","3856.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Fe N8 O -","- C42 H51 Fe N8 O -","- C168 H204 Fe4 N32 O4 -","4","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1013","0.0483","","","0.0821","0.098","","","","","","1.009","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133707","9.71975","0.00018","31.8436","0.0006","9.22858","0.00017","90","","122.525","0.0007","90","","2408.36","0.08","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Al Br3 N O3 Si -","- C24 H17 Al Br3 N O3 Si -","- C96 H68 Al4 Br12 N4 O12 Si4 -","4","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0316","","","","0.0377","","","","","","1.079","","","","has coordinates","243423","2020-10-21","18:00:00",""
"4133708","32.2397","0.0019","12.9717","0.001","16.1906","0.001","90","","98.752","0.003","90","","6692.1","0.8","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Al N O3 Si -","- C42 H32 Al N O3 Si -","- C336 H256 Al8 N8 O24 Si8 -","8","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0611","","","","0.0985","","","","","","2.266","","","","has coordinates","243424","2020-10-21","18:00:00",""
"4133709","24.586","0.003","10.5567","0.001","20.865","0.002","90","","90","","90","","5415.4","1","123","","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H20 Al Br3 N2 O3 Si -","- C29 H20 Al Br3 N2 O3 Si -","- C232 H160 Al8 Br24 N16 O24 Si8 -","8","2","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.1262","0.0699","","","0.1371","0.1594","","","","","","0.999","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133710","31.9492","0.0011","12.4895","0.0004","16.1636","0.0006","90","","98.3239","0.0019","90","","6381.8","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 B N O3 Si -","- C42 H32 B N O3 Si -","- C336 H256 B8 N8 O24 Si8 -","8","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","1.54187","CuKα","","","0.0797","","","","0.1528","","","","","","1.194","","","","has coordinates","243426","2020-10-21","18:00:00",""
"4133711","9.0037","0.0003","17.1885","0.0005","15.0515","0.0005","90","","94.761","0.003","90","","2321.33","0.13","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 B Br3 N O3 Si -","- C24 H17 B Br3 N O3 Si -","- C96 H68 B4 Br12 N4 O12 Si4 -","4","1","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.043","0.0301","","","0.0564","0.0591","","","","","","1.019","","","","has coordinates","243427","2020-10-21","18:00:00",""
"4133712","8.7733","0.0009","9.6719","0.0011","10.8271","0.0012","66.036","0.005","84.097","0.005","80.862","0.005","828.13","0.16","100","","100","","","","","","","","see text","3","P -1","-P 1","2","","","","- C21 H21 P -","- C21 H21 P -","- C42 H42 P2 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0477","0.0395","","","0.1007","0.1058","","","","","","1.023","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133713","9.1563","0.0012","9.899","0.002","13.221","0.003","95.9","0.005","108.6","0.007","95.516","0.005","1119.1","0.4","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C28 H27 O P -","- C28 H27 O P -","- C56 H54 O2 P2 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0396","0.0358","","","0.0876","0.0901","","","","","","1.049","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133714","10.878","0.0007","20.5915","0.0014","20.3438","0.0013","90","","92.593","0.002","90","","4552.2","0.5","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H75 N3 O2 Si2 -","- C47 H75 N3 O2 Si2 -","- C188 H300 N12 O8 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0532","0.0488","","","0.1149","0.1182","","","","","","1.054","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133715","10.6676","0.0008","10.118","0.0009","14.5035","0.0011","90","","93.603","0.003","90","","1562.3","0.2","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 O P -","- C20 H15 O P -","- C80 H60 O4 P4 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0342","0.0321","","","0.0867","0.0886","","","","","","1.062","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133716","36.225","0.005","36.225","0.005","34.334","0.005","90","","90","","120","","39019","10","100","","100","","","","","","","","see text","6","R -3 :H","-R 3","148","","","","- C62 H86 N3 O3 P Si2 -","- C62 H86 N3 O3 P Si2 -","- C1116 H1548 N54 O54 P18 Si36 -","18","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.135","0.0813","","","0.2419","0.2755","","","","","","1.041","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133717","12.3115","0.0008","16.7455","0.0012","17.3782","0.0012","83.152","0.003","78.214","0.003","83.253","0.003","3466.2","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C78 H100 N3 O P Si2 -","- C78 H100 N3 O P Si2 -","- C156 H200 N6 O2 P2 Si4 -","2","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0626","0.0421","","","0.0948","0.1052","","","","","","1.042","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133718","19.5253","0.0016","11.8248","0.0009","19.9542","0.0016","90","","99.975","0.003","90","","4537.4","0.6","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N3 Si2 -","- C48 H71 N3 Si2 -","- C192 H284 N12 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0386","0.0348","","","0.0847","0.0869","","","","","","1.054","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133719","23.695","0.003","18.5885","0.0019","25.738","0.002","90","","90","","90","","11336","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C48 H79 N5 Si2 -","- C48 H79 N5 Si2 -","- C384 H632 N40 Si16 -","8","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0466","0.0428","","","0.1062","0.1091","","","","","","1.074","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133720","9.8772","0.0003","10.1837","0.0003","14.5626","0.0004","104.501","0.003","90.579","0.002","91.309","0.002","1417.58","0.07","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C44 H80 Si12 -","2","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0521","0.0396","","","0.0975","0.1054","","","","","","1.058","","","","has coordinates,has disorder","243429","2020-10-21","18:00:00",""
"4133721","12.1961","0.0003","12.2373","0.0002","18.3114","0.0004","93.9832","0.0017","103.109","0.002","117.474","0.002","2313.09","0.1","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H62 Si10 -","- C38 H62 Si10 -","- C76 H124 Si20 -","2","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0412","0.0342","","","0.0819","0.0853","","","","","","1.07","","","","has coordinates,has disorder","243430","2020-10-21","18:00:00",""
"4133722","14.3961","0.0005","14.4414","0.0003","27.9432","0.0007","90","","103.685","0.003","90","","5644.5","0.3","110","2","110","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H40 Si6 -","- C22 H40 Si6 -","- C176 H320 Si48 -","8","2","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.04","0.0355","","","0.0801","0.0827","","","","","","1.027","","","","has coordinates","243431","2020-10-21","18:00:00",""
"4133723","13.7763","0.0006","15.0391","0.0004","16.5372","0.0007","90","","109.983","0.005","90","","3219.9","0.2","110","2","110","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C14 H46 Si10 -","- C14 H46 Si10 -","- C56 H184 Si40 -","4","1","","Marro, Eric A.; Folster, Carlton P.; Press, Eric M.; Im, Hoyeon; Ferguson, John T.; Siegler, Maxime A.; Klausen, Rebekka S.","Stereocontrolled Syntheses of Functionalized <i>cis</i>- and <i>trans</i>-Siladecalins.","Journal of the American Chemical Society","2019","141","44","17926","17936","10.1021/jacs.9b09902","","","0.71073","MoKα","","0.0564","0.0364","","","0.087","0.0972","","","","","","1.044","","","","has coordinates,has disorder","243432","2020-10-21","18:00:00",""
"4133724","25.8095","0.0009","25.8095","0.0009","6.8241","0.0003","90","","90","","120","","3936.7","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(1-butene)1.59","","","- C14.36 H14.71 Co2 O6 -","- C14.36 H14.72 Co2 O6 -","- C129.24 H132.48 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0465","0.0438","","","0.1235","0.1253","","","","","","1.074","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133725","25.892","0.004","25.892","0.004","6.848","0.0014","90","","90","","120","","3975.8","1.2","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(cis-2-butene)1.6","","","- C14.31 H14.61 Co2 O6 -","- C14.408 H14.816 Co2 O6 -","- C129.672 H133.344 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7288","synchrotron","","0.0671","0.0504","","","0.1096","0.1181","","","","","","1.051","","","","has coordinates,has disorder","243433","2020-10-21","18:00:00",""
"4133726","25.813","0.0011","25.813","0.0011","6.8924","0.0003","90","","90","","120","","3977.2","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(trans-2-butene)1.48","","","- C13.93 H13.86 Co2 O6 -","- C13.928 H13.856 Co2 O6 -","- C125.352 H124.704 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0551","0.0455","","","0.1188","0.1236","","","","","","1.052","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133727","25.982","0.001","25.982","0.001","6.8437","0.0005","90","","90","","120","","4001","0.4","250","","250","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2mdobdc_1C4H8","","","- C7.28 H7.56 Co O3 -","- C7.78 H7.56 Co O3 -","- C140.04 H136.08 Co18 O54 -","18","1","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","powder diffraction","x-ray","0.45415","synchrotron","","","","","","","","","0.032","4.053","","","","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133728","26.089","0.003","26.089","0.003","6.8483","0.0008","90","","90","","120","","4036.7","0.8","125","","125","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2mdobdc_cisC4H8_1p5","","","- C8.17 H8.28 Co O3 -","- C9.17 H8.78 Co O3 -","- C165.06 H158.04 Co18 O54 -","18","1","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.031","2.85","","","","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133729","38.1427","0.0019","38.1427","0.0019","13.6269","0.0007","90","","90","","90","","19825.3","1.7","100","2","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C11.25 H10.66 Mn0.5 Mo3 N O12 -","- C11.25 H10.5 Mn0.5 Mo3 N O12 -","- C180 H168 Mn8 Mo48 N16 O192 -","16","1","","Xu, Wentao; Pei, Xiaokun; Diercks, Christian S.; Lyu, Hao; Ji, Zhe; Yaghi, Omar M.","A Metal-Organic Framework of Organic Vertices and Polyoxometalate Linkers as a Solid-State Electrolyte.","Journal of the American Chemical Society","2019","141","44","17522","17526","10.1021/jacs.9b10418","","x-ray","0.7288","synchrotron","","0.079","0.0737","","","0.2282","0.2369","","","","","","1.059","","","","has coordinates,has disorder","243434","2020-10-21","18:00:00",""
"4133730","9.3832","0.0001","20.3013","0.0003","13.4142","0.0002","90","","103.829","0.001","90","","2481.22","0.06","225","2","225","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 F10 N2 Ni O3 S -","- C19 H18 Cl2 F10 N2 Ni O3 S -","- C76 H72 Cl8 F40 N8 Ni4 O12 S4 -","4","1","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0547","0.0539","","","0.1341","0.1354","","","","","","1.097","","","","has coordinates,has disorder","243740","2020-10-21","18:00:00",""
"4133731","18.5124","0.0003","12.35978","0.00012","16.538","0.0002","90","","115.122","0.002","90","","3426.1","0.1","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl F7 N2 Ni -","- C17 H16 Cl F7 N2 Ni -","- C136 H128 Cl8 F56 N16 Ni8 -","8","2","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0386","0.0382","","","0.1099","0.1103","","","","","","1.079","","","","has coordinates","243741","2020-10-21","18:00:00",""
"4133732","10.0599","0.0003","10.1627","0.0003","17.7842","0.0004","98.804","0.002","99.219","0.002","91.664","0.002","1770.87","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 F7 N2 Ni -","- C17 H17 F7 N2 Ni -","- C68 H68 F28 N8 Ni4 -","4","2","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0618","0.0593","","","0.1608","0.164","","","","","","1.074","","","","has coordinates","243742","2020-10-21","18:00:00",""
"4133733","10.1598","0.0004","12.5223","0.0005","14.8714","0.0004","103.369","0.003","90.992","0.002","111.482","0.003","1701.95","0.12","225","2","225","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 F8 N2 Ni -","- C17 H16 F8 N2 Ni -","- C68 H64 F32 N8 Ni4 -","4","2","","Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S.","Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11999","","","1.54184","CuKα","","0.0751","0.0664","","","0.1719","0.1772","","","","","","1.005","","","","has coordinates","243743","2020-10-21","18:00:00",""
"4133734","13.6454","0.0005","15.2125","0.0005","19.0933","0.0007","76.314","0.001","74.233","0.001","76.513","0.001","3645","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H242 Li4 O2 Si10 -","- C146 H242 Li4 O2 Si10 -","- C146 H242 Li4 O2 Si10 -","1","0.5","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","1.54178","CuKα","","0.0582","0.0544","","","0.1504","0.1548","","","","","","1.049","","","","has coordinates,has disorder","243794","2020-10-21","18:00:00",""
"4133735","24.7021","0.0009","27.0801","0.0008","24.4934","0.0007","90","","113.369","0.0015","90","","15040.4","0.8","142","2","142","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C71 H122 Si7 -","- C71 H122 Si7 -","- C568 H976 Si56 -","8","2","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.152","0.0739","","","0.1395","0.1733","","","","","","1.024","","","","has coordinates,has disorder","243795","2020-10-21","18:00:00",""
"4133736","20.5557","0.0011","13.3994","0.001","24.2831","0.0017","90","","90.261","0.002","90","","6688.3","0.8","142","2","142","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H106 N P Si5 -","- C66 H106 N P Si5 -","- C264 H424 N4 P4 Si20 -","4","1","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.1617","0.0776","","","0.1784","0.2022","","","","","","1.383","","","","has coordinates,has disorder","243796","2020-10-21","18:00:00",""
"4133737","13.5006","0.0006","13.5798","0.0006","18.9871","0.0008","98.387","0.002","92.938","0.002","106.305","0.002","3289.7","0.3","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 B N Si5 -","- C66 H106 B N Si5 -","- C132 H212 B2 N2 Si10 -","2","1","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.0527","0.0373","","","0.0889","0.0965","","","","","","1.028","","","","has coordinates","243797","2020-10-21","18:00:00",""
"4133738","16.003","0.0011","29.9444","0.0019","31.757","0.002","107.539","0.003","97.162","0.003","93.935","0.003","14306.3","1.6","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.75 H223.75 Li4 O3 Si10 -","- C138.75 H223.75 Li4 O3 Si10 -","- C555 H895 Li16 O12 Si40 -","4","2","","Heider, Yannic; Willmes, Philipp; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Boron and phosphorus containing heterosiliconoids: stable p- and n-doped unsaturated silicon clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11181","","","0.71073","MoKα","","0.1407","0.0716","","","0.1646","0.1988","","","","","","1.019","","","","has coordinates,has disorder","243798","2020-10-21","18:00:00",""
"4133739","13.6082","0.0002","15.8839","0.0003","35.5338","0.0006","90","","90","","90","","7680.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H50 Al2 F24 O4 -","- C79 H50 Al2 F24 O4 -","- C316 H200 Al8 F96 O16 -","4","1","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.0889","0.0712","","","0.1918","0.2033","","","","","","1.098","","","","has coordinates,has disorder","243799","2020-10-21","18:00:00",""
"4133740","8.2054","0.0005","22.5851","0.0016","26.1244","0.0015","90","","90","","90","","4841.4","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H39 Al Cl F12 N O4 -","- C54.5 H39 Al Cl F12 N O4 -","- C218 H156 Al4 Cl4 F48 N4 O16 -","4","1","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.1562","0.0985","","","0.2511","0.2991","","","","","","1.036","","","","has coordinates,has disorder","243800","2020-10-21","18:00:00",""
"4133741","14.3514","0.001","13.1538","0.0009","14.7984","0.001","90","","102.465","0.003","90","","2727.7","0.3","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 B N O3 -","- C13 H20 B N O3 -","- C104 H160 B8 N8 O24 -","8","4","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.0793","0.0567","","","0.131","0.1444","","","","","","1.025","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4133742","11.504","0.004","12.022","0.004","35.623","0.012","90","","98.963","0.004","90","","4867","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H62 N8 O25 V8 -","- C16 H52 N8 O25 V8 -","- C64 H208 N32 O100 V32 -","4","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.1022","0.0709","","","0.1818","0.1957","","","","","","1.054","","","","has coordinates","244862","2020-10-21","18:00:00",""
"4133743","20.2406","0.0014","11.0849","0.0008","17.9819","0.0013","90","","91.13","0.001","90","","4033.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H60 N8 O21 V8 -","- C17 H60 N8 O21 V8 -","- C68 H240 N32 O84 V32 -","4","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.0313","0.0255","","","0.0673","0.0699","","","","","","1.057","","","","has coordinates,has disorder","244863","2020-10-21","18:00:00",""
"4133744","14.2","0.007","14.687","0.007","16.06","0.008","63.058","0.005","86.238","0.005","87.833","0.005","2979","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H92 N8 O28 V8 -","- C33 H64 N8 O28 V8 -","- C66 H128 N16 O56 V16 -","2","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.1462","0.0975","","","0.2715","0.2981","","","","","","1.073","","","","has coordinates","244864","2020-10-21","18:00:00",""
"4133745","10.86","0.003","10.943","0.003","18.188","0.005","106.159","0.003","98.602","0.003","91.609","0.003","2047.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H60 N8 O24 V8 -","- C16 H57.564 N8 O24 V8 -","- C32 H115.128 N16 O48 V16 -","2","1","","Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan","LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11146","","","0.71073","MoKα","","0.0721","0.0605","","","0.1666","0.1717","","","","","","1.1","","","","has coordinates,has disorder","244865","2020-10-21","18:00:00",""
"4133746","11.1917","0.0005","12.996","0.0006","14.8015","0.0007","91.307","0.002","93.718","0.002","91.239","0.002","2147.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Au Cl3 N2 O -","- C48 H56 Au Cl3 N2 O -","- C96 H112 Au2 Cl6 N4 O2 -","2","1","","Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah","Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.","Journal of the American Chemical Society","2019","141","49","19466","19478","10.1021/jacs.9b10607","","","0.71073","MoKα","","0.0414","0.0404","","","0.1159","0.1174","","","","","","1.095","","","","has coordinates,has disorder","246565","2020-10-21","18:00:00",""
"4133747","8.3336","0.0004","9.1601","0.0004","19.8551","0.0009","92.442","0.001","99.223","0.001","98.617","0.001","1475.74","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Au F3 N3 O3 S -","- C32 H29 Au F3 N3 O3 S -","- C64 H58 Au2 F6 N6 O6 S2 -","2","1","","Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah","Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.","Journal of the American Chemical Society","2019","141","49","19466","19478","10.1021/jacs.9b10607","","x-ray","0.71073","MoKα","","0.0161","0.0153","","","0.0379","0.0385","","","","","","1.047","","","","has coordinates","246565","2020-10-21","18:00:00",""
"4133748","10.4083","0.0001","11.2812","0.0001","33.5735","0.0002","90","","90","","90","","3942.14","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N O P S -","- C48 H54 N O P S -","- C192 H216 N4 O4 P4 S4 -","4","1","","Zhu, Chenghao; Chu, Haoke; Li, Gen; Ma, Shengming; Zhang, Junliang","Pd-Catalyzed Enantioselective Heck Reaction of Aryl Triflates and Alkynes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10883","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.0622","0.0625","","","","","","1.03","","","","has coordinates","244868","2020-10-21","18:00:00",""
"4133749","6.3651","0.0002","18.5633","0.0007","19.196","0.0008","90","","90","","90","","2268.15","0.15","179.99","0.17","179.99","0.17","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0851","0.0623","","","0.1457","0.1571","","","","","","1.032","","","","has coordinates,has disorder","246546","2020-10-21","18:00:00",""
"4133750","9.9501","0.0001","16.1588","0.0002","17.0386","0.0002","90","","90","","90","","2739.49","0.05","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O3 -","- C33 H40 O3 -","- C132 H160 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0879","0.0899","","","","","","1.049","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133751","9.4175","0.0002","12.3116","0.0002","12.9079","0.0002","90","","96.017","0.002","90","","1488.35","0.05","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H43 Br O4 -","- C35 H43 Br O4 -","- C70 H86 Br2 O8 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.029","0.0264","","","0.0628","0.0637","","","","","","1.013","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133752","6.1346","0.0004","22.0981","0.0011","7.4304","0.0004","90","","111.029","0.007","90","","940.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0432","0.0369","","","0.0879","0.0912","","","","","","1.036","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133753","10.7367","0.0004","22.948","0.0006","34.1561","0.001","90","","90","","90","","8415.6","0.5","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O3 -","- C34 H42 O3 -","- C408 H504 O36 -","12","3","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0711","0.0476","","","0.1143","0.1252","","","","","","1.012","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133754","10.3376","0.0004","22.9642","0.001","19.6707","0.0008","90","","98.225","0.002","90","","4621.7","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl3 N O2 P2 Re -","- C17 H31 Cl3 N O2 P2 Re -","- C136 H248 Cl24 N8 O16 P16 Re8 -","8","2","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0393","0.0316","","","0.0685","0.0713","","","","","","1.122","","","","has coordinates,has disorder","245104","2020-10-21","18:00:00",""
"4133755","10.3017","0.0001","18.1366","0.0003","22.0765","0.0003","90","","90.248","0.001","90","","4124.69","0.1","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 Cl3 Co N O2 P2 Re -","- C37 H61 Cl3 Co N O2 P2 Re -","- C148 H244 Cl12 Co4 N4 O8 P8 Re4 -","4","1","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0332","0.028","","","0.0636","0.0658","","","","","","1.029","","","","has coordinates,has disorder","245104","2020-10-21","18:00:00",""
"4133756","17.3593","0.0002","16.8784","0.0002","15.7289","0.0002","90","","99.335","0.001","90","","4547.49","0.1","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl2 N2 O2 P2 Re -","- C17 H31 Cl2 N2 O2 P2 Re -","- C136 H248 Cl16 N16 O16 P16 Re8 -","8","2","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0349","0.0338","","","0.0729","0.0734","","","","","","1.229","","","","has coordinates","245104","2020-10-21","18:00:00",""
"4133757","19.8067","0.0004","10.1615","0.0002","22.612","0.0005","90","","99.1846","0.0009","90","","4492.67","0.16","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 Cl4 N4 O4 P4 Re2 -","- C34 H62 Cl4 N4 O4 P4 Re2 -","- C136 H248 Cl16 N16 O16 P16 Re8 -","4","0.5","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.54178","CuKα","","0.0526","0.0505","","0.1159","0.1143","0.1159","","","","","","1.0074","","","","has coordinates,has disorder","245104","2020-10-21","18:00:00",""
"4133758","18.2061","0.0003","13.5815","0.0002","20.4559","0.0004","90","","104.838","0.001","90","","4889.38","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H66 Cl4 N4 O4 P4 Re2 -","- C37.5 H66 Cl4 N4 O4 P4 Re2 -","- C150 H264 Cl16 N16 O16 P16 Re8 -","4","1","","Bruch, Quinton J.; Connor, Gannon P.; Chen, Chun-Hsing; Holland, Patrick L.; Mayer, James M.; Hasanayn, Faraj; Miller, Alexander J. M.","Dinitrogen Reduction to Ammonium at Rhenium Utilizing Light and Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10031","","","1.5418","CuKα","","0.0389","0.0312","","0.075","0.0717","0.075","","","","","","1.0199","","","","has coordinates","245104","2020-10-21","18:00:00",""
"4133759","8.97867","0.00005","20.51133","0.00008","13.55182","0.00006","90","","91.3811","0.0004","90","","2495.04","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 O4.5 P2 -","- C28 H29 O4.5 P2 -","- C112 H116 O18 P8 -","4","2","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0229","0.0226","","","0.0583","0.0584","","","","","","1.024","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4133760","16.5166","0.0001","10.2647","0.0001","25.2392","0.0002","90","","103.904","0.001","90","","4153.63","0.06","100.01","0.11","100.01","0.11","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C72 H88 Cl2 N2 O2 P2 Pd S2 -","- C144 H176 Cl4 N4 O4 P4 Pd2 S4 -","2","1","","Dai, Qiang; Li, Wenbo; Li, Zhiming; Zhang, Junliang","P-Chiral Phosphines Enabled by Palladium/Xiao-Phos-Catalyzed Asymmetric P-C Cross-Coupling of Secondary Phosphine Oxides and Aryl Bromides.","Journal of the American Chemical Society","2019","141","51","20556","20564","10.1021/jacs.9b11938","","x-ray","1.54184","CuKα","","0.0478","0.0464","","","0.1155","0.1166","","","","","","1.085","","","","has coordinates","246548","2020-10-21","18:00:00",""
"4133761","9.2264","0.0004","9.8051","0.0004","12.0617","0.0006","112.12","0.002","103.086","0.002","101.278","0.002","935.71","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 B Cl O2 -","- C18 H28 B Cl O2 -","- C36 H56 B2 Cl2 O4 -","2","1","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0751","0.0613","","","0.1682","0.1802","","","","","","1.03","","","","has coordinates,has disorder","246549","2020-10-21","18:00:00",""
"4133762","11.9599","0.0006","13.0727","0.0006","14.6426","0.0007","106.075","0.002","108.081","0.002","102.136","0.002","1978.23","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H59 B2 Cl2 N O8 S -","- C37 H59 B2 Cl2 N O8 S -","- C74 H118 B4 Cl4 N2 O16 S2 -","2","1","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0489","0.0374","","","0.0799","0.0856","","","","","","1.037","","","","has coordinates","246549","2020-10-21","18:00:00",""
"4133763","11.4834","0.0008","13.1501","0.0009","14.4544","0.001","72.64","0.002","89.929","0.002","77.252","0.002","2027.1","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H54 F32 Ir2 N8 O3 P2 -","- C77 H54 F32 Ir2 N8 O3 P2 -","- C77 H54 F32 Ir2 N8 O3 P2 -","1","0.5","","Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.","Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2019","141","51","20069","20078","10.1021/jacs.9b08282","","","0.71073","MoKα","","0.0532","0.0478","","","0.1216","0.1246","","","","","","1.275","","","","has coordinates","246549","2020-10-21","18:00:00",""
"4133764","8.5727","0.0008","16.9926","0.0015","23.2758","0.0018","71.52","0.004","84.686","0.004","76.424","0.004","3125.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H37 B N Ti -","- C20.9997 H36.9977 B0.999667 N0.999667 Ti -","- C125.998 H221.986 B5.998 N5.998 Ti6 -","6","3","","LaPierre, Etienne A.; Patrick, Brian O.; Manners, Ian","Trivalent Titanocene Alkyls and Hydrides as Well-Defined, Highly Active, and Broad Scope Precatalysts for Dehydropolymerization of Amine-Boranes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11112","","x-ray","0.71073","MoKα","","0.1126","0.0658","","","0.1362","0.1667","","","","","","1.074","","","","has coordinates,has disorder","245110","2020-10-21","18:00:00",""
"4133765","43.5489","0.0003","43.5489","0.0003","43.5489","0.0003","90","","90","","90","","82590.8","1","100","0.1","100","0.1","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C13 H8 Cu N9 O4 Zn2 -","- C13 H8 Cu N9 O4 Zn2 -","- C1248 H768 Cu96 N864 O384 Zn192 -","96","0.5","","Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan","Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10923","","x-ray","1.54184","CuKα","","0.0652","0.05","","","0.1279","0.1347","","","","","","1.073","","","","has coordinates,has disorder","245111","2020-10-21","18:00:00",""
"4133766","43.54745","0.00012","43.54745","0.00012","43.54745","0.00012","90","","90","","90","","82582.5","0.4","100","0.11","100","0.11","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","","","- C16 H15 Cu3 N10 O5 -","- C16 H15 Cu3 N10 O5 -","- C1536 H1440 Cu288 N960 O480 -","96","0.5","","Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan","Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10923","","x-ray","1.54184","CuKα","","0.0504","0.0474","","","0.1349","0.1377","","","","","","1.029","","","","has coordinates,has disorder","245111","2020-10-21","18:00:00",""
"4133767","20.566","0.0007","22.9402","0.0008","23.6774","0.0009","71.31","0.001","65.059","0.001","68.595","0.002","9245","0.6","150","2","150","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C147 H102 F27 N2 O6 P4 Ru S6 Yb -","- C147 H102 F27 N2 O6 P4 Ru S6 Yb -","- C294 H204 F54 N4 O12 P8 Ru2 S12 Yb2 -","2","1","","Al Sabea, Hassan; Norel, Lucie; Galangau, Olivier; Hijazi, Hussein; Métivier, Remi; Roisnel, Thierry; Maury, Olivier; Bucher, Christophe; Riobé, François; Rigaut, Stéphane","Dual Light and Redox Control of NIR Luminescence with Complementary Photochromic and Organometallic Antennae.","Journal of the American Chemical Society","2019","141","51","20026","20030","10.1021/jacs.9b11318","","x-ray","0.71073","MoKα","","0.1009","0.0682","","","0.1599","0.1898","","","","","","1.045","","","","has coordinates","246551","2020-10-21","18:00:00",""
"4133768","17.598","0.0005","16.9502","0.0005","26.7945","0.0007","90","","106.438","0.001","90","","7665.8","0.4","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H53 N4 Ni S2 U2 -","- C128 H53 N4 Ni S2 U2.0261 -","- C512 H212 N16 Ni4 S8 U8.1044 -","4","1","","Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning","Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.","Journal of the American Chemical Society","2019","141","51","20249","20260","10.1021/jacs.9b10247","","","0.82653","synchrotron","","0.0655","0.0626","","","0.183","0.1864","","","","","","1.033","","","","has coordinates","246552","2020-10-21","18:00:00",""
"4133769","17.6747","0.0015","16.8738","0.0011","26.3272","0.0015","90","","106.042","0.007","90","","7546.1","1","113","2","112.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N4 Ni S2 U1.92 -","- C126 H53 N4 Ni S2 U1.9249 -","- C504 H212 N16 Ni4 S8 U7.6996 -","4","1","","Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning","Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.","Journal of the American Chemical Society","2019","141","51","20249","20260","10.1021/jacs.9b10247","","","1.54178","CuKα","","0.0772","0.0741","","","0.2025","0.2055","","","","","","1.031","","","","has coordinates,has disorder","246552","2020-10-21","18:00:00",""
"4133770","52.118","0.003","21.587","0.0012","26.1688","0.0016","90","","90","","90","","29442","3","100","2","100","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- Co3.69 K3.14 Li0.8 Mo Na1.28 O131.76 P5 W29 -","- Co3.694 K3.294 Li0.8 Mo Na1.01 O131.318 P5 W29 -","- Co29.552 K26.352 Li6.4 Mo8 Na8.08 O1050.55 P40 W232 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0831","0.0614","","","0.1375","0.1506","","","","","","1.137","","","","has coordinates,has disorder","245115","2020-10-21","18:00:00",""
"4133771","21.6852","0.0016","79.711","0.006","26.2481","0.0019","90","","90","","90","","45371","6","100","2","100.15","","","","","","","","","7","C m m a","-C 2a 2","67","","","","- Bi1.07 Co3.5 K3.44 Li0.67 O131.08 P5 W30 -","- Bi1.04667 Co3.5 K3.44133 Li0.666667 O131.083 P5 W30 -","- Bi12.56 Co42 K41.296 Li8 O1573 P60 W360 -","12","0.75","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0797","0.064","","","0.1416","0.1504","","","","","","1.146","","","","has coordinates,has disorder","245116","2020-10-21","18:00:00",""
"4133772","52.137","0.003","21.5598","0.0012","26.1562","0.0016","90","","90","","90","","29401","3","100","2","100","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- K3.28 Na1.65 O138.58 P5 W30 Zn3.46 -","- K3.2866 Na1.65 O138.583 P5 W30 Zn3.46 -","- K26.2928 Na13.2 O1108.66 P40 W240 Zn27.68 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.122","0.0887","","","0.2113","0.2452","","","","","","1.059","","","","has coordinates,has disorder","245117","2020-10-21","18:00:00",""
"4133773","52.178","0.003","21.6024","0.0012","26.1423","0.0016","90","","90","","90","","29467","3","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- Fe3.5 K2.75 Li Na1.25 O128.33 P5 W30 -","- Fe3.5 K2.75 Li Na1.25 O128.333 P5 W30 -","- Fe28 K22 Li8 Na10 O1026.67 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1181","0.0722","","","0.1579","0.1784","","","","","","1.05","","","","has coordinates,has disorder","245118","2020-10-21","18:00:00",""
"4133774","52.101","0.009","21.545","0.004","26.104","0.005","90","","90","","90","","29302","9","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- K1.42 Li0.6 Na1.28 Ni3.01 O133.68 P5 W30 -","- K1.422 Li0.6 Na1.28 Ni3.004 O133.675 P5 W30 -","- K11.376 Li4.8 Na10.24 Ni24.032 O1069.4 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1215","0.0864","","","0.1811","0.2118","","","","","","1.07","","","","has coordinates,has disorder","245119","2020-10-21","18:00:00",""
"4133775","52.361","0.003","21.6772","0.0012","26.1817","0.0016","90","","90","","90","","29717","3","100","2","100","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- Fe3.38 K3.86 Li Mo Na1.01 O126.73 P5 W29 -","- Fe3.374 K3.8533 Li Mo Na1.02 O126.733 P5 W29 -","- Fe26.992 K30.8264 Li8 Mo8 Na8.16 O1013.86 P40 W232 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0969","0.0831","","","0.1797","0.1888","","","","","","1.175","","","","has coordinates,has disorder","245120","2020-10-21","18:00:00",""
"4133776","21.6853","0.0016","79.455","0.006","26.2348","0.0019","90","","90","","90","","45203","6","100","2","100.15","","","","","","","","","7","C m m a","-C 2a 2","67","","","","- Co3.57 K1.78 Li O125.11 P5 Sm1.04 W30 -","- Co3.65733 K1.77333 Li O125.111 P5 Sm1.04267 W30 -","- Co43.888 K21.28 Li12 O1501.33 P60 Sm12.512 W360 -","12","0.75","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1081","0.0897","","","0.1924","0.2033","","","","","","1.173","","","","has coordinates,has disorder","245121","2020-10-21","18:00:00",""
"4133777","52.548","0.003","21.6349","0.0012","25.8226","0.0016","90","","90","","90","","29357","3","100","2","100","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- Cu3.04 K3.25 Na1.45 O133.47 P5 W30 -","- Cu3.038 K3.25 Na1.46 O133.47 P5 W30 -","- Cu24.304 K26 Na11.68 O1067.76 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.1231","0.0881","","","0.2074","0.2422","","","","","","1.051","","","","has coordinates,has disorder","245122","2020-10-21","18:00:00",""
"4133778","52.303","0.008","21.664","0.002","26.055","0.003","90","","90","","90","","29523","6","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- K1.73 Li0.25 Mn3.3 Na2.44 O125 P5 W30 -","- K1.73 Li0.25 Mn3.3 Na2.45 O125 P5 W30 -","- K13.84 Li2 Mn26.4 Na19.6 O1000 P40 W240 -","8","0.5","","Chen, Linfeng; San, Khin A.; Turo, Michael J.; Gembicky, Milan; Fereidouni, Shelir; Kalaj, Mark; Schimpf, Alina M.","Tunable Metal Oxide Frameworks via Coordination Assembly of Preyssler-Type Molecular Clusters.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10277","","x-ray","0.71073","MoKα","","0.0999","0.0679","","","0.1607","0.1751","","","","","","1.094","","","","has coordinates,has disorder","245123","2020-10-21","18:00:00",""
"4133779","14.7058","0.0003","10.8534","0.0002","16.2209","0.0003","90","","114.202","0.008","90","","2361.43","0.17","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O S2 -","- C31 H24 O S2 -","- C124 H96 O4 S8 -","4","1","","Mizutsu, Ryo; Asato, Ryosuke; Martin, Colin J.; Yamada, Mihoko; Nishikawa, Yoshiko; Katao, Shohei; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi","Photo-Lewis Acid Generator Based on Radical-Free 6π Photo-Cyclization Reaction.","Journal of the American Chemical Society","2019","141","51","20043","20047","10.1021/jacs.9b11821","","","0.71075","MoKα","","0.0349","0.0335","","","0.0849","0.086","","","","","","1.058","","","","has coordinates","246553","2020-10-21","18:00:00",""
"4133780","16.3908","0.0003","8.62288","0.00017","19.0929","0.0004","90","","102.722","0.007","90","","2632.26","0.12","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 F3 O3 S3 -","- C31 H21 F3 O3 S3 -","- C124 H84 F12 O12 S12 -","4","1","","Mizutsu, Ryo; Asato, Ryosuke; Martin, Colin J.; Yamada, Mihoko; Nishikawa, Yoshiko; Katao, Shohei; Yamada, Miku; Nakashima, Takuya; Kawai, Tsuyoshi","Photo-Lewis Acid Generator Based on Radical-Free 6π Photo-Cyclization Reaction.","Journal of the American Chemical Society","2019","141","51","20043","20047","10.1021/jacs.9b11821","","","0.71075","MoKα","","0.048","0.0355","","","0.0776","0.082","","","","","","1.03","","","","has coordinates","246553","2020-10-21","18:00:00",""
"4133781","28.507","0.008","8.438","0.002","19.622","0.005","90","","100.864","0.003","90","","4635","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N7 O6.12 -","- C25 H23 N7 O6 -","- C200 H184 N56 O48 -","8","1","","Sun, Yuren; Gu, Jun; Wang, Hongyu; Sessler, Jonathan L.; Thordarson, Pall; Lin, Yue-Jian; Gong, Hegui","AAAA-DDDD Quadruple H-Bond-Assisted Ionic Interactions: Robust Bis(Guanidinium)/DiCarboxylate Heteroduplexes in Water.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09503","","","0.71073","MoKα","","0.1054","0.0507","","","0.1219","0.1446","","","","","","0.956","","","","has coordinates","245126","2020-10-21","18:00:00",""
"4133782","10.13686","0.00018","27.9904","0.0005","29.413","0.0007","90","","90","","90","","8345.5","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C82 H120 K2 N4 O3 Sc2 -","- C82 H120 K2 N4 O3 Sc2 -","- C328 H480 K8 N16 O12 Sc8 -","4","0.5","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.1094","0.104","","","0.2451","0.2549","","","","","","1.185","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133783","16.1534","0.0003","21.9933","0.0005","18.0185","0.0004","90","","93.986","0.002","90","","6385.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H100 K N4 O8 Sc -","- C61 H100 K N4 O8 Sc -","- C244 H400 K4 N16 O32 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0522","0.0456","","","0.1241","0.1299","","","","","","1.025","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133784","12.9177","0.0003","24.4065","0.0005","17.75","0.0004","90","","93.882","0.002","90","","5583.3","0.2","180","0.2","180","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H88 K N4 O6 Sc Si -","- C50 H88 K N4 O6 Sc Si -","- C200 H352 K4 N16 O24 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0515","0.0423","","","0.1057","0.1123","","","","","","1.024","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133785","22.869","0.003","8.6245","0.0009","20.838","0.003","90","","107.273","0.016","90","","3924.6","0.9","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 K N2 O Sc -","- C41 H56 K N2 O Sc -","- C164 H224 K4 N8 O4 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0842","0.0687","","","0.1511","0.1583","","","","","","1.165","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133786","11.5768","0.0003","15.0488","0.0004","22.132","0.0006","109.736","0.002","92.258","0.002","91.702","0.002","3622.66","0.17","179.99","0.11","179.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C68 H94 N6 Sc2 -","- C68 H94 N6 Sc2 -","- C136 H188 N12 Sc4 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0469","0.0391","","","0.1025","0.1075","","","","","","1.021","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133787","10.8626","0.0002","16.8834","0.0004","33.3909","0.0007","90","","90","","90","","6123.8","0.2","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H93 K N5 O7 Sc Si -","- C57 H93 K N5 O7 Sc Si -","- C228 H372 K4 N20 O28 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0403","0.0348","","","0.0812","0.0835","","","","","","1.018","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133788","10.7441","0.0004","25.3512","0.0007","21.2161","0.0006","90","","103.475","0.003","90","","5619.7","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H84 K N6 O7 Sc -","- C53 H84 K N6 O7 Sc -","- C212 H336 K4 N24 O28 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0468","0.0396","","","0.0929","0.0966","","","","","","1.047","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133789","10.4972","0.0003","31.6651","0.0007","14.7793","0.0003","90","","101.47","0.002","90","","4814.5","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H74 K N10 O6 Sc -","- C39 H74 K N10 O6 Sc -","- C156 H296 K4 N40 O24 Sc4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0365","0.0312","","","0.0781","0.0807","","","","","","1.022","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133790","10.3841","0.0003","13.5846","0.0003","22.4918","0.0006","77.35","0.002","89.627","0.002","85.456","0.002","3085.84","0.14","179.98","0.1","179.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H84 K N4 O6 S2 Sc -","- C51 H84 K N4 O6 S2 Sc -","- C102 H168 K2 N8 O12 S4 Sc2 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0422","0.0365","","","0.0956","0.0986","","","","","","1.063","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133791","10.5193","0.0003","13.478","0.0004","21.8407","0.0006","77.37","0.002","88.284","0.002","83.382","0.002","3001.46","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H84 K N6 O6 Sc -","- C51 H84 K N6 O6 Sc -","- C102 H168 K2 N12 O12 Sc2 -","2","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0459","0.0366","","","0.0911","0.0951","","","","","","1.036","","","","has coordinates,has disorder","246547","2020-10-21","18:00:00",""
"4133792","22.6832","0.0009","22.6832","0.0009","50.192","0.002","90","","90","","120","","22365.3","1.5","100","0.1","100","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C148 H180 Dy15 N31 Na2 O79 -","- C132 H80 Dy15 N24 Na2 O73 -","- C264 H160 Dy30 N48 Na4 O146 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1499","0.135","","","0.427","0.4365","","","","","","1.901","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133793","43.475","0.002","43.475","0.002","43.475","0.002","90","","90","","90","","82171","7","100","0.1","100","0.1","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C141 H133 N3 O53 Y9 -","- C135 H81 O53 Y9 -","- C1080 H648 O424 Y72 -","8","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1121","0.1018","","","0.3707","0.3865","","","","","","1.944","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133794","23.951","0.001","23.951","0.001","32.354","0.002","90","","90","","120","","16073.3","1.4","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C138 H130 N3 O53 Y9 -","- C132 H78 O53 Y9 -","- C264 H156 O106 Y18 -","2","0.166667","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1182","0.0865","","","0.2652","0.3016","","","","","","1.13","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133795","23.7931","0.0003","23.7931","0.0003","32.3652","0.0005","90","","90","","120","","15867.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 63/m","-P 6c","176","","","","- C138 H130 N3 O53 Tb9 -","- C132 H78 O53 Tb9 -","- C264 H156 O106 Tb18 -","2","0.166667","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.1191","0.0922","","","0.2928","0.3184","","","","","","1.312","","","","has coordinates,has disorder","246550","2020-10-21","18:00:00",""
"4133796","22.7138","0.0009","22.7138","0.0009","50.592","0.003","90","","90","","120","","22604.4","1.8","100","0.1","100","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C142 H160 N29 O73 Tb15 -","- C132 H92 N24 O73 Tb15 -","- C264 H184 N48 O146 Tb30 -","2","0.0833333","","Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.","Journal of the American Chemical Society","2019","141","51","20480","20489","10.1021/jacs.9b11260","","","1.54178","CuKα","","0.0939","0.0846","","","0.2713","0.2785","","","","","","1.226","","","","has coordinates","246550","2020-10-21","18:00:00",""
"4133797","10.791","0.0003","20.3109","0.0008","26.9659","0.0009","90","","90","","90","","5910.2","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F O5 -","- C29 H39 F O5 -","- C232 H312 F8 O40 -","8","2","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.1077","0.0771","","","0.2062","0.2259","","","","","","1.032","","","","has coordinates","245280","2020-10-21","18:00:00",""
"4133798","7.145","0.0002","11.7309","0.0003","12.9688","0.0004","91.043","0.003","100.782","0.003","100.374","0.003","1048.85","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","x-ray","1.54184","CuKα","","0.0707","0.0611","","","0.1735","0.1876","","","","","","1.096","","","","has coordinates","245281","2020-10-21","18:00:00",""
"4133799","9.3439","0.0002","11.9039","0.0003","23.5267","0.0006","90","","90","","90","","2616.85","0.11","179.97","0.14","179.97","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O9 -","- C29 H40 O9 -","- C116 H160 O36 -","4","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.046","0.0389","","","0.0983","0.1016","","","","","","1.036","","","","has coordinates","245282","2020-10-21","18:00:00",""
"4133800","8.17331","0.00019","10.2803","0.0002","13.2668","0.0003","90","","96.454","0.002","90","","1107.67","0.04","160","2","160","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O7 -","- C24 H36 O7 -","- C48 H72 O14 -","2","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","x-ray","1.54184","CuKα","","0.0544","0.0526","","","0.1447","0.1472","","","","","","1.078","","","","has coordinates","245284","2020-10-21","18:00:00",""
"4133801","14.4418","0.0001","14.4418","0.0001","40.013","0.0008","90","","90","","90","","8345.33","0.19","180","0.1","180","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H58 F2 O7 Si -","- C44 H58 F2 O7 Si -","- C352 H464 F16 O56 Si8 -","8","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.0884","0.0675","","","0.179","0.1928","","","","","","1.035","","","","has coordinates,has disorder","245285","2020-10-21","18:00:00",""
"4133802","23.4244","0.0003","38.6332","0.0006","35.0018","0.0007","90","","92.023","0.001","90","","31655.5","0.9","93","2","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C256 H182 F30 N52 O37 S10 Zn8 -","- C256 H182 F30 N52 O37 S10 Zn8 -","- C1024 H728 F120 N208 O148 S40 Zn32 -","4","1","","Endo, Kenichi; Ube, Hitoshi; Shionoya, Mitsuhiko","Multi-Stimuli Responsive Interconversion between Bowl- and Capsule-Shaped Self-Assembled Zinc(II) Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11099","","x-ray","1.54184","CuKα","","0.1165","0.0921","","","0.2506","0.2709","","","","","","1.051","","","","has coordinates,has disorder","245286","2020-10-21","18:00:00",""
"4133803","45.6445","0.0004","29.7686","0.0003","41.2098","0.0006","90","","93.5244","0.0011","90","","55888.9","1.1","298.2","","298.2","","","","","","","","","10","C 1 c 1","C -2yc","9","","B12Au12","","- C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71 -","- C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71 -","- C1584.8 H2056 Au44.68 B48 Cl44.6 F233.04 N44.6 O48 P44.6 Sb38.84 -","4","1","","Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M.","An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10770","","x-ray","0.4934","synchrotron","","0.073","0.0561","","","0.1561","0.1717","","","","","","1.053","","","","has coordinates,has disorder","245333","2020-10-21","18:00:00",""
"4133804","10.6995","0.001","15.7093","0.0014","16.1872","0.0014","113.864","0.003","90.52","0.003","109.249","0.003","2316.9","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 B12 I12 O12 -","- C84 H72 B12 I12 O12 -","- C84 H72 B12 I12 O12 -","1","0.5","","Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M.","An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10770","","x-ray","0.71073","MoKα","","0.0462","0.0308","","","0.0593","0.064","","","","","","1.022","","","","has coordinates","245334","2020-10-21","18:00:00",""
"4133805","12.4025","0.0007","8.9323","0.0005","14.1616","0.0008","90","","113.249","0.001","90","","1441.47","0.14","100","2","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C64 H76 N20 -","4","1","","Lehnherr, Dan; Lam, Yu-hong; Nicastri, Michael C.; Liu, Jinchu; Newman, Justin A.; Regalado, Erik L.; DiRocco, Daniel A.; Rovis, Tomislav","Electrochemical Synthesis of Hindered Primary and Secondary Amines via Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10870","","","1.54178","CuKα","","0.0331","0.033","","","0.0833","0.0834","","","","","","1.052","","","","has coordinates","245335","2020-10-21","18:00:00",""
"4133806","8.209","0.0016","10.695","0.002","15.832","0.003","93.56","0.03","102.64","0.03","101.65","0.03","1320.1","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 N O3 S Si -","- C25 H41 N O3 S Si -","- C50 H82 N2 O6 S2 Si2 -","2","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","","0.71073","MoKα","","0.1081","0.089","","","0.245","0.2645","","","","","","1.086","","","","has coordinates","245401","2020-10-21","18:00:00",""
"4133807","11.817","0.002","8.055","0.0016","27.107","0.005","90","","100.49","0.03","90","","2537.1","0.8","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N O3 S Si -","- C24 H39 N O3 S Si -","- C96 H156 N4 O12 S4 Si4 -","4","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","","0.71073","MoKα","","0.0699","0.0497","","","0.1205","0.1308","","","","","","1.099","","","","has coordinates,has disorder","245401","2020-10-21","18:00:00",""
"4133808","14.031","0.003","8.0495","0.0016","23.718","0.005","90","","92.79","0.03","90","","2675.6","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N O3 S Si -","- C27 H37 N O3 S Si -","- C108 H148 N4 O12 S4 Si4 -","4","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","","0.71073","MoKα","","0.0773","0.061","","","0.1634","0.1765","","","","","","1.078","","","","has coordinates","245401","2020-10-21","18:00:00",""
"4133809","8.3949","0.0005","10.5821","0.0006","17.3603","0.0009","93.464","0.005","90.484","0.005","105.891","0.005","1480.07","0.15","113","2","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 F N O3 S Si -","- C30 H42 F N O3 S Si -","- C60 H84 F2 N2 O6 S2 Si2 -","2","1","","Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen","Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11909","","x-ray","0.71073","MoKα","","0.1596","0.1227","","","0.3349","0.3566","","","","","","1.079","","","","has coordinates","245401","2020-10-21","18:00:00",""
"4133810","8.4314","0.0009","10.6619","0.0009","11.7732","0.0012","86.398","0.008","89.55","0.008","83.366","0.008","1049.19","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Co N6 O -","- C21 H20 Cl2 Co N6 O -","- C42 H40 Cl4 Co2 N12 O2 -","2","1","","Queyriaux, Nicolas; Sun, Dongyue; Fize, Jennifer; Pecaut, Jacques; Field, Martin J.; Chavarot-Kerlidou, Murielle; Artero, Vincent","Electrocatalytic Hydrogen Evolution with a Cobalt Complex Bearing Pendant Proton Relays: Acid Strength and Applied Potential Govern Mechanism and Stability.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10407","","","0.71073","MoKα","","0.0528","0.0383","","","0.0758","0.0828","","","","","","1.055","","","","has coordinates","245402","2020-10-21","18:00:00",""
"4133811","9.0627","0.0005","17.182","0.0009","18.6821","0.001","87.768","0.0009","88.6994","0.0008","75.7526","0.0008","2817.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C30.84 H37.31 Au B22 Br12 Cl0.47 F0.77 N2 S -","- C30.84 H37.304 Au B22 Br12 Cl0.464 F0.768 N2 S -","- C61.68 H74.608 Au2 B44 Br24 Cl0.928 F1.536 N4 S2 -","2","1","","Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent","Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10234","","","0.71073","MoKα","","0.0322","0.0265","","","0.0606","0.0626","","","","","","1.039","","","","has coordinates,has disorder","245403","2020-10-21","18:00:00",""
"4133812","29.2447","0.0015","14.0197","0.0007","14.3142","0.0007","90","","93.2313","0.0007","90","","5859.5","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8.36 H31.71 Au B22 Cl2.71 N2 S -","- C8.354 H31.708 Au B22 Cl2.708 N2 S -","- C66.832 H253.664 Au8 B176 Cl21.664 N16 S8 -","8","1","","Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent","Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10234","","","0.71073","MoKα","","0.0375","0.0333","","","0.085","0.0871","","","","","","1.166","","","","has coordinates,has disorder","245404","2020-10-21","18:00:00",""
"4133813","11.165","0.003","15.799","0.005","18.044","0.005","64.599","0.008","82.881","0.007","72.102","0.007","2735.9","1.4","175","","175","","","","","","","","","9","P -1","-P 1","2","","","","- C11 H26 Ag Au B22 Br12 N2 O S -","- C11 H26 Ag Au B22 Br12 N2 O S -","- C22 H52 Ag2 Au2 B44 Br24 N4 O2 S2 -","2","1","","Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent","Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10234","","x-ray","0.71073","MoKα","","0.0728","0.0431","","","0.1014","0.1101","","","","","","1.068","","","","has coordinates","245405","2020-10-21","18:00:00",""
"4133814","22.402","0.004","17.97","0.004","20.744","0.004","90","","106.15","0.03","90","","8021","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H73 B Cl4 Cu4 F4 P6 -","- C92 H73 B Cl4 Cu4 F4 P6 -","- C368 H292 B4 Cl16 Cu16 F16 P24 -","4","0.5","","Olaru, Marian; Rychagova, Elena; Ketkov, Sergey Yu; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.; Yablonskiy, Artem; Andreev, Boris A.; Kleemiss, Florian; Beckmann, Jens; Vogt, Matthias","A Small Cationic Organo-Copper Cluster as Thermally Robust Highly Photo- and Electro Luminescent Material.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10829","","","0.71073","MoKα","","0.0477","0.0469","","","0.1108","0.1111","","","","","","1.18","","","","has coordinates","245455","2020-10-21","18:00:00",""
"4133815","7.8591","0.0005","18.1807","0.0011","10.005","0.0006","90","","91.477","0.002","90","","1429.08","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0293","0.0245","","","0.0604","0.0626","","","","","","1.018","","","","has coordinates","245485","2020-10-21","18:00:00",""
"4133816","8.1537","0.0004","12.3944","0.0006","17.4953","0.0008","90","","102.049","0.001","90","","1729.13","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br2 N -","- C20 H17 Br2 N -","- C80 H68 Br8 N4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0579","0.0441","","","0.1086","0.1146","","","","","","1.058","","","","has coordinates","245486","2020-10-21","18:00:00",""
"4133817","15.838","0.002","4.6056","0.0006","26.637","0.003","90","","99.746","0.003","90","","1915","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.33 H40.67 Br2 N6 O3.17 -","- C44.336 H40.672 Br2 N6 O3.168 -","- C88.672 H81.344 Br4 N12 O6.336 -","2","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0617","0.0467","","","0.0995","0.1079","","","","","","1.102","","","","has coordinates,has disorder","245487","2020-10-21","18:00:00",""
"4133818","15.8837","0.0016","4.6117","0.0005","26.786","0.003","90","","100.216","0.002","90","","1931","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.96 H40.56 Br2 N6.65 O2.65 -","- C43.95 H40.55 Br2 N6.65 O2.65 -","- C87.9 H81.1 Br4 N13.3 O5.3 -","2","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0666","0.047","","","0.0971","0.1051","","","","","","1.045","","","","has coordinates,has disorder","245488","2020-10-21","18:00:00",""
"4133819","12.9146","0.0018","13.928","0.0019","9.4512","0.0013","90","","110.841","0.004","90","","1588.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0761","0.0438","","","0.0984","0.112","","","","","","1.017","","","","has coordinates","245489","2020-10-21","18:00:00",""
"4133820","9.9285","0.0005","12.2758","0.0006","12.537","0.0006","98.954","0.002","90.731","0.002","106.446","0.002","1445.03","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","2","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.043","0.0362","","","0.0893","0.0922","","","","","","1.086","","","","has coordinates,has disorder","245490","2020-10-21","18:00:00",""
"4133821","10.0428","0.0005","12.0048","0.0007","13.6585","0.0008","76.855","0.002","83.018","0.002","79.682","0.002","1571.99","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Cl12 N8 O2 -","- C58 H64 Cl12 N8 O2 -","- C58 H64 Cl12 N8 O2 -","1","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0613","0.046","","","0.1227","0.1319","","","","","","1.033","","","","has coordinates,has disorder","245491","2020-10-21","18:00:00",""
"4133822","35.075","0.002","9.9908","0.0006","8.8263","0.0006","90","","90","","90","","3093","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H34 N4 O -","- C39 H34 N4 O -","- C156 H136 N16 O4 -","4","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0881","0.0639","","","0.1422","0.1524","","","","","","1.125","","","","has coordinates","245492","2020-10-21","18:00:00",""
"4133823","9.4489","0.0011","12.1817","0.0013","12.3451","0.0014","63.821","0.004","76.099","0.005","87.623","0.005","1234.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N8 O4 -","- C56 H68 N8 O4 -","- C56 H68 N8 O4 -","1","0.5","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.0664","0.0419","","","0.0926","0.1026","","","","","","1.026","","","","has coordinates,has disorder","245493","2020-10-21","18:00:00",""
"4133824","13.2794","0.0005","9.6773","0.0004","28.5236","0.0011","90","","93.197","0.002","90","","3659.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N6 O3 S -","- C44 H44 N6 O3 S -","- C176 H176 N24 O12 S4 -","4","1","","Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.","Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11518","","x-ray","0.71073","MoKα","","0.1213","0.0629","","","0.1259","0.1456","","","","","","1.046","","","","has coordinates,has disorder","245494","2020-10-21","18:00:00",""
"4133825","22.539","0.003","40.639","0.005","13.7223","0.0017","90","","96.088","0.005","90","","12498","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 O12 -","- C60 H30 O12 -","- C480 H240 O96 -","8","1","","Zhang, Xu; Li, Libo; Wang, Jia-Xin; Wen, Hui-Min; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Chen, Zhong-Ning; Li, Bin; Qian, Guodong; Chen, Banglin","Selective Ethane/Ethylene Separation in a Robust Microporous Hydrogen-Bonded Organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12428","","","0.71073","MoKα","","0.1799","0.0772","","","0.2123","0.2684","","","","","","1.005","","","","has coordinates","245495","2020-10-21","18:00:00",""
"4133826","6.61682","0.0001","16.7208","0.0002","11.20335","0.00016","90","","107.053","0.0015","90","","1185.02","0.03","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 B N2 O4 -","- C25 H33 B N2 O4 -","- C50 H66 B2 N4 O8 -","2","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0318","0.0305","","","0.0768","0.0782","","","","","","1.047","","","","has coordinates","245524","2020-10-21","18:00:00",""
"4133827","14.3572","0.0002","10.3274","0.0001","17.3961","0.0002","90","","91.62","0.001","90","","2578.33","0.05","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B N O5 -","- C28 H32 B N O5 -","- C112 H128 B4 N4 O20 -","4","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0368","0.0345","","","0.0888","0.0906","","","","","","1.041","","","","has coordinates","245525","2020-10-21","18:00:00",""
"4133828","17.9466","0.0003","8.57729","0.00014","11.94065","0.00018","90","","95.319","0.0015","90","","1830.15","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B N O3 -","- C20 H28 B N O3 -","- C80 H112 B4 N4 O12 -","4","1","","Fiorito, Daniele; Liu, Yangbin; Besnard, Celine; Mazet, Clément","Direct Access to Chiral Secondary Amides by Copper-Catalyzed Borylative Carboxamidation of Vinylarenes with Isocyanates.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12297","","x-ray","1.54184","CuKα","","0.0512","0.0411","","","0.1014","0.1083","","","","","","1.015","","","","has coordinates","245526","2020-10-21","18:00:00",""
"4133829","24.257","0.005","15.144","0.003","10.676","0.002","90","","90","","90","","3921.8","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C80 H Bi4 O32 S24 -","- C80 H16 Bi4 O32 S24 -","- C80 H16 Bi4 O32 S24 -","1","0.125","","García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A","Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10261","","","1.54184","CuKα","","0.0802","0.0761","","","0.2404","0.2441","","","","","","1.181","","","","has coordinates","245527","2020-10-21","18:00:00",""
"4133830","25.5961","0.0019","22.5938","0.0019","17.288","0.002","90","","100.512","0.008","90","","9830.1","1.6","273","2","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C126 H24 Bi6 N2 O51 S36 -","- C126 H24 Bi6 N2 O51 S36 -","- C252 H48 Bi12 N4 O102 S72 -","2","0.5","","García-Sánchez, Alba; Gomez-Mendoza, Miguel; Barawi, Mariam; Villar-Garcia, Ignacio Jose; Liras, Marta; Gándara, Felipe; de la Peña O'Shea, Víctor A","Fundamental Insights in Photoelectrocatalytic Hydrogen Production with a Hole-transport Bismuth Metal-organic Framework.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10261","","","1.54178","CuKα","","0.0758","0.0637","","","0.1917","0.2024","","","","","","1.052","","","","has coordinates,has disorder","245528","2020-10-21","18:00:00",""
"4133831","18.162","0.016","8.278","0.007","13.734","0.013","90","","127.187","0.009","90","","1645","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 N6 Pb3 S6 -","- C6 N6 Pb3 S6 -","- C24 N24 Pb12 S24 -","4","0.5","","Kamakura, Yoshinobu; Chinapang, Pondchanok; Masaoka, Shigeyuki; Saeki, Akinori; Ogasawara, Kazuyoshi; Nishitani, Shigeto R.; Yoshikawa, Hirofumi; Katayama, Tetsuro; Tamai, Naoto; Sugimoto, Kunihisa; Tanaka, Daisuke","Semiconductive Nature of Lead-Based Metal‒Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10436","","","0.71075","MoKα","","0.0285","0.0274","","","0.0658","0.0666","","","","","","1.06","","","","has coordinates","245529","2020-10-21","18:00:00",""
"4133832","18.652","0.003","8.2402","0.0012","13.876","0.002","90","","128.277","0.009","90","","1674.2","0.5","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 N6 O2 Pb3 S6 -","- C6 N6 O2 Pb3 S6 -","- C24 N24 O8 Pb12 S24 -","4","0.5","","Kamakura, Yoshinobu; Chinapang, Pondchanok; Masaoka, Shigeyuki; Saeki, Akinori; Ogasawara, Kazuyoshi; Nishitani, Shigeto R.; Yoshikawa, Hirofumi; Katayama, Tetsuro; Tamai, Naoto; Sugimoto, Kunihisa; Tanaka, Daisuke","Semiconductive Nature of Lead-Based Metal‒Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10436","","","0.4142","Synchrotron","","0.0158","0.0158","","","0.0416","0.0416","","","","","","1.094","","","","has coordinates,has disorder","245529","2020-10-21","18:00:00",""
"4133833","9.9804","0.0003","20.0798","0.0005","12.5191","0.0004","90","","111.909","0.004","90","","2327.69","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Eu N12 O28 Rb -","- C28 H56 Eu N12 O28 Rb -","- C56 H112 Eu2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0436","0.0341","","","0.0675","0.0703","","","","","","0.978","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133834","7.053","0.0001","7.053","0.0001","24.161","0.0015","90","","90","","90","","1201.88","0.08","358","2","358","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 Eu N12 O28 Rb -","- C40 Eu N12 O20 Rb -","- C40 Eu N12 O20 Rb -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0479","0.0422","","","0.0974","0.0995","","","","","","1.198","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133835","9.9723","0.0004","20.0722","0.0007","12.5251","0.0005","90","","111.889","0.005","90","","2326.36","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Eu N12 O28 Rb -","- C28 H56 Eu N12 O28 Rb -","- C56 H112 Eu2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0583","0.0391","","","0.0755","0.082","","","","","","0.979","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133836","9.9791","0.0005","20.0918","0.0008","12.5204","0.0006","90","","111.977","0.006","90","","2327.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N12 O28 Rb Sm -","- C28 H56 N12 O28 Rb Sm -","- C56 H112 N24 O56 Rb2 Sm2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0818","0.0514","","","0.1011","0.1122","","","","","","0.961","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133837","7.0629","0.0002","7.0629","0.0002","24.3073","0.0017","90","","90","","90","","1212.56","0.1","383","2","383","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 N12 O28 Rb Sm -","- C40 N12 O20 Rb Sm -","- C40 N12 O20 Rb Sm -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0736","0.0708","","","0.1624","0.164","","","","","","1.224","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133838","9.9703","0.0003","20.0608","0.0005","12.5179","0.0004","90","","111.886","0.004","90","","2323.28","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N12 O28 Rb Tb -","- C28 H56 N12 O28 Rb Tb -","- C56 H112 N24 O56 Rb2 Tb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.034","0.027","","","0.049","0.0503","","","","","","1.025","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133839","9.9892","0.0003","9.9304","0.0003","24.261","0.0009","90","","90","","90","","2406.61","0.14","363","2","363","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 N12 O28 Rb Tb -","- C30 N8 O22 Rb Tb -","- C60 N16 O44 Rb2 Tb2 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0659","0.0563","","","0.1311","0.1377","","","","","","0.979","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133840","9.9623","0.0003","20.0585","0.0005","12.5073","0.0004","90","","111.841","0.004","90","","2319.92","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Dy N12 O28 Rb -","- C28 H56 Dy N12 O28 Rb -","- C56 H112 Dy2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0368","0.0291","","","0.0622","0.0646","","","","","","0.876","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133841","9.9498","0.0007","9.8982","0.0007","24.245","0.003","90","","90","","90","","2387.8","0.4","363","2","363","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 Dy N12 O28 Rb -","- C30 Dy N8 O22 Rb -","- C60 Dy2 N16 O44 Rb2 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0916","0.0713","","","0.1773","0.1896","","","","","","1.007","","","","has coordinates","245530","2020-10-21","18:00:00",""
"4133842","9.79844","0.00018","9.81368","0.00018","13.7967","0.0003","91.6924","0.0015","108.711","0.0017","90.5772","0.0015","1255.74","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Ce0.5 K0.5 N12 O12 -","- C14 H34 Ce0.5 K0.5 N12 O12 -","- C28 H68 Ce K N24 O24 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.044","0.0426","","","0.0893","0.09","","","","","","1.038","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133843","10.1944","0.0003","10.0003","0.0003","22.7549","0.0005","90","","91.693","0.002","90","","2318.78","0.11","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H56 Cs N12 O24 Sm -","- C28 H56 Cs N12 O24 Sm -","- C56 H112 Cs2 N24 O48 Sm2 -","2","0.5","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.054","0.039","","","0.1138","0.1215","","","","","","1.114","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133844","9.94644","0.00016","19.9635","0.0003","12.64102","0.00019","90","","111.967","0.0017","90","","2327.84","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce K N12 O28 -","- C28 H56 Ce K0.984 N12 O28 -","- C56 H112 Ce2 K1.968 N24 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0252","0.0234","","","0.0577","0.0586","","","","","","1","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133845","9.9293","0.0003","9.8697","0.0003","24.3702","0.0009","90","","90","","90","","2388.26","0.14","343","2","343","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 Ce K N12 O28 -","- C30 Ce K N8 O22 -","- C60 Ce2 K2 N16 O44 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0568","0.055","","","0.1343","0.1355","","","","","","1.243","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133846","9.9379","0.0004","19.9511","0.0006","12.6211","0.0005","90","","111.947","0.004","90","","2321.06","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce K N12 O28 -","- C28 H56 Ce K N12 O28 -","- C56 H112 Ce2 K2 N24 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0475","0.0354","","","0.0596","0.0629","","","","","","0.964","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133847","9.9301","0.0003","9.8678","0.0003","24.3846","0.0008","90","","90","","90","","2389.4","0.13","343","2","343","2","","","","","","","","6","B 2 2 2","B 2 2","21","","","","- C24 H56 Ce K N12 O28 -","- C30 Ce K N8 O22 -","- C60 Ce2 K2 N16 O44 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0573","0.0541","","","0.1367","0.1397","","","","","","0.981","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133848","9.9132","0.0004","24.2676","0.0009","9.8306","0.0003","90","","90","","90","","2364.94","0.15","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C28 H56 Ce K N12 O28 -","- C34 Ce K N8 O24 -","- C68 Ce2 K2 N16 O48 -","2","0.125","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0541","0.0521","","","0.1329","0.1344","","","","","","1.087","","","","has coordinates,has disorder","245531","2020-10-21","18:00:00",""
"4133849","10.0274","0.0004","20.2215","0.0006","12.582","0.0005","90","","112.187","0.005","90","","2362.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H60 Ce N13 O28 -","- C28 H60 Ce N13 O28 -","- C56 H120 Ce2 N26 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.1436","0.1327","","","0.3306","0.3374","","","","","","1.358","","","","has coordinates","245531","2020-10-21","18:00:00",""
"4133850","10.0737","0.0003","9.993","0.0003","24.153","0.0008","90","","90","","90","","2431.4","0.13","353","2","353","2","","","","","","","","5","B 2 2 2","B 2 2","21","","","","- C24 H56 Ce N13 O28 -","- C30 Ce N9 O22 -","- C60 Ce2 N18 O44 -","2","0.25","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0523","0.0507","","","0.1184","0.1199","","","","","","1.069","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133851","10.0131","0.0005","20.1738","0.001","12.5475","0.0007","90","","112.146","0.006","90","","2347.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H60 Ce N13 O28 -","- C28 H60 Ce N13 O28 -","- C56 H120 Ce2 N26 O56 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0754","0.0469","","","0.1371","0.1685","","","","","","0.614","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133852","10.0505","0.0002","23.9473","0.0004","9.9458","0.0002","90","","90","","90","","2393.78","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C28 H60 Ce N13 O28 -","- C34 Ce N9 O24 -","- C68 Ce2 N18 O48 -","2","0.125","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0413","0.041","","","0.0982","0.0984","","","","","","1.129","","","","has coordinates,has disorder","245532","2020-10-21","18:00:00",""
"4133853","10.007","0.0002","20.1662","0.0004","12.5708","0.0003","90","","112.089","0.003","90","","2350.63","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0317","0.0262","","","0.0552","0.0567","","","","","","0.892","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133854","10.0193","0.0005","20.1871","0.0007","12.6227","0.0006","90","","112.07","0.005","90","","2366","0.2","335","2","335","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0733","0.0428","","","0.0825","0.0927","","","","","","1.028","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133855","7.0884","0.0002","7.0884","0.0002","24.3105","0.0017","90","","90","","90","","1221.49","0.1","380","2","380","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C28 H52 Ce N12 O28 Rb -","- C40 Ce N12 O20 Rb -","- C40 Ce N12 O20 Rb -","1","0.0625","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0622","0.0506","","","0.11","0.1139","","","","","","1.034","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133856","10.0092","0.0003","20.1665","0.0005","12.5743","0.0003","90","","112.069","0.003","90","","2352.17","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Ce N12 O28 Rb -","- C28 H56 Ce N12 O28 Rb -","- C56 H112 Ce2 N24 O56 Rb2 -","2","1","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.0393","0.0298","","","0.0596","0.0621","","","","","","0.97","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133857","9.9845","0.0002","10.06085","0.00019","12.8014","0.0002","67.8066","0.0018","88.7764","0.0016","89.675","0.0016","1190.39","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Ce N12 O28 Rb -","- C28 H46 Ce N12 O28 Rb -","- C28 H46 Ce N12 O28 Rb -","1","0.5","","Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11697","","","0.71073","MoKα","","0.046","0.0403","","","0.1043","0.1095","","","","","","1.037","","","","has coordinates","245532","2020-10-21","18:00:00",""
"4133858","11.1341","0.0008","11.4202","0.0008","17.6484","0.0013","98.088","0.002","107.59","0.002","101.597","0.002","2046.1","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","Ph2-Me2-PQPL+","","- C53 H35 Cl F3 N2 O3 S -","- C53 H35 Cl F3 N2 O3 S -","- C106 H70 Cl2 F6 N4 O6 S2 -","2","1","","Imran, Muhammad; Wehrmann, Caleb M.; Chen, Mark S.","Open-Shell Effects on Optoelectronic Properties: Antiambipolar Charge Transport and Anti-Kasha Doublet Emission from a <i>N</i>-substituted Bisphenalenyl.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10677","","x-ray","0.71073","MoKα","","0.1064","0.0794","","","0.217","0.2366","","","","","","1.036","","","","has coordinates,has disorder","245556","2020-10-21","18:00:00",""
"4133859","31.1274","0.0004","9.5504","0.0001","25.3582","0.0003","90","","99.34","0.001","90","","7438.52","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.57 H29.71 B1.14 F22.86 N1.14 Si1.14 -","- C44.5714 H29.7143 B1.14286 F22.8571 N1.14286 Si1.14286 -","- C312 H208 B8 F160 N8 Si8 -","7","0.875","","Fernandes, Anthony Julien; Laye, Claire; Pramanik, Suman; Palmeira, Dayvson; Ömür Pekel, Özgen; Massip, Stéphane; Schmidtmann, Marc; Müller, Thomas; Robert, Frédéric; Landais, Yannick","Chiral Memory in Silyl-Pyridinium and Quinolinium Cations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11704","","","1.54184","CuKα","","0.0768","0.076","","","0.2066","0.2072","","","","","","1.055","","","","has coordinates","245557","2020-10-21","18:00:00",""
"4133860","5.0321","0.0001","18.5414","0.0004","11.6101","0.0002","90","","94.44","0.002","90","","1080","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C44 H64 N4 O10 -","2","1","","Fanelli, Rossana; Berta, Dénes; Földes, Tamás; Rosta, Edina; Atkinson, Robert Andrew; Hofmann, Hans-Jörg; Shankland, Kenneth; Cobb, Alexander J. A.","Organocatalytic Access to a <i>cis</i>-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10861","","x-ray","1.54184","CuKα","","0.0383","0.0343","","","0.0828","0.0848","","","","","","1.068","","","","has coordinates","245558","2020-10-21","18:00:00",""
"4133861","6.4204","0.0002","11.9299","0.0004","11.1764","0.0004","90","","95.772","0.003","90","","851.71","0.05","153","5","153","5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O6 -","- C17 H25 N O6 -","- C34 H50 N2 O12 -","2","1","","Fanelli, Rossana; Berta, Dénes; Földes, Tamás; Rosta, Edina; Atkinson, Robert Andrew; Hofmann, Hans-Jörg; Shankland, Kenneth; Cobb, Alexander J. A.","Organocatalytic Access to a <i>cis</i>-Cyclopentyl-γ-amino Acid: An Intriguing Model of Selectivity and Formation of a Stable 10/12-Helix from the Corresponding γ/α-Peptide.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10861","","x-ray","1.54184","CuKα","","0.031","0.0292","","","0.0719","0.0737","","","","","","1.097","","","","has coordinates","245559","2020-10-21","18:00:00",""
"4133862","11.77657","0.00019","14.5949","0.0003","23.1173","0.0005","90","","91.2943","0.0017","90","","3972.34","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H69 O Si2 U -","- C40 H69 O Si2 U -","- C160 H276 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Maron, Laurent; Kilpatrick, Alexander F. R.; Layfield, Richard A.; Cloke, F Geoffrey N","Ethene Activation and Catalytic Hydrogenation by a Low-Valent Uranium Pentalene Complex.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11929","","x-ray","1.54184","CuKα","","0.1066","0.0678","","","0.1598","0.1767","","","","","","1.016","","","","has coordinates","245560","2020-10-21","18:00:00",""
"4133863","14.3554","0.0002","21.7474","0.0003","26.1966","0.0003","90","","102.41","0.001","90","","7987.3","0.18","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H126 Si4 U2 -","- C74 H126 Si4 U2 -","- C296 H504 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Maron, Laurent; Kilpatrick, Alexander F. R.; Layfield, Richard A.; Cloke, F Geoffrey N","Ethene Activation and Catalytic Hydrogenation by a Low-Valent Uranium Pentalene Complex.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11929","","","1.54184","CuKα","","0.033","0.0261","","","0.06","0.0617","","","","","","1.031","","","","has coordinates","245560","2020-10-21","18:00:00",""
"4133864","9.3674","0.0005","14.1728","0.0007","15.4346","0.0009","102.3","0.003","103.122","0.003","107.338","0.003","1816.05","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cl12 N6 O12 -","- C72 H68 Cl12 N6 O12 -","- C72 H68 Cl12 N6 O12 -","1","0.5","","Yin, Jingwei; Khalilov, Ali N.; Muthupandi, Pandi; Ladd, Ruby; Birman, Vladimir B.","Phenazine-1,6-dicarboxamides: redox-responsive molecular switches.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11160","","","1.54178","CuKα","","0.1103","0.0904","","","0.2172","0.2348","","","","","","1.085","","","","has coordinates,has disorder","246202","2020-10-21","18:00:00",""
"4133865","10.464","0.002","15.367","0.003","26.131","0.006","73.79","0.004","88.028","0.004","72.853","0.004","3850.2","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H69 Cl4 N12 O19 -","- C80 H69 Cl4 N12 O19 -","- C160 H138 Cl8 N24 O38 -","2","1","","Wang, Zhen; He, Xuewen; Yong, Tuying; Miao, Yu; Zhang, Chun; Zhong Tang, Ben","Multicolor Tunable Polymeric Nanoparticle from the Tetraphenylethylene Cage for Temperature Sensing in Living Cells.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11544","","","0.71073","MoKα","","0.207","0.1077","","","0.2869","0.3755","","","","","","1.089","","","","has coordinates","246268","2020-10-21","18:00:00",""
"4133866","8.8952","0.0003","11.4019","0.0004","20.569","0.0007","84.5548","0.0012","89.4723","0.0012","67.0952","0.0012","1912.12","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 Cl16 N2 Sb2 -","- C66 H88 Cl16 N2 Sb2 -","- C66 H88 Cl16 N2 Sb2 -","1","0.5","","Ji, Xiaozhou; Xie, Haomiao; Zhu, Congzhi; Zou, Yang; Mu, Anthony U.; Al-Hashimi, Mohammed; Dunbar, Kim R.; Fang, Lei","Pauli Paramagnetism of Stable Analogues of Pernigraniline Salt Featuring Ladder-Type Constitution.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12626","","","1.54178","CuKα","","0.0436","0.0403","","","0.096","0.0987","","","","","","1.095","","","","has coordinates,has disorder","246269","2020-10-21","18:00:00",""
"4133867","20.9363","0.0013","10.6422","0.0007","11.1562","0.0007","90","","98.087","0.002","90","","2461","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N2 -","- C62 H78 N2 -","- C124 H156 N4 -","2","0.5","","Ji, Xiaozhou; Xie, Haomiao; Zhu, Congzhi; Zou, Yang; Mu, Anthony U.; Al-Hashimi, Mohammed; Dunbar, Kim R.; Fang, Lei","Pauli Paramagnetism of Stable Analogues of Pernigraniline Salt Featuring Ladder-Type Constitution.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12626","","","0.71073","MoKα","","0.0826","0.0691","","","0.1573","0.1689","","","","","","1.141","","","","has coordinates","246270","2020-10-21","18:00:00",""
"4133868","5.7221","0.0005","5.7221","0.0005","45.787","0.006","90","","90","","90","","1499.2","0.3","420","2","420","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H35.2 Cl10 N4 Pb3 -","- C16 H70.4 Cl20 N8 Pb6 -","2","0.0625","","Wang, Sasa; Li, Lina; Weng, Wen; Ji, Chengmin; Liu, Xitao; Sun, Zhihua; Lin, Wenxiong; Hong, Maochun; Luo, Junhua","Trilayered Lead Chloride Perovskite Ferroelectric Affording Self-Powered Visible-Blind Ultraviolet Photodetection with Large Zero-Bias Photocurrent.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10919","","","0.71073","MoKα","","0.0593","0.0421","","","0.1338","0.1697","","","","","","1.322","","","","has coordinates","246271","2020-10-21","18:00:00",""
"4133869","45.5393","0.0019","8.1051","0.0003","8.0343","0.0002","90","","90","","90","","2965.46","0.18","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H32 Cl10 N4 Pb3 -","- C32 H128 Cl40 N16 Pb12 -","4","0.5","","Wang, Sasa; Li, Lina; Weng, Wen; Ji, Chengmin; Liu, Xitao; Sun, Zhihua; Lin, Wenxiong; Hong, Maochun; Luo, Junhua","Trilayered Lead Chloride Perovskite Ferroelectric Affording Self-Powered Visible-Blind Ultraviolet Photodetection with Large Zero-Bias Photocurrent.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10919","","","0.71073","MoKα","","0.0445","0.0375","","","0.0937","0.0991","","","","","","1.031","","","","has coordinates","246272","2020-10-21","18:00:00",""
"4133870","3.471","","19.3414","0.0006","20.4117","0.0008","68.91","0.003","85.125","0.002","84.854","0.002","1271.33","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C6 H7 Ag2 N9 O3 -","- C6 H7 Ag2 N9 O3 -","- C24 H28 Ag8 N36 O12 -","4","4","","Meng, Peng; Brock, Aidan; Xu, Yanan; Han, Chenhui; Chen, Su; Yan, Cheng; McMurtrie, John; Xu, Jingsan","Crystal Transformation from the Incorporation of Coordinate Bonds into a Hydrogen-Bonded Network Yields Robust Free-Standing Supramolecular Membranes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11336","","","0.7108","Synchrotron","","0.1029","0.0935","","","0.2542","0.2718","","","","","","1.166","","","","has coordinates","246273","2020-10-21","18:00:00",""
"4133871","11.238","","11.741","","18.649","","90","","90","","90","","2460.65","","100","2","100.04","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O3 -","- C28 H42 O3 -","- C112 H168 O12 -","4","1","","Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp","Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12899","","","0.71073","MoKα","","0.0563","0.0537","","","0.1233","0.1244","","","","","","1.14","","","","has coordinates","246274","2020-10-21","18:00:00",""
"4133872","9.8801","0.0014","11.6963","0.0017","11.5219","0.0017","90","","104.747","0.005","90","","1287.6","0.3","","","99.96","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 I O2 -","- C28 H41 I O2 -","- C56 H82 I2 O4 -","2","1","","Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp","Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12899","","","0.71073","MoKα","","0.0277","0.0226","","","0.0463","0.0485","","","","","","1.0496","","","","has coordinates","246275","2020-10-21","18:00:00",""
"4133873","34.7781","0.0017","9.8274","0.0005","16.9245","0.0008","90","","104.069","0.0012","90","","5610.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co F6 N6 O6 S2 -","- C20 H30 Co F6 N6 O6 S2 -","- C160 H240 Co8 F48 N48 O48 S16 -","8","2","","Fernández, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio","A Unified Electro- and Photocatalytic CO<sub>2</sub> to CO Reduction Mechanism with Aminopyridine Cobalt Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06633","","","0.71073","MoKα","","0.065","0.0511","","","0.1456","0.1548","","","","","","1.021","","","","has coordinates,has disorder","246276","2020-10-21","18:00:00",""
"4133874","8.0791","0.0003","9.2458","0.0004","12.7757","0.0005","90","","92.4726","0.0014","90","","953.43","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H46.9 Co2 F12 N8 O6 P2 -","- C30 H46.9 Co2 F12 N8 O6 P2 -","- C30 H46.9 Co2 F12 N8 O6 P2 -","1","0.5","","Fernández, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio","A Unified Electro- and Photocatalytic CO<sub>2</sub> to CO Reduction Mechanism with Aminopyridine Cobalt Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b06633","","","0.71073","MoKα","","0.0568","0.0383","","","0.0863","0.0941","","","","","","1.058","","","","has coordinates,has disorder","246277","2020-10-21","18:00:00",""
"4133875","14.6681","0.0009","15.558","0.001","19.0036","0.0012","90","","99.766","0.002","90","","4273.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 Cl2 Co N4 O5 P -","- C47 H48 Cl2 Co N4 O5 P -","- C188 H192 Cl8 Co4 N16 O20 P4 -","4","1","","van Leest, Nicolaas P.; Tepaske, Martijn A.; Oudsen, Jean-Pierre H; Venderbosch, Bas; Rietdijk, Niels R.; Siegler, Maxime A.; Tromp, Moniek; van der Vlugt, Jarl Ivar; de Bruin, Bas","Ligand Redox Non-Innocence in [Co<sup>III</sup>(TAML)]<sup>0/‒</sup> Complexes Affects Nitrene Formation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11715","","","0.71073","MoKα","","0.073","0.0394","","","0.113","0.1395","","","","","","0.965","","","","has coordinates","246311","2020-10-21","18:00:00",""
"4133876","21.4066","0.0019","43.288","0.003","10.1268","0.0007","90","","90","","90","","9384","1.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","ligand hexane-THF","","","- C19 H24 Cl2 N4 O4 -","- C19 H24 Cl2 N4 O4 -","- C304 H384 Cl32 N64 O64 -","16","1","","van Leest, Nicolaas P.; Tepaske, Martijn A.; Oudsen, Jean-Pierre H; Venderbosch, Bas; Rietdijk, Niels R.; Siegler, Maxime A.; Tromp, Moniek; van der Vlugt, Jarl Ivar; de Bruin, Bas","Ligand Redox Non-Innocence in [Co<sup>III</sup>(TAML)]<sup>0/‒</sup> Complexes Affects Nitrene Formation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11715","","","0.71073","MoKα","","0.0237","0.0227","","","0.0595","0.0602","","","","","","1.031","","","","has coordinates","246312","2020-10-21","18:00:00",""
"4133877","15.304","0.003","13.575","0.003","20.004","0.004","90","","95.89","0.03","90","","4133.9","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Au N2 -","- C53 H55 Au N2 -","- C212 H220 Au4 N8 -","4","1","","Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11587","","","0.82653","synchrotron","","0.05","0.0495","","","0.1403","0.141","","","","","","1.079","","","","has coordinates","246313","2020-10-21","18:00:00",""
"4133878","21.975","0.004","22.822","0.005","50.375","0.01","90","","90","","90","","25264","9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H55 Au N2 -","- C53 H55 Au N2 -","- C1272 H1320 Au24 N48 -","24","3","","Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11587","","","0.82653","synchrotron","","0.0549","0.044","","","0.1133","0.1209","","","","","","1.044","","","","has coordinates,has disorder","246314","2020-10-21","18:00:00",""
"4133879","19.0957","0.0003","18.7627","0.0003","20.0038","0.0003","90","","90","","90","","7167.1","0.19","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H132 N2 O19 V6 -","- C56 H132 N2 O19 V6 -","- C224 H528 N8 O76 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0404","0.0352","","","0.0931","0.0961","","","","","","1.076","","","","has coordinates","246332","2020-10-21","18:00:00",""
"4133880","20.922","0.0004","11.5781","0.0001","23.8929","0.0004","90","","122.394","0.003","90","","4887.1","0.2","100","0.4","100","0.4","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H80 Cl N O18 V6 -","- C32 H80 Cl N O18 V6 -","- C128 H320 Cl4 N4 O72 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0463","0.0436","","","0.1224","0.1249","","","","","","1.057","","","","has coordinates,has disorder","246333","2020-10-21","18:00:00",""
"4133881","13.171","0.0004","11.3315","0.0004","12.6496","0.0004","90","","90","","90","","1887.92","0.11","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H26 Co F6 P -","- C18 H26 Co F6 P -","- C72 H104 Co4 F24 P4 -","4","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.072","0.0737","","","","","","1.271","","","","has coordinates","246334","2020-10-21","18:00:00",""
"4133882","11.6313","0.0004","9.8968","0.0004","8.6586","0.0003","90","","105.259","0.002","90","","961.58","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H26 Co F6 P -","- C18 H26 Co F6 P -","- C36 H52 Co2 F12 P2 -","2","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0253","0.0228","","","0.0586","0.0603","","","","","","1.086","","","","has coordinates","246335","2020-10-21","18:00:00",""
"4133883","10.8185","0.0003","10.8185","0.0003","6.6735","0.0002","90","","90","","90","","781.07","0.04","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H18 Co F6 P -","- C14 H18 Co F6 P -","- C28 H36 Co2 F12 P2 -","2","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0211","0.0197","","","0.0495","0.0502","","","","","","1.142","","","","has coordinates,has disorder","246336","2020-10-21","18:00:00",""
"4133884","10.1801","0.0005","25.8207","0.0013","11.3019","0.0006","90","","112.92","0.002","90","","2736.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Co F6 P -","- C26 H42 Co F5.994 P0.999 -","- C104 H168 Co4 F23.976 P3.996 -","4","1","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0521","0.0422","","","0.0936","0.0974","","","","","","1.077","","","","has coordinates,has disorder","246337","2020-10-21","18:00:00",""
"4133885","13.2837","0.0017","9.1759","0.0012","9.252","0.0012","90","","96.293","0.003","90","","1120.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Co F6 P -","- C10 H10 Co F6 P -","- C40 H40 Co4 F24 P4 -","4","1","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.057","0.0368","","","0.0738","0.0806","","","","","","1.075","","","","has coordinates,has disorder","246338","2020-10-21","18:00:00",""
"4133886","6.5974","0.0002","15.3006","0.0005","16.726","0.0006","90","","90","","90","","1688.39","0.1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H22 Co F6 P -","- C16 H22 Co F6 P -","- C64 H88 Co4 F24 P4 -","4","0.5","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0345","0.0332","","","0.0824","0.083","","","","","","1.204","","","","has coordinates","246339","2020-10-21","18:00:00",""
"4133887","5.3541","0.0002","20.7114","0.001","23.3149","0.001","90","","90.828","0.004","90","","2585.14","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 -","- C36 H22 Br2 -","- C144 H88 Br8 -","4","1","","Fan, Qitang; Martin-Jimenez, Daniel; Werner, Simon; Ebeling, Daniel; Koehler, Tabea; Vollgraff, Tobias; Sundermeyer, Jörg; Hieringer, Wolfgang; Schirmeisen, Andre; Gottfried, J. Michael","On-Surface Synthesis and Characterization of a Cycloarene: C108 Graphene Ring.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10151","","","1.54178","CuKα","","0.099","0.0646","","","0.1717","0.1961","","","","","","1.038","","","","has coordinates,has disorder","246340","2020-10-21","18:00:00",""
"4133888","8.0507","0.0003","8.0718","0.0003","18.7029","0.0008","90","","97.229","0.004","90","","1205.72","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Br3 N Pb S -","- C5 H12 Br3 N Pb S -","- C20 H48 Br12 N4 Pb4 S4 -","4","1","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.0658","0.048","","","0.0719","0.0773","","","","","","1.028","","","","has coordinates","246341","2020-10-21","18:00:00",""
"4133889","26.972","0.005","8.9027","0.0018","7.9566","0.0016","90","","90","","90","","1910.6","0.6","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Br4 N2 O2 Pb -","- C10 H24 Br4 N2 O2 Pb -","- C40 H96 Br16 N8 O8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.0376","0.0344","","","0.0612","0.062","","","","","","1.068","","","","has coordinates","246342","2020-10-21","18:00:00",""
"4133890","26.89","0.003","8.8834","0.0009","8.0708","0.0008","90","","90","","90","","1927.9","0.3","443","2","443","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Br4 N2 O2 Pb -","- C10 H24 Br4 N2 O2 Pb -","- C40 H96 Br16 N8 O8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.1371","0.0857","","","0.2159","0.3528","","","","","","1.185","","","","has coordinates","246343","2020-10-21","18:00:00",""
"4133891","22.007","0.002","24.624","0.003","28.245","0.003","87.06","0.003","89.023","0.003","83.801","0.003","15195","3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C220 H330 Au40 S22 -","- C220 H330 Au40 S22 -","- C440 H660 Au80 S44 -","2","1","","Zhao, Yan; Zhuang, Shengli; Liao, Lingwen; Wang, Chengming; Xia, Nan; Gan, Zibao; Gu, Wanmiao; Li, Jin; Deng, Haiteng; Wu, Zhikun","A Dual Purpose Strategy to Endow Gold Nanoclusters with Both Catalysis Activity and Water Solubility.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11017","","","0.71073","MoKα","","0.1404","0.1119","","","0.2926","0.317","","","","","","1.058","","","","has coordinates","246436","2020-10-21","18:00:00",""
"4133892","12.8317","0.0004","36.498","0.0009","16.7295","0.0005","90","","105.66","0.003","90","","7544.1","0.4","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 B Dy F13 N11 P S2 -","- C49 H35 B Dy F13 N11 P S2 -","- C196 H140 B4 Dy4 F52 N44 P4 S8 -","4","1","","Hojorat, Maher; Al Sabea, Hassan; Norel, Lucie; Bernot, Kevin; Roisnel, Thierry; Gendron, Frederic; Le Guennic, Boris; Trzop, Elzbieta; Collet, Eric; Long, Jeffrey R.; Rigaut, Stéphane","Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10584","","x-ray","0.71073","MoKα","","0.1294","0.0661","","","0.1591","0.1953","","","","","","0.993","","","","has coordinates,has disorder","246437","2020-10-21","18:00:00",""
"4133893","13.0292","0.0004","36.0119","0.0009","16.3147","0.0013","90","","103.744","0.005","90","","7435.8","0.7","300","1","300","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 B Dy F13 N11 P S2 -","- C49 H35 B Dy F13 N11 P S2 -","- C196 H140 B4 Dy4 F52 N44 P4 S8 -","4","1","","Hojorat, Maher; Al Sabea, Hassan; Norel, Lucie; Bernot, Kevin; Roisnel, Thierry; Gendron, Frederic; Le Guennic, Boris; Trzop, Elzbieta; Collet, Eric; Long, Jeffrey R.; Rigaut, Stéphane","Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10584","","x-ray","0.71073","MoKα","","0.1265","0.062","","","0.1385","0.1708","","","","","","0.971","","","","has coordinates,has disorder","246438","2020-10-21","18:00:00",""
"4133894","12.2884","0.0004","12.8082","0.0004","8.066","0.0003","90","","106.568","0.004","90","","1216.82","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","1","","Cao, Wenxia; Dai, Fengying; Hu, Rongrong; Tang, Ben Zhong","Economic Sulfur Conversion to Functional Polythioamides Through Catalyst-free Multicomponent Polymerizations of Sulfur, Acids, and Amines.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11066","","x-ray","1.54184","CuKα","","0.0507","0.0433","","","0.116","0.1208","","","","","","1.039","","","","has coordinates","246439","2020-10-21","18:00:00",""
"4133895","9.1845","0.0002","11.3146","0.0002","12.5358","0.0003","90","","90","","90","","1302.71","0.05","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Yee, Danielle A.; Kakule, Thomas B.; Cheng, Wei; Chen, Mengbin; Chong, Christine T. Y.; Hai, Yang; Hang, Leibniz F.; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C.; Song, Yongxiang; Tang, ManCheng; Zhang, Zhuan; Tang, Yi","Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b13046","","","1.54178","CuKα","","0.0297","0.0291","","","0.0743","0.0748","","","","","","1.051","","","","has coordinates","246482","2020-10-21","18:00:00",""
"4133896","19.216","0.0005","14.5222","0.0003","38.5485","0.0009","90","","102.952","0.002","90","","10483.6","0.4","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C120 H261 Ag2 Cl8 N7 O68 Si2 W18 -","- C120 H261 Ag2 Cl8 N7 O68 Si2 W18 -","- C240 H522 Ag4 Cl16 N14 O136 Si4 W36 -","2","0.5","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","","0.71073","MoKα","","0.1305","0.0894","","","0.2045","0.2241","","","","","","1.065","","","","has coordinates,has disorder","246493","2020-10-21","18:00:00",""
"4133897","40.0068","0.0006","16.6856","0.0002","29.7859","0.0005","90","","100.207","0.0016","90","","19568.6","0.5","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H268 Ag6 Cl8 N7 O68 Si2 W18 -","- C120 H268 Ag6 Cl8 N7 O68 Si2 W18 -","- C480 H1072 Ag24 Cl32 N28 O272 Si8 W72 -","4","0.5","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","x-ray","0.71073","MoKα","","0.0627","0.0446","","","0.0957","0.103","","","","","","1.034","","","","has coordinates","246493","2020-10-21","18:00:00",""
"4133898","27.7691","0.0002","33.0762","0.0002","35.0235","0.0002","83.5033","0.0005","68.9814","0.0006","69.762","0.0006","28172.5","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H328 Ag29 N14 O236 Si6 W54 -","- C148 H328 Ag29 N14 O236 Si6 W54 -","- C296 H656 Ag58 N28 O472 Si12 W108 -","2","1","","Yonesato, Kentaro; Ito, Hiroyasu; Itakura, Hiroyuki; Yokogawa, Daisuke; Kikuchi, Takashi; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates.","Journal of the American Chemical Society","2019","141","50","19550","19554","10.1021/jacs.9b10569","","x-ray","0.71073","MoKα","","0.1084","0.0622","","","0.1449","0.1734","","","","","","1.012","","","","has coordinates,has disorder","246493","2020-10-21","18:00:00",""
"4133899","13.249","0.003","22.895","0.005","23.084","0.005","90","","96.9","0.03","90","","6951","3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H101 B3 Li N7 O Si -","- C71 H101 B3 Li N7 O Si -","- C284 H404 B12 Li4 N28 O4 Si4 -","4","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.0991","0.0794","","","0.1922","0.2063","","","","","","1.081","","","","has coordinates","246494","2020-10-21","18:00:00",""
"4133900","13.644","0.003","17.783","0.004","18.523","0.004","76.41","0.03","80","0.03","69.32","0.03","4066.6","1.8","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C87 H122 B3 Li N8 O Si -","- C87 H122 B3 Li N8 O Si -","- C174 H244 B6 Li2 N16 O2 Si2 -","2","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.0926","0.0692","","","0.182","0.208","","","","","","1.104","","","","has coordinates","246496","2020-10-21","18:00:00",""
"4133901","12.469","0.003","23.666","0.005","21.59","0.004","90","","100.59","0.03","90","","6263","2","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H91 B3 Li N7 Si -","- C65 H91 B3 Li N7 Si -","- C260 H364 B12 Li4 N28 Si4 -","4","1","","Zhu, Lizhao; Zhang, Jianying; Yang, Hao; Cui, Chunming","Synthesis of Silaketenimine Anion and Its Coupling with Isocyanide.","Journal of the American Chemical Society","2019","141","50","19600","19604","10.1021/jacs.9b11913","","","0.71073","MoKα","","0.1256","0.0885","","","0.2173","0.2411","","","","","","1.057","","","","has coordinates","246497","2020-10-21","18:00:00",""
"4133902","24.1829","0.0008","11.061","0.0003","24.7085","0.0008","90","","112.408","0.002","90","","6110.2","0.3","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C54.5 H74.5 B Cu F3 N2 O3 Si -","- C54.503 H74.506 B Cu F3 N2 O3 Si -","- C218.012 H298.024 B4 Cu4 F12 N8 O12 Si4 -","4","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0704","0.0643","","","0.1762","0.1825","","","","","","1.067","","","","has coordinates,has disorder","246498","2020-10-21","18:00:00",""
"4133903","6.6591","0.0003","7.0377","0.0003","41.661","0.0016","90","","90","","90","","1952.43","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F2 N O4 Si -","- C19 H19 F2 N O4 Si -","- C76 H76 F8 N4 O16 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0422","0.0388","","","0.1","0.1025","","","","","","1.047","","","","has coordinates","246499","2020-10-21","18:00:00",""
"4133904","8.414","0.0004","8.8842","0.0004","11.9257","0.0006","102.293","0.0018","95.7488","0.0019","104.356","0.0019","832.74","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 B F2 O2 -","- C17 H23 B F2 O2 -","- C34 H46 B2 F4 O4 -","2","2","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.056","0.0556","","","0.1379","0.1384","","","","","","1.065","","","","has coordinates","246501","2020-10-21","18:00:00",""
"4133905","16.603","0.0006","13.7487","0.0004","16.9259","0.0006","90","","110.253","0.002","90","","3624.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cu F3 N3 Si -","- C39 H43 Cu F3 N3 Si -","- C156 H172 Cu4 F12 N12 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0574","0.0555","","","0.1252","0.1261","","","","","","1.231","","","","has coordinates,has disorder","246502","2020-10-21","18:00:00",""
"4133906","17.8697","0.0006","16.4289","0.0005","16.6878","0.0005","90","","103.514","0.002","90","","4763.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H67 Cu F3 N2 O Si -","- C50 H67 Cu F3 N2 O Si -","- C200 H268 Cu4 F12 N8 O4 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0519","0.0473","","","0.1262","0.1303","","","","","","1.03","","","","has coordinates,has disorder","246503","2020-10-21","18:00:00",""
"4133907","9.7884","0.0003","10.4455","0.0003","11.6886","0.0003","66.5672","0.0012","70.0783","0.0015","65.0638","0.0013","972.56","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C50 H42 N2 O4 -","2","1","","Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming","α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes.","Journal of the American Chemical Society","2019","141","50","19594","19599","10.1021/jacs.9b11716","","","1.54178","CuKα","","0.0369","0.0344","","","0.125","0.128","","","","","","1.637","","","","has coordinates","246504","2020-10-21","18:00:00",""
"4133908","9.2388","0.0003","9.285","0.0003","16.9164","0.0005","99.14","0.001","93.674","0.001","107.59","0.001","1355.99","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","2","","Wang, Yidong; Zhu, Jin; Durham, Austin C.; Lindberg, Haley; Wang, Yi-Ming","α-C-H Functionalization of π-Bonds Using Iron Complexes: Catalytic Hydroxyalkylation of Alkynes and Alkenes.","Journal of the American Chemical Society","2019","141","50","19594","19599","10.1021/jacs.9b11716","","","1.54178","CuKα","","0.0427","0.0416","","","0.1205","0.1218","","","","","","1.562","","","","has coordinates","246505","2020-10-21","18:00:00",""
"4133909","11.7674","0.001","12.161","0.001","28.605","0.003","83.764","0.002","80.941","0.002","78.3598","0.0017","3946.8","0.6","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H42.5 La N9 O23.25 P4 -","- C12 H24 La N9 O23.25 P4 -","- C48 H96 La4 N36 O93 P16 -","4","2","","Stein, Benjamin W.; Morgenstern, Amanda; Batista, Enrique R.; Birnbaum, Eva R.; Bone, Sharon E.; Cary, Samantha K.; Ferrier, Maryline G.; John, Kevin D.; Pacheco, Juan Lezama; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Yang, Ping","Advancing Chelation Chemistry for Actinium and Other +3 f-Elements, Am, Cm, and La.","Journal of the American Chemical Society","2019","141","49","19404","19414","10.1021/jacs.9b10354","","","0.71073","MoKα","","0.075","0.0471","","","0.1221","0.1314","","","","","","1.243","","","","has coordinates","246506","2020-10-21","18:00:00",""
"4133936","14.7252","0.0012","14.9165","0.0012","16.888","0.0013","88.12","0.002","66.154","0.002","78.264","0.002","3316.8","0.5","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C83 H74 N6 O8 -","- C83 H74 N6 O8 -","- C166 H148 N12 O16 -","2","1","","Drigo, Nikita A.; Roldán-Carmona, Cristina; Franckevicius, Marius; Lin, Kun-Han; Gegevi Ius, Rokas; Kim, Hobeom; Schouwink, Pascal A.; Sutanto, Albertus Adrian; Olthof, Selina; Sohail, Muhammad; Meerholz, Klaus; Gulbinas, Vidmantas; Corminboeuf, Clémence; Paek, Sanghyun; Nazeeruddin, Mohammad Khaja","Doped but stable: spirobisacridine hole transporting materials for hysteresis-free and stable perovskite solar cells.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07166","","","0.71073","MoKα","","0.0666","0.0437","","","0.1007","0.1115","","","","","","1.03","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4133953","23.3237","0.0011","6.7691","0.0003","13.9148","0.0005","90","","116.158","0.004","90","","1971.87","0.16","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19.5 H19 Cl N2 O3 S2 -","- C19.5 H19 Cl N2 O3 S2 -","- C78 H76 Cl4 N8 O12 S8 -","4","1","","Li, Xiaolu; Chi, Lu-Ping; Navarro-Vázquez, Armando; Hwang, Songhwan; Schmieder, Peter; Li, Xiao-Ming; Li, Xin; Yang, Sui-Qun; Lei, Xinxiang; Wang, Bin-Gui; Sun, Han","Stereochemical Elucidation of Natural Products from Residual Chemical Shift Anisotropies in a Liquid Crystalline Phase.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10961","","","1.54178","CuKα","","0.0767","0.0649","","","0.1728","0.1859","","","","","","1.047","","","","has coordinates","246842","2020-10-21","18:00:00",""
"4134045","10.2665","0.0004","15.0186","0.0005","15.1586","0.0006","106.802","0.002","98.455","0.002","94.384","0.002","2195.65","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 F12 N6 O5 P2 Ru -","- C36 H48 F12 N6 O5 P2 Ru -","- C72 H96 F24 N12 O10 P4 Ru2 -","2","1","","Sampaio, Renato N.; Grills, David C.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko","Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11897","","","0.71073","MoKα","","0.1058","0.0498","","","0.1105","0.1253","","","","","","0.998","","","","has coordinates","247264","2020-10-21","18:00:00",""
"4134046","10.1169","0.0007","10.8235","0.0007","19.72","0.0013","96.808","0.004","98.601","0.004","101.702","0.003","2065.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H39 F12 N5 O3 P2 Ru -","- C33 H37.2 F12 N5 O3 P2 Ru -","- C66 H74.4 F24 N10 O6 P4 Ru2 -","2","1","","Sampaio, Renato N.; Grills, David C.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko","Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11897","","","0.71073","MoKα","","0.099","0.055","","","0.1283","0.1439","","","","","","0.981","","","","has coordinates,has disorder","247265","2020-10-21","18:00:00",""
"4134229","34.4289","0.0007","27.4149","0.0006","23.4214","0.0004","90","","90","","90","","22106.6","0.8","150","2","150","2","","","","","","","","4","P n n a","-P 2a 2bc","52","JU907_150K","","","- C246 H215 Cl O7 -","- C246 H215 Cl O7 -","- C984 H860 Cl4 O28 -","4","0.5","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","Mokα","","0.2303","0.1848","","","0.5029","0.5767","","","","","","1.363","","","","has coordinates,has disorder","248382","2020-10-21","18:00:00",""
"4134230","17.961","0.003","22.993","0.004","30.67","0.005","75.795","0.005","89.774","0.005","76.438","0.005","11917","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","JU833_placa_200K","","","- C114 H93.75 Cl O3.25 S2 -","- C114 H93.75 Cl O3.25 S2 -","- C456 H375 Cl4 O13 S8 -","4","2","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","MoKα","","0.3352","0.21","","","0.5065","0.5887","","","","","","1.278","","","","has coordinates,has disorder","248382","2020-10-21","18:00:00",""
"4134231","14.4011","0.0008","27.7525","0.0014","31.779","0.0015","88.123","0.002","80.967","0.003","75.619","0.003","12150.2","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","JU833_poly_170K","","","- C218.25 H54 Cl5 O1.75 S4 -","- C218.25 H54 Cl5 O1.75 S4 -","- C436.5 H108 Cl10 O3.5 S8 -","2","1","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","MoKα","","0.4001","0.2549","","","0.5918","0.6502","","","","","","1.761","","","","has coordinates","248382","2020-10-21","18:00:00",""
"4134232","20.3136","0.0016","23.489","0.002","27.759","0.003","93.006","0.005","96.297","0.005","104.808","0.005","12683","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","JU833_150K","","","- C108.88 H67.5 Cl0.5 O0.75 -","- C108.875 H67.5 Cl0.5 O0.75 -","- C435.5 H270 Cl2 O3 -","4","2","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","MoKα","","0.411","0.2896","","","0.6505","0.7188","","","","","","1.76","","","","has coordinates","248382","2020-10-21","18:00:00",""
"4345990","24.261","0.005","30.967","0.006","25.454","0.005","90","","101.91","0.03","90","","18712","7","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, formic acid and water","poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxo)di(hydroxo)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, formic acid and water","","- C114 H96 O36 Zr6 -","- C114 H88 O36 Zr6 -","- C456 H352 O144 Zr24 -","4","0.5","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","","","1.54186","CuKα","","0.0392","0.0341","","","0.1072","0.11","","","","","","0.985","","","","has coordinates,has disorder","220621","2020-10-21","18:00:00",""
"4345991","24.2611","0.0002","30.9669","0.0004","25.4544","0.0003","90","","101.912","0.001","90","","18711.8","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, formic acid and water","poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxido)di(hydroxido)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, formic acid and water","","- C132 H138 N6 O42 Zr6 -","- C135 H84 N4 O44 Zr6 -","- C540 H336 N16 O176 Zr24 -","4","0.5","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","","x-ray","1.54186","CuKα","","0.0698","0.0627","","","0.21","0.2182","","","","","","1.074","","","","has coordinates,has disorder","220621","2020-10-21","18:00:00",""
"4345992","24.5829","0.0006","30.8205","0.0005","25.6723","0.0005","90","","100.624","0.002","90","","19117.4","0.7","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, acetic acid and water","poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxido)di(hydroxido)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, acetic acid and water","","- C114 H96 O36 Zr6 -","- C114 H88 O36 Zr6 -","- C456 H352 O144 Zr24 -","4","0.5","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","","x-ray","1.54186","CuKα","","0.0856","0.0592","","","0.1464","0.1569","","","","","","0.93","","","","has coordinates,has disorder","220621","2020-10-21","18:00:00",""
"4345993","17.9142","","17.9142","","31.5291","","90","","90","","90","","10118.3","","293","","293","","","","","","","","","4","I 4/m","-I 4","87","","","","- C80 H64 O32 Zr12.8 -","- C80 H64 O32 Zr12.8 -","- C160 H128 O64 Zr25.6 -","2","0.125","","Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan","Ligand Excess ""Inverse-Defected"" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.","Inorganic chemistry","2019","58","19","12786","12797","10.1021/acs.inorgchem.9b01721","powder diffraction","x-ray","1.54051","","","0.1553","0.1553","","0.2065","0.2065","","","","7.72","","","","","","","has coordinates","220621","2020-10-21","18:00:00",""
"4349901","12.1561","0.0006","12.2251","0.0004","15.8952","0.0004","90","","94.761","0.003","90","","2354.03","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 Eu F12 Li O17 -","- C33 H44 Eu F12 Li O17 -","- C66 H88 Eu2 F24 Li2 O34 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0497","0.0371","","","0.0864","0.0958","","","","","","1.007","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349902","12.1678","0.0006","12.1989","0.0003","15.8643","0.0005","90","","94.541","0.004","90","","2347.41","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 F12 Li O17 Tb -","- C33 H44 F12 Li O17 Tb -","- C66 H88 F24 Li2 O34 Tb2 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.71073","MoKα","","0.0453","0.0344","","","0.0792","0.0871","","","","","","1.002","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349903","17.0892","0.0003","11.9719","0.0002","22.2112","0.0005","90","","94.1377","0.0019","90","","4532.35","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Dy F12 Li O17 -","- C32 H42 Dy F12 Li O17 -","- C128 H168 Dy4 F48 Li4 O68 -","4","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0545","0.0336","","","0.0856","0.0987","","","","","","0.997","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349904","12.3203","0.0004","12.2197","0.0004","15.8773","0.0005","90","","94.512","0.003","90","","2382.93","0.13","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C33 H44 Dy F12 Li O17 -","- C33 H44 Dy F12 Li O17 -","- C66 H88 Dy2 F24 Li2 O34 -","2","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.049","0.0372","","","0.0883","0.1013","","","","","","1.005","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349905","17.0562","0.0004","12.0115","0.0004","22.3205","0.0006","90","","94.358","0.003","90","","4559.6","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Eu F12 Li O17 -","- C32 H42 Eu F12 Li O17 -","- C128 H168 Eu4 F48 Li4 O68 -","4","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.061","0.0388","","","0.1107","0.1331","","","","","","1.006","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349906","17.0754","0.0004","11.9683","0.0004","22.2027","0.0007","90","","94.196","0.003","90","","4525.3","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 F12 Li O17 Tb -","- C32 H42 F12 Li O17 Tb -","- C128 H168 F48 Li4 O68 Tb4 -","4","1","","Bazhin, Denis N.; Kudyakova, Yulia S.; Bogomyakov, Artem S.; Slepukhin, Pavel A.; Kim, Grigory A.; Burgart, Yanina V.; Saloutin, Victor I.","Dinuclear lanthanide‒lithium complexes based on fluorinated β-diketonate with acetal group: magnetism and effect of crystal packing on mechanoluminescence","Inorganic Chemistry Frontiers","2019","6","1","40","","10.1039/C8QI00772A","","","0.7107","MoKα","","0.0666","0.0376","","","0.0847","0.1015","","","","","","1","","","","has coordinates,has disorder","236933","2020-10-21","18:00:00",""
"4349915","40.71","0.02","15.001","0.009","14.658","0.009","90","","95.496","0.007","90","","8910","9","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 F6 N3 O4 P3 Ru -","- C45 H40 F6 N3 O4 P3 Ru -","- C360 H320 F48 N24 O32 P24 Ru8 -","8","1","","Honorato, João; Colina-Vegas, Legna; Correa, Rodrigo S.; Guedes, Adriana P. M.; Miyata, Marcelo; Pavan, Fernando R.; Ellena, Javier; Batista, Alzir A.","Esterification of the free carboxylic group from the lutidinic acid ligand as a tool to improve the cytotoxicity of Ru(ii) complexes","Inorganic Chemistry Frontiers","2019","6","2","376","","10.1039/C8QI00941D","","x-ray","0.71075","MoKα","","0.0654","0.0495","","","0.1134","0.123","","","","","","1.056","","","","has coordinates","236943","2020-10-21","18:00:00",""
"4349916","13.5183","0.0004","12.8666","0.0003","28.1285","0.0007","90","","100.746","0.003","90","","4806.7","0.2","298","2","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H44 F6 N3 O4 P3 Ru -","- C47 H44 F6 N3 O4 P3 Ru -","- C188 H176 F24 N12 O16 P12 Ru4 -","4","1","","Honorato, João; Colina-Vegas, Legna; Correa, Rodrigo S.; Guedes, Adriana P. M.; Miyata, Marcelo; Pavan, Fernando R.; Ellena, Javier; Batista, Alzir A.","Esterification of the free carboxylic group from the lutidinic acid ligand as a tool to improve the cytotoxicity of Ru(ii) complexes","Inorganic Chemistry Frontiers","2019","6","2","376","","10.1039/C8QI00941D","","x-ray","0.71073","MoKα","","0.0782","0.0548","","","0.1385","0.1617","","","","","","1.099","","","","has coordinates,has disorder","236943","2020-10-21","18:00:00",""
"4349919","15.2776","0.001","7.20969","0.00054","9.65271","0.00062","90","","90","","90","","1063.21","0.13","298","","298","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.7 H11.3 Cu N5.9 O0.9 -","- C8.85 H11.65 Cu N5.95 O0.9501 -","- C35.4 H46.6 Cu4 N23.8 O3.8004 -","4","0.25","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349920","14.9282","0.0019","6.91409","0.00097","9.6033","0.0013","90","","90","","90","","991.2","0.2","298","","298","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.6 N5.8 Ni O0.8 -","- C8.1504 H9.3008 N5.7168 Ni O0.7168 -","- C32.6016 H37.2032 N22.8672 Ni4 O2.8672 -","4","0.25","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349921","8.95349","0.00017","8.95349","0.00017","7.24405","0.0002","90","","90","","90","","580.72","0.02","298","","298","","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C8.7 H11.3 N5.9 O0.9 Zn -","- C8.7192 H11.3448 N5.9064 O0.9064 Zn -","- C17.4384 H22.6896 N11.8128 O1.8128 Zn2 -","2","0.125","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","236948","2020-10-21","18:00:00",""
"4349922","8.1099","0.0009","4.5429","0.0004","9.394","0.0012","90","","107.583","0.013","90","","329.93","0.07","213","2","213","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C6 H7 N5 -","- C6 H7 N5 -","- C12 H14 N10 -","2","1","","Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea","Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates","Inorganic Chemistry Frontiers","2019","6","2","533","","10.1039/C8QI00997J","","","0.71073","MoKα","","0.0516","0.0352","","","0.0887","0.0937","","","","","","0.916","","","","has coordinates,has disorder","236948","2020-10-21","18:00:00",""
"4349923","13.2955","0.0011","17.6522","0.0015","15.7208","0.0013","90","","99.201","0.002","90","","3642.1","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cu N4 O6 -","- C29 H22 Cu N4 O6 -","- C116 H88 Cu4 N16 O24 -","4","1","","Xie, Bao-Ping; Qiu, Gui-Hua; Sun, Bin; Yang, Zi-Feng; Zhang, Wen-Hua; Chen, Jin-Xiang; Jiang, Zhi-Hong","Synchronous sensing of three conserved sequences of Zika virus using a DNAs@MOF hybrid: experimental and molecular simulation studies","Inorganic Chemistry Frontiers","2019","6","1","148","","10.1039/C8QI01031E","","","0.71073","MoKα","","0.0782","0.0597","","","0.169","0.1764","","","","","","1.136","","","","has coordinates","236951","2020-10-21","18:00:00",""
"4349924","8.4865","0.0006","13.3852","0.001","13.411","0.0011","90.842","0.006","100.808","0.007","97.102","0.006","1483.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 Cd3 N4 O23 -","- C14 H32 Cd3 N4 O23 -","- C28 H64 Cd6 N8 O46 -","2","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0517","0.0396","","","0.0953","0.1026","","","","","","1.042","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349925","22.7079","0.001","16.2566","0.001","18.0067","0.0009","90","","102.003","0.002","90","","6501.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cd2 N4 O15 -","- C26 H38 Cd2 N4 O15 -","- C208 H304 Cd16 N32 O120 -","8","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0435","0.041","","","0.1058","0.108","","","","","","1.022","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349926","10.069","0.005","11.558","0.005","22.692","0.005","87.207","0.005","85.685","0.005","77.232","0.005","2566.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Cd5 N12 O44 -","- C64 H92 Cd5 N12 O44 -","- C64 H92 Cd5 N12 O44 -","1","0.5","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71069","MoKα","","0.082","0.0763","","","0.2065","0.2109","","","","","","1.039","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349927","25.474","0.003","23.533","0.003","18.769","0.002","90","","125.827","0.005","90","","9122.7","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C78 H100 Cd5 N16 O38 -","- C78 H100 Cd5 N16 O38 -","- C312 H400 Cd20 N64 O152 -","4","1","","Gaur, Ruchi","Selective anionic dye adsorption, topology and luminescence study of structurally diverse cadmium(ii) coordination polymers","Inorganic Chemistry Frontiers","2019","6","1","278","","10.1039/C8QI01039K","","","0.71073","MoKα","","0.0486","0.0401","","","0.0869","0.0904","","","","","","1.016","","","","has coordinates","236954","2020-10-21","18:00:00",""
"4349928","12.7602","0.0002","14.8229","0.0002","15.1688","0.0002","90","","98.822","0.002","90","","2835.13","0.07","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","L1MnCl","","- C62 H68 Cl2 Mn2 P2 -","- C62 H68 Cl2 Mn2 P2 -","- C124 H136 Cl4 Mn4 P4 -","2","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0531","0.0485","","","0.1459","0.1502","","","","","","1.084","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349929","12.836","0.0002","17.5755","0.0003","21.942","0.0004","90","","106.264","0.002","90","","4752","0.15","179.9","0.3","179.9","0.3","","","","","","","","7","P 1 21 1","P 2yb","4","","K(18-C-6)MnCl2","","- C45 H63 Cl2 K Mn O6.5 P -","- C45 H63 Cl2 K Mn O6.5 P -","- C180 H252 Cl8 K4 Mn4 O26 P4 -","4","2","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0269","0.0249","","","0.0616","0.0625","","","","","","1.021","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4349930","12.9652","0.0005","13.7431","0.0007","19.5176","0.0007","70.396","0.004","88.916","0.003","62","0.005","2852.2","0.3","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","L1MnMe","","- C64 H74 Mn2 P2 -","- C64 H74 Mn2 P2 -","- C128 H148 Mn4 P4 -","2","1","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0569","0.0461","","","0.1234","0.132","","","","","","1.097","","","","has coordinates,has disorder","236956","2020-10-21","18:00:00",""
"4349931","10.0194","0.0003","12.4401","0.0004","13.4146","0.0004","116.797","0.003","96.699","0.003","106.485","0.003","1371.44","0.1","179.99","0.11","179.99","0.11","","","","","","","","5","P -1","-P 1","2","","L1MnNH2","","- C31 H36 Mn N P -","- C31 H36 Mn N P -","- C62 H72 Mn2 N2 P2 -","2","1","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.056","0.0493","","","0.1422","0.148","","","","","","1.061","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349932","12.2781","0.0004","14.9823","0.0004","15.6542","0.0005","90","","98.494","0.003","90","","2848.07","0.15","179.98","0.1","179.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Br2 Mn2 P2 -","- C62 H68 Br2 Mn2 P2 -","- C124 H136 Br4 Mn4 P4 -","2","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0339","0.0257","","","0.0633","0.0667","","","","","","1.057","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349933","13.5013","0.0002","13.5013","0.0002","27.8106","0.001","90","","90","","90","","5069.5","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -4 21 c","P -4 2n","114","","Mn(L1)2","","- C62 H68 Mn P2 -","- C62 H68 Mn P2 -","- C248 H272 Mn4 P8 -","4","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0379","0.0368","","","0.0969","0.0978","","","","","","1.074","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4349934","10.029","0.006","13.435","0.007","22.07","0.013","104.66","0.02","96.42","0.03","95.68","0.03","2834","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H71 Cd N7 O23 -","- C44 H31 Cd N6 O21 -","- C88 H62 Cd2 N12 O42 -","2","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.1077","0.0813","","","0.2176","0.2312","","","","","","1.361","","","","has coordinates","236960","2020-10-21","18:00:00",""
"4349935","24.42","0.02","9.548","0.008","28.679","0.018","90","","111.44","0.03","90","","6224","8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H60 Cd N7 O18 -","- C46 H37 Cd N6 O15 -","- C184 H148 Cd4 N24 O60 -","4","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.0865","0.0765","","","0.2064","0.2165","","","","","","0.574","","","","has coordinates","236960","2020-10-21","18:00:00",""
"4349936","9.774","0.007","13.183","0.01","22.52","0.012","103.44","0.03","95.59","0.02","96.68","0.03","2780","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 Co N6 O21 -","- C41 H27 Co N5 O9 -","- C82 H54 Co2 N10 O18 -","2","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.0911","0.0647","","","0.1712","0.1815","","","","","","1.028","","","","has coordinates,has disorder","236960","2020-10-21","18:00:00",""
"4349937","23.803","0.002","9.7214","0.001","23.932","0.002","90","","103.862","0.004","90","","5376.5","0.8","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Co N6 O14 -","- C43 H31 Co N5 O8 -","- C172 H124 Co4 N20 O32 -","4","1","","Konavarapu, Satyanarayana K.; Goswami, Anindita; Kumar, Anaparthi Ganesh; Banerjee, Susanta; Biradha, Kumar","MOFs containing a linear bis-pyridyl-tris-amide and angular carboxylates: exploration of proton conductivity, water vapor and dye sorptions","Inorganic Chemistry Frontiers","2019","6","1","184","","10.1039/C8QI01055B","","","0.71073","MoKα","","0.1192","0.0726","","","0.2201","0.2569","","","","","","0.854","","","","has coordinates","236960","2020-10-21","18:00:00",""
"4349938","18.525","0.004","8.827","0.001","21.485","0.004","90","","104.5","0.02","90","","3401.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H46 N14 O19 Th -","- C16 H46 N14 O19 Th -","- C64 H184 N56 O76 Th4 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of water‒carbonate exchange equilibrium for MIII/IV‒EDTA‒carbonate systems","Inorganic Chemistry Frontiers","2019","6","1","153","","10.1039/C8QI01062E","","","0.71073","MoKα","","0.0598","0.0409","","","0.0873","0.1006","","","","","","0.992","","","","has coordinates","236962","2020-10-21","18:00:00",""
"4349939","14.749","0.003","10.683","0.002","15.594","0.003","90","","92.3","0.02","90","","2455.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 Er N11 O12 -","- C14 H32 Er N11 O12 -","- C56 H128 Er4 N44 O48 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of water‒carbonate exchange equilibrium for MIII/IV‒EDTA‒carbonate systems","Inorganic Chemistry Frontiers","2019","6","1","153","","10.1039/C8QI01062E","","","0.71073","MoKα","","0.0461","0.0381","","","0.1012","0.1039","","","","","","1.062","","","","has coordinates","236962","2020-10-21","18:00:00",""
"4349940","9.8379","0.0006","24.3939","0.0009","8.2626","0.0004","90","","110.851","0.006","90","","1853.04","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ag3 I4 N3 -","- C8 H10 Ag3 I4 N3 -","- C32 H40 Ag12 I16 N12 -","4","1","","Hao, Pengfei; Wang, Weipin; Zhang, Lifang; Shen, Junju; Fu, Yunlong","Metal-dependent electronic and photochromic behaviors of dimethylbenzotriazolium iodometallate hybrids","Inorganic Chemistry Frontiers","2019","6","1","287","","10.1039/C8QI01067F","","","0.71073","MoKα","","0.0544","0.0431","","","0.095","0.1024","","","","","","1.089","","","","has coordinates","236964","2020-10-21","18:00:00",""
"4349941","9.8549","0.0008","24.3664","0.0014","8.2594","0.0007","90","","110.903","0.009","90","","1852.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ag3 I4 N3 -","- C8 H10 Ag3 I4 N3 -","- C32 H40 Ag12 I16 N12 -","4","1","","Hao, Pengfei; Wang, Weipin; Zhang, Lifang; Shen, Junju; Fu, Yunlong","Metal-dependent electronic and photochromic behaviors of dimethylbenzotriazolium iodometallate hybrids","Inorganic Chemistry Frontiers","2019","6","1","287","","10.1039/C8QI01067F","","","0.71073","MoKα","","0.0912","0.0655","","","0.1615","0.1815","","","","","","1.025","","","","has coordinates","236964","2020-10-21","18:00:00",""
"4349942","9.9731","0.0006","23.7603","0.0014","7.79","0.0004","90","","112.217","0.001","90","","1708.9","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu3 I4 N3 -","- C8 H10 Cu3 I4 N3 -","- C32 H40 Cu12 I16 N12 -","4","1","","Hao, Pengfei; Wang, Weipin; Zhang, Lifang; Shen, Junju; Fu, Yunlong","Metal-dependent electronic and photochromic behaviors of dimethylbenzotriazolium iodometallate hybrids","Inorganic Chemistry Frontiers","2019","6","1","287","","10.1039/C8QI01067F","","","0.71073","MoKα","","0.0392","0.0368","","","0.1016","0.1034","","","","","","1.082","","","","has coordinates","236964","2020-10-21","18:00:00",""
"4349944","12.9337","0.0004","7.8094","0.0002","21.1115","0.0006","90","","90.785","0.003","90","","2132.16","0.1","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua","Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound","Inorganic Chemistry Frontiers","2019","6","1","233","","10.1039/C8QI01097H","","x-ray","0.71073","MoKα","","0.0444","0.0388","","","0.0839","0.0864","","","","","","1.149","","","","has coordinates","236968","2020-10-21","18:00:00",""
"4349945","13.183","0.002","8.0474","0.0012","21.122","0.004","90","","90.895","0.006","90","","2240.5","0.6","330","2","330","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua","Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound","Inorganic Chemistry Frontiers","2019","6","1","233","","10.1039/C8QI01097H","","","0.71073","MoKα","","0.1414","0.1033","","","0.2733","0.3001","","","","","","1.02","","","","has coordinates","236968","2020-10-21","18:00:00",""
"4349946","13.1935","0.0002","8.0066","0.0001","20.9454","0.0003","90","","91.293","0.002","90","","2212.01","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua","Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound","Inorganic Chemistry Frontiers","2019","6","1","233","","10.1039/C8QI01097H","","","1.54184","CuKα","","0.0523","0.0491","","","0.1366","0.1389","","","","","","1.111","","","","has coordinates","236968","2020-10-21","18:00:00",""
"4349947","7.6721","0.0002","11.4426","0.0002","15.8174","0.0004","90","","90","","90","","1388.59","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HL","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.0432","0.0403","","","0.1086","0.111","","","","","","1.164","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4349948","22.941","0.005","7.6098","0.0012","34.505","0.007","90","","105.03","0.02","90","","5818","2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H61.5 Cu2 N12 O8 -","- C56 H64 Cu2 N12 O8 -","- C224 H256 Cu8 N48 O32 -","4","0.5","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.2602","0.118","","","0.2945","0.3998","","","","","","0.988","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4349949","22.8871","0.0014","7.6537","0.0005","34.918","0.002","90","","105.51","0.007","90","","5893.9","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1","","- C28 H32 N6 O4 Zn -","- C28 H32 N6 O4 Zn -","- C224 H256 N48 O32 Zn8 -","8","1","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.0759","0.0545","","","0.1514","0.1769","","","","","","1.104","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4349950","11.5016","0.0003","17.0121","0.0004","14.707","0.0004","90","","90","","90","","2877.67","0.13","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C6 H7 N7 O6 Zn2 -","- C6 H7 N7 O6 Zn2 -","- C48 H56 N56 O48 Zn16 -","8","1","","Li, Yixing; Zhang, Xiao; Xu, Ping; Jiang, Zimin; Sun, Jianmin","The design of a novel and resistant Zn(PZDC)(ATZ) MOF catalyst for the chemical fixation of CO2 under solvent-free conditions","Inorganic Chemistry Frontiers","2019","6","1","317","","10.1039/C8QI01150H","","x-ray","1.54184","CuKα","","0.0421","0.0369","","","0.0977","0.1009","","","","","","1.071","","","","has coordinates","236972","2020-10-21","18:00:00",""
"4349951","17.46","0.009","19.248","0.01","19.582","0.01","78.594","0.009","83.327","0.008","75.17","0.008","6221","6","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","Cluster-1","","- C86 H100 N3 Nd9 O56 -","- C86 H100 N3 Nd9 O56 -","- C172 H200 N6 Nd18 O112 -","2","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Schipper, Desmond; Jones, Richard A.","NIR luminescence for the detection of metal ions and nitro explosives based on a grape-like nine-nuclear Nd(iii) nanocluster","Inorganic Chemistry Frontiers","2019","6","2","550","","10.1039/C8QI01166D","","","0.71073","MoKα","","0.089","0.0628","","","0.1972","0.2545","","","","","","1.105","","","","has coordinates","236974","2020-10-21","18:00:00",""
"4349952","17.257","0.007","19.135","0.007","19.467","0.007","78.782","0.009","83.275","0.008","75.79","0.008","6096","4","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","Cluster-2","","- C86 H100 Gd9 N3 O56 -","- C86 H100 Gd9 N3 O56 -","- C172 H200 Gd18 N6 O112 -","2","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Schipper, Desmond; Jones, Richard A.","NIR luminescence for the detection of metal ions and nitro explosives based on a grape-like nine-nuclear Nd(iii) nanocluster","Inorganic Chemistry Frontiers","2019","6","2","550","","10.1039/C8QI01166D","","","0.71073","MoKα","","0.109","0.056","","","0.1586","0.228","","","","","","1.049","","","","has coordinates","236974","2020-10-21","18:00:00",""
"4349953","10.98368","0.00014","14.58477","0.00015","19.3219","0.0003","90","","99.214","0.0011","90","","3055.32","0.07","100.01","0.14","100.01","0.14","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H50 N22 Na2 O30.75 -","- C40 H50 N22 Na2 O30.75 -","- C80 H100 N44 Na4 O61.5 -","2","0.5","","Lin, Jing-Xiang; Chen, Yu-Xi; Zhao, Dan; Chen, Yu; Lu, Xiu-Qiang; Lü, Jian; Cao, Rong","Controlled nitrite anion encapsulation and release in the molecular cavity of decamethylcucurbit[5]uril: solution and solid state studies","Inorganic Chemistry Frontiers","2019","6","1","303","","10.1039/C8QI01168K","","x-ray","1.54184","CuKα","","0.0766","0.073","","","0.2012","0.2049","","","","","","1.04","","","","has coordinates","236977","2020-10-21","18:00:00",""
"4349954","31.578","0.005","14.455","0.002","12.057","0.0017","90","","90","","90","","5503.5","1.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 N26 Na2 O29 -","- C36 H36 N26 Na2 O29 -","- C144 H144 N104 Na8 O116 -","4","1","","Lin, Jing-Xiang; Chen, Yu-Xi; Zhao, Dan; Chen, Yu; Lu, Xiu-Qiang; Lü, Jian; Cao, Rong","Controlled nitrite anion encapsulation and release in the molecular cavity of decamethylcucurbit[5]uril: solution and solid state studies","Inorganic Chemistry Frontiers","2019","6","1","303","","10.1039/C8QI01168K","","","1.54184","CuKα","","0.1169","0.1126","","","0.3141","0.3177","","","","","","1.0458","","","","has coordinates","236977","2020-10-21","18:00:00",""
"4349955","17.6727","0.0005","17.6727","0.0005","75.9637","0.0019","90","","90","","120","","20546.7","1","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C94 H112 Br2 O19 P6 Re6 Se8 -","- C93.9996 H93.999 Br2 O20 P6 Re6 Se8 -","- C563.998 H563.994 Br12 O120 P36 Re36 Se48 -","6","0.166667","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0433","0.0355","","","0.0984","0.1039","","","","","","1.114","","","","has coordinates,has disorder","236980","2020-10-21","18:00:00",""
"4349956","14.1316","0.0015","14.6796","0.0015","14.8908","0.0015","60.961","0.003","78.277","0.003","63.097","0.003","2407.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Na4 O16 P6 Re6 Se8 -","- C90 H92 Na4 O16 P6 Re6 Se8 -","- C90 H92 Na4 O16 P6 Re6 Se8 -","1","0.5","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0261","0.0205","","","0.0467","0.0486","","","","","","1.055","","","","has coordinates","236980","2020-10-21","18:00:00",""
"4349957","13.9958","0.0003","14.5841","0.0003","14.8362","0.0004","61.351","0.001","78.554","0.001","63.323","0.001","2374.12","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Na4 O16 P6 Re6 S8 -","- C90 H92 Na4 O16 P6 Re6 S8 -","- C90 H92 Na4 O16 P6 Re6 S8 -","1","0.5","","Ivanov, Anton A.; Konovalov, Dmitry I.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Melnikov, Anatoly R.; Brylev, Konstantin A.; Kuratieva, Natalia V.; Yanshole, Vadim V.; Kirakci, Kaplan; Lang, Kamil; Cheltygmasheva, Svetlana N.; Kitamura, Noboru; Shestopalova, Lidiya V.; Mironov, Yuri V.; Shestopalov, Michael A.","Water-soluble Re6-clusters with aromatic phosphine ligands ‒ from synthesis to potential biomedical applications","Inorganic Chemistry Frontiers","2019","6","4","882","","10.1039/C8QI01216D","","x-ray","0.71073","MoKα","","0.0215","0.0192","","","0.0464","0.0472","","","","","","1.028","","","","has coordinates","236980","2020-10-21","18:00:00",""
"4349958","63.7383","0.0015","63.7383","0.0015","25.3645","0.0007","90","","90","","120","","89240","4","150","2","150","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C297 H162 Cu24 O132 -","- C296 H162 Cu24 O132 -","- C1776 H972 Cu144 O792 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Wang, Xia; Xu, Guohai; Zhang, Zhengyi; He, Yabing","A ligand conformation preorganization approach to construct a copper‒hexacarboxylate framework with a novel topology for selective gas adsorption","Inorganic Chemistry Frontiers","2019","6","1","263","","10.1039/C8QI01225C","","","1.54178","CuKα","","0.137","0.1174","","","0.2795","0.2881","","","","","","1.085","","","","has coordinates,has disorder","236983","2020-10-21","18:00:00",""
"4349959","12.2908","0.0002","15.6215","0.0002","15.909","0.0003","87.576","0.001","72.944","0.002","77.779","0.002","2853.38","0.09","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 B4 Co2 Fe4 N48 -","- C108 H112 B4 Co2 Fe4 N48 -","- C108 H112 B4 Co2 Fe4 N48 -","1","0.5","","Wang, Jin-Hua; Vignesh, Kuduva R.; Zhao, Jia; Li, Zhao-Yang; Dunbar, Kim R.","Charge transfer and slow magnetic relaxation in a series of cyano-bridged FeIII4MII2 (M = FeII, CoII, NiII) molecules","Inorganic Chemistry Frontiers","2019","6","2","493","","10.1039/C8QI01245H","","x-ray","1.54184","CuKα","","0.0589","0.0515","","","0.1336","0.1382","","","","","","1.078","","","","has coordinates","236986","2020-10-21","18:00:00",""
"4349960","11.7366","0.0001","15.9647","0.0002","17.5474","0.0002","82.914","0.001","71.869","0.001","84.363","0.001","3094.51","0.06","298.5","0.2","298.5","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H112 B4 Fe6 N48 -","- C108 H112 B4 Fe6 N48 -","- C108 H112 B4 Fe6 N48 -","1","0.5","","Wang, Jin-Hua; Vignesh, Kuduva R.; Zhao, Jia; Li, Zhao-Yang; Dunbar, Kim R.","Charge transfer and slow magnetic relaxation in a series of cyano-bridged FeIII4MII2 (M = FeII, CoII, NiII) molecules","Inorganic Chemistry Frontiers","2019","6","2","493","","10.1039/C8QI01245H","","x-ray","1.54184","CuKα","","0.0377","0.0327","","","0.088","0.0905","","","","","","1.075","","","","has coordinates","236986","2020-10-21","18:00:00",""
"4349961","15.0634","0.0002","16.0649","0.0002","17.2995","0.0002","88.219","0.001","85.232","0.001","65.864","0.001","3807.12","0.09","99.97","0.12","99.97","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 B4 Fe4 N48 Ni2 -","- C108 H112 B4 Fe4 N48 Ni2 -","- C108 H112 B4 Fe4 N48 Ni2 -","1","0.5","","Wang, Jin-Hua; Vignesh, Kuduva R.; Zhao, Jia; Li, Zhao-Yang; Dunbar, Kim R.","Charge transfer and slow magnetic relaxation in a series of cyano-bridged FeIII4MII2 (M = FeII, CoII, NiII) molecules","Inorganic Chemistry Frontiers","2019","6","2","493","","10.1039/C8QI01245H","","x-ray","1.54184","CuKα","","0.0506","0.0478","","","0.1289","0.1306","","","","","","1.077","","","","has coordinates","236986","2020-10-21","18:00:00",""
"4349962","9.1357","0.0004","16.0102","0.0006","11.0362","0.0005","90","","90","","90","","1614.2","0.12","100","2","100","2","","","","","","","","6","I m m 2","I 2 -2","44","[Cu(NNN-Me-pincer)-CN](Et4N).CH2Cl2","","","- C33 H43 Cl2 Cu N5 O2 -","- C33 H43 Cl2 Cu N5 O2 -","- C66 H86 Cl4 Cu2 N10 O4 -","2","0.25","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0452","0.0444","","","0.1131","0.1144","","","","","","1.081","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349963","22.1278","0.0003","12.06401","0.00015","21.5418","0.0003","90","","107.835","0.0014","90","","5474.22","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu(NNN-macrocycle)]-OH-[Cu(NNN-macrocycle)]}(Et4N)","","","- C58 H67 Cu2 N7 O11 -","- C58 H67 Cu2 N7 O11 -","- C232 H268 Cu8 N28 O44 -","4","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0326","0.0301","","","0.082","0.0836","","","","","","1.066","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349964","15.7451","0.0018","10.6651","0.001","20.59","0.0016","90","","90","","90","","3457.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Cu(NNN-Et-Pincer)-CN](Et4N)","","","- C36 H49 Cu N5 O2 -","- C36 H49 Cu N5 O2 -","- C144 H196 Cu4 N20 O8 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.1038","0.0847","","","0.2226","0.2378","","","","","","1.062","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349965","9.9439","0.0005","13.5474","0.0007","13.6659","0.0007","116.907","0.005","93.266","0.004","101.939","0.004","1582.07","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu(NNN-Me-pincer)-CH2CN](Et4N)","","","- C33 H43 Cu N5 O2 -","- C33 H43 Cu N5 O2 -","- C66 H86 Cu2 N10 O4 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0338","0.0301","","","0.0793","0.0815","","","","","","1.039","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349966","13.2403","0.0004","14.0874","0.0005","15.1112","0.0005","87.056","0.003","66.165","0.003","73.731","0.003","2468.79","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Cu(NNN-Ph)]-OH-[Cu(NNN-Ph)]}(Et4N).2DMF","","","- C52 H61 Cu2 N9 O7 -","- C52 H61 Cu2 N9 O7 -","- C104 H122 Cu4 N18 O14 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0489","0.0436","","","0.1225","0.1261","","","","","","1.041","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349967","13.63106","0.00016","17.20745","0.00019","14.4003","0.0002","90","","101.107","0.0013","90","","3314.4","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(NNN-iPr-ligand)-OH](Me4N)","","","- C35 H50 Cu N4 O3 -","- C35 H50 Cu N4 O3 -","- C140 H200 Cu4 N16 O12 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0361","0.0322","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349968","10.7968","0.0003","16.0879","0.0003","12.1844","0.0003","90","","112.318","0.003","90","","1957.87","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(NNN-iPr-ligand)(CN)(THF)](Me4N)","","","- C40 H57 Cu N5 O3 -","- C40 H57 Cu N5 O3 -","- C80 H114 Cu2 N10 O6 -","2","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0375","0.0366","","","0.1008","0.1017","","","","","","1.043","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349969","16.1634","0.0004","15.8968","0.0003","26.1094","0.0006","90","","90","","90","","6708.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(NNN-Et-pincer)-OH] (Et4N)","","","- C35 H50 Cu N4 O3 -","- C35 H50 Cu N4 O3 -","- C280 H400 Cu8 N32 O24 -","8","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.082","0.0774","","","0.1746","0.1767","","","","","","1.155","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349970","15.6043","0.0003","12.4174","0.0003","16.1889","0.0003","90","","90","","90","","3136.84","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CN(Ph)CC(Ph)-OH...O-C(Ph)C(Ph)CN](Et4N)","","","- C38 H41 N3 O2 -","- C38 H41 N3 O2 -","- C152 H164 N12 O8 -","4","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0473","0.0411","","","0.1098","0.1146","","","","","","1.064","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349971","9.71595","0.00018","11.2474","0.0002","29.0701","0.0005","90","","98.9634","0.0018","90","","3137.96","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(pincer)-CH=C=NH](Et4N)","","","- C33 H43 Cu N5 O2 -","- C33 H43 Cu N5 O2 -","- C132 H172 Cu4 N20 O8 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0615","0.0532","","","0.1508","0.157","","","","","","1.052","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4349972","14.5931","0.0005","12.2058","0.0005","16.6043","0.0005","90","","95.409","0.003","90","","2944.4","0.18","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","[Cu(NNN-Naph)-OH-Cu(NNN-Naph)](Et4N).DMF","The two naphthalin rings and the Et4N+ cation molecule of this structure was treated as disordered models with occupancies of 55/45, respectively. The occupancy of DMF set to 50% according to its symmetrical location in the model, which offers the other 50% occupancy after using 'grow' command. The distance of 2.37 angstrom between the original half DMF molecule and the other symmetrical half DMF also indicates that these two parts are NOT independent units.","","- C65 H62 Cu2 N8 O6 -","- C65 H62 Cu2 N8 O6 -","- C130 H124 Cu4 N16 O12 -","2","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0534","0.0527","","","0.1495","0.1517","","","","","","1.069","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349973","15.4791","0.0007","12.9401","0.0007","24.5733","0.0014","90","","97.226","0.005","90","","4883","0.4","120.8","0.2","120.8","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H38 N8 O8 Zn2 -","- C56 H38 N8 O8 Zn2 -","- C224 H152 N32 O32 Zn8 -","4","0.5","","Kang, Xiao-Min; Fan, Xi-Yu; Hao, Peng-Yuan; Wang, Wen-Min; Zhao, Bin","A stable zinc‒organic framework with luminescence detection of acetylacetone in aqueous solution","Inorganic Chemistry Frontiers","2019","6","1","271","","10.1039/C8QI01260A","","x-ray","0.71073","MoKα","","0.1011","0.06","","","0.1129","0.1302","","","","","","1.067","","","","has coordinates","236991","2020-10-21","18:00:00",""
"4349974","9.6005","0.0006","17.2685","0.0015","15.6571","0.001","90","","107.09","0.002","90","","2481.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine","","- C16 H22 Cu3 I3 N2 S2 -","- C16 H22 Cu3 I3 N2 S2 -","- C64 H88 Cu12 I12 N8 S8 -","4","0.5","","Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.","Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer","Inorganic Chemistry Frontiers","2019","6","3","671","","10.1039/C8QI01302K","","","0.71073","MoKα","","0.0433","0.0348","","","0.0899","0.0978","","","","","","1.083","","","","has coordinates,has disorder","236993","2020-10-21","18:00:00",""
"4349975","8.7276","0.0004","14.4775","0.0007","9.7601","0.0005","90","","112.665","0.002","90","","1137.99","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine (2:2)","","- C16 H22 Cu2 I2 N2 S2 -","- C16 H22 Cu2 I2 N2 S2 -","- C32 H44 Cu4 I4 N4 S4 -","2","0.5","","Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.","Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer","Inorganic Chemistry Frontiers","2019","6","3","671","","10.1039/C8QI01302K","","","0.71073","MoKα","","0.0416","0.0354","","","0.0828","0.0865","","","","","","1.038","","","","has coordinates","236993","2020-10-21","18:00:00",""
"4349976","9.919","0.0005","9.0927","0.0006","13.9818","0.0008","90","","95.811","0.002","90","","1254.55","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine (3:2)","","- C16 H22 Cu3 I3 N2 S2 -","- C16 H22 Cu3 I3 N2 S2 -","- C32 H44 Cu6 I6 N4 S4 -","2","0.5","","Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.","Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer","Inorganic Chemistry Frontiers","2019","6","3","671","","10.1039/C8QI01302K","","","0.71073","MoKα","","0.0402","0.0246","","","0.0453","0.0522","","","","","","1.083","","","","has coordinates","236993","2020-10-21","18:00:00",""
"4349977","18.429","0.003","18.429","0.003","15.739","0.003","90","","90","","120","","4629.3","1.4","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C25 H43 Cl Cu2 N8 O10 -","- C9 H3 Cl Cu2 N4 O6 -","- C54 H18 Cl6 Cu12 N24 O36 -","6","0.5","","Yuan, Jiaqi; Li, Jiantang; Che, Songtian; Li, Guanghua; Liu, Xinyao; Sun, Xiaodong; Zou, Lifei; Zhang, Lirong; Liu, Yunling","Two unique copper cluster-based metal‒organic frameworks with high performance for CO2 adsorption and separation","Inorganic Chemistry Frontiers","2019","6","2","556","","10.1039/C8QI01315B","","","0.71073","MoKα","","0.049","0.0383","","","0.1321","0.1358","","","","","","1.115","","","","has coordinates,has disorder","236995","2020-10-21","18:00:00",""
"4349978","12.009","0.002","11.479","0.002","16.743","0.003","90","","93.26","0.03","90","","2304.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu4 N12 O16 -","- C20 H8 Cu4 N8 O12 -","- C40 H16 Cu8 N16 O24 -","2","0.5","","Yuan, Jiaqi; Li, Jiantang; Che, Songtian; Li, Guanghua; Liu, Xinyao; Sun, Xiaodong; Zou, Lifei; Zhang, Lirong; Liu, Yunling","Two unique copper cluster-based metal‒organic frameworks with high performance for CO2 adsorption and separation","Inorganic Chemistry Frontiers","2019","6","2","556","","10.1039/C8QI01315B","","","0.71073","MoKα","","0.0349","0.0292","","","0.0909","0.0921","","","","","","1.17","","","","has coordinates,has disorder","236995","2020-10-21","18:00:00",""
"4349979","6.9739","0.0006","9.0675","0.0007","13.0622","0.0009","99.133","0.006","92.117","0.006","104.301","0.007","787.75","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 Br Cl Dy N4 O4 -","- C13 H12 Br Cl Dy N4 O4 -","- C26 H24 Br2 Cl2 Dy2 N8 O8 -","2","1","","Ji, Xiao-Qin; Ma, Fang; Xiong, Jin; Yang, Jing; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","A rare chloride-bridged dysprosium chain with slow magnetic relaxation: a thermally activated mechanism via a second-excited state promoted by magnetic interactions","Inorganic Chemistry Frontiers","2019","6","3","786","","10.1039/C8QI01331D","","","0.71073","MoKα","","0.0745","0.0527","","","0.0887","0.0978","","","","","","0.971","","","","has coordinates","236997","2020-10-21","18:00:00",""
"4349980","10.457","0.0006","14.5164","0.0009","14.8752","0.0009","68.952","0.001","81.764","0.001","87.595","0.001","2085.5","0.2","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Cd3 N4 O16 -","- C74 H66 Cd3 N4 O16 -","- C74 H66 Cd3 N4 O16 -","1","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0788","0.0577","","","0.185","0.205","","","","","","1.085","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349981","29.769","0.002","17.2176","0.0015","15.6463","0.0014","90","","98.13","0.003","90","","7938.9","1.1","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 Cd3 N6 O18 -","- C72 H72 Cd3 N6 O18 -","- C288 H288 Cd12 N24 O72 -","4","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0972","0.0642","","","0.1846","0.2039","","","","","","1.073","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349982","9.766","0.002","14.548","0.003","14.702","0.003","70.081","0.003","85.004","0.004","89.249","0.003","1956.1","0.7","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H64 Cd3 N4 O18 -","- C70 H64 Cd3 N4 O18 -","- C70 H64 Cd3 N4 O18 -","1","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0636","0.0506","","","0.168","0.1776","","","","","","1.099","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349983","9.6181","0.0011","14.5436","0.0016","14.7499","0.0016","70.015","0.002","85.621","0.002","89.318","0.002","1933.1","0.4","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 Cd3 N6 O18 -","- C78 H84 Cd3 N6 O18 -","- C78 H84 Cd3 N6 O18 -","1","0.5","","Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong","Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms","Inorganic Chemistry Frontiers","2019","6","5","1195","","10.1039/C8QI01332B","","","0.71073","MoKα","","0.0674","0.0531","","","0.1385","0.1498","","","","","","1.04","","","","has coordinates","236998","2020-10-21","18:00:00",""
"4349984","20.6353","0.0003","20.6353","0.0003","36.9677","0.0009","90","","90","","90","","15741.4","0.5","150","2","150","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C180 H64 Cl8 N16 Y2 -","- C180 H64 Cl8 N16 Y2 -","- C720 H256 Cl32 N64 Y8 -","4","0.25","","Wang, Chiming; Wang, Hailong; Liu, Chenxi; Qi, Dongdong; Jiang, Jianzhuang","Molecular assembly-induced charge transfer between a mixed (phthalocyaninato)(porphyrinato) yttrium triple-decker and a fullerene","Inorganic Chemistry Frontiers","2019","6","3","654","","10.1039/C8QI01340C","","","0.71073","MoKα","","0.1184","0.0698","","","0.1902","0.2084","","","","","","1.05","","","","has coordinates,has disorder","237000","2020-10-21","18:00:00",""
"4349985","20.9834","0.001","22.3764","0.0011","36.0227","0.0016","105.294","0.002","99.649","0.002","98.715","0.002","15739.6","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C231 H343 Dy12 N24 O86.75 -","- C231 H343 Dy12 N24 O86.75 -","- C462 H686 Dy24 N48 O173.5 -","2","1","","Rosado Piquer, Lidia; Escoda-Torroella, Mariona; Ledezma Gairaud, Marisol; Carneros, Saul; Daffé, Niéli; Studniarek, Michał; Dreiser, Jan; Wernsdorfer, Wolfgang; Sañudo, E. Carolina","Hysteresis enhancement on a hybrid Dy(iii) single molecule magnet/iron oxide nanoparticle system","Inorganic Chemistry Frontiers","2019","6","3","705","","10.1039/C8QI01346B","","","0.71073","MoKα","","0.0851","0.0586","","","0.1538","0.1785","","","","","","1.081","","","","has coordinates,has disorder","237001","2020-10-21","18:00:00",""
"4349986","27.3814","0.0009","27.3814","0.0009","71.344","0.005","90","","90","","120","","46323","4","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Al3 N0 O16 -","- C42 H22 Al3 O16 -","- C756 H396 Al54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.1165","0.0938","","","0.2277","0.2444","","","","","","1.131","","","","has coordinates","237003","2020-10-21","18:00:00",""
"4349987","27.3458","0.0004","27.3458","0.0004","72.965","0.002","90","","90","","120","","47252.7","1.6","153","2","153","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Ga3 N0 O16 -","- C42 H22 Ga3 O16 -","- C756 H396 Ga54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.0577","0.0488","","","0.1386","0.1415","","","","","","1.069","","","","has coordinates","237003","2020-10-21","18:00:00",""
"4349988","28.188","0.0006","28.188","0.0006","74.414","0.002","90","","90","","120","","51205","2","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 In3 O16 -","- C42 H22 In3 O16 -","- C756 H396 In54 O288 -","18","0.5","","Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo","A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation","Inorganic Chemistry Frontiers","2019","6","3","813","","10.1039/C8QI01396A","","","0.71073","MoKα","","0.1116","0.0759","","","0.2315","0.2736","","","","","","1.134","","","","has coordinates","237003","2020-10-21","18:00:00",""
"4349989","59.7742","0.0015","29.104","0.0006","13.6375","0.0005","90","","90","","90","","23724.7","1.2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C216 H160 Cu12 N8 O64 -","- C216 H160 Cu12 N8 O64 -","- C432 H320 Cu24 N16 O128 -","2","0.125","","Wang, Xia; Zhang, Xiurong; Zhang, Kai; Wang, Xiaokang; Wang, Yutong; Fan, Weidong; Dai, Fangna","Amino-functionalized Cu-MOF for efficient purification of methane from light hydrocarbons and excellent catalytic performance","Inorganic Chemistry Frontiers","2019","6","5","1152","","10.1039/C8QI01404C","","","1.54178","CuKα","","0.1219","0.093","","","0.2668","0.2955","","","","","","0.953","","","","has coordinates","237005","2020-10-21","18:00:00",""
"4349990","21.5586","0.0003","21.5586","0.0003","62.2218","0.0015","90","","90","","120","","25044.6","0.8","120","0.1","120","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H17 N9 O8 Zn2 -","- C26 H17 N9 O8 Zn2 -","- C468 H306 N162 O144 Zn36 -","18","0.5","","Li, Meiling; Ren, Guojian; Wang, Fuxiang; Li, Zhimeng; Yang, Weiting; Gu, Dongxu; Wang, Yinghui; Zhu, Guangshan; Pan, Qinhe","Two metal‒organic zeolites for highly sensitive and selective sensing of Tb3+","Inorganic Chemistry Frontiers","2019","6","5","1129","","10.1039/C8QI01406J","","","1.54178","CuKα","","0.1086","0.0961","","","0.3077","0.3234","","","","","","1.102","","","","has coordinates","237007","2020-10-21","18:00:00",""
"4349991","27.5369","0.0009","24.6251","0.0005","20.1958","0.0011","90","","90","","90","","13694.8","0.9","100.01","0.1","100.01","0.1","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C28 H21 N9 O8 Zn2 -","- C28 H21 N9 O8 Zn2 -","- C224 H168 N72 O64 Zn16 -","8","0.5","","Li, Meiling; Ren, Guojian; Wang, Fuxiang; Li, Zhimeng; Yang, Weiting; Gu, Dongxu; Wang, Yinghui; Zhu, Guangshan; Pan, Qinhe","Two metal‒organic zeolites for highly sensitive and selective sensing of Tb3+","Inorganic Chemistry Frontiers","2019","6","5","1129","","10.1039/C8QI01406J","","","1.54184","CuKα","","0.0924","0.0723","","","0.265","0.2949","","","","","","1.1","","","","has coordinates","237007","2020-10-21","18:00:00",""
"4349992","17.2759","0.0008","17.2759","0.0008","17.2759","0.0008","90","","90","","90","","5156.1","0.4","113","2","113","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C37 H45 Cl8 Fe3 N12 O4 S3 -","- C36.99 H39 Cl8 Fe3 N12 O4 S3 -","- C147.96 H156 Cl32 Fe12 N48 O16 S12 -","4","0.333333","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0399","0.0331","","","0.0828","0.0869","","","","","","1.026","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4349993","11.625","0.002","17.263","0.004","14.828","0.003","90","","104.359","0.004","90","","2882.8","1","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl Fe N10 O2 S2 -","- C18 H16 Cl Fe N10 O2 S2 -","- C72 H64 Cl4 Fe4 N40 O8 S8 -","4","1","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0501","0.0411","","","0.1123","0.1164","","","","","","1.07","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4349994","9.2489","0.0007","11.9004","0.001","13.3311","0.001","87.832","0.004","75.554","0.004","80.332","0.004","1400.71","0.19","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl4 Fe2 N8 O2 S2 -","- C20 H18 Cl4 Fe2 N8 O2 S2 -","- C40 H36 Cl8 Fe4 N16 O4 S4 -","2","1","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0307","0.0299","","","0.0817","0.0824","","","","","","1.052","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4349995","8.5468","0.0005","10.9507","0.0005","10.9914","0.0004","102.267","0.004","112.333","0.005","99.415","0.005","895.22","0.09","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H42 Cu Mo6 N8 O30 V2 -","- C6 H42 Cu Mo6 N8 O30 V2 -","- C6 H42 Cu Mo6 N8 O30 V2 -","1","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6‒ POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.0766","0.0445","","","0.0615","0.071","","","","","","0.934","","","","has coordinates,has disorder","237926","2020-10-21","18:00:00",""
"4349996","11.2569","0.0003","9.1947","0.0002","21.9132","0.0005","90","","99.328","0.002","90","","2238.11","0.09","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H54 Cu2 Mo6 N8 O36 V2 -","- C8 H54 Cu2 Mo6 N8 O36 V2 -","- C16 H108 Cu4 Mo12 N16 O72 V4 -","2","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6‒ POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.0573","0.0419","","","0.0942","0.1048","","","","","","1.043","","","","has coordinates","237926","2020-10-21","18:00:00",""
"4349997","11.8618","0.0008","23.2484","0.0012","15.7977","0.0008","90","","90","","90","","4356.5","0.4","298","","298","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C8 H48 Cu2 Mo6 N8 O33 V2 -","- C8 H48 Cu2 Mo6 N8 O33 V2 -","- C32 H192 Cu8 Mo24 N32 O132 V8 -","4","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkina, Svitlana V.; Jezierska, Julia; Pavliuk, Mariia V.; Shylin, Sergii I.","Copper-containing hybrid compounds based on extremely rare [V2Mo6O26]6‒ POM as water oxidation catalysts","Inorganic Chemistry Frontiers","2019","6","7","1813","","10.1039/C9QI00040B","","x-ray","0.71073","MoKα","","0.1731","0.0626","","","0.0937","0.1247","","","","","","0.954","","","","has coordinates,has disorder","237926","2020-10-21","18:00:00",""
"4349998","4.821","0.005","17.325","0.005","27.459","0.005","90","0.005","91.618","0.005","90","0.005","2293","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 N2 O11 Zn -","- C21 H11 N2 O11 Zn -","- C84 H44 N8 O44 Zn4 -","4","1","","Dhankhar, Sandeep Singh; Sharma, Nayuesh; Nagaraja, C. M.","Construction of bifunctional 2-fold interpenetrated Zn(ii) MOFs exhibiting selective CO2 adsorption and aqueous-phase sensing of 2,4,6-trinitrophenol","Inorganic Chemistry Frontiers","2019","6","4","1058","","10.1039/C9QI00044E","","","0.71073","MoKα","","0.0538","0.0399","","","0.11","0.1178","","","","","","1.045","","","","has coordinates","237928","2020-10-21","18:00:00",""
"4349999","10.082","0.005","13.637","0.005","20.12","0.005","90","0.005","97.575","0.005","90","0.005","2742.1","1.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H15 N3 O9 Zn -","- C27 H15 N3 O9 Zn -","- C108 H60 N12 O36 Zn4 -","4","1","","Dhankhar, Sandeep Singh; Sharma, Nayuesh; Nagaraja, C. M.","Construction of bifunctional 2-fold interpenetrated Zn(ii) MOFs exhibiting selective CO2 adsorption and aqueous-phase sensing of 2,4,6-trinitrophenol","Inorganic Chemistry Frontiers","2019","6","4","1058","","10.1039/C9QI00044E","","","0.71073","MoKα","","0.0923","0.0717","","","0.2297","0.2462","","","","","","1.079","","","","has coordinates","237928","2020-10-21","18:00:00",""
"4350000","20.294","0.0006","28.6311","0.0009","12.6951","0.0003","90","","94.094","0.002","90","","7357.5","0.4","110","0.6","110","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Br2 Cl4 Fe N10 O16 -","- C68 H74 Br2 Cl4 Fe N10 O16 -","- C272 H296 Br8 Cl16 Fe4 N40 O64 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Wu, Shu-Qi; Zhu, Xin; Zhang, Nan; Sato, Osamu; Kou, Hui-Zhong","Substituent effects on the fluorescent spin-crossover Fe(ii) complexes of rhodamine 6G hydrazones","Inorganic Chemistry Frontiers","2019","6","5","1170","","10.1039/C9QI00111E","","x-ray","1.54184","CuKα","","0.1012","0.0925","","","0.2547","0.2662","","","","","","1.045","","","","has coordinates,has disorder","237931","2020-10-21","18:00:00",""
"4350001","20.3424","0.0006","28.66","0.0009","12.6888","0.0003","90","","94.166","0.002","90","","7378.2","0.4","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Br2 Cl4 Fe N10 O16 -","- C68 H74 Br2 Cl4 Fe N10 O16 -","- C272 H296 Br8 Cl16 Fe4 N40 O64 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Wu, Shu-Qi; Zhu, Xin; Zhang, Nan; Sato, Osamu; Kou, Hui-Zhong","Substituent effects on the fluorescent spin-crossover Fe(ii) complexes of rhodamine 6G hydrazones","Inorganic Chemistry Frontiers","2019","6","5","1170","","10.1039/C9QI00111E","","","1.54184","CuKα","","0.1101","0.0932","","","0.2602","0.2802","","","","","","1.019","","","","has coordinates,has disorder","237931","2020-10-21","18:00:00",""
"4350002","11.1308","0.0006","27.8856","0.0014","22.265","0.002","90","","103.407","0.008","90","","6722.5","0.8","173.01","0.1","173.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H73.5 Cl2 Fe N10 O15.75 -","- C66 H70 Cl2 Fe N10 O15.75 -","- C264 H280 Cl8 Fe4 N40 O63 -","4","1","","Yuan, Juan; Liu, Mei-Jiao; Wu, Shu-Qi; Zhu, Xin; Zhang, Nan; Sato, Osamu; Kou, Hui-Zhong","Substituent effects on the fluorescent spin-crossover Fe(ii) complexes of rhodamine 6G hydrazones","Inorganic Chemistry Frontiers","2019","6","5","1170","","10.1039/C9QI00111E","","x-ray","1.54184","CuKα","","0.1443","0.1048","","","0.2835","0.3135","","","","","","1.046","","","","has coordinates","237931","2020-10-21","18:00:00",""
"4350003","13.3187","0.0007","17.8256","0.0013","19.9502","0.0011","108.363","0.006","93.931","0.005","97.687","0.005","4423.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 F12 N7 P2 Ru -","- C43 H29 F12 N7 P2 Ru -","- C172 H116 F48 N28 P8 Ru4 -","4","2","","Gillard, Martin; Laramée-Milette, Baptiste; Deraedt, Quentin; Hanan, Garry S.; Loiseau, Fredérique; Dejeu, Jérôme; Defrancq, Eric; Elias, Benjamin; Marcélis, Lionel","Photodetection of DNA mismatches by dissymmetric Ru(ii) acridine based complexes","Inorganic Chemistry Frontiers","2019","6","9","2260","","10.1039/C9QI00133F","","","0.71073","MoKα","","0.1233","0.0889","","","0.1817","0.1989","","","","","","1.089","","","","has coordinates,has disorder","237933","2020-10-21","18:00:00",""
"4350004","9.2942","0.0001","10.3734","0.0001","13.3197","0.0002","89.528","0.001","85.318","0.001","84.698","0.001","1274.42","0.03","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Co N4 O4 P4 S2 -","- C54 H54 Co N4 O4 P4 S2 -","- C54 H54 Co N4 O4 P4 S2 -","1","0.5","","Ferentinos, Eleftherios; Xu, Meixing; Grigoropoulos, Alexios; Bratsos, Ioannis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Jiang, Shang-Da; Kyritsis, Panayotis","Field-induced slow relaxation of magnetization in the S = 3/2 octahedral complexes trans-[Co{(OPPh2)(EPPh2)N}2(dmf)2], E = S, Se: effects of Co‒Se vs. Co‒S coordination","Inorganic Chemistry Frontiers","2019","6","6","1405","","10.1039/C9QI00135B","","","1.54178","CuKα","","0.0496","0.0442","","","0.1119","0.119","","","","","","1.064","","","","has coordinates","237934","2020-10-21","18:00:00",""
"4350005","9.2622","0.0002","10.4256","0.0002","13.4612","0.0003","89.423","0.001","85.697","0.001","85.389","0.001","1292","0.05","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Co N4 O4 P4 Se2 -","- C54 H54 Co N4 O4 P4 Se2 -","- C54 H54 Co N4 O4 P4 Se2 -","1","0.5","","Ferentinos, Eleftherios; Xu, Meixing; Grigoropoulos, Alexios; Bratsos, Ioannis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Jiang, Shang-Da; Kyritsis, Panayotis","Field-induced slow relaxation of magnetization in the S = 3/2 octahedral complexes trans-[Co{(OPPh2)(EPPh2)N}2(dmf)2], E = S, Se: effects of Co‒Se vs. Co‒S coordination","Inorganic Chemistry Frontiers","2019","6","6","1405","","10.1039/C9QI00135B","","","1.54178","CuKα","","0.0335","0.0317","","","0.0734","0.0751","","","","","","1.04","","","","has coordinates","237934","2020-10-21","18:00:00",""
"4350006","14.6802","0.0006","16.8579","0.0009","16.1761","0.0007","90","","96.378","0.003","90","","3978.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H49 Cl4 N12 O19 Zn4 -","- C77 H49 Cl4 N12 O19 Zn4 -","- C154 H98 Cl8 N24 O38 Zn8 -","2","0.5","","Dutta, Basudeb; Das, Dhananjoy; Datta, Joydeep; Chandra, Angeera; Jana, Srikanta; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis of a Zn(ii)-based 1D zigzag coordination polymer for the fabrication of optoelectronic devices with remarkably high photosensitivity","Inorganic Chemistry Frontiers","2019","6","5","1245","","10.1039/C9QI00162J","","","0.71073","MoKα","","0.0461","0.0357","","","0.0962","0.1024","","","","","","1.028","","","","has coordinates","237936","2020-10-21","18:00:00",""
"4350007","18.7125","0.001","18.7125","0.001","38.299","0.003","90","","90","","120","","11614","1.3","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H14 Cu2 N2 O10 -","- C21 H14 Cu2 N2 O10 -","- C189 H126 Cu18 N18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yang, Luyao; Zou, Ying; Xia, Fengjie; Wang, Xia; Wang, Xiaojuan; He, Yabing","Incorporation of bifunctional aminopyridine into an NbO-type MOF for the markedly enhanced adsorption of CO2 and C2H2 over CH4","Inorganic Chemistry Frontiers","2019","6","5","1177","","10.1039/C9QI00195F","","","0.71073","MoKα","","0.0508","0.0465","","","0.203","0.217","","","","","","1.016","","","","has coordinates,has disorder","237937","2020-10-21","18:00:00",""
"4350008","25.0169","0.0009","25.2369","0.0008","22.522","0.0006","90","","90","","90","","14219.2","0.8","273","2","273","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H74 Cu5 I4 N44 O16 -","- C33 H28 Cu5 I4 N5 O4 -","- C264 H224 Cu40 I32 N40 O32 -","8","1","","Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling","Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release","Inorganic Chemistry Frontiers","2019","6","5","1261","","10.1039/C9QI00233B","","","0.71073","MoKα","","0.1089","0.0674","","","0.2005","0.2514","","","","","","1.018","","","","has coordinates,has disorder","237939","2020-10-21","18:00:00",""
"4350009","39.189","0.005","39.189","0.005","39.189","0.005","90","","90","","90","","60186","13","293","2","293","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","","","","- C423 H491 Cu52 I38 N71 O83 -","- C336 H288 Cu52 I38 N40 O60 -","- C1344 H1152 Cu208 I152 N160 O240 -","4","0.0416667","","Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling","Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release","Inorganic Chemistry Frontiers","2019","6","5","1261","","10.1039/C9QI00233B","","","0.71073","MoKα","","0.0817","0.0619","","","0.1832","0.195","","","","","","1.012","","","","has coordinates","237939","2020-10-21","18:00:00",""
"4350010","11.2219","0.0004","13.5403","0.0004","18.5761","0.0006","81.02","0.002","82.265","0.003","82.701","0.003","2746.37","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 Cl3 Eu N8 O21 -","- C45 H63 Cl3 Eu N8 O21 -","- C90 H126 Cl6 Eu2 N16 O42 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","1.54178","CuKα","","0.0662","0.063","","","0.1712","0.1741","","","","","","1.049","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350011","11.0673","0.0006","14.9385","0.0007","16.8102","0.0007","108.393","0.004","107.089","0.004","92.161","0.004","2494.6","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cl2 Eu N9 O17 -","- C44 H56 Cl2 Eu N9 O17 -","- C88 H112 Cl4 Eu2 N18 O34 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0681","0.0583","","","0.1515","0.1596","","","","","","1.059","","","","has coordinates,has disorder","237942","2020-10-21","18:00:00",""
"4350012","10.7892","0.0003","13.9796","0.0004","17.7479","0.0003","73.24","0.002","82.841","0.002","72.131","0.003","2437.62","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 Dy N9 O16 -","- C44 H54 Cl2 Dy N9 O16 -","- C88 H108 Cl4 Dy2 N18 O32 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0783","0.0659","","","0.1655","0.1775","","","","","","1.065","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350013","11.1117","0.0007","14.8294","0.0007","17.051","0.001","109.676","0.005","104.801","0.006","93.316","0.004","2525.7","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H58 Cl2 N9 O17 Tb -","- C45 H58 Cl2 N9 O17 Tb -","- C90 H116 Cl4 N18 O34 Tb2 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","1.54178","CuKα","","0.0921","0.0732","","","0.1965","0.2107","","","","","","1.086","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350014","11.0699","0.0003","14.8478","0.0005","17.1169","0.0006","109.272","0.003","104.997","0.003","93.227","0.002","2534.12","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H56 Cl2 N9 O16 Sm -","- C45 H56 Cl2 N9 O16 Sm -","- C90 H112 Cl4 N18 O32 Sm2 -","2","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0651","0.0588","","","0.1576","0.1655","","","","","","1.031","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350015","17.7872","0.0005","15.8545","0.0004","18.2894","0.0005","90","","90.718","0.002","90","","5157.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Cl3 N8 O11 Tb -","- C44 H64 Cl3 N8 O11 Tb -","- C176 H256 Cl12 N32 O44 Tb4 -","4","1","","Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu","Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands","Inorganic Chemistry Frontiers","2019","6","6","1442","","10.1039/C9QI00238C","","","0.71073","MoKα","","0.0588","0.0472","","","0.1182","0.1262","","","","","","1.071","","","","has coordinates","237942","2020-10-21","18:00:00",""
"4350016","18.739","0.016","19.326","0.016","14.495","0.012","90","","109.52","0.01","90","","4948","7","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B20 Cs12 O40 Zn4 -","- B20 Cs12 O40 Zn4 -","- B80 Cs48 O160 Zn16 -","4","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, AbuduKadi; Yang, Zhihua; Yu, H. H.; Pan, Shilie","From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X3ZnB5O10 (X = Na, K, Rb) and Cs12Zn4(B5O10)4 crystals","Inorganic Chemistry Frontiers","2019","6","6","1461","","10.1039/C9QI00285E","","","0.71073","MoKα","","0.0796","0.0537","","","0.0941","0.1068","","","","","","1.018","","","","has coordinates","237944","2020-10-21","18:00:00",""
"4350017","22.7792","0.0007","12.6008","0.0003","23.8919","0.0007","90","","111.325","0.003","90","","6388.3","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N10 O24 Pr4 Re6 S8 -","- C30 H20 N10 O24 Pr4 Re6 S8 -","- C120 H80 N40 O96 Pr16 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0366","0.0292","","","0.0697","0.0721","","","","","","1.019","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350018","22.8344","0.0004","12.5424","0.0002","23.8734","0.0004","90","","111.117","0.002","90","","6378.2","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N11 Nd4 O22 Re6 S8 -","- C33 H23 N11 Nd4 O22 Re6 S8 -","- C132 H92 N44 Nd16 O88 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0443","0.0311","","","0.0651","0.0688","","","","","","1.019","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350019","22.6022","0.0007","12.3896","0.0003","23.5464","0.0007","90","","110.93","0.004","90","","6158.7","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N10 O24 Re6 S8 Tb4 -","- C30 H20 N10 O24 Re6 S8 Tb4 -","- C120 H80 N40 O96 Re24 S32 Tb16 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0355","0.0291","","","0.0717","0.0743","","","","","","1.034","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350020","22.5433","0.0012","12.3603","0.0006","23.5047","0.0013","90","","110.435","0.006","90","","6137.2","0.6","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ho4 N10 O23 Re6 S8 -","- C30 H20 Ho4 N10 O23 Re6 S8 -","- C120 H80 Ho16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0385","0.0341","","","0.074","0.0759","","","","","","1.096","","","","has coordinates","237947","2020-10-21","18:00:00",""
"4350021","22.754","0.0004","12.52642","0.00019","23.7189","0.0004","90","","111.036","0.002","90","","6310","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N10 O24 Re6 S8 Sm4 -","- C30 H20 N10 O24 Re6 S8 Sm4 -","- C120 H80 N40 O96 Re24 S32 Sm16 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0303","0.0277","","","0.0695","0.0707","","","","","","1.056","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350022","22.5236","0.0007","12.3713","0.0003","23.4758","0.0007","90","","110.565","0.003","90","","6124.6","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Dy4 N10 O21 Re6 S8 -","- C30 H20 Dy4 N10 O21 Re6 S8 -","- C120 H80 Dy16 N40 O84 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1303","0.1321","","","","","","1.288","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350023","22.6751","0.0009","12.4275","0.0006","23.6074","0.001","90","","110.903","0.003","90","","6214.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Gd4 N10 O23 Re6 S8 -","- C30 H20 Gd4 N10 O23 Re6 S8 -","- C120 H80 Gd16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","","0.80246","synchrotron","","0.0432","0.0382","","","0.0986","0.1011","","","","","","1.033","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350024","22.459","0.004","12.321","0.002","23.42","0.003","90","","110.27","0.008","90","","6079.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Er4 N10 O23 Re6 S8 -","- C30 H20 Er4 N10 O23 Re6 S8 -","- C120 H80 Er16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","","0.80246","synchrotron","","0.044","0.0413","","","0.1076","0.1098","","","","","","1.057","","","","has coordinates","237947","2020-10-21","18:00:00",""
"4350025","22.6868","0.0015","12.4553","0.0011","23.6524","0.0017","90","","110.984","0.003","90","","6240.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Eu4 N10 O23 Re6 S8 -","- C30 H20 Eu4 N10 O23 Re6 S8 -","- C120 H80 Eu16 N40 O92 Re24 S32 -","4","1","","Litvinova, Yulia M.; Gayfulin, Yakov M.; van Leusen, Jan; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Kögerler, Paul; Mironov, Yuri V.","Metal‒organic frameworks based on polynuclear lanthanide complexes and octahedral rhenium clusters","Inorganic Chemistry Frontiers","2019","6","6","1518","","10.1039/C9QI00339H","","","0.80246","synchrotron","","0.0373","0.0363","","","0.0932","0.094","","","","","","1.089","","","","has coordinates,has disorder","237947","2020-10-21","18:00:00",""
"4350026","13.68397","0.00019","13.68397","0.00019","15.0654","0.0003","90","","90","","90","","2821.01","0.08","99.7","0.6","99.7","0.6","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0305","0.0281","","","0.0665","0.0676","","","","","","1.173","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350027","13.69968","0.00018","13.69968","0.00018","15.0187","0.0003","90","","90","","90","","2818.73","0.08","299","2","299","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0343","0.0322","","","0.0827","0.084","","","","","","1.172","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350028","13.6944","0.0002","13.6944","0.0002","15.0329","0.0004","90","","90","","90","","2819.22","0.09","250","0.6","250","0.6","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0303","0.0272","","","0.067","0.0685","","","","","","1.133","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350029","13.6875","0.0002","13.6875","0.0002","15.0535","0.0003","90","","90","","90","","2820.24","0.08","150","0.7","150","0.7","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0303","0.0278","","","0.0699","0.0711","","","","","","1.177","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350030","13.6914","0.0002","13.6914","0.0002","15.0409","0.0004","90","","90","","90","","2819.48","0.09","199","2","199","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H24 O28 Si Zn8 -","- C48 H24 O28 Si Zn8 -","- C96 H48 O56 Si2 Zn16 -","2","0.25","","Liu, Zhanning; Jiang, Xingxing; Wang, Chiming; Liu, Chenxi; Lin, Zheshuai; Deng, Jinxia; Chen, Jun; Xing, Xianran","Near-zero thermal expansion coordinated with geometric flexibility and π⋯π interaction in anisotropic [Zn8(SiO4)(m-BDC)6]n","Inorganic Chemistry Frontiers","2019","6","7","1675","","10.1039/C9QI00354A","","","1.54184","CuKα","","0.0305","0.0279","","","0.0695","0.0709","","","","","","1.182","","","","has coordinates","237950","2020-10-21","18:00:00",""
"4350031","29.2975","0.0013","8.137","0.0003","22.1923","0.0009","90","","126.24","0.001","90","","4267","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H24 Bi Br6 N3 -","- C9 H24 Bi Br6 N3 -","- C72 H192 Bi8 Br48 N24 -","8","1","","Yang, Tao; Teng, Bing; Han, Shiguo; Li, Maofan; Xu, Zhiyun; Li, Yaobin; Liu, Yi; Luo, Junhua; Sun, Zhihua","Structural phase transition and dielectric anisotropy properties of a lead-free organic‒inorganic hybrid","Inorganic Chemistry Frontiers","2019","6","7","1761","","10.1039/C9QI00365G","","","0.71073","MoKα","","0.0283","0.0228","","","0.0575","0.0711","","","","","","1.16","","","","has coordinates","237952","2020-10-21","18:00:00",""
"4350032","22.2211","0.0005","8.3379","0.0002","12.2913","0.0003","90","","103.866","0.001","90","","2210.94","0.09","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H24 Bi Br6 N3 -","- C9 H24 Bi Br6 N3 -","- C36 H96 Bi4 Br24 N12 -","4","0.5","","Yang, Tao; Teng, Bing; Han, Shiguo; Li, Maofan; Xu, Zhiyun; Li, Yaobin; Liu, Yi; Luo, Junhua; Sun, Zhihua","Structural phase transition and dielectric anisotropy properties of a lead-free organic‒inorganic hybrid","Inorganic Chemistry Frontiers","2019","6","7","1761","","10.1039/C9QI00365G","","","0.71073","MoKα","","0.0669","0.0471","","","0.1297","0.1444","","","","","","1.091","","","","has coordinates","237952","2020-10-21","18:00:00",""
"4350033","8.4551","0.0006","13.8353","0.0011","25.1199","0.0019","90","","96.7756","0.0016","90","","2918","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 B Co2 F4 O3 S2 -","- C26 H43 B Co2 F4 O3 S2 -","- C104 H172 B4 Co8 F16 O12 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0578","0.0536","","","0.1375","0.1401","","","","","","1.026","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350034","20.2675","0.0009","11.2385","0.0005","15.4741","0.0007","90","","104.843","0.001","90","","3407","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Co2 F6 N O2 P S2 -","- C29 H50 Co2 F6 N O2 P S2 -","- C116 H200 Co8 F24 N4 O8 P4 S8 -","4","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0431","0.0414","","","0.1195","0.121","","","","","","1.035","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350035","18.7475","0.0006","12.8019","0.0004","10.6678","0.0003","90","","93.166","0.001","90","","2556.4","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H40 Co2 O3 S2 -","- C25 H40 Co2 O3 S2 -","- C100 H160 Co8 O12 S8 -","4","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0334","0.0315","","","0.0945","0.0957","","","","","","1.064","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350036","8.5889","0.0004","14.0677","0.0007","25.989","0.0012","90","","98.025","0.001","90","","3109.4","0.3","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Co2 F6 O3 P S2 -","- C26 H43 Co2 F6 O3 P S2 -","- C104 H172 Co8 F24 O12 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0971","0.0623","","","0.1328","0.1441","","","","","","1.043","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350037","8.0243","0.0007","15.9984","0.0013","10.5134","0.0009","90","","111.481","0.002","90","","1255.92","0.19","223","2","223","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C24 H40 Co2 S2 -","- C24 H40 Co2 S2 -","- C48 H80 Co4 S4 -","2","0.5","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0559","0.0486","","","0.131","0.1338","","","","","","1.19","","","","has coordinates,has disorder","237955","2020-10-21","18:00:00",""
"4350038","15.3556","0.0009","11.3607","0.0006","20.2644","0.0011","90","","108.549","0.001","90","","3351.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Co2 F6 N O2 P S2 -","- C28 H47 Co2 F6 N O2 P S2 -","- C112 H188 Co8 F24 N4 O8 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0405","0.0379","","","0.1083","0.1102","","","","","","0.988","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350039","16.2996","0.001","8.8769","0.0005","24.0942","0.0014","90","","94.178","0.001","90","","3476.9","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Co2 F6 N O2 P S2 -","- C29 H50 Co2 F6 N O2 P S2 -","- C116 H200 Co8 F24 N4 O8 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.046","0.045","","","0.1228","0.1235","","","","","","1.057","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350040","8.6079","0.0006","14.3633","0.001","25.9474","0.0019","90","","96.4298","0.0014","90","","3187.9","0.4","190","2","190","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 Co2 F6 N0 O3 P S2 -","- C27 H45 Co2 F6 O3 P S2 -","- C108 H180 Co8 F24 O12 P4 S8 -","4","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0434","0.0417","","","0.1128","0.1137","","","","","","1.063","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350041","8.595","0.0005","11.961","0.0007","14.2279","0.0008","76.476","0.001","86.43","0.001","88.239","0.001","1419.18","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 B Co2 F4 O3 S2 -","- C25 H41 B Co2 F4 O3 S2 -","- C50 H82 B2 Co4 F8 O6 S4 -","2","1","","Wu, Hui; Li, Jianzhe; Yang, Dawei; Tong, Peng; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","CO2 fixation and transformation on a thiolate-bridged dicobalt scaffold under oxidising conditions","Inorganic Chemistry Frontiers","2019","6","8","2185","","10.1039/C9QI00423H","","","0.71073","MoKα","","0.0344","0.033","","","0.0959","0.0968","","","","","","1.04","","","","has coordinates","237955","2020-10-21","18:00:00",""
"4350042","29.56","0.003","11.5592","0.0014","9.7924","0.0011","90","","90","","90","","3346","0.6","143","2","143","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Ni(12-TMC)(NO3)](NO3)","","","- C36 H48 B N5 Ni O3 -","- C36 H48 B N5 Ni O3 -","- C144 H192 B4 N20 Ni4 O12 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.0881","0.0549","","","0.1267","0.1435","","","","","","0.966","","","","has coordinates","237957","2020-10-21","18:00:00",""
"4350043","11.6991","0.0007","9.8702","0.0006","30.3175","0.0016","90","","97.873","0.002","90","","3467.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(Me6-trien)(NO3)](BPh4)","","","- C36 H50 B N5 Ni O3 -","- C36 H50 B N5 Ni O3 -","- C144 H200 B4 N20 Ni4 O12 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.0896","0.0644","","","0.1341","0.1457","","","","","","1.094","","","","has coordinates","237957","2020-10-21","18:00:00",""
"4350044","35.547","0.002","11.683","0.0007","9.281","0.0006","90","","90","","90","","3854.4","0.4","133","2","133","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Ni(Me6-trien](ClO4)(BPh4)((CH3)2CO)","","","- C39 H56 B Cl N4 Ni O5 -","- C39 H56 B Cl N4 Ni O5 -","- C156 H224 B4 Cl4 N16 Ni4 O20 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.1039","0.0725","","","0.1426","0.1546","","","","","","1.146","","","","has coordinates","237957","2020-10-21","18:00:00",""
"4350045","9.7176","0.0008","10.6577","0.0006","18.0389","0.0012","90","","90","","90","","1868.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 Zn -","- C17 H24 Cl2 N2 Zn -","- C68 H96 Cl8 N8 Zn4 -","4","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.71073","MoKα","","0.0452","0.0262","","","0.0648","0.0682","","","","","","1.036","","","","has coordinates","237959","2020-10-21","18:00:00",""
"4350046","11.1816","0.0009","12.7406","0.0012","13.2577","0.0013","90","","90","","90","","1888.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 Zn -","- C17 H24 Cl2 N2 Zn -","- C68 H96 Cl8 N8 Zn4 -","4","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.71073","MoKα","","0.0421","0.0347","","","0.1163","0.1292","","","","","","1.175","","","","has coordinates","237959","2020-10-21","18:00:00",""
"4350047","12.7939","0.0015","13.5872","0.001","13.4322","0.0009","90","","93.677","0.008","90","","2330.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H50 Cl10 N4 Zn2 -","- C36 H50 Cl10 N4 Zn2 -","- C72 H100 Cl20 N8 Zn4 -","2","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.7107","MoKα","","0.0713","0.0497","","","0.164","0.1951","","","","","","1.139","","","","has coordinates,has disorder","237959","2020-10-21","18:00:00",""
"4350048","17.67","0.003","17.67","0.003","8.0543","0.0016","90","","90","","90","","2514.8","0.8","150","","150","","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C30 H12 Fe3 N2 O17.64 S -","- C30 H12 Fe3 N2 O17.64 S -","- C60 H24 Fe6 N4 O35.28 S2 -","2","0.125","","Tu, Thach N.; Nguyen, Huong T. D.; Tran, Nhung Thi","Tailoring the pore size and shape of the one-dimensional channels in iron-based MOFs for enhancing the methane storage capacity","Inorganic Chemistry Frontiers","2019","6","9","2441","","10.1039/C9QI00543A","","","1.54178","CuKα","","0.1807","0.1424","","","0.3451","0.37","","","","","","1.606","","","","has coordinates","237961","2020-10-21","18:00:00",""
"4350049","15.7067","0.0015","18.4252","0.0018","8.8199","0.0008","90","","90","","90","","2552.5","0.4","123","","123","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H26 Fe N6 S2 -","- C26 H26 Fe N6 S2 -","- C104 H104 Fe4 N24 S8 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0447","0.0335","","","0.0656","0.0698","","","","","","1.029","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350050","8.9005","0.0006","35.872","0.002","9.8596","0.0006","90","","115.085","0.002","90","","2851","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Fe N6 S2 -","- C30 H30 Fe N6 S2 -","- C120 H120 Fe4 N24 S8 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71076","MoKα","","0.0934","0.0527","","","0.085","0.0959","","","","","","1.0751","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350051","23.453","0.003","18.8759","0.0018","18.3057","0.0018","90","","101.887","0.003","90","","7930.1","1.5","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H96 B6 Fe3 N18 -","- C78 H96 B6 Fe3 N18 -","- C312 H384 B24 Fe12 N72 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.1931","0.0621","","","0.105","0.1488","","","","","","0.918","","","","has coordinates,has disorder","237963","2020-10-21","18:00:00",""
"4350052","36.267","0.003","8.7886","0.0005","18.2623","0.0011","90","","90","","90","","5820.9","0.7","173","2","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H30 Fe N6 S2 -","- C30 H30 Fe N6 S2 -","- C240 H240 Fe8 N48 S16 -","8","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0292","0.0241","","","0.0564","0.0581","","","","","","1.027","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350053","9.0702","0.0008","17.6164","0.0014","17.5397","0.0015","90","","95.001","0.003","90","","2791.9","0.4","123","2","123.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 Fe N6 -","- C30 H36 B2 Fe N6 -","- C120 H144 B8 Fe4 N24 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0459","0.0368","","","0.0777","0.0802","","","","","","1.111","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350054","9.1122","0.001","18.0717","0.0016","18.077","0.0018","90","","93.971","0.004","90","","2969.6","0.5","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 Fe N6 -","- C30 H36 B2 Fe N6 -","- C120 H144 B8 Fe4 N24 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0633","0.0409","","","0.0856","0.0923","","","","","","1.063","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350055","9.1025","0.0006","17.8172","0.0013","17.8861","0.0012","90","","92.747","0.003","90","","2897.5","0.3","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Fe N6 Se2 -","- C30 H30 Fe N6 Se2 -","- C120 H120 Fe4 N24 Se8 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.032","0.027","","","0.0609","0.063","","","","","","1.044","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350056","18.954","0.002","15.8604","0.0019","8.7328","0.0009","90","","90","","90","","2625.2","0.5","123","2","123","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C26 H26 Fe N6 Se2 -","- C26 H26 Fe N6 Se2 -","- C104 H104 Fe4 N24 Se8 -","4","1","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.1449","0.0847","","","0.1618","0.1843","","","","","","1.118","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350057","17.4552","0.0005","10.5988","0.0003","24.3721","0.0006","90","","109.215","0.001","90","","4257.7","0.2","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Cl6 Dy N5 O4 -","- C45 H34 Cl6 Dy N5 O4 -","- C180 H136 Cl24 Dy4 N20 O16 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","","0.71073","MoKα","","0.068","0.0378","","","0.0801","0.0913","","","","","","1.054","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350058","18.39","0.04","11.17","0.02","25.9","0.05","90","","108.69","0.03","90","","5040","17","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Br6 Dy N5 O4 -","- C45 H35 Br6 Dy N5 O4 -","- C180 H140 Br24 Dy4 N20 O16 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","","0.71073","MoKα","","0.0654","0.0419","","","0.115","0.1317","","","","","","1.016","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350059","10.3824","0.0005","18.8386","0.0011","21.0988","0.0013","90","","99.618","0.002","90","","4068.7","0.4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Br2 Dy N8 O11 -","- C39 H35 Br2 Dy N8 O11 -","- C156 H140 Br8 Dy4 N32 O44 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","","0.71073","MoKα","","0.0669","0.0407","","","0.0921","0.105","","","","","","1.084","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350060","17.7059","0.0006","18.3642","0.0004","13.6199","0.0004","90","","111.014","0.004","90","","4134","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Br6 Cl Dy N4 O3 -","- C40 H28 Br6 Cl Dy N4 O3 -","- C160 H112 Br24 Cl4 Dy4 N16 O12 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei","A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet","Inorganic Chemistry Frontiers","2019","6","10","2906","","10.1039/C9QI00582J","","x-ray","0.71073","MoKα","","0.05","0.0334","","","0.0649","0.0712","","","","","","1.063","","","","has coordinates","237965","2020-10-21","18:00:00",""
"4350061","11.1835","0.0005","13.2011","0.0005","43.0944","0.0018","90","","91.9","0.001","90","","6358.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H124 Er2 N26 O35.4 P4 W2 -","- C108.6 H124 Er2 N26 O35.4 P4 W2 -","- C217.2 H248 Er4 N52 O70.8 P8 W4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.0906","0.0589","","","0.1055","0.1136","","","","","","1.165","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350062","11.1666","0.0003","13.1043","0.0004","43.0681","0.0013","90","","92.06","0.001","90","","6298.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H124 N26 O35.4 P4 W2 Yb2 -","- C108.6 H124 N26 O35.4 P4 W2 Yb2 -","- C217.2 H248 N52 O70.8 P8 W4 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.1273","0.0944","","","0.1625","0.1708","","","","","","1.402","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350063","11.1462","0.0013","13.0441","0.0017","42.861","0.005","90","","92.511","0.003","90","","6225.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104.6 H86 N26 O34 P4 W2 Yb2 -","- C104.6 H86 N26 O34 P4 W2 Yb2 -","- C209.2 H172 N52 O68 P8 W4 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.1622","0.1077","","","0.1742","0.1874","","","","","","1.27","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350064","11.1351","0.0011","13.0368","0.0013","42.691","0.004","90","","93.43","0.002","90","","6186.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104.6 H86 Mo2 N26 O34 P4 Yb2 -","- C104.6 H86 Mo2 N26 O34 P4 Yb2 -","- C209.2 H172 Mo4 N52 O68 P8 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.1329","0.121","","","0.2571","0.2614","","","","","","1.461","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350065","11.1828","0.0004","13.1725","0.0005","43.058","0.0016","90","","91.951","0.001","90","","6339","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H128 Mo2 N26 O35.4 P4 Yb2 -","- C108.6 H128 Mo2 N26 O35.4 P4 Yb2 -","- C217.2 H256 Mo4 N52 O70.8 P8 Yb4 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.0637","0.0487","","","0.0893","0.0934","","","","","","1.181","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350066","11.1793","0.0003","13.1976","0.0004","43.0696","0.0013","90","","91.918","0.001","90","","6350.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108.6 H128 Er2 Mo2 N26 O35.4 P4 -","- C108.6 H128 Er2 Mo2 N26 O35.4 P4 -","- C217.2 H256 Er4 Mo4 N52 O70.8 P8 -","2","0.5","","Jankowski, Robert; Zakrzewski, Jakub J.; Surma, Olga; Ohkoshi, Shin-ichi; Chorazy, Szymon; Sieklucka, Barbara","Near-infrared emissive Er(iii) and Yb(iii) molecular nanomagnets in metal‒organic chains functionalized by octacyanidometallates(iv)","Inorganic Chemistry Frontiers","2019","6","9","2423","","10.1039/C9QI00583H","","x-ray","0.71073","MoKα","","0.0625","0.0531","","","0.1012","0.1038","","","","","","1.286","","","","has coordinates,has disorder","237968","2020-10-21","18:00:00",""
"4350067","37.4445","0.0004","37.4445","0.0004","42.9264","0.0005","90","","90","","120","","52123.2","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C152 H52 Cl0 N12 O0 Tb -","- C152 H52 N12 Tb -","- C2736 H936 N216 Tb18 -","18","1","","Yang, Liguo; Wang, Xin; Zhu, Mengliang; Xiao, Tongtong; Ouyang, Zhongwen; Bian, Yongzhong; Wang, Zhenxing; Jiang, Jianzhuang","Ferromagnetic coupling between 4f- and delocalized π-radical spins in mixed (phthalocyaninato)(porphyrinato) rare earth double-decker SMMs","Inorganic Chemistry Frontiers","2019","6","8","2142","","10.1039/C9QI00595A","","","0.71073","MoKα","","0.0882","0.0603","","","0.1909","0.2129","","","","","","0.815","","","","has coordinates","237971","2020-10-21","18:00:00",""
"4350068","17.3539","0.0003","8.80152","0.00017","19.8411","0.0003","90","","90","","90","","3030.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(Pz-COO)(Py)2]2 2H2O","[Cu(Pz-COO)(Py)2]2 2H2O","","- C28 H28 Cu2 N8 O6 -","- C28 H28 Cu2 N8 O6 -","- C112 H112 Cu8 N32 O24 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0394","0.0367","","","0.1039","0.1063","","","","","","1.041","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350069","9.5552","0.0007","9.6001","0.0007","12.4239","0.0009","79.964","0.006","84.269","0.006","67.98","0.007","1039.61","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu3(pdc)2(Py)6(H2O)2](H2O)","[Cu3(pdc)2(Py)6(H2O)2](H2O)","","- C40 H40 Cu3 N10 O12 -","- C40 H40 Cu3 N10 O12 -","- C40 H40 Cu3 N10 O12 -","1","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0542","0.0453","","","0.123","0.1285","","","","","","1.057","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350070","8.2386","0.0003","11.5739","0.0004","13.9034","0.0004","90","","90.524","0.003","90","","1325.67","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(ligand)(Cl)2(H2O)].H2O","","","- C9 H11 Cl2 Cu N3 O4 -","- C9 H11 Cl2 Cu N3 O4 -","- C36 H44 Cl8 Cu4 N12 O16 -","4","1","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0332","0.028","","","0.072","0.0745","","","","","","1.037","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350071","8.8416","0.0002","12.3762","0.0003","15.4438","0.0003","90","","92.371","0.002","90","","1688.5","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ligand1-Hppca","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","2","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54178","CuKα","","0.0448","0.0343","","","0.0868","0.0918","","","","","","1.033","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350072","22.869","0.0004","10.96066","0.00016","8.34393","0.00014","90","","90","","90","","2091.48","0.06","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Cu(L)2(Py)2](Et4N)2 3H2O","","","- C36 H58 Cu2 N8 O11 -","- C36 H58 Cu2 N8 O11 -","- C72 H116 Cu4 N16 O22 -","2","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.067","0.0635","","","0.1764","0.1806","","","","","","1.03","","","","has coordinates,has disorder","237974","2020-10-21","18:00:00",""
"4350073","21.6716","0.0004","7.9164","0.00015","32.934","0.0005","90","","93.2825","0.0015","90","","5640.92","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Et4N)4[Cu(pdc)2](H2O)10","(Et4N)4[Cu(pdc)2](H2O)10","","- C42 H102 Cu N8 O18 -","- C42 H102 Cu N8 O18 -","- C168 H408 Cu4 N32 O72 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0345","0.0304","","","0.0818","0.0849","","","","","","1.057","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350074","15.3643","0.0002","16.89","0.0002","17.5664","0.0002","90","","104.544","0.0014","90","","4412.46","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu3(L)2(2-Me-Py)3(H2O)4].2-Me-Py.THF.2H2O","","","- C38 H50 Cu3 N8 O15 -","- C38 H50 Cu3 N8 O15 -","- C152 H200 Cu12 N32 O60 -","4","1","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0402","0.0329","","","0.088","0.092","","","","","","1.033","","","","has coordinates,has disorder","237974","2020-10-21","18:00:00",""
"4350075","14.1353","0.0007","10.5943","0.0005","17.9376","0.0009","90","","106.5","0.005","90","","2575.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(ligand)(Py)]2","","","- C28 H22 Cu N8 O4 -","- C28 H22 Cu N8 O4 -","- C112 H88 Cu4 N32 O16 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","0.71073","MoKα","","0.0536","0.0377","","","0.0778","0.0844","","","","","","1.044","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350076","5.7124","0.0007","7.3887","0.0005","11.528","0.001","92.199","0.006","98.583","0.009","99.681","0.008","473.26","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-Me-Py-Pz-COOH","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C20 H18 N6 O4 -","2","1","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0601","0.0488","","","0.128","0.1322","","","","","","1.069","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350077","8.6372","0.0006","15.7157","0.0009","12.0166","0.0008","90","","106.087","0.007","90","","1567.26","0.18","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag Cl N6 O6 P2 -","- C30 H24 Ag Cl N6 O6 P2 -","- C60 H48 Ag2 Cl2 N12 O12 P4 -","2","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1284","0.1344","","","","","","1.071","","","","has coordinates,has disorder","237976","2020-10-21","18:00:00",""
"4350078","8.5466","0.0003","15.6404","0.0004","11.9157","0.0004","90","","105.93","0.004","90","","1531.63","0.09","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag Cl N6 O6 P2 -","- C30 H24 Ag Cl N6 O6 P2 -","- C60 H48 Ag2 Cl2 N12 O12 P4 -","2","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","x-ray","0.71073","MoKα","","0.0477","0.0412","","","0.1162","0.122","","","","","","1.069","","","","has coordinates,has disorder","237976","2020-10-21","18:00:00",""
"4350079","9.3435","0.0007","9.9903","0.0008","17.8533","0.0015","81.01","0.005","88.125","0.005","82.406","0.004","1631.5","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","silver(I) complex with tris(2-pyridyl)phosphine oxide","","- C30 H24 Ag B F4 N6 O2 P2 -","- C30 H24 Ag B F4 N6 O2 P2 -","- C60 H48 Ag2 B2 F8 N12 O4 P4 -","2","1","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","","0.71073","MoKα","","0.0668","0.0515","","","0.1598","0.1735","","","","","","1.045","","","","has coordinates","237976","2020-10-21","18:00:00",""
"4350080","8.8857","0.0004","15.5795","0.0006","12.0439","0.0005","90","","107.786","0.005","90","","1587.6","0.12","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Ag F3 N6 O5 P2 S -","- C31 H24 Ag F3 N6 O5 P2 S -","- C62 H48 Ag2 F6 N12 O10 P4 S2 -","2","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Berezin, Alexey S.; Kolesnikov, Ilya E.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.","Photoluminescence of Ag(i) complexes with a square-planar coordination geometry: the first observation","Inorganic Chemistry Frontiers","2019","6","10","2855","","10.1039/C9QI00657E","","x-ray","0.71073","MoKα","","0.0313","0.0274","","","0.0597","0.0611","","","","","","1.126","","","","has coordinates","237976","2020-10-21","18:00:00",""
"4350081","23.688","0.003","17.7123","0.0017","33.552","0.003","90","","90","","90","","14077","3","128","3","128","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 Co4 Dy8 N52 O56 -","- C84 H70 Co4 Dy8 N52 O56 -","- C336 H280 Co16 Dy32 N208 O224 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1677","0.0979","","","0.1907","0.2322","","","","","","1.086","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350082","24.1637","0.0009","17.1973","0.0009","33.583","0.0012","90","","90","","90","","13955.4","1","128","3","128","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H66 Co4 N52 O56 Tm8 -","- C82 H66 Co4 N52 O56 Tm8 -","- C328 H264 Co16 N208 O224 Tm32 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1213","0.085","","","0.1989","0.223","","","","","","1.015","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350083","24.0051","0.0009","17.292","0.0006","33.5961","0.0008","90","","90","","90","","13945.6","0.8","128","3","128","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 Co4 Ho8 N52 O56 -","- C84 H70 Co4 Ho8 N52 O56 -","- C336 H280 Co16 Ho32 N208 O224 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1243","0.0787","","","0.199","0.2185","","","","","","1.084","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350084","12.4385","0.001","11.1158","0.0006","18.6465","0.0016","90","","109.358","0.004","90","","2432.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 I12 N4 Pb3 -","- C12 H28 I12 N4 Pb3 -","- C24 H56 I24 N8 Pb6 -","2","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0972","0.0774","","","0.1825","0.192","","","","","","0.918","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350085","11.27","0.003","15.861","0.004","11.479","0.003","90","","118.201","0.003","90","","1808.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 Br10 N6 Pb3 -","- C14 H38 Br10 N6 Pb3 -","- C28 H76 Br20 N12 Pb6 -","2","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0676","0.0578","","","0.1334","0.135","","","","","","1.02","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350086","9.5123","0.0008","13.4417","0.0012","19.1192","0.0017","75.665","0.001","89.924","0.001","72.466","0.001","2251.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H44 I10 N4 Pb3 -","- C16 H44 I10 N4 Pb3 -","- C32 H88 I20 N8 Pb6 -","2","1","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0505","0.0366","","","0.0824","0.0872","","","","","","1.037","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350087","24.171","0.006","15.841","0.004","9.29","0.002","90","","90","","90","","3557.1","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H21 I9 N2 Pb3 -","- C8 H20 I9 N2 Pb3 -","- C32 H80 I36 N8 Pb12 -","4","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0433","0.0379","","","0.0839","0.0858","","","","","","1.003","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350088","9.2418","0.0014","23.535","0.004","15.709","0.002","90","","90","","90","","3416.8","0.9","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H19 I9 N2 Pb3 -","- C8 H18 I9 N2 Pb3 -","- C32 H72 I36 N8 Pb12 -","4","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0391","0.034","","","0.0794","0.0816","","","","","","0.974","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350089","15.7662","0.0004","9.1066","0.0002","17.4455","0.0005","90","","104.876","0.003","90","","2420.81","0.11","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N13 O3 Yb -","- C18 H20 B2 N13 O3 Yb -","- C72 H80 B8 N52 O12 Yb4 -","4","1","","Guégan, Frédéric; Jung, Julie; Le Guennic, Boris; Riobé, François; Maury, Olivier; Gillon, Béatrice; Jacquot, Jean-François; Guyot, Yannick; Morell, Christophe; Luneau, Dominique","Evidencing under-barrier phenomena in a Yb(iii) SMM: a joint luminescence/neutron diffraction/SQUID study","Inorganic Chemistry Frontiers","2019","6","11","3152","","10.1039/C9QI00726A","","","0.71073","MoKα","","0.0287","0.0236","","0.0264","0.0257","0.0257","","","","","","1.0746","","","","has coordinates","237981","2020-10-21","18:00:00",""
"4350090","24.288","0.002","7.3001","0.0006","10.3726","0.0009","90","","94.949","0.008","90","","1832.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O3 P Zn -","- C8 H7 N O3 P Zn -","- C64 H56 N8 O24 P8 Zn8 -","8","1","","Ge, Bang-Di; Han, Yue; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Tunable photochromic properties of hybrid solids controlled by the conjugated length of non-photochromic units","Inorganic Chemistry Frontiers","2019","6","9","2435","","10.1039/C9QI00730J","","","0.71073","MoKα","","0.0449","0.0294","","","0.0613","0.068","","","","","","1.063","","","","has coordinates","237982","2020-10-21","18:00:00",""
"4350091","14.2342","0.0014","15.3701","0.0015","15.5819","0.0015","65.102","0.003","83.431","0.003","78.541","0.003","3028.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N,N')-bis{1-methyl-2-(naphthalen-2-yl)-1H-benzo[d]imidazole-κN,C)}-iridium(III) hexafluorophosphate 3(1,2-dichloroethane) 0.33hexane solvate","","- C62 H48 Cl6 F6 Ir N8 P -","- C62 H48 Cl6 F6 Ir N8 P -","- C124 H96 Cl12 F12 Ir2 N16 P2 -","2","1","","Novohradsky, Vojtech; Vigueras, Gloria; Pracharova, Jitka; Cutillas, Natalia; Janiak, Christoph; Kostrhunova, Hana; Brabec, Viktor; Ruiz, Jose; Kasparkova, Jana","Molecular superoxide radical photogeneration in cancer cells by dipyridophenazine iridium(iii) complexes","Inorganic Chemistry Frontiers","2019","6","9","2500","","10.1039/C9QI00811J","","","0.71073","MoKα","","0.0424","0.0412","","","0.1123","0.1133","","","","","","1.083","","","","has coordinates,has disorder","237984","2020-10-21","18:00:00",""
"4350092","7.975","0.0003","22.7119","0.0011","32.7398","0.0014","90","","90","","90","","5930.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H33 Cl O6 Os -","- C31 H33 Cl O6 Os -","- C248 H264 Cl8 O48 Os8 -","8","1","","Pettinari, Riccardo; Marchetti, Fabio; Di Nicola, Corrado; Pettinari, Claudio; Cuccioloni, Massimiliano; Bonfili, Laura; Eleuteri, Anna Maria; Therrien, Bruno; Batchelor, Lucinda K.; Dyson, Paul J.","Novel osmium(ii)‒cymene complexes containing curcumin and bisdemethoxycurcumin ligands","Inorganic Chemistry Frontiers","2019","6","9","2448","","10.1039/C9QI00843H","","","0.71073","MoKα","","0.1779","0.0937","","","0.215","0.2565","","","","","","1.029","","","","has coordinates,has disorder","237986","2020-10-21","18:00:00",""
"4350093","10.897","0.003","10.372","0.003","29.943","0.008","90","","96.4","0.004","90","","3363.2","1.6","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C70 H60 F12 Mn N8 O6 P2 -","- C70 H60 F12 Mn N8 O6 P2 -","- C140 H120 F24 Mn2 N16 O12 P4 -","2","0.5","","Tian, Xiaohe; Xiao, Lufei; Shen, Yu; Luo, Lei; Zhang, Guilong; Zhang, Qiong; Li, Dandan; Wu, Jieying; Wu, Zhengyan; Zhang, Zhongping; Tian, Yupeng","A combination of super-resolution fluorescence and magnetic resonance imaging using a Mn(ii) compound","Inorganic Chemistry Frontiers","2019","6","10","2914","","10.1039/C9QI00895K","","","0.71073","MoKα","","0.1662","0.0863","","","0.2481","0.2902","","","","","","1.001","","","","has coordinates,has disorder","237989","2020-10-21","18:00:00",""
"4350094","32.3884","0.0003","29.3119","0.0005","16.0224","0.0003","90","","90","","90","","15211.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C172 H252 Cu11.5 N100 Ni1.5 O W8 -","- C172 H252 Cu11.5 N100 Ni1.5 O W8 -","- C344 H504 Cu23 N200 Ni3 O2 W16 -","2","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.77538","synchrotron","","0.1058","0.0949","","","0.2964","0.308","","","","","","1.231","","","","has coordinates","237991","2020-10-21","18:00:00",""
"4350095","17.5625","0.0007","17.6025","0.0008","17.9412","0.0007","96.994","0.007","104.782","0.007","109.072","0.008","4939.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H168 Co Cu8 N72 O18 W6 -","- C138 H168 Co Cu8 N72 O18 W6 -","- C138 H168 Co Cu8 N72 O18 W6 -","1","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.71075","MoKα","","0.1412","0.1099","","","0.2699","0.2901","","","","","","1.09","","","","has coordinates,has disorder","237991","2020-10-21","18:00:00",""
"4350096","32.2076","0.0003","29.6713","0.0004","16.127","0.0002","90","","90","","90","","15411.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C172 H252 Co Cu12 N100 O W8 -","- C172 H252 Co Cu12 N100 O W8 -","- C344 H504 Co2 Cu24 N200 O2 W16 -","2","0.5","","Liberka, Michal; Kobylarczyk, Jedrzej; Muziol, Tadeusz M.; Ohkoshi, Shin-ichi; Chorazy, Szymon; Podgajny, Robert","A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13‒xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal‒cyanide magnetic clusters","Inorganic Chemistry Frontiers","2019","6","11","3104","","10.1039/C9QI00898E","","x-ray","0.77538","synchrotron","","0.0918","0.0838","","","0.2383","0.2474","","","","","","1.118","","","","has coordinates,has disorder","237991","2020-10-21","18:00:00",""
"4350097","7.881","0.005","9.879","0.005","21.399","0.005","80.536","0.005","88.69","0.005","81.763","0.005","1626.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu2 Fe N5 O17 -","- C28 H22 Cu2 Fe N5 O17 -","- C56 H44 Cu4 Fe2 N10 O34 -","2","1","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","x-ray","1.54184","CuKα","","0.0771","0.0669","","","0.1845","0.1997","","","","","","1.035","","","","has coordinates","237994","2020-10-21","18:00:00",""
"4350098","15.381","0.0003","15.381","0.0003","15.381","0.0003","90","","90","","90","","3638.76","0.12","293","2","293","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 Cu Fe2 N6 O13 -","- C36 H24 Cu Fe2 N6 O13 -","- C144 H96 Cu4 Fe8 N24 O52 -","4","0.166667","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","","1.54179","CuKα","","0.0502","0.0467","","","0.1364","0.1405","","","","","","1.116","","","","has coordinates","237994","2020-10-21","18:00:00",""
"4350099","7.8701","0.0014","9.6808","0.001","21.3966","0.0014","80.389","0.007","88.275","0.011","81.506","0.013","1589.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H16 Cu2 Fe K N4 O17 -","- C28 H16 Cu2 Fe K N4 O17 -","- C56 H32 Cu4 Fe2 K2 N8 O34 -","2","1","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","","0.71073","MoKα","","0.051","0.0391","","","0.102","0.1085","","","","","","1.064","","","","has coordinates,has disorder","237994","2020-10-21","18:00:00",""
"4350100","15.379","0.005","15.379","0.005","15.379","0.005","90","0.005","90","0.005","90","0.005","3637","2","293","2","293","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 Cu Fe2 N6 O12 -","- C36 H24 Cu Fe2 N6 O12 -","- C144 H96 Cu4 Fe8 N24 O48 -","4","0.166667","","Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana","Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton","Inorganic Chemistry Frontiers","2019","6","11","3327","","10.1039/C9QI00926D","","x-ray","1.54179","CuKα","","0.0593","0.0593","","","0.1433","0.1433","","","","","","1.141","","","","has coordinates","237994","2020-10-21","18:00:00",""
"4350101","31.955","0.005","5.0786","0.0005","23.326","0.003","90","","114.477","0.013","90","","3445.3","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C152 H160 N32 O24 -","8","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.","A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging","Inorganic Chemistry Frontiers","2019","6","11","3237","","10.1039/C9QI00992B","","","0.71073","MoKα","","0.1402","0.0924","","","0.2183","0.2537","","","","","","1.06","","","","has coordinates","237997","2020-10-21","18:00:00",""
"4350102","7.3965","0.0018","9.957","0.002","13.9","0.003","90","","91.053","0.004","90","","1023.5","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 Cl2 Cu N4 O4 -","- C19 H22 Cl2 Cu N4 O4 -","- C38 H44 Cl4 Cu2 N8 O8 -","2","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.","A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging","Inorganic Chemistry Frontiers","2019","6","11","3237","","10.1039/C9QI00992B","","","0.71073","MoKα","","0.0405","0.0361","","","0.0905","0.093","","","","","","1.062","","","","has coordinates","237997","2020-10-21","18:00:00",""
"4350103","9.1059","0.001","9.2243","0.001","13.2852","0.0015","76.875","0.002","80.247","0.002","62.573","0.002","961.88","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O10 Zn -","- C18 H17 N O10 Zn -","- C36 H34 N2 O20 Zn2 -","2","1","","Li, Li; Tu, Zu-Ming; Hua, Yang; Li, Xiao-Nan; Wang, Hai-Yu; Zhang, Hong","A novel multifunction photochromic metal‒organic framework for rapid ultraviolet light detection, amine-selective sensing and inkless and erasable prints","Inorganic Chemistry Frontiers","2019","6","11","3077","","10.1039/C9QI01037H","","","0.71073","MoKα","","0.0385","0.0353","","","0.1061","0.1082","","","","","","1.058","","","","has coordinates","238000","2020-10-21","18:00:00",""
"4350104","16.1096","0.001","11.7548","0.0006","12.7052","0.0009","90","","90","","90","","2405.9","0.3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C12 H20 Ca Li2 N12 O18 -","- C12 H20 Ca Li2 N12 O18 -","- C48 H80 Ca4 Li8 N48 O72 -","4","0.25","","Meng, Xianghe; Liang, Fei; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Zeng, Tixian; Kang, Bin; Lin, Zheshuai; Xia, Mingjun","LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates","Inorganic Chemistry Frontiers","2019","6","10","2850","","10.1039/C9QI01047E","","","0.71073","MoKα","","0.0431","0.0355","","","0.1013","0.1068","","","","","","1.046","","","","has coordinates","238002","2020-10-21","18:00:00",""
"4350105","17.0294","0.0006","6.5546","0.0002","23.1652","0.0008","90","","101.245","0.003","90","","2536.08","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Ba N12 Na2 O18 -","- C12 H20 Ba N12 Na2 O18 -","- C48 H80 Ba4 N48 Na8 O72 -","4","0.5","","Meng, Xianghe; Liang, Fei; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Zeng, Tixian; Kang, Bin; Lin, Zheshuai; Xia, Mingjun","LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates","Inorganic Chemistry Frontiers","2019","6","10","2850","","10.1039/C9QI01047E","","","0.71073","MoKα","","0.0188","0.0183","","","0.0453","0.0456","","","","","","1.09","","","","has coordinates","238002","2020-10-21","18:00:00",""
"4350106","13.3901","0.0004","16.8437","0.0004","22.893","0.0007","90","","90.552","0.001","90","","5163","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[2,2'-(tris(2-pyridyl)phosphine)]-dithiocyanato-di-silver(I) chloroform solvate","","- C48 H37 Ag2 Cl3 N11 P3 S2 -","- C48 H37 Ag2 Cl3 N11 P3 S2 -","- C192 H148 Ag8 Cl12 N44 P12 S8 -","4","1","","Artem'ev, Alexander V.; Shafikov, Marsel Z.; Schinabeck, Alexander; Antonova, Olga V.; Berezin, Alexey S.; Bagryanskaya, Irina Yu.; Plusnin, Pavel E.; Yersin, Hartmut","Sky-blue thermally activated delayed fluorescence (TADF) based on Ag(i) complexes: strong solvation-induced emission enhancement","Inorganic Chemistry Frontiers","2019","6","11","3168","","10.1039/C9QI01069F","","","0.71073","MoKα","","0.0745","0.0472","","","0.119","0.1402","","","","","","1.042","","","","has coordinates,has disorder","238004","2020-10-21","18:00:00",""
"4350107","10.8909","0.0002","15.2773","0.0004","26.0826","0.0006","90","","90","","90","","4339.72","0.17","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris[tris(2-pyridyl)phosphine)thiocyanato-silver(I)]","","- C46 H36 Ag N10 P3 S -","- C46 H36 Ag N10 P3 S -","- C184 H144 Ag4 N40 P12 S4 -","4","1","","Artem'ev, Alexander V.; Shafikov, Marsel Z.; Schinabeck, Alexander; Antonova, Olga V.; Berezin, Alexey S.; Bagryanskaya, Irina Yu.; Plusnin, Pavel E.; Yersin, Hartmut","Sky-blue thermally activated delayed fluorescence (TADF) based on Ag(i) complexes: strong solvation-induced emission enhancement","Inorganic Chemistry Frontiers","2019","6","11","3168","","10.1039/C9QI01069F","","","0.71073","MoKα","","0.0397","0.0306","","","0.0648","0.069","","","","","","1.015","","","","has coordinates","238004","2020-10-21","18:00:00",""
"4350108","30.121","0.003","25.7007","0.0019","18.617","0.0017","90","","105.358","0.01","90","","13897","2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C182 H64 Cl6 N20 O5 Y2 -","- C182 H64 Cl6 N20 O5 Y2 -","- C728 H256 Cl24 N80 O20 Y8 -","4","0.5","","Wang, Chiming; Qi, Dongdong; Lu, Guang; Wang, Hailong; Chen, Yanli; Jiang, Jianzhuang","High mobility at the interface of the cocrystallized sandwich-type tetrapyrrole metal compound and fullerene layers","Inorganic Chemistry Frontiers","2019","6","11","3345","","10.1039/C9QI01130G","","","0.71073","MoKα","","0.2364","0.1495","","","0.39","0.4345","","","","","","1.213","","","","has coordinates,has disorder","238008","2020-10-21","18:00:00",""
"4514404","38.36","0.003","38.36","0.003","38.36","0.003","90","","90","","90","","56446","8","293","2","293","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C64.8 H39.73 Cl N4 Ni O21.33 Zr4 -","- C64.8 H39.7333 Cl N4 Ni O21.3333 Zr4 -","- C777.6 H476.8 Cl12 N48 Ni12 O256 Zr48 -","12","0.125","","Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai","Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.","ACS applied materials & interfaces","2019","11","25","22390","22397","10.1021/acsami.9b05091","","","0.71073","MoKα","","0.1413","0.1163","","","0.3037","0.3181","","","","","","1.112","","","","has coordinates,has disorder","223174","2020-10-21","18:00:00",""
"4514405","23.1534","0.0007","33.9456","0.0011","15.025","0.0004","90","","90","","90","","11809","0.6","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H33 O18 Zr3 -","- C50 H33 O18 Zr3 -","- C200 H132 O72 Zr12 -","4","0.25","","Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai","Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.","ACS applied materials & interfaces","2019","11","25","22390","22397","10.1021/acsami.9b05091","","","1.54184","CuKα","","0.0791","0.063","","","0.1613","0.1653","","","","","","1.11","","","","has coordinates,has disorder","223174","2020-10-21","18:00:00",""
"4514406","11.6182","0.0003","17.9333","0.0002","12.329","0.0002","90","","115.788","0.002","90","","2312.95","0.08","150","0.1","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H49 Cl2 I O2 P2 Pd -","- C52 H49 Cl2 I O2 P2 Pd -","- C104 H98 Cl4 I2 O4 P4 Pd2 -","2","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","","1.54184","CuKα","","0.0588","0.0586","","","0.1576","0.1578","","","","","","1.051","","","","has coordinates","223175","2020-10-21","18:00:00",""
"4514407","7.15","0.0003","19.5691","0.0007","24.0399","0.0011","90","","90","","90","","3363.6","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cr N O5 P -","- C37 H36 Cr N O5 P -","- C148 H144 Cr4 N4 O20 P4 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0689","0.059","","","0.1589","0.169","","","","","","1.059","","","","has coordinates,has disorder","223175","2020-10-21","18:00:00",""
"4514408","11.7485","0.0003","26.0007","0.0009","18.5841","0.0006","90","","106.036","0.003","90","","5456","0.3","150","","150","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C62 H74.56 Ag O4.78 P2 -","- C62 H74.56 Ag O4.78 P2 -","- C248 H298.24 Ag4 O19.12 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.0813","0.0523","","","0.1157","0.125","","","","","","1.011","","","","has coordinates,has disorder","223175","2020-10-21","18:00:00",""
"4514409","6.4182","0.0003","21.7785","0.001","19.0994","0.0008","90","","96.787","0.003","90","","2651","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N O3 S -","- C31 H31 N O3 S -","- C124 H124 N4 O12 S4 -","4","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.1478","0.0786","","","0.1837","0.2264","","","","","","1.014","","","","has coordinates,has disorder","223176","2020-10-21","18:00:00",""
"4514410","19.4007","0.0009","19.4007","0.0009","57.9021","0.0018","90","","90","","90","","21793.6","1.6","273","2","273","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C200 H204 Ag22 Cl4 P8 S12 -","- C200 H204 Ag22 Cl4 P8 S12 -","- C800 H816 Ag88 Cl16 P32 S48 -","4","","","Khatun, Esma; Bodiuzzaman, Mohammad; Sugi, Korath Shivan; Chakraborty, Papri; Paramasivam, Ganesan; Dar, Wakeel Ahmed; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil","Confining an Ag<sub>10</sub> Core in an Ag<sub>12</sub> Shell: A Four-Electron Superatom with Enhanced Photoluminescence upon Crystallization.","ACS nano","2019","","","","","10.1021/acsnano.9b01189","","","0.71073","MoKα","","0.195","0.1267","","","0.2562","0.3121","","","","","","1.135","","","","has coordinates,has disorder","215061","2020-10-21","18:00:00",""
"4514411","19.487","0.0004","19.7839","0.0005","32.2015","0.0005","101.469","0.0016","90.9331","0.0015","110.275","0.002","11363.7","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C193 H143 Cl38 Cu25 P3 S18 -","- C193 H153 Cl38 Cu25 P3 S18 -","- C386 H306 Cl76 Cu50 P6 S36 -","2","1","","Sun, Cunfa; Mammen, Nisha; Kaappa, Sami; Yuan, Peng; Deng, Guocheng; Zhao, Chaowei; Yan, Juanzhu; Malola, Sami; Honkala, Karoliina; Häkkinen, Hannu; Teo, Boon K.; Zheng, Nanfeng","Atomically Precise, Thiolated Copper-Hydride Nanoclusters as Single-Site Hydrogenation Catalysts for Ketones in Mild Conditions.","ACS nano","2019","","","","","10.1021/acsnano.9b02052","","x-ray","1.54184","CuKα","","0.0774","0.0556","","","0.1432","0.1629","","","","","","1.068","","","","has coordinates","215062","2020-10-21","18:00:00",""
"4514412","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B.","Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions","ACS Catalysis","2019","9","6","5474","","10.1021/acscatal.9b01338","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","223180","2020-10-21","18:00:00",""
"4514413","7.46343","0.00007","12.81878","0.00013","18.68909","0.00019","90","","93.9187","0.0009","90","","1783.84","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Ir -","- C20 H26 Cl Ir -","- C80 H104 Cl4 Ir4 -","4","1","","Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B.","Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions","ACS Catalysis","2019","9","6","5474","","10.1021/acscatal.9b01338","","x-ray","0.71073","MoKα","","0.0366","0.029","","","0.0622","0.0641","","","","","","1.094","","","","has coordinates","223180","2020-10-21","18:00:00",""
"4514414","10.8842","0.0004","11.4192","0.0004","15.8101","0.0006","90","","104.557","0.003","90","","1901.94","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Br2 Co N3 -","- C15 H27 Br2 Co N3 -","- C60 H108 Br8 Co4 N12 -","4","1","","Pattanaik, Sandip; Gunanathan, Chidambaram","Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes","ACS Catalysis","2019","9","6","5552","","10.1021/acscatal.9b00305","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1499","0.1761","","","","","","1.028","","","","has coordinates","223177","2020-10-21","18:00:00",""
"4514415","11.1449","0.0014","12.2086","0.0015","11.4303","0.0015","90","","107.468","0.002","90","","1483.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0773","0.0482","","","0.1459","0.1696","","","","","","0.999","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514416","8.7858","0.0016","9.9521","0.0018","13.706","0.004","100.933","0.004","94.003","0.004","112.813","0.003","1070.9","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C44 H50 N6 O8 -","2","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514417","15.251","0.002","10.6393","0.0016","19.017","0.003","90","","90","","90","","3085.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0562","0.0421","","","0.1342","0.1537","","","","","","1.001","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514418","19.26","0.004","6.4425","0.0014","20.274","0.005","90","","100.533","0.004","90","","2473.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0704","0.045","","","0.1361","0.1621","","","","","","0.998","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514419","16.093","0.0013","9.8036","0.0006","6.9586","0.0006","90","","93.02","0.002","90","","1096.33","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 I N O -","- C12 H10 I N O -","- C48 H40 I4 N4 O4 -","4","1","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0258","0.0253","","","0.0686","0.0692","","","","","","1.108","","","","has coordinates","223179","2020-10-21","18:00:00",""
"4514420","10.9656","0.0006","11.9509","0.0006","38.4007","0.0019","90","","90","","90","","5032.4","0.4","100","","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H60 Cl2 N2 P2 Ru -","- C59 H60 Cl2 N2 P2 Ru -","- C236 H240 Cl8 N8 P8 Ru4 -","4","1","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0253","0.0245","","","0.0583","0.0586","","","","","","1.096","","","","has coordinates","223179","2020-10-21","18:00:00",""
"4514421","19.9594","0.0004","3.5553","0.0001","19.0219","0.0003","90","","90","","90","","1349.83","0.05","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- H7 N5 O2 -","- H7 N5 O2 -","- H84 N60 O24 -","12","3","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","1.54178","CuKα","","0.0585","0.0402","","","0.093","0.1025","","","","","","0.997","","","","has coordinates","219525","2020-10-21","18:00:00",""
"4514422","8.9331","0.001","3.7824","0.0004","8.6519","0.001","90","","90","","90","","292.34","0.06","173","2","173","2","","","","","","","","2","P m n a","-P 2ac 2","53","","","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","0.71073","MoKα","","0.0284","0.0261","","","0.0714","0.0748","","","","","","1.179","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4514423","5.641","0.002","5.521","0.002","11.306","0.004","90","","93.261","0.004","90","","351.5","0.2","243","2","243","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- H5 N5 -","- H5 N5 -","- H20 N20 -","4","1","","Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.","A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)","ACS Applied Energy Materials","2019","2","9","6919","","10.1021/acsaem.9b01447","","","0.71073","MoKα","","0.0636","0.0454","","","0.1145","0.128","","","","","","1.041","","","","has coordinates","219527","2020-10-21","18:00:00",""
"4514424","15.0653","0.0013","14.1204","0.0012","8.6201","0.0008","90","","90","","90","","1833.7","0.3","128","2","128","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Bi I5 N2 -","- C6 H18 Bi I5 N2 -","- C24 H72 Bi4 I20 N8 -","4","1","","Fabian, David M.; Ganose, Alex M.; Ziller, Joseph W.; Scanlon, David O.; Beard, Matthew C.; Ardo, Shane","Influence of One Specific Carbon‒Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic‒Inorganic Bismuth Iodide Materials","ACS Applied Energy Materials","2019","2","3","1579","","10.1021/acsaem.8b01809","","","0.71073","MoKα","","0.029","0.0282","","","0.0644","0.0646","","","","","","1.15","","","","has coordinates","219528","2020-10-21","18:00:00",""
"4514425","8.4726","0.001","12.2421","0.0015","17.789","0.002","92.014","0.002","92.398","0.002","108.002","0.001","1751","0.4","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H34 Bi2 I9 N3 O -","- C10 H34 Bi2 I9 N3 O -","- C20 H68 Bi4 I18 N6 O2 -","2","1","","Fabian, David M.; Ganose, Alex M.; Ziller, Joseph W.; Scanlon, David O.; Beard, Matthew C.; Ardo, Shane","Influence of One Specific Carbon‒Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic‒Inorganic Bismuth Iodide Materials","ACS Applied Energy Materials","2019","2","3","1579","","10.1021/acsaem.8b01809","","","0.71073","MoKα","","0.0844","0.0685","","","0.1352","0.1406","","","","","","1.18","","","","has coordinates,has disorder","219529","2020-10-21","18:00:00",""
"4514426","6.7814","0.0014","7.0285","0.0013","13.685","0.003","83.681","0.006","76.004","0.006","86.514","0.006","628.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N8 O5 S -","- C7 H10 N8 O5 S -","- C14 H20 N16 O10 S2 -","2","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Aminonitro Groups Surrounding a Fused Pyrazolotriazine Ring: A Superior Thermally Stable and Insensitive Energetic Material","ACS Applied Energy Materials","2019","2","3","2263","","10.1021/acsaem.9b00049","","","0.71073","MoKα","","0.1497","0.058","","","0.1239","0.1568","","","","","","0.979","","","","has coordinates,has disorder","219530","2020-10-21","18:00:00",""
"4514427","6.3191","0.0009","6.5094","0.0009","9.7727","0.0014","102.679","0.007","95.11","0.008","106.715","0.006","370.6","0.09","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 N5 Na O5 -","- C3 H4 N5 Na O5 -","- C6 H8 N10 Na2 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Sodium and Potassium 3,5-Dinitro-4-hydropyrazolate: Three-Dimensional Metal‒Organic Frameworks as Promising Super-heat-resistant Explosives","ACS Applied Energy Materials","2019","","","","","10.1021/acsaem.9b01608","","","1.54178","CuKα","","0.0597","0.0591","","","0.1834","0.1846","","","","","","1.152","","","","has coordinates","219531","2020-10-21","18:00:00",""
"4514428","17.383","0.001","6.7043","0.0004","17.0965","0.001","90","","120.034","0.001","90","","1724.91","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N4 Na2 O7 -","- C3 H4 N4 Na2 O7 -","- C24 H32 N32 Na16 O56 -","8","1","","Zhang, Jichuan; Zhang, Jiaheng; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Sodium and Potassium 3,5-Dinitro-4-hydropyrazolate: Three-Dimensional Metal‒Organic Frameworks as Promising Super-heat-resistant Explosives","ACS Applied Energy Materials","2019","","","","","10.1021/acsaem.9b01608","","","0.71073","MoKα","","0.034","0.0282","","","0.0751","0.0784","","","","","","1.033","","","","has coordinates","219532","2020-10-21","18:00:00",""
"4514429","4.2521","0.0002","26.1866","0.0013","7.0234","0.0004","90","","107.021","0.0019","90","","747.78","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 K2 N4 O5 -","- C3 K2 N4 O5 -","- C12 K8 N16 O20 -","4","1","","Zhang, Jichuan; Zhang, Jiaheng; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean’ne M.","Sodium and Potassium 3,5-Dinitro-4-hydropyrazolate: Three-Dimensional Metal‒Organic Frameworks as Promising Super-heat-resistant Explosives","ACS Applied Energy Materials","2019","","","","","10.1021/acsaem.9b01608","","","0.71073","MoKα","","0.0475","0.0322","","","0.0736","0.0792","","","","","","1.036","","","","has coordinates","219533","2020-10-21","18:00:00",""
"4514430","8.5393","0.0004","8.0347","0.0005","13.7715","0.0005","90","","104.207","0.004","90","","915.97","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 Ag Cl N6 O5 -","- C3 H6 Ag Cl N6 O5 -","- C12 H24 Ag4 Cl4 N24 O20 -","4","1","","Wang, Tingwei; Zhang, Qi; Deng, Hu; Shang, Liping; Chen, Dong; Li, Yan; Zhu, Shunguan; Li, Hongzhen","Evolution of Oxidizing Inorganic Metal Salts: Ultrafast Laser Initiation Materials Based on Energetic Cationic Coordination Polymers.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b14353","","","0.71073","MoKα","","0.0621","0.0416","","","0.084","0.0966","","","","","","1.04","","","","has coordinates","219534","2020-10-21","18:00:00",""
"4514431","13.7903","0.0006","21.5052","0.0013","19.8216","0.0013","90","","106.29","0.006","90","","5642.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cl7 Ir N4 O4 -","- C46 H34 Cl7 Ir N4 O4 -","- C184 H136 Cl28 Ir4 N16 O16 -","4","1","","Wei, Lian-Qiang; Ye, Bao-Hui","Cyclometalated Ir-Zr Metal-Organic Frameworks as Recyclable Visible-Light Photocatalysts for Sulfide Oxidation into Sulfoxide in Water.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15646","","","1.54184","CuKα","","0.1268","0.1052","","","0.3047","0.3411","","","","","","1.074","","","","has coordinates","219535","2020-10-21","18:00:00",""
"4514432","10.1077","0.0007","13.2508","0.0006","17.0571","0.001","68.899","0.005","85.333","0.005","87.924","0.005","2124.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H38 Cl3 Ir N4 O6 -","- C47 H38 Cl3 Ir N4 O6 -","- C94 H76 Cl6 Ir2 N8 O12 -","2","1","","Wei, Lian-Qiang; Ye, Bao-Hui","Cyclometalated Ir-Zr Metal-Organic Frameworks as Recyclable Visible-Light Photocatalysts for Sulfide Oxidation into Sulfoxide in Water.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15646","","","1.54178","CuKα","","0.0594","0.0452","","","0.102","0.1118","","","","","","1.065","","","","has coordinates","219535","2020-10-21","18:00:00",""
"4514433","12.3217","0.0009","13.7563","0.0007","16.7397","0.0008","111.04","0.005","95.372","0.005","97.958","0.005","2591","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H34 Cl7 Ir N4 O4 -","- C48 H34 Cl7 Ir N4 O4 -","- C96 H68 Cl14 Ir2 N8 O8 -","2","1","","Wei, Lian-Qiang; Ye, Bao-Hui","Cyclometalated Ir-Zr Metal-Organic Frameworks as Recyclable Visible-Light Photocatalysts for Sulfide Oxidation into Sulfoxide in Water.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15646","","","1.54178","CuKα","","0.0699","0.0596","","","0.1564","0.1671","","","","","","1.045","","","","has coordinates","219535","2020-10-21","18:00:00",""
"4514434","6.44696","0.00018","6.98494","0.00019","23.6748","0.0006","90","","90","","90","","1066.11","0.05","140","0.1","140","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Park, Sung Hwan; Wang, Shou-Guo; Cramer, Nicolai","Enantioselective Ruthenium(II)-Catalyzed Access to Benzonorcaradienes by Coupling of Oxabenzonorbornadienes and Alkynes","ACS Catalysis","2019","","","10226","","10.1021/acscatal.9b03858","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0698","0.0702","","","","","","1.076","","","","has coordinates","219536","2020-10-21","18:00:00",""
"4514435","5.101","0.0005","15.6195","0.0014","23.695","0.002","90","","90","","90","","1887.9","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 F O2 S -","- C24 H19 F O2 S -","- C96 H76 F4 O8 S4 -","4","1","","Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li","Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism","ACS Catalysis","2019","","","10477","","10.1021/acscatal.9b03640","","","0.71073","MoKα","","0.1417","0.0942","","","0.211","0.2387","","","","","","1.077","","","","has coordinates","219537","2020-10-21","18:00:00",""
"4514436","9.7166","0.0008","31.009","0.003","16.0484","0.0014","90","","97.583","0.001","90","","4793.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br F O2 S -","- C16 H14 Br F O2 S -","- C192 H168 Br12 F12 O24 S12 -","12","3","","Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li","Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism","ACS Catalysis","2019","","","10477","","10.1021/acscatal.9b03640","","","0.71073","MoKα","","0.1724","0.0513","","","0.0848","0.0988","","","","","","1.012","","","","has coordinates,has disorder","219538","2020-10-21","18:00:00",""
"4514437","9.4145","0.0006","16.7722","0.001","20.1088","0.0011","90","","90","","90","","3175.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B10 N O -","- C10 H19 B10 N O -","- C80 H152 B80 N8 O8 -","8","1","","Baek, Yonghyeon; Kim, Suhui; Son, Jeong-Yu; Lee, Kooyeon; Kim, Dongwook; Lee, Phil Ho","Rhodium-Catalyzed Amidation of the Cage B(4)‒H Bond in o-Carboranes with Dioxazolones by Carboxylic Acid-Assisted B(4)‒H Bond Activation","ACS Catalysis","2019","","","10418","","10.1021/acscatal.9b03380","","","0.71073","MoKα","","0.0979","0.054","","","0.1225","0.1445","","","","","","1.066","","","","has coordinates","219539","2020-10-21","18:00:00",""
"4514438","11.5032","0.0011","10.3652","0.001","12.7281","0.0012","90","","102.844","0.0014","90","","1479.6","0.2","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael","H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios","ACS Catalysis","2019","","","10294","","10.1021/acscatal.9b03678","","","0.71073","MoKα","","0.0968","0.0791","","","0.2205","0.2412","","","","","","1.057","","","","has coordinates","219540","2020-10-21","18:00:00",""
"4514439","11.3195","0.0011","10.3547","0.001","12.7097","0.0012","90","","101.868","0.0015","90","","1457.9","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael","H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios","ACS Catalysis","2019","","","10294","","10.1021/acscatal.9b03678","","","0.71073","MoKα","","0.0724","0.0509","","","0.1054","0.1153","","","","","","1.025","","","","has coordinates,has disorder","219541","2020-10-21","18:00:00",""
"4514440","7.6243","0.0015","8.044","0.0016","12.562","0.003","88.72","0.03","83.85","0.03","80.07","0.03","754.5","0.3","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cl4 Mn N2 -","- C10 H12 Cl4 Mn N2 -","- C20 H24 Cl8 Mn2 N4 -","2","1","","Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo","Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.","ACS omega","2019","4","5","8039","8045","10.1021/acsomega.8b03661","","","0.71073","MoKα","","0.0477","0.043","","","0.0936","0.0972","","","","","","1.112","","","","has coordinates","219542","2020-10-21","18:00:00",""
"4514441","11.417","0.002","7.2779","0.0015","11.817","0.002","90","","102.83","0.03","90","","957.4","0.3","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 Cl3 Mn N O -","- C5 H8 Cl3 Mn N O -","- C20 H32 Cl12 Mn4 N4 O4 -","4","1","","Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo","Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.","ACS omega","2019","4","5","8039","8045","10.1021/acsomega.8b03661","","","0.71073","MoKα","","0.0333","0.032","","","0.0827","0.0836","","","","","","1.157","","","","has coordinates","219544","2020-10-21","18:00:00",""
"4514442","34.337","0.002","15.5018","0.001","28.7158","0.0019","90","","114.458","0.003","90","","13913.4","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H70 Cl2 N4 O8 -","- C83 H70 Cl2 N4 O8 -","- C664 H560 Cl16 N32 O64 -","8","2","","Ren, Ming; Wang, Jianan; Xie, Xinrui; Zhang, Jing; Wang, Peng","Double-Helicene-Based Hole-Transporter for Perovskite Solar Cells with 22% Efficiency and Operation Durability","ACS Energy Letters","2019","","","2683","","10.1021/acsenergylett.9b01949","","","1.54178","CuKα","","0.1107","0.087","","","0.2754","0.3098","","","","","","1.2","","","","has coordinates","219545","2020-10-21","18:00:00",""
"4514443","13.6261","0.0019","15.4733","0.0018","16.25","0.002","71.128","0.009","69.144","0.008","70.733","0.008","2938.8","0.7","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54.78 H47.78 B Cl5.36 Ir N2 O6 S3 -","- C54.786 H47.786 B Cl5.358 Ir N2 O6 S3 -","- C109.572 H95.572 B2 Cl10.716 Ir2 N4 O12 S6 -","2","1","","Sun, Yuanhui; Yang, Xiaolong; Feng, Zhao; Liu, Boao; Zhong, Daokun; Zhang, Junjie; Zhou, Guijiang; Wu, Zhaoxin","Highly Efficient Deep-Red Organic Light-Emitting Devices Based on Asymmetric Iridium(III) Complexes with the Thianthrene 5,5,10,10-Tetraoxide Moiety.","ACS applied materials & interfaces","2019","11","29","26152","26164","10.1021/acsami.9b06749","","","0.71073","MoKα","","0.0573","0.0538","","","0.1245","0.1272","","","","","","1.096","","","","has coordinates","219632","2020-10-21","18:00:00",""
"4514444","17.1954","0.0005","11.6728","0.0003","25.8504","0.0009","90","","96.112","0.003","90","","5159.2","0.3","173","2","173.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 B Cl3 Ir N2 O6 S2 -","- C56 H49 B Cl3 Ir N2 O6 S2 -","- C224 H196 B4 Cl12 Ir4 N8 O24 S8 -","4","1","","Sun, Yuanhui; Yang, Xiaolong; Feng, Zhao; Liu, Boao; Zhong, Daokun; Zhang, Junjie; Zhou, Guijiang; Wu, Zhaoxin","Highly Efficient Deep-Red Organic Light-Emitting Devices Based on Asymmetric Iridium(III) Complexes with the Thianthrene 5,5,10,10-Tetraoxide Moiety.","ACS applied materials & interfaces","2019","11","29","26152","26164","10.1021/acsami.9b06749","","","0.71073","MoKα","","0.1154","0.0677","","","0.1242","0.1431","","","","","","1.027","","","","has coordinates","219633","2020-10-21","18:00:00",""
"4514445","7.2177","0.0004","10.8688","0.0004","22.4117","0.0009","90","","96.123","0.004","90","","1748.12","0.14","120","10","120","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N3 Ni O5 -","- C20 H13 N3 Ni O5 -","- C80 H52 N12 Ni4 O20 -","4","1","","Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng","Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.","ACS applied materials & interfaces","2019","11","29","25863","25869","10.1021/acsami.9b06114","","x-ray","0.71073","MoKα","","0.0721","0.0467","","","0.1057","0.1307","","","","","","0.833","","","","has coordinates","219634","2020-10-21","18:00:00",""
"4514446","14.9446","0.0004","17.4259","0.0005","22.8666","0.0006","90","","90","","90","","5955","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H22 N6 Ni O5 -","- C32 H22 N6 Ni O5 -","- C256 H176 N48 Ni8 O40 -","8","2","","Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng","Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.","ACS applied materials & interfaces","2019","11","29","25863","25869","10.1021/acsami.9b06114","","","0.71073","MoKα","","0.081","0.0632","","","0.1561","0.1729","","","","","","1.038","","","","has coordinates","219635","2020-10-21","18:00:00",""
"4514447","17.537","0.003","6.5494","0.001","27.351","0.004","90","","97.532","0.008","90","","3114.3","0.8","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 N28 O17 -","- C12 H26 N28 O17 -","- C48 H104 N112 O68 -","4","0.5","","Ma, Jinchao; Tang, Jie; Yang, Hongwei; Yi, Zhenxin; Wu, Ganggang; Zhu, Shunguan; Zhang, Wenchao; Li, Yanchun; Cheng, Guangbin","Polynitro-Functionalized Triazolylfurazanate Triaminoguanidine: Novel Green Primary Explosive with Insensitive Nature.","ACS applied materials & interfaces","2019","11","29","26053","26059","10.1021/acsami.9b08363","","","0.71073","MoKα","","0.1161","0.0978","","","0.2552","0.2713","","","","","","1.081","","","","has coordinates","219636","2020-10-21","18:00:00",""
"4514448","25.805","0.005","25.805","0.005","6.7837","0.0011","90","","90","","120","","3912.1","1.2","110","2","110","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C24 H5.26 Co6 I2.66 O18 -","- C24 H5.244 Co6 I2.613 O18 -","- C72 H15.732 Co18 I7.839 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.71073","MoKα","","0.2383","0.1265","","","0.25","0.3096","","","","","","1.008","","","","has coordinates,has disorder","219637","2020-10-21","18:00:00",""
"4514449","25.819","0.004","25.819","0.004","6.742","0.0014","90","","90","","120","","3892.2","1.2","100","2","100","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C24 H5.06 Co6 I3.49 O18 -","- C24 H5.055 Co6 I3.561 O18 -","- C72 H15.165 Co18 I10.683 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0611","0.0593","","","0.1489","0.1501","","","","","","1.045","","","","has coordinates,has disorder","219638","2020-10-21","18:00:00",""
"4514450","25.588","0.004","25.588","0.004","6.887","0.0014","90","","90","","120","","3905.1","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H6 Co6 I5.7 O18 -","- C24 H6 Co6 I5.784 O18 -","- C72 H18 Co18 I17.352 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.2881","0.1665","","","0.3126","0.355","","","","","","1.023","","","","has coordinates,has disorder","219639","2020-10-21","18:00:00",""
"4514451","25.802","0.0017","25.802","0.0017","6.784","0.002","90","","90","","120","","3911.3","1.2","100","2","100","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C24 H4.54 Co6 I5.71 O18 -","- C24 H4.509 Co6 I5.943 O18 -","- C72 H13.527 Co18 I17.829 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0632","0.0544","","","0.1295","0.1332","","","","","","1.034","","","","has coordinates,has disorder","219640","2020-10-21","18:00:00",""
"4514452","26.037","0.004","26.037","0.004","6.699","0.0013","90","","90","","120","","3933","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H6 Co6 I1.35 O18 -","- C24 H6 Co6 I1.644 O18 -","- C72 H18 Co18 I4.932 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0769","0.075","","","0.1927","0.1937","","","","","","1.044","","","","has coordinates","219641","2020-10-21","18:00:00",""
"4514453","16.6538","0.0015","26.557","0.002","33.04","0.003","90","","101.09","0.002","90","","14340","2","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C204 H260 F24 Mo24 N5 O104 P2 Zn8 -","- C204 H260 F24 Mo24 N5 O104 P2 Zn8 -","- C408 H520 F48 Mo48 N10 O208 P4 Zn16 -","2","0.25","","Li, Xiao-Xin; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Xin, Zhi-Feng; Li, Shun-Li; Huang-Fu, Xue-Qing; Huang, Kai; Lan, Ya-Qian","Hydrophobic Polyoxometalate-Based Metal-Organic Framework for Efficient CO<sub>2</sub> Photoconversion.","ACS applied materials & interfaces","2019","11","29","25790","25795","10.1021/acsami.9b03861","","","0.71073","MoKα","","0.0514","0.0402","","","0.0954","0.1035","","","","","","1.17","","","","has coordinates,has disorder","219642","2020-10-21","18:00:00",""
"4514454","15.9364","0.001","8.7847","0.0004","26.9921","0.0019","90","","102.532","0.007","90","","3688.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N2 S4 -","- C42 H46 N2 S4 -","- C168 H184 N8 S16 -","4","1","","Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung","Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.","ACS applied materials & interfaces","2019","11","24","21756","21765","10.1021/acsami.9b04284","","","1.54178","CuKα","","0.141","0.0789","","","0.1991","0.2616","","","","","","1.081","","","","has coordinates,has disorder","219643","2020-10-21","18:00:00",""
"4514455","8.5058","0.0002","13.0542","0.0003","7.9663","0.0002","90","","104.207","0.003","90","","857.5","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 S4 -","- C18 H14 N2 S4 -","- C36 H28 N4 S8 -","2","0.5","","Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung","Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.","ACS applied materials & interfaces","2019","11","24","21756","21765","10.1021/acsami.9b04284","","","1.54178","CuKα","","0.0398","0.0365","","","0.0968","0.1007","","","","","","1.05","","","","has coordinates","219644","2020-10-21","18:00:00",""
"4514456","14.263","0.003","5.4465","0.0011","19.286","0.003","90","","99.215","0.014","90","","1478.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 S4 -","- C30 H38 N2 S4 -","- C60 H76 N4 S8 -","2","0.5","","Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung","Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.","ACS applied materials & interfaces","2019","11","24","21756","21765","10.1021/acsami.9b04284","","","1.54178","CuKα","","0.1518","0.1128","","","0.2911","0.3379","","","","","","1.116","","","","has coordinates","219645","2020-10-21","18:00:00",""
"4514457","14.1619","0.0004","16.7951","0.0005","23.6544","0.0008","90","","90","","90","","5626.2","0.3","100","2","100","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","(Rac)-AlaNDI-Cd","","","- C107 H111 Cd4 N17 O41 -","- C107 H111 Cd4 N17 O41 -","- C214 H222 Cd8 N34 O82 -","2","0.5","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak","Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.","ACS applied materials & interfaces","2019","11","22","20174","20182","10.1021/acsami.9b04653","","","0.71073","MoKα","","0.1587","0.1158","","","0.2272","0.2519","","","","","","1.096","","","","has coordinates,has disorder","219646","2020-10-21","18:00:00",""
"4514458","16.7454","0.0006","23.717","0.0008","14.1718","0.0005","90","","90","","90","","5628.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(R)-AlaNDI-Cd","","","- C107 H111 Cd4 N17 O41 -","- C107 H111 Cd4 N17 O41 -","- C214 H222 Cd8 N34 O82 -","2","0.5","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak","Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.","ACS applied materials & interfaces","2019","11","22","20174","20182","10.1021/acsami.9b04653","","","0.71073","MoKα","","0.0781","0.0618","","","0.1362","0.1456","","","","","","1.073","","","","has coordinates,has disorder","219647","2020-10-21","18:00:00",""
"4514459","26.326","0.0013","26.326","","26.326","","90","","90","","90","","18245.5","0.9","103","2","103","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C331.78 H313.34 Cu48 O278.78 P14.59 -","- C331.52 H313.92 Cu48 O278.4 P14.4 -","- C331.52 H313.92 Cu48 O278.4 P14.4 -","1","0.00520833","","Qi, Xiao-Lin; Zhou, Dong-Dong; Zhang, Jing; Hu, Shuang; Haranczyk, Maciej; Wang, De-Yi","Simultaneous Improvement of Mechanical and Fire-Safety Properties of Polymer Composites with Phosphonate-Loaded MOF Additives.","ACS applied materials & interfaces","2019","11","22","20325","20332","10.1021/acsami.9b02357","","","0.82657","synchrotron","","0.0749","0.0722","","","0.2466","0.2487","","","","","","1.09","","","","has coordinates,has disorder","219648","2020-10-21","18:00:00",""
"4514460","14.139","0.002","5.4582","0.0009","17.551","0.003","90","","113.091","0.002","90","","1246","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0758","0.0547","","","0.131","0.1446","","","","","","1.073","","","","has coordinates","219649","2020-10-21","18:00:00",""
"4514461","12.091","0.002","14.151","0.003","7.3872","0.0015","90","","90.06","0.03","90","","1263.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0804","0.0521","","","0.1301","0.1425","","","","","","1.006","","","","has coordinates","219650","2020-10-21","18:00:00",""
"4514462","4.7869","0.0003","10.7951","0.0008","12.763","0.0009","109.571","0.003","91.067","0.003","91.47","0.003","620.96","0.08","100","2","100","","","","","","","","","4","P 1","P 1","1","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","2","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0934","0.0692","","","0.1661","0.1803","","","","","","1.036","","","","has coordinates","219651","2020-10-21","18:00:00",""
"4514463","10.0401","0.0004","23.4802","0.0011","16.1398","0.0006","90","","91.345","0.004","90","","3803.8","0.3","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H11 N O2 S2 -","- C71 H11 N O2 S2 -","- C284 H44 N4 O8 S8 -","4","1","","Liu, Hao-Ran; Li, Shu-Hui; Deng, Lin-Long; Wang, Ze-Yu; Xing, Zhou; Rong, Xiang; Tian, Han-Rui; Li, Xin; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Pyridine-Functionalized Fullerene Electron Transport Layer for Efficient Planar Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","27","23982","23989","10.1021/acsami.9b03304","","x-ray","1.54184","CuKα","","0.0821","0.0607","","","0.1541","0.1769","","","","","","1.044","","","","has coordinates","219652","2020-10-21","18:00:00",""
"4514464","10.8516","0.0002","12.9946","0.0003","27.6264","0.0007","90","","99.212","0.001","90","","3845.42","0.15","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 Cl2 Cu4 N28 O50 P W12 -","- C36 H24 Cl2 Cu4 N28 O50.564 P W12 -","- C72 H48 Cl4 Cu8 N56 O101.128 P2 W24 -","2","0.5","","Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan","Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.","ACS applied materials & interfaces","2019","11","41","37908","37919","10.1021/acsami.9b14928","","","0.71073","MoKα","","0.0563","0.0469","","","0.0905","0.094","","","","","","1.078","","","","has coordinates,has disorder","219653","2020-10-21","18:00:00",""
"4514465","20.88","0.003","20.543","0.003","20.654","0.003","90","","113.765","0.003","90","","8108","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl3 Cu17 N36 O41 P W12 -","- C24 H24 Cl3 Cu17 N36 O41 P W12 -","- C96 H96 Cl12 Cu68 N144 O164 P4 W48 -","4","0.5","","Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan","Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.","ACS applied materials & interfaces","2019","11","41","37908","37919","10.1021/acsami.9b14928","","","0.71073","MoKα","","0.0469","0.0337","","","0.0773","0.0837","","","","","","1.025","","","","has coordinates,has disorder","219654","2020-10-21","18:00:00",""
"4514466","12.1029","0.0002","12.1029","0.0002","4.8825","0.0001","90","","90","","120","","619.372","0.019","293","2","293","2","","","","","","","","7","P 3 m 1","P 3 -2""","156","","","","- Al5.56 Eu0.15 Li N23.1 O6.32 Si14.27 Sr3.43 -","- Al5.5596 Eu0.1528 Li N23.0958 O6.3181 Si14.268 Sr3.4334 -","- Al5.5596 Eu0.1528 Li N23.0958 O6.3181 Si14.268 Sr3.4334 -","1","0.166667","","Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto","New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.","ACS applied materials & interfaces","2019","11","32","29047","29055","10.1021/acsami.9b09982","","","0.71073","MoKα","","0.0388","0.0301","","","","0.0656","","","","","","0.983","","","","has coordinates","219655","2020-10-21","18:00:00",""
"4514467","12.168","0.0006","12.168","0.0006","4.829","0.0003","90","","90","","120","","619.19","0.06","293","2","293","2","","","","","","","","7","P 3 m 1","P 3 -2""","156","","","","- Al4.51 Eu0.41 La3.19 Li N27.28 O2.12 Si15.29 -","- Al4.511 Eu0.4131 La3.1854 Li N27.2816 O2.1199 Si15.2921 -","- Al4.511 Eu0.4131 La3.1854 Li N27.2816 O2.1199 Si15.2921 -","1","0.166667","","Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto","New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.","ACS applied materials & interfaces","2019","11","32","29047","29055","10.1021/acsami.9b09982","","","0.71073","MoKα","","0.0302","0.0282","","","","0.067","","","","","","1.044","","","","has coordinates","219656","2020-10-21","18:00:00",""
"4514468","12.1213","0.00011","12.1213","0.00011","4.89283","0.00005","90","","90","","120","","622.571","0.01","293","2","293","2","","","","","","","","6","P 3 m 1","P 3 -2""","156","","","","- Al6.03 Eu3.6 Li N22.59 O6.82 Si13.78 -","- Al6.0294 Eu3.5961 Li N22.5851 O6.8186 Si13.7782 -","- Al6.0294 Eu3.5961 Li N22.5851 O6.8186 Si13.7782 -","1","0.166667","","Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto","New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.","ACS applied materials & interfaces","2019","11","32","29047","29055","10.1021/acsami.9b09982","","","0.71073","MoKα","","0.0151","0.0151","","","","0.0367","","","","","","1.118","","","","has coordinates","219657","2020-10-21","18:00:00",""
"4514469","9.5049","0.0008","10.4264","0.0009","14.3841","0.0012","89.746","0.002","88.922","0.002","68.263","0.001","1323.89","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N2 O10 Tb -","- C21 H23 N2 O10 Tb -","- C42 H46 N4 O20 Tb2 -","2","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.1159","0.1071","","","0.2821","0.2917","","","","","","1.226","","","","has coordinates","219658","2020-10-21","18:00:00",""
"4514470","9.2506","0.0008","10.1406","0.0009","13.9291","0.0011","89.775","0.002","88.899","0.002","68.115","0.001","1212.25","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Gd N2 O10 -","- C21 H23 Gd N2 O10 -","- C42 H46 Gd2 N4 O20 -","2","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0549","0.0458","","","0.1129","0.1183","","","","","","0.986","","","","has coordinates","219659","2020-10-21","18:00:00",""
"4514471","24.491","0.004","13.587","0.002","14.903","0.003","90","","125.108","0.002","90","","4056.9","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N O9 Tb -","- C19 H18 N O9 Tb -","- C152 H144 N8 O72 Tb8 -","8","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0476","0.0354","","","0.0933","0.1021","","","","","","1.083","","","","has coordinates,has disorder","219660","2020-10-21","18:00:00",""
"4514472","24.491","0.005","13.58","0.003","14.922","0.003","90","","124.998","0.002","90","","4065.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Gd N O9 -","- C19 H18 Gd N O9 -","- C152 H144 Gd8 N8 O72 -","8","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0567","0.0401","","","0.1043","0.1149","","","","","","1.076","","","","has coordinates,has disorder","219661","2020-10-21","18:00:00",""
"4514473","9.3443","0.0008","10.2351","0.0009","14.062","0.0013","89.791","0.002","88.975","0.002","68.126","0.001","1247.86","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Eu N2 O10 -","- C21 H23 Eu N2 O10 -","- C42 H46 Eu2 N4 O20 -","2","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.1097","0.0797","","","0.1945","0.2149","","","","","","1.014","","","","has coordinates","219662","2020-10-21","18:00:00",""
"4514474","24.4269","0.0019","13.6018","0.0009","14.9262","0.001","90","","124.984","0.003","90","","4063.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Eu N O9 -","- C19 H18 Eu N O9 -","- C152 H144 Eu8 N8 O72 -","8","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0808","0.0606","","","0.1618","0.2035","","","","","","1.089","","","","has coordinates,has disorder","219663","2020-10-21","18:00:00",""
"4514475","20.538","0.01","29.027","0.013","34.825","0.015","90","","90","","90","","20761","16","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C84 H57 Mn6 N6 O41 P6 -","- C84 H57 Mn6 N6 O41 P6 -","- C336 H228 Mn24 N24 O164 P24 -","4","0.5","","Li, Bao; Chen, Xi; Hu, Peng; Kirchon, Angelo; Zhao, Yu-Meng; Pang, Jiandong; Zhang, Tianle; Zhou, Hong-Cai","Facile Fabrication of a Multifunctional Metal-Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules.","ACS applied materials & interfaces","2019","11","8","8227","8233","10.1021/acsami.8b19815","","","0.71073","MoKα","","0.1174","0.0933","","","0.2452","0.2677","","","","","","1.018","","","","has coordinates","219664","2020-10-21","18:00:00",""
"4514476","21.0921","0.0011","28.4208","0.0008","34.8069","0.0008","90","","90","","90","","20865.1","1.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C92 H66 Mn6 N6 O43 P6 -","- C92 H66 Mn6 N6 O43 P6 -","- C368 H264 Mn24 N24 O172 P24 -","4","0.5","","Li, Bao; Chen, Xi; Hu, Peng; Kirchon, Angelo; Zhao, Yu-Meng; Pang, Jiandong; Zhang, Tianle; Zhou, Hong-Cai","Facile Fabrication of a Multifunctional Metal-Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules.","ACS applied materials & interfaces","2019","11","8","8227","8233","10.1021/acsami.8b19815","","","1.54178","CuKα","","0.1215","0.0722","","","0.1828","0.2024","","","","","","0.837","","","","has coordinates","219664","2020-10-21","18:00:00",""
"4514477","21.3046","0.0003","7.792","0.0001","20.9345","0.0002","90","","94.21","0.001","90","","3465.86","0.07","123.08","0.13","123.08","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 O4 Pt2 S2 -","- C34 H44 N2 O4 Pt2 S2 -","- C136 H176 N8 O16 Pt8 S8 -","4","1","","Shafikov, Marsel Z.; Daniels, Ruth; Pander, Piotr; Dias, Fernando B.; Williams, J. A. Gareth; Kozhevnikov, Valery N.","Dinuclear Design of a Pt(II) Complex Affording Highly Efficient Red Emission: Photophysical Properties and Application in Solution-Processible OLEDs.","ACS applied materials & interfaces","2019","11","8","8182","8193","10.1021/acsami.8b18928","","x-ray","0.71073","MoKα","","0.0508","0.0335","","","0.0709","0.0803","","","","","","1.088","","","","has coordinates","219665","2020-10-21","18:00:00",""
"4514478","6.7975","0.0004","9.4394","0.0005","16.9641","0.0007","93.738","0.004","93.268","0.004","104.245","0.004","1049.77","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N4 S2 -","- C25 H18 N4 S2 -","- C50 H36 N8 S4 -","2","1","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","1.54178","CuKα","","0.0449","0.0417","","","0.1186","0.1227","","","","","","1.028","","","","has coordinates","219666","2020-10-21","18:00:00",""
"4514479","11.1382","0.0016","17.768","0.003","21.868","0.003","90","","90.495","0.013","90","","4327.6","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N4 O -","- C27 H20 N4 O -","- C216 H160 N32 O8 -","8","2","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","0.71073","MoKα","","0.1487","0.0724","","","0.1492","0.1935","","","","","","1.003","","","","has coordinates","219667","2020-10-21","18:00:00",""
"4514480","10.2274","0.0004","12.2056","0.0005","17.6598","0.0008","93.504","0.004","91.057","0.004","97.838","0.003","2179.02","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N4 S -","- C27 H20 N4 S -","- C108 H80 N16 S4 -","4","2","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","1.54178","CuKα","","0.0576","0.0468","","","0.1311","0.1412","","","","","","1.033","","","","has coordinates","219668","2020-10-21","18:00:00",""
"4514481","6.9823","0.0005","9.2167","0.0005","16.928","0.0011","92.45","0.005","96.656","0.006","101.602","0.005","1057.48","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O S -","- C25 H18 N4 O S -","- C50 H36 N8 O2 S2 -","2","1","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","1.54178","CuKα","","0.0601","0.0483","","","0.1285","0.1414","","","","","","1.023","","","","has coordinates","219669","2020-10-21","18:00:00",""
"4514482","14.6254","0.0009","16.0784","0.0008","16.8019","0.0011","90","","102.263","0.007","90","","3860.9","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H0.25 Br O5 Se -","- C44 H33 Br O3 Se -","- C176 H132 Br4 O12 Se4 -","4","1","","Cao, Jian; Liu, Qi-Ming; Bai, Si-Jie; Wang, Hua-Chun; Ren, Xiancheng; Xu, Yun-Xiang","Ladder-Type Dye with Large Transition Dipole Moment for Solvatochromism and Microphase Visualization.","ACS applied materials & interfaces","2019","11","33","29814","29820","10.1021/acsami.9b07677","","x-ray","0.71073","MoKα","","0.1374","0.0591","","","0.1278","0.1559","","","","","","1.008","","","","has coordinates","219670","2020-10-21","18:00:00",""
"4514483","7.549","0.002","16.219","0.004","33.295","0.009","90","","90","","90","","4076.5","1.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylideneselanyl)copper(III) chloride","","- C18 H20 Cl Cu N4 Se2 -","- C18 H20 Cl Cu N4 Se2 -","- C144 H160 Cl8 Cu8 N32 Se16 -","8","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.1561","0.0674","","","0.1174","0.1434","","","","","","1.044","","","","has coordinates","219671","2020-10-21","18:00:00",""
"4514484","12.79","0.004","7.664","0.002","14.298","0.004","90","","95.515","0.007","90","","1395","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O2 Se -","- C13 H18 N2 O2 Se -","- C52 H72 N8 O8 Se4 -","4","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.078","0.0438","","","0.0977","0.1132","","","","","","1.068","","","","has coordinates,has disorder","219672","2020-10-21","18:00:00",""
"4514485","7.2756","0.0004","15.23","0.0007","10.5556","0.0006","90","","90","","90","","1169.64","0.11","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0734","0.0431","","","0.0906","0.1037","","","","","","1.004","","","","has coordinates","219673","2020-10-21","18:00:00",""
"4514486","9.1345","0.0007","16.4281","0.0012","8.2308","0.0007","90","","108.482","0.002","90","","1171.43","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","0.5","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0733","0.0455","","","0.1112","0.1267","","","","","","1.047","","","","has coordinates","219674","2020-10-21","18:00:00",""
"4514487","9.369","0.003","10.229","0.004","12.772","0.005","91.352","0.01","98.477","0.01","110.731","0.009","1128.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cl Cu N4 O2 Se2 -","- C20 H24 Cl Cu N4 O2 Se2 -","- C40 H48 Cl2 Cu2 N8 O4 Se4 -","2","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.1414","0.1227","","","0.3824","0.3953","","","","","","1.137","","","","has coordinates","219675","2020-10-21","18:00:00",""
"4514488","9.0796","0.0005","16.7307","0.0009","8.327","0.0004","90","","106.993","0.002","90","","1209.71","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N2 O2 Se -","- C11 H14 N2 O2 Se -","- C44 H56 N8 O8 Se4 -","4","0.5","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0548","0.0334","","","0.0815","0.0918","","","","","","1.03","","","","has coordinates","219676","2020-10-21","18:00:00",""
"4514489","8.4115","0.0006","8.968","0.0007","15.8989","0.0012","90.822","0.002","91.902","0.002","95.822","0.002","1192.29","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl4 Cu N4 Se2 -","- C18 H20 Cl4 Cu N4 Se2 -","- C36 H40 Cl8 Cu2 N8 Se4 -","2","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.032","0.0256","","","0.0559","0.0584","","","","","","1.045","","","","has coordinates","219677","2020-10-21","18:00:00",""
"4514490","7.4112","0.0008","9.1109","0.001","11.2644","0.0013","79.857","0.005","79.076","0.004","88.714","0.005","735.1","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl4 Cu2 N4 O6 S2 -","- C22 H30 Cl4 Cu2 N4 O6 S2 -","- C22 H30 Cl4 Cu2 N4 O6 S2 -","1","0.5","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0583","0.0423","","","0.1013","0.1099","","","","","","0.959","","","","has coordinates","219678","2020-10-21","18:00:00",""
"4514491","9.204","0.0009","9.5032","0.0011","11.03","0.0012","74.062","0.003","74.517","0.003","72.833","0.003","868.01","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N2 O2 -","- C22 H19 N2 O2 -","- C44 H38 N4 O4 -","2","1","","Zhuo, Ming-Peng; Fei, Xi-Yu; Tao, Yi-Chen; Fan, Jian; Wang, Xue-Dong; Xie, Wan-Feng; Liao, Liang-Sheng","In Situ Construction of One-Dimensional Component-Interchange Organic Core/Shell Microrods for Multicolor Continuous-Variable Optical Waveguide.","ACS applied materials & interfaces","2019","11","5","5298","5305","10.1021/acsami.8b22317","","","0.71073","MoKα","","0.1275","0.0935","","","0.2282","0.2569","","","","","","1.042","","","","has coordinates,has disorder","219679","2020-10-21","18:00:00",""
"4514492","10.3497","0.0014","10.3497","0.0014","10.3497","0.0014","90","","90","","90","","1108.6","0.3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 Na V -","- Cl6 Cs2 Na V -","- Cl24 Cs8 Na4 V4 -","4","0.0208333","","Cao, Xiangrong; Kang, Lei; Guo, Shaoxing; Zhang, Minggang; Lin, Zheshuai; Gao, Jianhua","Cs<sub>2</sub>NaVCl<sub>6</sub>: A Pb-Free Halide Double Perovskite with Strong Visible and Near-Infrared Light Absorption.","ACS applied materials & interfaces","2019","11","42","38648","38653","10.1021/acsami.9b11980","","","0.71073","MoKα","","0.0089","0.0089","","","0.0259","0.0259","","","","","","1.316","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4514493","9.956","0.0004","28.6966","0.0011","12.1913","0.0004","90","","97.512","0.002","90","","3453.2","0.2","170","2","169.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 N2 O4 -","- C43 H40 N2 O4 -","- C172 H160 N8 O16 -","4","1","","Fang, Lingyi; Zheng, Aibin; Ren, Ming; Xie, Xinrui; Wang, Peng","Unraveling the Structure-Property Relationship of Molecular Hole-Transporting Materials for Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","42","39001","39009","10.1021/acsami.9b13189","","","0.71073","MoKα","","0.1343","0.0589","","","0.1116","0.1374","","","","","","1.003","","","","has coordinates","219681","2020-10-21","18:00:00",""
"4514494","12.8981","0.0005","14.2252","0.0005","14.3543","0.0006","105.562","0.001","102.057","0.001","115.755","0.001","2118.25","0.15","170","2","169.99","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H48 N2 O4 -","- C55 H48 N2 O4 -","- C110 H96 N4 O8 -","2","1","","Fang, Lingyi; Zheng, Aibin; Ren, Ming; Xie, Xinrui; Wang, Peng","Unraveling the Structure-Property Relationship of Molecular Hole-Transporting Materials for Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","42","39001","39009","10.1021/acsami.9b13189","","","0.71073","MoKα","","0.0843","0.0602","","","0.1554","0.1763","","","","","","1.027","","","","has coordinates","219682","2020-10-21","18:00:00",""
"4514495","26.243","0.003","10.2462","0.0006","15.509","0.0012","90","","103.808","0.008","90","","4049.7","0.6","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N2 O4 S3 -","- C48 H38 N2 O4 S3 -","- C192 H152 N8 O16 S12 -","4","0.5","","Fang, Lingyi; Zheng, Aibin; Ren, Ming; Xie, Xinrui; Wang, Peng","Unraveling the Structure-Property Relationship of Molecular Hole-Transporting Materials for Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","42","39001","39009","10.1021/acsami.9b13189","","","0.71073","MoKα","","0.0794","0.0497","","","0.1185","0.14","","","","","","1.021","","","","has coordinates","219683","2020-10-21","18:00:00",""
"4514496","21.114","0.002","21.114","","44.213","0.005","90","","90","","120","","17070","3","298","2","298","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C126 H210 Cl4 K Na7 O154 Si W12 -","- C126 H201 Cl4 K Na7 O154 Si W12 -","- C378 H603 Cl12 K3 Na21 O462 Si3 W36 -","3","0.333333","","Ni, Lubin; Li, Huan; Xu, Hongjie; Shen, Chao; Liu, Ruzhang; Xie, Ju; Zhang, Fengmin; Chen, Chong; Zhao, Hongxia; Zuo, Tongfei; Diao, Guowang","Self-Assembled Supramolecular Polyoxometalate Hybrid Architecture as a Multifunctional Oxidation Catalyst.","ACS applied materials & interfaces","2019","11","42","38708","38718","10.1021/acsami.9b12531","","","0.71073","MoKα","","0.0393","0.0318","","","0.0878","0.0925","","","","","","1.026","","","","has coordinates","287896","2023-11-30","16:33:03",""
"4514497","24.0332","0.0005","23.8074","0.0005","34.8396","0.0008","90","","97.346","0.002","90","","19770.5","0.7","100","0.15","100","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111 H69 N26 O19 Zn8 -","- C111 H69.0012 N26 O19.0006 Zn8.0006 -","- C444 H276.005 N104 O76.0024 Zn32.0024 -","4","0.5","","Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan","Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.","ACS applied materials & interfaces","2019","11","42","38503","38509","10.1021/acsami.9b14121","","x-ray","1.54184","CuKα","","0.1079","0.0864","","","0.2396","0.2626","","","","","","1.01","","","","has coordinates,has disorder","219685","2020-10-21","18:00:00",""
"4514498","17.0241","0.0005","18.1149","0.0006","22.7218","0.0008","69.849","0.003","73.779","0.003","69.486","0.003","6060","0.4","99.99","0.14","99.99","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C111 H63 N26 O18 Zn8 -","- C111 H63 N26 O18 Zn8 -","- C222 H126 N52 O36 Zn16 -","2","1","","Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan","Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.","ACS applied materials & interfaces","2019","11","42","38503","38509","10.1021/acsami.9b14121","","x-ray","1.54184","CuKα","","0.1238","0.078","","","0.2063","0.2334","","","","","","0.973","","","","has coordinates,has disorder","219685","2020-10-21","18:00:00",""
"4514499","20.5074","0.0009","29.3383","0.0012","26.3661","0.0014","90","","106.383","0.005","90","","15219.1","1.3","99.99","0.14","99.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C111 H61 N26 O21 Zn8 -","- C111 H61 N26 O21 Zn8 -","- C444 H244 N104 O84 Zn32 -","4","1","","Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan","Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.","ACS applied materials & interfaces","2019","11","42","38503","38509","10.1021/acsami.9b14121","","x-ray","1.54184","CuKα","","0.2302","0.1432","","","0.3601","0.4287","","","","","","1.109","","","","has coordinates","219685","2020-10-21","18:00:00",""
"4514500","7.9887","0.0015","8.5278","0.0016","15.021","0.003","97.619","0.002","100.389","0.002","108.692","0.002","933.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cd2 N8 O10 -","- C34 H32 Cd2 N8 O10 -","- C34 H32 Cd2 N8 O10 -","1","0.5","","Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin","Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.","ACS applied materials & interfaces","2019","11","39","36081","36089","10.1021/acsami.9b11650","","","0.71073","MoKα","","0.0438","0.0363","","","0.0964","0.1067","","","","","","1.092","","","","has coordinates","219687","2020-10-21","18:00:00",""
"4514501","9.178","0.003","19.687","0.007","12.828","0.005","90","","100.207","0.004","90","","2281.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd2 N8 O16 -","- C46 H40 Cd2 N8 O16 -","- C92 H80 Cd4 N16 O32 -","2","0.5","","Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin","Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.","ACS applied materials & interfaces","2019","11","39","36081","36089","10.1021/acsami.9b11650","","","0.71073","MoKα","","0.0396","0.0299","","","0.0786","0.0835","","","","","","1.036","","","","has coordinates","219687","2020-10-21","18:00:00",""
"4514502","20.172","0.002","22.752","0.002","10.0747","0.0011","90","","94.561","0.002","90","","4609.2","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd2 N8 O15 S -","- C36 H38 Cd2 N8 O15 S -","- C144 H152 Cd8 N32 O60 S4 -","4","0.5","","Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin","Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.","ACS applied materials & interfaces","2019","11","39","36081","36089","10.1021/acsami.9b11650","","","0.71073","MoKα","","0.0846","0.0495","","","0.1483","0.173","","","","","","1.11","","","","has coordinates","219687","2020-10-21","18:00:00",""
"4514503","5.5082","","5.4369","","7.7368","","90","","90.05","","90","","231.698","","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co La2 Mn O6 -","- Co La2 Mn O6 -","- Co2 La4 Mn2 O12 -","2","0.5","","Luo, Xinsheng; Bai, Langming; Xing, Jiajian; Zhu, Xuewu; Xu, Daliang; Xie, Binghan; Gan, Zhendong; Li, Guibai; Liang, Heng","Ordered Mesoporous Cobalt Containing Perovskite as a High-Performance Heterogeneous Catalyst in Activation of Peroxymonosulfate.","ACS applied materials & interfaces","2019","11","39","35720","35728","10.1021/acsami.9b11322","","","","","","","","","","","","","","","","","","","","","has coordinates","219688","2020-10-21","18:00:00",""
"4514504","10.0344","0.0007","17.3268","0.0009","11.3146","0.0007","90","","109.554","0.008","90","","1853.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Lu N4 O10 -","- C15 H15 Lu N4 O10 -","- C60 H60 Lu4 N16 O40 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0516","0.043","","","0.1011","0.1103","","","","","","1.059","","","","has coordinates","219689","2020-10-21","18:00:00",""
"4514505","10.2658","0.0003","17.439","0.0005","11.4882","0.0003","90","","109.892","0.004","90","","1933.97","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N7 Nd2 O19 -","- C27 H23 N7 Nd2 O19 -","- C54 H46 N14 Nd4 O38 -","2","0.5","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","x-ray","0.71073","MoKα","","0.059","0.041","","","0.0986","0.1115","","","","","","1.104","","","","has coordinates","219690","2020-10-21","18:00:00",""
"4514506","10.3671","0.0006","17.2965","0.0006","11.4073","0.0006","90","","110.145","0.006","90","","1920.36","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12.75 H8 La N3 O10.5 -","- C12.75 H8 La N3 O10.5 -","- C51 H32 La4 N12 O42 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.095","0.0557","","","0.1199","0.1421","","","","","","1.124","","","","has coordinates","219691","2020-10-21","18:00:00",""
"4514507","10.1657","0.0004","17.0733","0.0008","11.2076","0.0005","90","","109.154","0.005","90","","1837.53","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Eu N3 O11 -","- C13 H7 Eu N3 O11 -","- C52 H28 Eu4 N12 O44 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0549","0.0402","","","0.0716","0.0803","","","","","","1.077","","","","has coordinates","219692","2020-10-21","18:00:00",""
"4514508","10.0313","0.0004","16.9997","0.0006","11.1179","0.0006","90","","109.019","0.005","90","","1792.43","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Lu N3 O11 -","- C13 H8 Lu N3 O11 -","- C52 H32 Lu4 N12 O44 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0548","0.0365","","","0.073","0.0843","","","","","","1.063","","","","has coordinates","219693","2020-10-21","18:00:00",""
"4514509","10.3667","0.0006","17.503","0.0005","11.4375","0.0005","90","","110.563","0.006","90","","1943.09","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H La N3 O9 -","- C12 H8 La N3 O9 -","- C48 H32 La4 N12 O36 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0808","0.0566","","","0.1143","0.1267","","","","","","1.126","","","","has coordinates","219694","2020-10-21","18:00:00",""
"4514510","10.2441","0.0004","17.1637","0.0005","11.2495","0.0003","90","","109.322","0.004","90","","1866.55","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12.75 H8 N3 Nd O10.5 -","- C12.75 H8 N3 Nd O10.5 -","- C51 H32 N12 Nd4 O42 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0655","0.0461","","","0.0901","0.1035","","","","","","1.105","","","","has coordinates","219695","2020-10-21","18:00:00",""
"4514511","10.0804","0.0003","16.9849","0.0004","11.1414","0.0004","90","","109.08","0.004","90","","1802.77","0.1","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Dy N3 O11 -","- C13 H8 Dy N3 O11 -","- C52 H32 Dy4 N12 O44 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","x-ray","0.71073","MoKα","","0.045","0.0323","","","0.059","0.0658","","","","","","1.066","","","","has coordinates","219696","2020-10-21","18:00:00",""
"4514512","6.43","0.0005","27.6956","0.0019","6.6958","0.0005","90","","115.348","0.002","90","","1077.61","0.14","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H22 O17 Sr -","- C19 H22 O17 Sr -","- C38 H44 O34 Sr2 -","2","0.5","","Usman, Muhammad; Bera, Krishna Prasad; Haider, Golam; Sainbileg, Batjargal; Hayashi, Michitoshi; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Yang-Fang; Lu, Kuang-Lieh","Single-Molecule-Based Electroluminescent Device as Future White Light Source.","ACS applied materials & interfaces","2019","11","4","4084","4092","10.1021/acsami.8b17107","","","0.71073","MoKα","","0.0677","0.0604","","","0.1513","0.1549","","","","","","1.166","","","","has coordinates","219697","2020-10-21","18:00:00",""
"4514513","29.191","0.0011","29.191","0.0011","12.9618","0.0007","90","","90","","120","","9565.2","0.7","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C153 H171 Cd3 N45 O54 -","- C144 H96 Cd3 N36 O30 -","- C288 H192 Cd6 N72 O60 -","2","0.0833333","","Han, Xue; Xu, Ya-Xin; Yang, Jin; Xu, Xianxiu; Li, Cheng-Peng; Ma, Jian-Fang","Metal-Assembled, Resorcin[4]arene-Based Molecular Trimer for Efficient Removal of Toxic Dichromate Pollutants and Knoevenagel Condensation Reaction.","ACS applied materials & interfaces","2019","11","17","15591","15597","10.1021/acsami.9b02068","","","0.71073","MoKα","","0.1431","0.0804","","","0.2409","0.2804","","","","","","1.031","","","","has coordinates","219698","2020-10-21","18:00:00",""
"4514514","3.7703","0.0002","27.5034","0.0016","29.3675","0.0016","90","","92.841","0.006","90","","3041.6","0.3","100","0.3","100","0.3","","","","","","","","3","I 1 2/m 1","-I 2y","12","","PFC-1","","- C44 H26 O8 -","- C44 H26 O8 -","- C88 H52 O16 -","2","0.25","","Yin, Qi; Li, Yu-Lin; Li, Lan; Lü, Jian; Liu, Tian-Fu; Cao, Rong","Novel Hierarchical Meso-Microporous Hydrogen-Bonded Organic Framework for Selective Separation of Acetylene and Ethylene versus Methane.","ACS applied materials & interfaces","2019","11","19","17823","17827","10.1021/acsami.9b03696","","x-ray","1.54184","CuKα","","0.0799","0.0549","","","0.175","0.1931","","","","","","1.056","","","","has coordinates","219699","2020-10-21","18:00:00",""
"4514515","7.1479","0.0006","26.071","0.003","30.737","0.003","90","","90","","90","","5727.9","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H25 N3 O -","- C40 H25 N3 O -","- C320 H200 N24 O8 -","8","1","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1307","0.0566","","","0.1116","0.1408","","","","","","0.997","","","","has coordinates","219700","2020-10-21","18:00:00",""
"4514516","23.862","0.003","18.116","0.002","10.8546","0.0012","90","","95.756","0.004","90","","4668.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H57 N3 O -","- C56 H57 N3 O -","- C224 H228 N12 O4 -","4","1","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1227","0.0592","","","0.1109","0.1329","","","","","","1.002","","","","has coordinates","219701","2020-10-21","18:00:00",""
"4514517","11.8629","0.0016","24.594","0.004","31.441","0.005","90","","90","","90","","9173","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 N3 O -","- C56 H57 N3 O -","- C448 H456 N24 O8 -","8","2","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1245","0.0636","","","0.112","0.1356","","","","","","1.006","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514518","14.2576","0.0013","11.3297","0.001","15.2584","0.0014","90","","94.826","0.009","90","","2456","0.4","293","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Br5 Cu2 N3 -","- C12 H36 Br5 Cu2 N3 -","- C48 H144 Br20 Cu8 N12 -","4","0.5","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.109","0.0639","","","0.1274","0.1583","","","","","","1.058","","","","has coordinates","219703","2020-10-21","18:00:00",""
"4514519","13.049","0.002","10.2073","0.0012","15.993","0.002","90","","92.305","0.015","90","","2128.5","0.5","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Br2 Cu N -","- C16 H36 Br2 Cu N -","- C64 H144 Br8 Cu4 N4 -","4","0.5","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.1091","0.048","","","0.0829","0.1012","","","","","","1.01","","","","has coordinates","219704","2020-10-21","18:00:00",""
"4514520","10.0193","0.0011","11.1991","0.0012","19.364","0.002","73.838","0.01","84.077","0.009","88.098","0.009","2075.7","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H60 Br6 Cu4 N2 -","- C26 H60 Br6 Cu4 N2 -","- C52 H120 Br12 Cu8 N4 -","2","1","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.1911","0.0654","","","0.1312","0.1864","","","","","","0.936","","","","has coordinates","219705","2020-10-21","18:00:00",""
"4514521","8.9036","0.0011","7.5883","0.0014","13.0176","0.0013","90","","91.001","0.01","90","","879.4","0.2","293","2","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H28 Br2 Cu N -","- C12 H28 Br2 Cu N -","- C24 H56 Br4 Cu2 N2 -","2","0.5","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.1264","0.0586","","","0.13","0.1694","","","","","","1.023","","","","has coordinates","219706","2020-10-21","18:00:00",""
"4514522","8.3505","0.0008","13.7641","0.0013","11.0507","0.0011","90","","97.076","0.009","90","","1260.5","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Br2 Cu N -","- C8 H20 Br2 Cu N -","- C32 H80 Br8 Cu4 N4 -","4","1","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.0859","0.048","","","0.108","0.1261","","","","","","1.04","","","","has coordinates","219707","2020-10-21","18:00:00",""
"4514523","8.2262","0.0014","8.2262","0.0014","8.2262","0.0014","90","","90","","90","","556.67","0.16","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li Mn2 O4 -","- Li0.9693 Mn2.0307 O4 -","- Li7.7544 Mn16.2456 O32 -","8","0.0416667","","Xie, Yin; Jin, Yongcheng; Xiang, Lan","Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.","ACS applied materials & interfaces","2019","11","16","14796","14802","10.1021/acsami.9b01651","","","","","","","","","","","","","","","","","","","","","has coordinates","219708","2020-10-21","18:00:00",""
"4514524","8.2324","","8.2324","","8.2324","","90","","90","","90","","557.93","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li1.036 Mn1.964 O4 -","- Li1.071 Mn1.9468 O4 -","- Li8.568 Mn15.5744 O32 -","8","0.0416667","","Xie, Yin; Jin, Yongcheng; Xiang, Lan","Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.","ACS applied materials & interfaces","2019","11","16","14796","14802","10.1021/acsami.9b01651","","","","","","","","","","","","","","","","","","","","","has coordinates","219709","2020-10-21","18:00:00",""
"4514525","8.1335","0.0008","8.1335","0.0008","8.1335","0.0008","90","","90","","90","","538.06","0.09","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li1.37 Mn1.85 O4 -","- Li1.395 Mn1.782 O3.992 -","- Li11.16 Mn14.256 O31.936 -","8","0.0416667","","Xie, Yin; Jin, Yongcheng; Xiang, Lan","Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.","ACS applied materials & interfaces","2019","11","16","14796","14802","10.1021/acsami.9b01651","","","","","","","","","","","","","","","","","","","","","has coordinates","219710","2020-10-21","18:00:00",""
"4514526","12.009","0.0006","14.2052","0.0008","15.3595","0.001","110.578","0.006","101.652","0.005","101.944","0.005","2289.4","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N4 O2 -","- C36 H38 N4 O2 -","- C108 H114 N12 O6 -","3","1.5","","Wu, Jung-Tsu; Lin, Hsiang-Ting; Liou, Guey-Sheng","Synthesis and Characterization of Novel Triarylamine Derivatives with Dimethylamino Substituents for Application in Optoelectronic Devices.","ACS applied materials & interfaces","2019","11","16","14902","14908","10.1021/acsami.9b00402","","","0.71073","MoKα","","0.1453","0.086","","","0.2221","0.2536","","","","","","1.276","","","","has coordinates,has disorder","219711","2020-10-21","18:00:00",""
"4514527","11.0103","0.0009","15.2608","0.001","22.078","0.0016","87.653","0.006","84.603","0.006","70.838","0.007","3488.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C168 H168 N16 O8 -","4","2","","Wu, Jung-Tsu; Lin, Hsiang-Ting; Liou, Guey-Sheng","Synthesis and Characterization of Novel Triarylamine Derivatives with Dimethylamino Substituents for Application in Optoelectronic Devices.","ACS applied materials & interfaces","2019","11","16","14902","14908","10.1021/acsami.9b00402","","","0.71073","MoKα","","0.1657","0.0959","","","0.2405","0.2746","","","","","","1.384","","","","has coordinates,has disorder","219712","2020-10-21","18:00:00",""
"4514528","20.896","0.0014","9.188","0.0006","12.12","0.0006","90","","96.406","0.006","90","","2312.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Fe N4 O4 -","- C28 H21 Fe N4 O4 -","- C112 H84 Fe4 N16 O16 -","4","1","","Chen, Gui; Lan, Hai-Hang; Cai, Song-Liang; Sun, Bing; Li, Xin-Le; He, Zi-Hao; Zheng, Sheng-Run; Fan, Jun; Liu, Yi; Zhang, Wei-Guang","Stable Hydrazone-Linked Covalent Organic Frameworks Containing O,N,O'-Chelating Sites for Fe(III) Detection in Water.","ACS applied materials & interfaces","2019","11","13","12830","12837","10.1021/acsami.9b02640","","","0.71073","MoKα","","0.0989","0.0812","","","0.2044","0.2168","","","","","","1.16","","","","has coordinates","219713","2020-10-21","18:00:00",""
"4514529","18.5315","0.0014","11.0275","0.0007","17.8799","0.0015","90","","93.856","0.005","90","","3645.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 B F2 N3 O5 -","- C37 H54 B F2 N3 O5 -","- C148 H216 B4 F8 N12 O20 -","4","1","","Wang, Xinyue; Anton, Nicolas; Ashokkumar, Pichandi; Anton, Halina; Fam, Tkhe Kyong; Vandamme, Thierry; Klymchenko, Andrey S.; Collot, Mayeul","Optimizing the Fluorescence Properties of Nanoemulsions for Single Particle Tracking in Live Cells.","ACS applied materials & interfaces","2019","11","14","13079","13090","10.1021/acsami.8b22297","","","1.54178","CuKα","","0.2047","0.1278","","","0.3441","0.4023","","","","","","1.045","","","","has coordinates","219714","2020-10-21","18:00:00",""
"4514530","14.412","0.005","21.469","0.005","35.264","0.005","90","","90","","90","","10911","5","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C90 H78 Co5 N4 O34 -","- C90 H78 Co5 N4 O34 -","- C360 H312 Co20 N16 O136 -","4","0.25","","Natarajan, Kaushik; Gupta, Anoop K.; Ansari, Shagufi Naz; Saraf, Mohit; Mobin, Shaikh M.","Mixed-Ligand-Architected 2D Co(II)-MOF Expressing a Novel Topology for an Efficient Photoanode for Water Oxidation Using Visible Light.","ACS applied materials & interfaces","2019","11","14","13295","13303","10.1021/acsami.9b01754","","","0.71069","MoKα","","0.1009","0.0685","","","0.1611","0.1833","","","","","","1.072","","","","has coordinates","219715","2020-10-21","18:00:00",""
"4514531","10.6178","0.0019","13.052","0.002","13.211","0.003","116.585","0.003","106.062","0.003","95.673","0.003","1519.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H40 F12 N8 O6 P2 Re2 -","- C64 H40 F12 N8 O6 P2 Re2 -","- C64 H40 F12 N8 O6 P2 Re2 -","1","0.5","","Wang, Fang-Xin; Liang, Jin-Hao; Zhang, Hang; Wang, Ze-Hua; Wan, Qin; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Mitochondria-Accumulating Rhenium(I) Tricarbonyl Complexes Induce Cell Death via Irreversible Oxidative Stress and Glutathione Metabolism Disturbance.","ACS applied materials & interfaces","2019","11","14","13123","13133","10.1021/acsami.9b01057","","","0.71073","MoKα","","0.0462","0.0399","","","0.0935","0.0966","","","","","","1.093","","","","has coordinates","219716","2020-10-21","18:00:00",""
"4514532","10.4734","0.0008","11.0967","0.0009","18.1385","0.0014","100.647","0.001","92.198","0.001","99.525","0.001","2038","0.3","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Br2 N2 O Pt Si2 -","- C40 H40 Br2 N2 O Pt Si2 -","- C80 H80 Br4 N4 O2 Pt2 Si4 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0381","0.0322","","","0.0776","0.0805","","","","","","1.036","","","","has coordinates","219717","2020-10-21","18:00:00",""
"4514533","10.0931","0.0003","11.0561","0.0003","17.8751","0.0004","99.897","0.001","94.373","0.002","101.464","0.002","1913.17","0.09","220","2","220","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 Br2 N2 O Pt Si2 -","- C39 H38 Br2 N2 O Pt Si2 -","- C78 H76 Br4 N4 O2 Pt2 Si4 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0456","0.0355","","","0.077","0.0824","","","","","","1.023","","","","has coordinates","219718","2020-10-21","18:00:00",""
"4514534","13.744","0.0004","14.0426","0.0004","19.9366","0.0006","98.91","0.002","91.715","0.002","98.739","0.002","3751.6","0.19","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H65 Br4 Cl3 N4 Pt2 Si4 -","- C73 H64 Br4 Cl3 N4 Pt2 Si4 -","- C146 H128 Br8 Cl6 N8 Pt4 Si8 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.06","0.0396","","","0.0819","0.09","","","","","","1.014","","","","has coordinates,has disorder","219719","2020-10-21","18:00:00",""
"4514535","20.246","0.003","13.133","0.002","15.066","0.003","90","","97.005","0.009","90","","3976","1.2","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 Br2 Cl N2 Pt Si2 -","- C37 H34 Br2 Cl N2 Pt Si2 -","- C148 H136 Br8 Cl4 N8 Pt4 Si8 -","4","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0453","0.0314","","","0.0836","0.0882","","","","","","1.003","","","","has coordinates","219720","2020-10-21","18:00:00",""
"4514536","13.8989","0.0006","31.7505","0.0013","21.7148","0.0012","90","","121.689","0.003","90","","8154","0.7","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Br4 N4 O2 Pt2 Si4 -","- C80 H80 Br4 N4 O2 Pt2 Si4 -","- C320 H320 Br16 N16 O8 Pt8 Si16 -","4","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.1425","0.064","","","0.1255","0.1546","","","","","","1.002","","","","has coordinates,has disorder","219721","2020-10-21","18:00:00",""
"4514537","19.9417","0.0003","13.4799","0.0002","27.817","0.0004","90","","99.017","0.001","90","","7385.14","0.19","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H68 Br4 N4 Pt2 Si4 -","- C75.5 H66.269 Br3.9994 N4 Pt2 Si4 -","- C302 H265.076 Br15.9976 N16 Pt8 Si16 -","4","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0711","0.0487","","","0.1034","0.1139","","","","","","1.021","","","","has coordinates,has disorder","219722","2020-10-21","18:00:00",""
"4514538","7.2194","0.0002","16.1521","0.0004","18.698","0.0005","108.926","0.002","99.381","0.002","94.409","0.002","2015.13","0.1","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H40 Br2 N2 Pt Si2 -","- C43 H40 Br2 N2 Pt Si2 -","- C86 H80 Br4 N4 Pt2 Si4 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0434","0.0353","","","0.0863","0.0905","","","","","","1.028","","","","has coordinates","219723","2020-10-21","18:00:00",""
"4514539","13.8249","0.0018","14.5831","0.0019","20.362","0.003","75.309","0.002","80.795","0.002","67.378","0.002","3656.5","0.9","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H33 Br2 Cl N2 Pt Si2 -","- C36.5 H33 Br2 Cl N2 Pt Si2 -","- C146 H132 Br8 Cl4 N8 Pt4 Si8 -","4","2","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0491","0.0355","","","0.0799","0.0866","","","","","","1.013","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514540","11.9687","0.0014","13.8385","0.0017","12.4508","0.0015","90","","97.881","0.002","90","","2042.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 Mo12 N6 O40 P -","- C9 H15 Mo12 N6 O40 P -","- C18 H30 Mo24 N12 O80 P2 -","2","0.5","","Liu, Wen-Jing; Dong, Long-Zhang; Li, Run-Han; Chen, Yong-Jun; Sun, Sheng-Nan; Li, Shun-Li; Lan, Ya-Qian","Different Protonic Species Affecting Proton Conductivity in Hollow Spherelike Polyoxometalates.","ACS applied materials & interfaces","2019","11","7","7030","7036","10.1021/acsami.8b20509","","","0.71073","MoKα","","0.1005","0.098","","","0.2072","0.2083","","","","","","1.286","","","","has coordinates,has disorder","219725","2020-10-21","18:00:00",""
"4514541","30.83","0.003","8.2576","0.0008","24.308","0.003","90","","108.745","0.002","90","","5860.1","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C264 H264 N24 O60 -","12","3","","Yuan, Ying-Xue; Zheng, Yan-Song","New Acylhydrazone Photoswitches with Quantitative Conversion and High Quantum Yield but without Hydrogen Bond Stabilizing ( Z)-Isomer.","ACS applied materials & interfaces","2019","11","7","7303","7310","10.1021/acsami.8b21719","","","0.71073","MoKα","","0.116","0.0524","","","0.1065","0.128","","","","","","0.943","","","","has coordinates","219726","2020-10-21","18:00:00",""
"4514542","8.1403","0.0012","8.465","0.0012","14.778","0.003","73.936","0.012","80.864","0.013","73.952","0.012","936.7","0.3","128","2","128.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Yuan, Ying-Xue; Zheng, Yan-Song","New Acylhydrazone Photoswitches with Quantitative Conversion and High Quantum Yield but without Hydrogen Bond Stabilizing ( Z)-Isomer.","ACS applied materials & interfaces","2019","11","7","7303","7310","10.1021/acsami.8b21719","","","0.71073","MoKα","","0.0484","0.044","","","0.1238","0.1268","","","","","","1.056","","","","has coordinates","219727","2020-10-21","18:00:00",""
"4514543","16.1766","0.0011","30.685","0.002","38.766","0.003","107.332","0.001","95.731","0.001","100.093","0.001","17846","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 F6 Ir N3 P2 S2 -","- C48 H34 F6 Ir N3 P2 S2 -","- C768 H544 F96 Ir16 N48 P32 S32 -","16","8","","Liang, Xiao; Zhang, Feng; Yan, Zhi-Ping; Wu, Zheng-Guang; Zheng, Youxuan; Cheng, Gang; Wang, Yi; Zuo, Jing-Lin; Pan, Yi; Che, Chi-Ming","Fast Synthesis of Iridium(III) Complexes Incorporating a Bis(diphenylphorothioyl)amide Ligand for Efficient Pure Green OLEDs.","ACS applied materials & interfaces","2019","11","7","7184","7191","10.1021/acsami.8b19318","","","0.71073","MoKα","","0.0935","0.0592","","","0.1538","0.1931","","","","","","1.041","","","","has coordinates","219728","2020-10-21","18:00:00",""
"4514544","26.133","0.004","26.133","0.004","6.639","0.0013","90","","90","","120","","3926.6","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Co O5 -","- C6 H9 Co O5 -","- C108 H162 Co18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0276","0.0268","","","0.0747","0.0752","","","","","","1.054","","","","has coordinates","219729","2020-10-21","18:00:00",""
"4514545","25.839","0.004","25.839","0.004","6.893","0.0014","90","","90","","120","","3985.6","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.6 H Mg O6.2 -","- C5.6 H Mg O6.2 -","- C100.8 H18 Mg18 O111.6 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1166","0.1063","","","0.2581","0.2752","","","","","","1.193","","","","has coordinates","219730","2020-10-21","18:00:00",""
"4514546","25.88","0.004","25.88","0.004","6.695","0.0013","90","","90","","120","","3883.4","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.84 H Ni O6.68 -","- C5.84 H Ni O6.68 -","- C105.12 H18 Ni18 O120.24 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1233","0.1007","","","0.2583","0.2797","","","","","","1.165","","","","has coordinates","219731","2020-10-21","18:00:00",""
"4514547","25.844","0.004","25.844","0.004","6.871","0.0014","90","","90","","120","","3974.4","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.56 H Co O4.56 -","- C5.56 H Co O4.56 -","- C100.08 H18 Co18 O82.08 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0636","0.0604","","","0.1629","0.1676","","","","","","1.051","","","","has coordinates","219732","2020-10-21","18:00:00",""
"4514548","25.897","0.004","25.897","0.004","6.839","0.0014","90","","90","","120","","3972.1","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.67 H Co O6.34 -","- C5.67 H Co O6.34 -","- C102.06 H18 Co18 O114.12 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0466","0.0452","","","0.1386","0.1403","","","","","","1.089","","","","has coordinates","219733","2020-10-21","18:00:00",""
"4514549","26.07","0.004","26.07","0.004","13.521","0.003","90","","90","","120","","7958","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Co2 O12.33 -","- C14 H20 Co2 O12.1666 -","- C252 H360 Co36 O218.999 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0634","0.0581","","","0.1566","0.1637","","","","","","1.108","","","","has coordinates,has disorder","219734","2020-10-21","18:00:00",""
"4514550","25.871","0.004","25.871","0.004","13.5","0.003","90","","90","","120","","7825","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Ni2 O12.17 -","- C14 H20 Ni2 O12.1667 -","- C252 H360 Ni36 O219 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1094","0.0973","","","0.2932","0.3197","","","","","","1.247","","","","has coordinates","219735","2020-10-21","18:00:00",""
"4514551","25.899","0.004","25.899","0.004","6.635","0.0013","90","","90","","120","","3854.2","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Ni O5 -","- C6 H9 Ni O5 -","- C108 H162 Ni18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0586","0.0564","","","0.1775","0.1812","","","","","","1.13","","","","has coordinates","219736","2020-10-21","18:00:00",""
"4514552","26.023","0.004","26.023","0.004","6.6525","0.0013","90","","90","","120","","3901.5","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Mg O5 -","- C6 H9 Mg O5 -","- C108 H162 Mg18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0617","0.0598","","","0.1639","0.1654","","","","","","1.103","","","","has coordinates","219737","2020-10-21","18:00:00",""
"4514553","25.822","0.004","25.822","0.004","6.935","0.0014","90","","90","","120","","4004.6","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.56 H Mg O4.56 -","- C5.562 H Mg O4.562 -","- C100.116 H18 Mg18 O82.116 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0499","0.0482","","","0.1431","0.1472","","","","","","0.838","","","","has coordinates","219738","2020-10-21","18:00:00",""
"4514554","25.951","0.004","25.951","0.004","13.632","0.003","90","","90","","120","","7951","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Mg2 O12.33 -","- C14 H20 Mg2 O12.1666 -","- C252 H360 Mg36 O218.999 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.091","0.0838","","","0.2288","0.2386","","","","","","1.038","","","","has coordinates,has disorder","219739","2020-10-21","18:00:00",""
"4514555","26.15","0.004","26.15","0.004","6.721","0.0013","90","","90","","120","","3980.2","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.98 H Ni O4.98 -","- C5.98 H Ni O4.98 -","- C107.64 H18 Ni18 O89.64 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0701","0.0656","","","0.1969","0.2081","","","","","","1.078","","","","has coordinates","219740","2020-10-21","18:00:00",""
"4514556","16.661","0.003","13.734","0.002","16.996","0.003","90","","90.046","0.005","90","","3889.1","1.1","150","2","150","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C35 H35 Br F6 N4 O4 P Re -","- C35 H35 Br F6 N4 O4 P Re -","- C140 H140 Br4 F24 N16 O16 P4 Re4 -","4","1","","Liu, Chuangjun; Zhou, Lihua; Wei, Fangfang; Li, Ling; Zhao, Shunan; Gong, Ping; Cai, Lintao; Wong, Keith Man-Chung","Versatile Strategy To Generate a Rhodamine Triplet State as Mitochondria-Targeting Visible-Light Photosensitizers for Efficient Photodynamic Therapy.","ACS applied materials & interfaces","2019","11","9","8797","8806","10.1021/acsami.8b20224","","","0.71073","MoKα","","0.1665","0.1221","","","0.2666","0.2911","","","","","","1.133","","","","has coordinates,has disorder","219741","2020-10-21","18:00:00",""
"4514557","11.3756","0.0001","10.2107","0.0002","20.8874","0.0003","90","","91.868","0.001","90","","2424.84","0.06","100.2","0.7","100.2","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 N3 -","- C35 H25 N3 -","- C140 H100 N12 -","4","1","","Hu, Shimin; Zeng, Jiajie; Zhu, Xiangyu; Guo, Jingjing; Chen, Shuming; Zhao, Zujin; Tang, Ben Zhong","Universal Bipolar Host Materials for Blue, Green, and Red Phosphorescent OLEDs with Excellent Efficiencies and Small-Efficiency Roll-Off.","ACS applied materials & interfaces","2019","11","30","27134","27144","10.1021/acsami.9b06995","","x-ray","1.54184","CuKα","","0.0386","0.0358","","","0.089","0.091","","","","","","1.036","","","","has coordinates","219742","2020-10-21","18:00:00",""
"4514558","10.5987","0.0002","19.9171","0.0004","12.7408","0.0003","90","","102.209","0.002","90","","2628.69","0.1","100","0.6","100","0.6","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C37 H29 N3 -","- C37 H29 N3 -","- C148 H116 N12 -","4","0.5","","Hu, Shimin; Zeng, Jiajie; Zhu, Xiangyu; Guo, Jingjing; Chen, Shuming; Zhao, Zujin; Tang, Ben Zhong","Universal Bipolar Host Materials for Blue, Green, and Red Phosphorescent OLEDs with Excellent Efficiencies and Small-Efficiency Roll-Off.","ACS applied materials & interfaces","2019","11","30","27134","27144","10.1021/acsami.9b06995","","x-ray","1.54184","CuKα","","0.0545","0.0522","","","0.1375","0.1397","","","","","","1.039","","","","has coordinates","219743","2020-10-21","18:00:00",""
"4514559","36.7326","0.0016","7.4035","0.0003","12.5047","0.0006","90","","90","","90","","3400.7","0.3","120","","120","","","","","","","","","5","C m c 21","C 2c -2","36","","3,6-Bis(9,9-dimethyl-acridin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C45 H40 N2 O2 S -","- C45 H40 N2 O2 S -","- C180 H160 N8 O8 S4 -","4","0.5","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0593","0.051","","","0.1253","0.1308","","","","","","1.02","","","","has coordinates","219744","2020-10-21","18:00:00",""
"4514560","39.982","0.003","12.854","0.0011","16.9651","0.0014","90","","99.835","0.003","90","","8590.7","1.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2,7-bis(9,9-dimethyl-acridin-10-yl)-3,6,9,9-tetramethylthioxanthene-S,S-dioxide","","- C48.75 H44 Cl3.5 D3.5 N2 O2 S -","- C48 H44 Cl2 D2 N2 O2 S -","- C384 H352 Cl16 D16 N16 O16 S8 -","8","1","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0776","0.0581","","","0.1374","0.1485","","","","","","1.046","","","","has coordinates,has disorder","219745","2020-10-21","18:00:00",""
"4514561","18.272","0.001","12.9436","0.0008","17.0277","0.0007","90","","100.118","0.003","90","","3964.5","0.4","120","","120","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","2,7-bis(9,9-dimethyl-acridin-10-yl)-3,6,9,9-tetramethylthioxanthene-S,S-dioxide","","- C47.75 H45.5 Cl1.5 N2 O2 S -","- C47 H44 N2 O2 S -","- C188 H176 N8 O8 S4 -","4","1","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","1.54184","CuKα","","0.1051","0.0754","","","0.1793","0.1963","","","","","","1.048","","","","has coordinates","219746","2020-10-21","18:00:00",""
"4514562","10.6162","0.0008","12.9637","0.0009","18.945","0.0013","81.349","0.002","77.499","0.003","70.604","0.002","2392.3","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,7-Bis(2,7,9,9-tetramethyl-acridin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C59.5 H60 N2 O2 S -","- C59.5 H60 N2 O2 S -","- C119 H120 N4 O4 S2 -","2","1","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0702","0.0461","","","0.1044","0.115","","","","","","1.022","","","","has coordinates,has disorder","219747","2020-10-21","18:00:00",""
"4514563","7.849","0.007","26.26","0.019","10.736","0.008","90","","111.101","0.006","90","","2064","3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H29 Cl6 N2 O3 P -","- C44 H29 Cl6 N2 O3 P -","- C88 H58 Cl12 N4 O6 P2 -","2","0.5","","Zhong, Daokun; Yu, Yue; Song, Dongdong; Yang, Xiaolong; Zhang, Yindi; Chen, Xi; Zhou, Guijiang; Wu, Zhaoxin","Organic Emitters with a Rigid 9-Phenyl-9-phosphafluorene Oxide Moiety as the Acceptor and Their Thermally Activated Delayed Fluorescence Behavior.","ACS applied materials & interfaces","2019","11","30","27112","27124","10.1021/acsami.9b05950","","","0.71073","MoKα","","0.115","0.0929","","","0.2645","0.2867","","","","","","1.045","","","","has coordinates","219748","2020-10-21","18:00:00",""
"4514564","18.7736","0.0014","3.963","0.0003","16.317","0.001","90","","90","","90","","1213.98","0.15","120","2","120","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Procházková, Eliška; Cao, Cheng; Rawal, Aditya; Dračínský, Martin; Bhattacharyya, Saroj; Císařová, Ivana; Hook, James M.; Stenzel, Martina H.","Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy.","ACS applied materials & interfaces","2019","11","31","28278","28288","10.1021/acsami.9b05514","","","1.54178","CuKα","","0.0632","0.0583","","","0.1383","0.1407","","","","","","1.138","","","","has coordinates","219749","2020-10-21","18:00:00",""
"4514565","20.8861","0.0013","20.5655","0.0013","20.678","0.0014","90","","113.811","0.001","90","","8125.9","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl3 Cu18 N36 O42 P W12 -","- C24 H24 Cl3 Cu18 N36 O42 P W12 -","- C96 H96 Cl12 Cu72 N144 O168 P4 W48 -","4","0.5","","Li, Xiao; Yang, Xi-Ya; Sha, Jing-Quan; Han, Tao; Du, Chun-Jiang; Sun, Yuan-Jie; Lan, Ya-Qian","POMOF/SWNT Nanocomposites with Prominent Peroxidase-Mimicking Activity for l-Cysteine ""On-Off Switch"" Colorimetric Biosensing.","ACS applied materials & interfaces","2019","11","18","16896","16904","10.1021/acsami.9b00872","","","0.71073","MoKα","","0.1057","0.0609","","","0.1504","0.1768","","","","","","1.009","","","","has coordinates","219750","2020-10-21","18:00:00",""
"4514566","11.516","0.003","12.049","0.003","14.257","0.004","94.053","0.004","105.889","0.004","106.155","0.004","1804.3","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H16 Cl2 Cu6 N24 O44 P W12 -","- C16 H16 Cl2 Cu6 N24 O44 P W12 -","- C16 H16 Cl2 Cu6 N24 O44 P W12 -","1","0.5","","Li, Xiao; Yang, Xi-Ya; Sha, Jing-Quan; Han, Tao; Du, Chun-Jiang; Sun, Yuan-Jie; Lan, Ya-Qian","POMOF/SWNT Nanocomposites with Prominent Peroxidase-Mimicking Activity for l-Cysteine ""On-Off Switch"" Colorimetric Biosensing.","ACS applied materials & interfaces","2019","11","18","16896","16904","10.1021/acsami.9b00872","","","0.71073","MoKα","","0.0886","0.075","","","0.1892","0.2007","","","","","","1.054","","","","has coordinates","219751","2020-10-21","18:00:00",""
"4514567","36.5584","0.0003","36.5584","0.0003","36.5584","0.0003","90","","90","","90","","48860.9","0.7","292.98","0.1","292.98","0.1","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C11 H7 In0.5 N0.5 O2.67 -","- C11 H6 In0.5 N0.5 O2.66667 -","- C528 H288 In24 N24 O128 -","48","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing","Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel.","ACS applied materials & interfaces","2019","11","18","16490","16495","10.1021/acsami.8b22327","","x-ray","1.54184","CuKα","","0.064","0.0458","","","0.1276","0.1399","","","","","","0.969","","","","has coordinates","219752","2020-10-21","18:00:00",""
"4514568","36.2108","0.0003","36.2108","0.0003","36.2108","0.0003","90","","90","","90","","47480.4","0.7","99.96","0.12","99.96","0.12","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C11 H6 In0.5 N0.5 O2.67 -","- C11 H6 In0.5 N0.5 O2.66667 -","- C528 H288 In24 N24 O128 -","48","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing","Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel.","ACS applied materials & interfaces","2019","11","18","16490","16495","10.1021/acsami.8b22327","","","1.54184","CuKα","","0.1239","0.0963","","","0.2531","0.2932","","","","","","1.014","","","","has coordinates","219753","2020-10-21","18:00:00",""
"4514569","12.3627","0.0005","16.5069","0.0006","19.3243","0.0007","78.505","0.002","80.157","0.002","71.752","0.002","3645","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C85 H84 N6 -","- C85 H84 N6 -","- C170 H168 N12 -","2","1","","Jayakumar, Jayachandran; Wu, Tien-Lin; Huang, Min-Jie; Huang, Pei-Yun; Chou, Tsu-Yu; Lin, Hao-Wu; Cheng, Chien-Hong","Pyridine-Carbonitrile-Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance.","ACS applied materials & interfaces","2019","11","23","21042","21048","10.1021/acsami.9b04664","","","0.71073","MoKα","","0.0853","0.0555","","","0.1519","0.1726","","","","","","1.052","","","","has coordinates,has disorder","219754","2020-10-21","18:00:00",""
"4514570","13.0254","0.0007","13.0272","0.0008","16.4926","0.001","91.223","0.003","102.951","0.002","106.442","0.003","2605","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H61 N5 -","- C65 H61 N5 -","- C130 H122 N10 -","2","1","","Jayakumar, Jayachandran; Wu, Tien-Lin; Huang, Min-Jie; Huang, Pei-Yun; Chou, Tsu-Yu; Lin, Hao-Wu; Cheng, Chien-Hong","Pyridine-Carbonitrile-Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance.","ACS applied materials & interfaces","2019","11","23","21042","21048","10.1021/acsami.9b04664","","","0.71073","MoKα","","0.0624","0.0492","","","0.1165","0.1239","","","","","","1.034","","","","has coordinates","219755","2020-10-21","18:00:00",""
"4514571","14.471","0.008","14.471","0.007","6.448","0.006","90","","90","","90","","1350.3","1.6","293","2","293","2","","","","","","","","2","P 4/m","-P 4","83","","","","- I3.62 Pb1.12 -","- I3.62 Pb1.12 -","- I14.48 Pb4.48 -","4","0.5","","Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine","Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration.","ACS applied materials & interfaces","2019","11","23","20743","20751","10.1021/acsami.9b00210","","","0.71073","MoKα","","0.1055","0.0477","","","0.1301","0.1641","","","","","","1.014","","","","has coordinates","219756","2020-10-21","18:00:00",""
"4514572","7.4572","0.0007","9.0772","0.001","9.3799","0.0012","90","","102.675","0.012","90","","619.46","0.12","150.1","0.5","150","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 I N S -","- C2 H8 I N S -","- C8 H32 I4 N4 S4 -","4","1","","Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine","Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration.","ACS applied materials & interfaces","2019","11","23","20743","20751","10.1021/acsami.9b00210","","","1.54184","CuKα","","0.0781","0.0769","","","0.2163","0.2184","","","","","","1.087","","","","has coordinates","219756","2020-10-21","18:00:00",""
"4514573","14.7847","0.0004","15.6515","0.0003","18.4365","0.0005","99.028","0.002","113.269","0.002","92.474","0.002","3844.6","0.18","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","","1.54178","CuKα","","0.0553","0.0518","","","0.1529","0.1566","","","","","","1.033","","","","has coordinates","219757","2020-10-21","18:00:00",""
"4514574","15.1008","0.0004","15.1284","0.0003","18.1489","0.0004","76.71","0.002","67.069","0.002","89.629","0.002","3700.22","0.16","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","","1.54178","CuKα","","0.0974","0.0925","","","0.2612","0.264","","","","","","1.119","","","","has coordinates","219758","2020-10-21","18:00:00",""
"4514575","15.0446","0.0006","15.3208","0.0006","18.3342","0.0006","77.504","0.003","66.142","0.004","88.035","0.003","3766.6","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","x-ray","1.54184","CuKα","","0.0568","0.0524","","","0.1513","0.1557","","","","","","1.111","","","","has coordinates","219759","2020-10-21","18:00:00",""
"4514576","18.4591","0.0002","20.0087","0.0003","21.7899","0.0003","82.812","0.001","82.598","0.001","68.339","0.001","7390.98","0.18","298","0.1","298","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H80 Cd4 N32 O16 -","- C128 H80 Cd4 N32 O16 -","- C256 H160 Cd8 N64 O32 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","x-ray","1.54184","CuKα","","0.0586","0.049","","","0.1446","0.1512","","","","","","1.058","","","","has coordinates","219760","2020-10-21","18:00:00",""
"4514577","15.4922","0.0002","17.7766","0.0002","29.2303","0.0004","76.613","0.001","78.781","0.001","74.378","0.001","7466.49","0.17","298.3","0.2","298.3","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H81 Cd4 N32 O16 -","- C128 H81 Cd4 N32 O16 -","- C256 H162 Cd8 N64 O32 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","","1.54184","CuKα","","0.0641","0.056","","","0.169","0.1759","","","","","","1.072","","","","has coordinates","219761","2020-10-21","18:00:00",""
"4514578","14.8086","0.0004","15.9794","0.0005","18.2659","0.0003","101.054","0.002","111.35","0.002","90.981","0.002","3933.09","0.19","298.33","0.1","298.33","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","x-ray","0.71","MoKα","","0.0675","0.0616","","","0.1884","0.1947","","","","","","1.034","","","","has coordinates","219762","2020-10-21","18:00:00",""
"4514579","20.091","0.005","19.41","0.005","13.624","0.004","90","","90.1","","90","","5313","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu2 N2 O12 -","- C26 H22 Cu2 N2 O12 -","- C208 H176 Cu16 N16 O96 -","8","2","","Zhou, Bihang; Zheng, Jia-Jia; Duan, Jingui; Hou, Chunchao; Wang, Yang; Jin, Wanqin; Xu, Qiang","Chemically Robust, Cu-based Porous Coordination Polymer Nanosheets for Efficient Hydrogen Evolution: Experimental and Theoretical Studies.","ACS applied materials & interfaces","2019","11","23","21086","21093","10.1021/acsami.9b04471","","","0.71073","MoKα","","0.1595","0.0768","","","0.1834","0.2032","","","","","","1.034","","","","has coordinates","219763","2020-10-21","18:00:00",""
"4514580","12.157","0.005","12.157","0.005","10.457","0.005","90","","90","","120","","1338.4","1","293","2","293","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H17 Ag5 Mo12 N18 O40 Si -","- C12 H12 Ag4.92 Mo12 N18 O40 Si -","- C12 H12 Ag4.92 Mo12 N18 O40 Si -","1","0.0833333","","Hou, Yan; Chai, Dongfeng; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","Polyoxometalate-Incorporated Metallacalixarene@Graphene Composite Electrodes for High-Performance Supercapacitors.","ACS applied materials & interfaces","2019","11","23","20845","20853","10.1021/acsami.9b04649","","","0.71069","MoKα","","0.0887","0.0789","","","0.1763","0.1826","","","","","","1.04","","","","has coordinates","219764","2020-10-21","18:00:00",""
"4514581","12.1796","0.0007","12.1796","0.0007","10.4736","0.0008","90","","90","","120","","1345.53","0.15","293","2","293","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H17 Ag5 N18 O40 Si W12 -","- C12 H12 Ag4.92 N18 O40 Si W12 -","- C12 H12 Ag4.92 N18 O40 Si W12 -","1","0.0833333","","Hou, Yan; Chai, Dongfeng; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","Polyoxometalate-Incorporated Metallacalixarene@Graphene Composite Electrodes for High-Performance Supercapacitors.","ACS applied materials & interfaces","2019","11","23","20845","20853","10.1021/acsami.9b04649","","","0.71","MoKα","","0.0489","0.0374","","","0.0906","0.0977","","","","","","1.06","","","","has coordinates","219765","2020-10-21","18:00:00",""
"4514582","6.3468","0.0004","12.4679","0.0008","13.0046","0.0009","70.524","0.003","85.858","0.003","82.85","0.003","962.12","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","N1,N4-(diterephthalic acid)terephthalamide","","- C36 H44 N6 O14 -","- C36 H44 N6 O14 -","- C36 H44 N6 O14 -","1","0.5","","Dietrich, Dennis; Licht, Christopher; Nuhnen, Alexander; Höfert, Simon-Patrick; De Laporte, Laura; Janiak, Christoph","Metal-Organic Gels Based on a Bisamide Tetracarboxyl Ligand for Carbon Dioxide, Sulfur Dioxide, and Selective Dye Uptake.","ACS applied materials & interfaces","2019","11","21","19654","19667","10.1021/acsami.9b04659","","","0.71073","MoKα","","0.0393","0.0364","","","0.0976","0.1004","","","","","","1.03","","","","has coordinates,has disorder","219766","2020-10-21","18:00:00",""
"4514583","9.8403","0.0004","21.3017","0.0009","24.2115","0.0012","90","","90","","90","","5075.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N O2 S -","- C32 H27 N O2 S -","- C256 H216 N8 O16 S8 -","8","1","","Wu, Tien-Lin; Liao, Ssu-Yu; Huang, Pei-Yun; Hong, Zih-Siang; Huang, Man-Ping; Lin, Chih-Chun; Cheng, Mu-Jeng; Cheng, Chien-Hong","Exciplex Organic Light-Emitting Diodes with Nearly 20% External Quantum Efficiency: Effect of Intermolecular Steric Hindrance between the Donor and Acceptor Pair.","ACS applied materials & interfaces","2019","11","21","19294","19300","10.1021/acsami.9b04365","","","0.71073","MoKα","","0.0458","0.0357","","","0.085","0.0913","","","","","","1.029","","","","has coordinates","219767","2020-10-21","18:00:00",""
"4514584","25.1361","0.0006","4.6632","0.0002","23.7066","0.0007","90","","114.459","0.002","90","","2529.39","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br6 N2 O4 Pb3 -","- C16 H16 Br6 N2 O4 Pb3 -","- C64 H64 Br24 N8 O16 Pb12 -","4","0.5","","Sun, Cai; Wang, Ming-Sheng; Guo, Guo-Cong","Covalently Bonded Pillared Layered Bromoplumbate with High Thermal Stability: High Capacitance Gain after Photoinduced Electron Transfer.","ACS applied materials & interfaces","2019","11","34","30713","30718","10.1021/acsami.9b06375","","","0.71073","MoKα","","0.0347","0.0309","","","0.0718","0.0734","","","","","","1.18","","","","has coordinates","219768","2020-10-21","18:00:00",""
"4514585","25.1351","0.0012","4.6642","0.0002","23.7112","0.0012","90","","114.438","0.004","90","","2530.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br6 N2 O4 Pb3 -","- C16 H16 Br6 N2 O4 Pb3 -","- C64 H64 Br24 N8 O16 Pb12 -","4","0.5","","Sun, Cai; Wang, Ming-Sheng; Guo, Guo-Cong","Covalently Bonded Pillared Layered Bromoplumbate with High Thermal Stability: High Capacitance Gain after Photoinduced Electron Transfer.","ACS applied materials & interfaces","2019","11","34","30713","30718","10.1021/acsami.9b06375","","","0.71073","MoKα","","0.035","0.0309","","","0.0717","0.0734","","","","","","1.167","","","","has coordinates","219769","2020-10-21","18:00:00",""
"4514586","5.7381","0.0005","27.1129","0.0016","7.7795","0.0006","90","","100.679","0.008","90","","1189.35","0.16","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Fe O3 -","- C14 H14 Fe O3 -","- C56 H56 Fe4 O12 -","4","1","","Qin, Yin; Gao, Tian-Li; Xie, Wen-Ping; Li, Zifeng; Li, Gang","Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate Frameworks.","ACS applied materials & interfaces","2019","11","34","31018","31027","10.1021/acsami.9b11056","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","219770","2020-10-21","18:00:00",""
"4514587","5.809","0.0002","12.8698","0.0005","12.5766","0.0004","90","","97.114","0.003","90","","933","0.06","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Fe O2 -","- C11 H10 Fe O2 -","- C44 H40 Fe4 O8 -","4","1","","Qin, Yin; Gao, Tian-Li; Xie, Wen-Ping; Li, Zifeng; Li, Gang","Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate Frameworks.","ACS applied materials & interfaces","2019","11","34","31018","31027","10.1021/acsami.9b11056","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","219771","2020-10-21","18:00:00",""
"4514588","18.541","0.004","10.475","0.002","19.288","0.004","90","","91.25","0.003","90","","3745.2","1.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd N2 O4 -","- C20 H16 Cd N2 O4 -","- C160 H128 Cd8 N16 O32 -","8","1","","Shi, Jinbiao; Zhang, Jianling; Liang, Tongling; Tan, Dongxing; Tan, Xiuniang; Wan, Qiang; Cheng, Xiuyan; Zhang, Bingxing; Han, Buxing; Liu, Lifei; Zhang, Fanyu; Chen, Gang","Bipyridyl-Containing Cadmium-Organic Frameworks for Efficient Photocatalytic Oxidation of Benzylamine.","ACS applied materials & interfaces","2019","11","34","30953","30958","10.1021/acsami.9b09879","","","0.71073","MoKα","","0.051","0.0492","","","0.1187","0.1199","","","","","","1.111","","","","has coordinates","219772","2020-10-21","18:00:00",""
"4514589","15.7287","0.0012","21.6518","0.0012","7.5242","0.0004","90","","116.784","0.006","90","","2287.5","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd N2 O4 -","- C18 H12 Cd N2 O4 -","- C72 H48 Cd4 N8 O16 -","4","0.5","","Shi, Jinbiao; Zhang, Jianling; Liang, Tongling; Tan, Dongxing; Tan, Xiuniang; Wan, Qiang; Cheng, Xiuyan; Zhang, Bingxing; Han, Buxing; Liu, Lifei; Zhang, Fanyu; Chen, Gang","Bipyridyl-Containing Cadmium-Organic Frameworks for Efficient Photocatalytic Oxidation of Benzylamine.","ACS applied materials & interfaces","2019","11","34","30953","30958","10.1021/acsami.9b09879","","","0.71073","MoKα","","0.0478","0.0459","","","0.1268","0.1281","","","","","","1.129","","","","has coordinates","219773","2020-10-21","18:00:00",""
"4514590","9.554","0.0001","26.8344","0.0003","32.851","0.0003","90","","90","","90","","8422.2","0.15","282","3","282","3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H37 N3 -","- C59 H37 N3 -","- C472 H296 N24 -","8","2","","Xu, Yuwei; Liang, Xiaoming; Liang, Yiqian; Guo, Xiaomin; Hanif, Muddasir; Zhou, Jiadong; Zhou, Xuehong; Wang, Cong; Yao, Jingwen; Zhao, Ruiyang; Hu, Dehua; Qiao, Xianfeng; Ma, Dongge; Ma, Yuguang","Efficient Deep-Blue Fluorescent OLEDs with a High Exciton Utilization Efficiency from a Fully Twisted Phenanthroimidazole-Anthracene Emitter.","ACS applied materials & interfaces","2019","11","34","31139","31146","10.1021/acsami.9b10823","","x-ray","1.54184","CuKα","","0.036","0.0335","","","0.0859","0.0875","","","","","","1.037","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514591","8.9146","0.0003","13.5124","0.0004","35.9562","0.0008","100.017","0.002","91.151","0.002","103.317","0.003","4142.3","0.2","299.8","0.6","299.8","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C59 H37 N3 -","- C59 H37 N3 -","- C236 H148 N12 -","4","2","","Xu, Yuwei; Liang, Xiaoming; Liang, Yiqian; Guo, Xiaomin; Hanif, Muddasir; Zhou, Jiadong; Zhou, Xuehong; Wang, Cong; Yao, Jingwen; Zhao, Ruiyang; Hu, Dehua; Qiao, Xianfeng; Ma, Dongge; Ma, Yuguang","Efficient Deep-Blue Fluorescent OLEDs with a High Exciton Utilization Efficiency from a Fully Twisted Phenanthroimidazole-Anthracene Emitter.","ACS applied materials & interfaces","2019","11","34","31139","31146","10.1021/acsami.9b10823","","x-ray","1.54184","CuKα","","0.1131","0.0464","","","0.0979","0.1233","","","","","","0.907","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514592","15.1298","0.0009","17.3309","0.0011","18.2494","0.0011","97.755","0.003","110.714","0.002","100.074","0.002","4305.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H50 B N3 O2 -","- C57 H50 B N3 O2 -","- C228 H200 B4 N12 O8 -","4","2","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.078","0.0477","","","0.1025","0.118","","","","","","1.02","","","","has coordinates","219776","2020-10-21","18:00:00",""
"4514593","16.332","0.0011","20.538","0.0015","16.6758","0.0012","90","","113.255","0.003","90","","5139.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 B N3 -","- C65 H66 B N3 -","- C260 H264 B4 N12 -","4","1","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.0846","0.0517","","","0.1101","0.1264","","","","","","1.021","","","","has coordinates","219777","2020-10-21","18:00:00",""
"4514594","42.226","0.007","10.2992","0.0018","21.399","0.004","90","","104.757","0.005","90","","8999","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 B N3 -","- C57 H50 B N3 -","- C456 H400 B8 N24 -","8","1","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.1486","0.0611","","","0.1417","0.194","","","","","","1.016","","","","has coordinates,has disorder","219778","2020-10-21","18:00:00",""
"4514595","13.08","0.007","13.557","0.007","17.885","0.009","69.176","0.01","89.731","0.01","63.458","0.01","2606","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H62 B N3 -","- C63 H62 B N3 -","- C126 H124 B2 N6 -","2","1","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.1596","0.083","","","0.206","0.2561","","","","","","1.001","","","","has coordinates","219779","2020-10-21","18:00:00",""
"4514596","16.5673","0.0002","15.2797","0.0002","21.0925","0.0003","90","","90","","90","","5339.43","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Gd N4 O8 -","- C27 H25 Gd N4 O8 -","- C216 H200 Gd8 N32 O64 -","8","1","","Zaręba, Jan K; Nyk, Marcin; Janczak, Jan; Samoć, Marek","Three-Photon Absorption of Coordination Polymer Transforms UV-to-VIS Thermometry into NIR-to-VIS Thermometry.","ACS applied materials & interfaces","2019","11","11","10435","10441","10.1021/acsami.8b21937","","","0.71073","MoKα","","0.0549","0.0295","","","0.0617","0.0734","","","","","","1.002","","","","has coordinates","219780","2020-10-21","18:00:00",""
"4514597","20.075","0.008","7.074","0.003","25.586","0.01","90","","105.098","0.005","90","","3508","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N2 O2.5 -","- C22 H18 Cl N2 O2.5 -","- C176 H144 Cl8 N16 O20 -","8","2","","Isoda, Kyosuke; Ishiyama, Tatsuya; Mutoh, Yuichiro; Matsukuma, Daisuke","Stimuli-Responsive Room-Temperature N-Heteroacene Liquid: In Situ Observation of the Self-Assembling Process and Its Multiple Properties.","ACS applied materials & interfaces","2019","11","12","12053","12062","10.1021/acsami.8b21695","","","0.71073","MoKα","","0.1401","0.0788","","","0.1795","0.2121","","","","","","1.042","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514598","13.036","0.002","7.996","0.0015","16.38","0.003","90","","110.428","0.002","90","","1600","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Isoda, Kyosuke; Ishiyama, Tatsuya; Mutoh, Yuichiro; Matsukuma, Daisuke","Stimuli-Responsive Room-Temperature N-Heteroacene Liquid: In Situ Observation of the Self-Assembling Process and Its Multiple Properties.","ACS applied materials & interfaces","2019","11","12","12053","12062","10.1021/acsami.8b21695","","","0.71073","MoKα","","0.0728","0.0465","","","0.1097","0.1235","","","","","","1.032","","","","has coordinates","219782","2020-10-21","18:00:00",""
"4514599","25.0266","0.0005","28.3182","0.0007","30.3737","0.0006","90","","90","","90","","21526.1","0.8","150","1","150","1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 O24 Zn4 -","- C42 H22 O24 Zn4 -","- C336 H176 O192 Zn32 -","8","0.25","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Bučar, Dejan-Krešimir; Kenyon, Anthony J.; Scanlon, David O.; Parkin, Ivan P.","Sensing and Discrimination of Explosives at Variable Concentrations with a Large-Pore MOF as Part of a Luminescent Array.","ACS applied materials & interfaces","2019","11","12","11618","11626","10.1021/acsami.8b22385","","x-ray","1.54184","CuKα","","0.0534","0.0465","","","0.1479","0.1623","","","","","","1.0189","","","","has coordinates","219783","2020-10-21","18:00:00",""
"4514600","17.1992","0.0012","5.8322","0.0004","5.6685","0.0004","90","","98.946","0.001","90","","561.69","0.07","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C3 H3 Au F3 N -","- C3 H3 Au F3 N -","- C12 H12 Au4 F12 N4 -","4","0.5","","Carden, Will G.; Thorman, Rachel M.; Unlu, Ilyas; Abboud, Khalil A.; Fairbrother, D. Howard; McElwee-White, Lisa","Design, Synthesis, and Evaluation of CF<sub>3</sub>AuCNR Precursors for Focused Electron Beam-Induced Deposition of Gold.","ACS applied materials & interfaces","2019","11","12","11976","11987","10.1021/acsami.8b18368","","","0.71073","MoKα","","0.0108","0.0105","","","0.0265","0.0265","","","","","","1.256","","","","has coordinates,has disorder","219785","2020-10-21","18:00:00",""
"4514601","6.8264","0.0003","7.7774","0.0004","19.185","0.0009","87.622","0.002","80.008","0.002","68.976","0.002","936.1","0.08","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 F12 N4 P2 -","- C38 H32 F12 N4 P2 -","- C38 H32 F12 N4 P2 -","1","0.5","","Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan","Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.","ACS applied materials & interfaces","2019","11","12","11227","11237","10.1021/acsami.9b01655","","","1.54178","CuKα","","0.0885","0.086","","","0.2323","0.2343","","","","","","1.058","","","","has coordinates","219786","2020-10-21","18:00:00",""
"4514602","6.504","0.0005","7.4221","0.0007","19.2502","0.0017","86.056","0.002","80.656","0.002","73.71","0.001","879.86","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 F12 N4 P2 -","- C36 H28 F12 N4 P2 -","- C36 H28 F12 N4 P2 -","1","0.5","","Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan","Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.","ACS applied materials & interfaces","2019","11","12","11227","11237","10.1021/acsami.9b01655","","","0.71073","MoKα","","0.133","0.0723","","","0.2112","0.2334","","","","","","1.1","","","","has coordinates,has disorder","219787","2020-10-21","18:00:00",""
"4514603","8.205","0.0008","9.0601","0.0009","15.7179","0.0013","81.308","0.001","87.4","0.002","85.06","0.002","1150.11","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 F18 N6 P2 -","- C42 H32 F18 N6 P2 -","- C42 H32 F18 N6 P2 -","1","0.5","","Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan","Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.","ACS applied materials & interfaces","2019","11","12","11227","11237","10.1021/acsami.9b01655","","","0.71073","MoKα","","0.1895","0.0828","","","0.169","0.1894","","","","","","1.087","","","","has coordinates,has disorder","219788","2020-10-21","18:00:00",""
"4514604","7.2183","0.0005","43.778","0.003","10.9651","0.0008","90","","93.594","0.003","90","","3458.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C32 H16 In O5 -","- C32 H16 In O5 -","- C128 H64 In4 O20 -","4","0.5","","Wei, Hongxia; Guo, Zhifen; Liang, Xiao; Chen, Peiqi; Liu, Hui; Xing, Hongzhu","Selective Photooxidation of Amines and Sulfides Triggered by a Superoxide Radical Using a Novel Visible-Light-Responsive Metal-Organic Framework.","ACS applied materials & interfaces","2019","11","3","3016","3023","10.1021/acsami.8b18206","","","0.71073","MoKα","","0.035","0.0283","","","0.0685","0.0715","","","","","","1.092","","","","has coordinates","219789","2020-10-21","18:00:00",""
"4514605","54.69","0.03","5.385","0.003","17.156","0.009","90","","102.882","0.007","90","","4925","5","120","2","120.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 F3 N4 O3 -","- C27 H27 F3 N4 O3 -","- C216 H216 F24 N32 O24 -","8","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1108","0.0525","","","0.1047","0.1341","","","","","","1","","","","has coordinates,has disorder","219790","2020-10-21","18:00:00",""
"4514606","6.96","0.004","10.566","0.007","14.887","0.009","82.157","0.01","78.009","0.008","88.874","0.008","1060.8","1.1","120","2","120.01","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F3 N2 O2 -","- C25 H21 F3 N2 O2 -","- C50 H42 F6 N4 O4 -","2","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1097","0.0514","","","0.1327","0.1939","","","","","","0.946","","","","has coordinates,has disorder","219791","2020-10-21","18:00:00",""
"4514607","26.469","0.004","6.0807","0.0008","28.774","0.003","90","","90.77","0.009","90","","4630.8","1","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C96 H100 F12 N8 O17 -","- C96 H100 F12 N8 O17 -","- C192 H200 F24 N16 O34 -","2","0.5","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1143","0.0798","","","0.1964","0.2252","","","","","","1.058","","","","has coordinates,has disorder","219792","2020-10-21","18:00:00",""
"4514608","14.751","0.015","33.72","0.03","8.39","0.008","90","","90","","90","","4173","7","296","2","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H21 F3 N2 O2 -","- C22 H21 F3 N2 O2 -","- C176 H168 F24 N16 O16 -","8","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.1173","0.0626","","","0.1177","0.1458","","","","","","1.065","","","","has coordinates,has disorder","219793","2020-10-21","18:00:00",""
"4514609","6.55","0.012","8.043","0.015","16.75","0.03","86.878","0.018","89.257","0.018","87.524","0.018","880","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 F3 N2 O4 -","- C17 H19 F3 N2 O4 -","- C34 H38 F6 N4 O8 -","2","1","","Parveen, Rumana; Jayamma, Bandi; Dastidar, Parthasarathi","Supramolecular Gels Derived from Simple Organic Salts of Flufenamic Acid: Design, Synthesis, Structures, and Plausible Biomedical Application","ACS Biomaterials Science & Engineering","2019","5","5","2180","","10.1021/acsbiomaterials.9b00153","","","0.71073","MoKα","","0.108","0.051","","","0.1081","0.1411","","","","","","1.023","","","","has coordinates","219794","2020-10-21","18:00:00",""
"4514610","6.072","","13.299","","16.147","","73.2","","82.66","","78.95","","1221.46","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O8 -","- C25 H29 N O8 -","- C50 H58 N2 O16 -","2","1","","Gerlach, Erica M.; Korkmaz, Melissa A.; Pavlinov, Ivan; Gao, Qiwen; Aldrich, Leslie N.","Systematic Diversity-Oriented Synthesis of Reduced Flavones from γ-Pyrones to Probe Biological Performance Diversity.","ACS chemical biology","2019","14","7","1536","1545","10.1021/acschembio.9b00294","","","0.71073","MoKα","","0.1885","0.1087","","","0.2489","0.2746","","","","","","1.558","","","","has coordinates,has disorder","219795","2020-10-21","18:00:00",""
"4514611","6.264","0.002","9.621","0.004","11.639","0.004","91.385","0.006","96.47","0.006","100.453","0.006","684.7","0.4","150.15","","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","1","1","","Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen","Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes","ACS Catalysis","2019","9","10","9110","","10.1021/acscatal.9b02623","","","0.71073","MoKα","","0.0716","0.0564","","","0.1388","0.1493","","","","","","1.014","","","","has coordinates","219796","2020-10-21","18:00:00",""
"4514612","15.155","0.002","17.531","0.003","22.268","0.003","90","","90","","90","","5916.2","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H63 Ir N2 O6 P2 -","- C72 H63 Ir N2 O6 P2 -","- C288 H252 Ir4 N8 O24 P8 -","4","1","","Kim, Seung Wook; Meyer, Cole C.; Mai, Binh Khanh; Liu, Peng; Krische, Michael J.","Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study","ACS Catalysis","2019","9","10","9158","","10.1021/acscatal.9b03695","","","0.71073","MoKα","","0.0261","0.0215","","","0.0353","0.0357","","","","","","1.045","","","","has coordinates,has disorder","219797","2020-10-21","18:00:00",""
"4514613","11.8365","0.0003","12.8133","0.0004","13.5157","0.0004","90","","90","","90","","2049.85","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark","Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols","ACS Catalysis","2019","9","10","9253","","10.1021/acscatal.9b03216","","","1.54178","CuKα","","0.0274","0.0269","","","0.0678","0.0685","","","","","","1.047","","","","has coordinates","219798","2020-10-21","18:00:00",""
"4514614","9.6165","0.0014","11.7307","0.0019","12.572","0.0018","93.33","0.005","100.541","0.005","92.151","0.006","1390.3","0.4","170","2","169.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br F2 N O -","- C14 H14 Br F2 N O -","- C56 H56 Br4 F8 N4 O4 -","4","2","","Chen, Yuanjin; Li, Liangkui; He, Xiao; Li, Zhiping","Four-Component Reactions for the Synthesis of Perfluoroalkyl Isoxazoles","ACS Catalysis","2019","9","10","9098","","10.1021/acscatal.9b03189","","","0.71073","MoKα","","0.1684","0.0978","","","0.2424","0.2857","","","","","","1.034","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514615","22.1057","0.0008","22.1057","0.0008","6.7305","0.0003","90","","90","","120","","2848.31","0.19","150","","150","","","","","","","","","5","P 65","P 65","170","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C120 H102 N18 O6 Pd6 -","6","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0526","0.0425","","","0.081","0.0878","","","","","","1.051","","","","has coordinates","219801","2020-10-21","18:00:00",""
"4514616","9.6348","0.0003","10.7198","0.0003","11.5837","0.0003","105.639","0.002","103.125","0.002","104.695","0.003","1056.88","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 N3 O Pd -","- C23 N3 O Pd -","- C46 N6 O2 Pd2 -","2","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0505","0.0426","","","0.1244","0.1391","","","","","","1.224","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514617","8.8691","0.0005","10.1304","0.0006","12.2386","0.0008","105.617","0.005","100.765","0.005","93.916","0.005","1032.17","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N2 O2 -","- C24 H25 N2 O2 -","- C48 H50 N4 O4 -","2","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0938","0.0587","","","0.1417","0.1834","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4514618","12.2416","0.0007","20.4922","0.0011","7.9382","0.0004","90","","91.862","0.005","90","","1990.3","0.19","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 I N O2 S -","- C20 H26 I N O2 S -","- C80 H104 I4 N4 O8 S4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.1421","0.0861","","0.263","0.2199","0.263","","","","","","0.99","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514619","6.30332","0.00004","11.85008","0.00009","28.71209","0.00018","90","","90","","90","","2144.65","0.03","100","","100","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 I O -","- C24 H35 I O -","- C96 H140 I4 O4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.0402","0.0367","","0.0967","0.0948","0.0967","","","","","","0.9998","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514620","10.2291","0.0006","13.3412","0.0007","13.527","0.0007","87.464","0.002","88.582","0.002","80.599","0.002","1819.14","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 B O2 -","- C21 H25 B O2 -","- C84 H100 B4 O8 -","4","2","","Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J.","Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization‒Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes","ACS Catalysis","2019","9","10","9034","","10.1021/acscatal.9b03444","","","1.54178","CuKα","","0.0403","0.0393","","","0.1042","0.1053","","","","","","1.044","","","","has coordinates","219805","2020-10-21","18:00:00",""
"4514621","11.4615","0.0014","5.5002","0.0006","12.6887","0.0013","90","","105.131","0.012","90","","772.17","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Yang, Hui; Wei, Guo; Jiang, Zhiyong","Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes","ACS Catalysis","2019","9","10","9599","","10.1021/acscatal.9b03567","","x-ray","1.54184","CuKα","","0.051","0.04","","","0.0923","0.1018","","","","","","1.081","","","","has coordinates,has disorder","219806","2020-10-21","18:00:00",""
"4514622","17.95158","0.00009","10.14969","0.00005","23.05206","0.00013","90","","98.418","0.0005","90","","4154.9","0.04","99.96","0.1","99.96","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H57 F6 N5 O6 -","- C44 H57 F6 N5 O6 -","- C176 H228 F24 N20 O24 -","4","0.5","","Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H.","Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis","ACS Catalysis","2019","9","10","9259","","10.1021/acscatal.9b03656","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0874","0.0879","","","","","","1.039","","","","has coordinates,has disorder","219807","2020-10-21","18:00:00",""
"4514623","15.492","0.005","24.393","0.005","18.535","0.005","90","","90","","90","","7004","3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","ZCII_74","ZCII_74","","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C224 H368 Cl16 F24 Ir8 O40 P16 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0787","0.0689","","","0.1401","0.1446","","","","","","1.203","","","","has coordinates,has disorder","219808","2020-10-21","18:00:00",""
"4514624","23.1713","0.0011","14.6301","0.0007","24.6604","0.0011","90","","90","","90","","8359.8","0.7","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H43 F3 O4 P4 Ru S -","- C44 H43 F3 O4 P4 Ru S -","- C352 H344 F24 O32 P32 Ru8 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0482","0.0331","","","0.0606","0.0661","","","","","","1.05","","","","has coordinates","219809","2020-10-21","18:00:00",""
"4514625","17.445","0.003","19.175","0.003","28.449","0.004","90","","95.41","0.009","90","","9474","3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 F6 N O6 P4 Ru S2 -","- C46 H45 F6 N O6 P4 Ru S2 -","- C368 H360 F48 N8 O48 P32 Ru8 S16 -","8","2","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0587","0.0368","","","0.0836","0.0938","","","","","","1.011","","","","has coordinates","219810","2020-10-21","18:00:00",""
"4514626","16.5246","0.0005","12.6284","0.0004","17.54","0.0005","90","","116.553","0.001","90","","3274.16","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cl2 F3 Ir O4 P2 S -","- C27 H46 Cl2 F3 Ir O4 P2 S -","- C108 H184 Cl8 F12 Ir4 O16 P8 S4 -","4","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","x-ray","0.71073","MoKα","","0.0235","0.0195","","","0.0411","0.0422","","","","","","1.051","","","","has coordinates","219811","2020-10-21","18:00:00",""
"4514627","20.5001","0.0011","9.8972","0.0005","14.0168","0.0008","90","","114.293","0.002","90","","2592.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","1","","Liu, Can; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun","RhCl3·3H2O-Catalyzed Ligand-Enabled Highly Regioselective Thiolation of Acrylic Acids","ACS Catalysis","2019","9","10","8910","","10.1021/acscatal.9b02982","","","0.71073","MoKα","","0.052","0.0367","","","0.0853","0.0975","","","","","","1.051","","","","has coordinates","219812","2020-10-21","18:00:00",""
"4514628","8.7768","0.0007","9.4553","0.0006","11.5011","0.001","75.998","0.005","71.713","0.004","79.448","0.005","873.34","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F6 O9 S2 U -","- C9 H6 F6 O9 S2 U -","- C18 H12 F12 O18 S4 U2 -","2","1","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0353","0.0303","","","0.0689","0.0706","","","","","","1.053","","","","has coordinates","219813","2020-10-21","18:00:00",""
"4514629","5.6883","0.0004","12.7612","0.0011","16.5764","0.0015","102.634","0.004","94.632","0.005","96.374","0.005","1160.02","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 F12 O20 S4 U2 -","- C32 H24 F12 O20 S4 U2 -","- C32 H24 F12 O20 S4 U2 -","1","0.5","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0274","0.0248","","","0.0544","0.0552","","","","","","1.045","","","","has coordinates","219813","2020-10-21","18:00:00",""
"4514630","9.2981","0.0004","22.059","0.0017","18.3163","0.0012","90","","102.709","0.004","90","","3664.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 N3 O11 S2 U -","- C29 H33 F6 N3 O11 S2 U -","- C116 H132 F24 N12 O44 S8 U4 -","4","1","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0576","0.0367","","","0.082","0.0882","","","","","","1.048","","","","has coordinates,has disorder","219813","2020-10-21","18:00:00",""
"4514631","6.9609","0.0002","9.0105","0.0002","32.0299","0.0007","90","","90","","90","","2008.95","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing","Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes","ACS Catalysis","2019","9","10","9127","","10.1021/acscatal.9b03172","","","1.54178","CuKα","","0.0419","0.039","","","0.1009","0.1075","","","","","","1.143","","","","has coordinates","219814","2020-10-21","18:00:00",""
"4514632","12.5451","0.0002","25.5594","0.0004","15.6511","0.0003","90","","110.747","0.002","90","","4693.02","0.15","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H43.5 O4.75 -","- C24 H43.25 O4.75 -","- C192 H346 O38 -","8","4","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0522","0.0492","","","0.1236","0.1257","","","","","","1.099","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514633","13.3181","0.0012","6.9639","0.0004","17.0635","0.0015","90","","90.091","0.008","90","","1582.6","0.2","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0978","0.0588","","","0.1064","0.1226","","","","","","1.055","","","","has coordinates","219816","2020-10-21","18:00:00",""
"4514634","18.1884","0.0004","10.5558","0.0002","25.3027","0.0007","90","","108.216","0.003","90","","4614.5","0.2","98","2","98","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N -","- C21 H17 N -","- C252 H204 N12 -","12","1.5","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0459","0.0431","","","0.1106","0.1129","","","","","","1.053","","","","has coordinates","219817","2020-10-21","18:00:00",""
"4514635","8.8592","0.0003","22.189","0.0005","8.984","0.0003","90","","114.717","0.004","90","","1604.25","0.1","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0554","0.0548","","","0.1185","0.1189","","","","","","1.058","","","","has coordinates,has disorder","219818","2020-10-21","18:00:00",""
"4514636","13.151","0.005","15.965","0.006","21.319","0.008","90","","91.921","0.006","90","","4474","3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 Cl Ni O2 P2 -","- C51 H57 Cl Ni O2 P2 -","- C204 H228 Cl4 Ni4 O8 P8 -","4","1","","McGuire, Ryan T.; Paffile, Julia F. J.; Zhou, Yuqiao; Stradiotto, Mark","Nickel-Catalyzed C‒N Cross-Coupling of Ammonia, (Hetero)anilines, and Indoles with Activated (Hetero)aryl Chlorides Enabled by Ligand Design","ACS Catalysis","2019","9","10","9292","","10.1021/acscatal.9b03715","","","0.71073","MoKα","","0.056","0.0421","","","0.1105","0.1206","","","","","","1.047","","","","has coordinates,has disorder","219819","2020-10-21","18:00:00",""
"4514637","22.2298","0.001","14.0027","0.0006","23.0551","0.0011","90","","102.788","0.001","90","","6998.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C159 H188 Cl4 N12 Rh4 -","- C159 H188 Cl4 N12 Rh4 -","- C318 H376 Cl8 N24 Rh8 -","2","0.5","","Azpíroz, Ramón; Di Giuseppe, Andrea; Urriolabeitia, Asier; Passarelli, Vincenzo; Polo, Victor; Pérez-Torrente, Jesús J.; Oro, Luis A.; Castarlenas, Ricardo","Hydride‒Rhodium(III)-N-Heterocyclic Carbene Catalyst for Tandem Alkylation/Alkenylation via C‒H Activation","ACS Catalysis","2019","9","10","9372","","10.1021/acscatal.9b01233","","","0.71073","MoKα","","0.0458","0.0335","","","0.0698","0.0752","","","","","","1.065","","","","has coordinates,has disorder","219820","2020-10-21","18:00:00",""
"4514638","11.5035","0.0002","10.7831","0.0002","13.3149","0.0002","90","","110.777","0.002","90","","1544.22","0.05","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H36 Fe N O3 P S -","- C34 H36 Fe N O3 P S -","- C68 H72 Fe2 N2 O6 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.073","0.0657","","","0.1623","0.1673","","","","","","1.036","","","","has coordinates","219821","2020-10-21","18:00:00",""
"4514639","8.8534","0.0001","12.6813","0.0001","18.9601","0.0002","90","","90","","90","","2128.7","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O3 -","- C24 H29 B O3 -","- C96 H116 B4 O12 -","4","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.0321","0.0316","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates","219822","2020-10-21","18:00:00",""
"4514640","10.5036","0.0004","11.7796","0.0004","15.6619","0.0006","90","","106.748","0.004","90","","1855.62","0.12","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.074","0.0591","","","0.1464","0.1567","","","","","","0.998","","","","has coordinates","219823","2020-10-21","18:00:00",""
"4514641","19.9451","0.0016","11.5613","0.001","20.0794","0.0015","90","","94.241","0.002","90","","4617.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 N4 O4 Rh2 -","- C50 H60 N4 O4 Rh2 -","- C200 H240 N16 O16 Rh8 -","4","1","","Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent","Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period","ACS Catalysis","2019","9","8","7457","","10.1021/acscatal.9b01480","","","0.71073","MoKα","","0.1007","0.0431","","","0.0847","0.1019","","","","","","1.006","","","","has coordinates,has disorder","219824","2020-10-21","18:00:00",""
"4514642","23.889","0.002","9.9822","0.001","19.624","0.002","90","","110.013","0.003","90","","4397.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 F20 N4 O5 Rh2 -","- C40 H26 F20 N4 O5 Rh2 -","- C160 H104 F80 N16 O20 Rh8 -","4","1","","Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent","Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period","ACS Catalysis","2019","9","8","7457","","10.1021/acscatal.9b01480","","","0.71073","MoKα","","0.1234","0.0526","","","0.1158","0.1519","","","","","","1.048","","","","has coordinates","219825","2020-10-21","18:00:00",""
"4514643","24.2076","0.0004","27.078","0.0003","21.532","0.0003","90","","106.288","0.002","90","","13547.6","0.4","103","1","103","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C103 H224 Ni4 O32 Si8 -","- C103 H224 Ni4 O32 Si8 -","- C412 H896 Ni16 O128 Si32 -","4","1","","Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe","Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites","ACS Catalysis","2019","9","8","7476","","10.1021/acscatal.9b01903","","x-ray","0.71073","MoKα","","0.0764","0.0443","","","0.0847","0.0948","","","","","","1.025","","","","has coordinates,has disorder","219826","2020-10-21","18:00:00",""
"4514644","17.4715","0.0002","10.5472","0.0001","10.9763","0.0001","90","","90","","90","","2022.66","0.04","123","0.1","123","0.1","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C48 H60 Co Li N2 O -","- C48 H60 Co Li N2 O -","- C96 H120 Co2 Li2 N4 O2 -","2","0.5","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","x-ray","1.54184","CuKα","","0.0317","0.0307","","","0.0791","0.0801","","","","","","1.057","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514645","12.3103","0.0003","12.6855","0.0003","13.5302","0.0004","69.519","0.002","77.844","0.002","79.251","0.002","1920.22","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 Co N2 -","- C45 H53 Co N2 -","- C90 H106 Co2 N4 -","2","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.0335","0.032","","","0.0814","0.0825","","","","","","1.038","","","","has coordinates","219827","2020-10-21","18:00:00",""
"4514646","27.0266","0.0007","12.0329","0.0002","22.8033","0.0006","90","","113.047","0.003","90","","6823.9","0.3","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Co N2 -","- C36 H40 Br2 Co N2 -","- C288 H320 Br16 Co8 N16 -","8","2","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","x-ray","1.54184","CuKα","","0.0892","0.0857","","","0.236","0.2404","","","","","","1.057","","","","has coordinates","219827","2020-10-21","18:00:00",""
"4514648","25.0102","0.0002","21.4146","0.0002","30.8908","0.0003","90","","90","","90","","16544.6","0.3","138.2","0.6","138.2","0.6","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H121 Co2 Li N4 O4.5 -","- C88 H117 Co2 Li N4 O4 -","- C704 H936 Co16 Li8 N32 O32 -","8","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.069","0.0623","","","0.1797","0.1864","","","","","","1.02","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514649","21.4917","0.0016","13.0279","0.001","29.987","0.002","90","","101.086","0.001","90","","8239.4","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H123 Co2 Li N4 O5 -","- C92 H123 Co2 Li N4 O5 -","- C368 H492 Co8 Li4 N16 O20 -","4","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","0.71073","MoKα","","0.065","0.0432","","","0.0994","0.11","","","","","","1.03","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514650","10.551","0.002","12.062","0.002","18.905","0.004","82.63","0.03","81.72","0.03","66.18","0.03","2171.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 B Br N2 P4 -","- C48 H44 B Br N2 P4 -","- C96 H88 B2 Br2 N4 P8 -","2","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0465","0.0391","","","0.1087","0.1249","","","","","","1.106","","","","has coordinates","219828","2020-10-21","18:00:00",""
"4514651","11.496","0.002","12.374","0.003","20.858","0.004","97.02","0.03","94.81","0.03","111.71","0.03","2709","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H51 B Br Cl5 Fe O2 P4 -","- C54.5 H51 B Br Cl5 Fe O2 P4 -","- C109 H102 B2 Br2 Cl10 Fe2 O4 P8 -","2","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.1184","0.0864","","","0.2293","0.2538","","","","","","1.011","","","","has coordinates,has disorder","219829","2020-10-21","18:00:00",""
"4514652","12.7253","0.0009","10.5434","0.0007","21.3482","0.0014","90","","102.389","0.002","90","","2797.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 B Br Fe N2 O2 P4 -","- C18 H44 B Br Fe N2 O2 P4 -","- C72 H176 B4 Br4 Fe4 N8 O8 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0634","0.0433","","","0.1033","0.1147","","","","","","1.032","","","","has coordinates,has disorder","219830","2020-10-21","18:00:00",""
"4514653","14.623","0.003","15.131","0.003","12.874","0.003","90","","90","","90","","2848.5","1","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H43 B Br Fe N2 O3 P4 -","- C19 H43 B Br Fe N2 O3 P4 -","- C76 H172 B4 Br4 Fe4 N8 O12 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0736","0.0649","","","0.1729","0.1786","","","","","","1.078","","","","has coordinates,has disorder","219831","2020-10-21","18:00:00",""
"4514654","9.7666","0.0006","7.7835","0.0005","22.574","0.0015","90","","94.062","0.002","90","","1711.73","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 S -","- C18 H21 N O5 S -","- C72 H84 N4 O20 S4 -","4","1","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.0454","0.038","","","0.1409","0.1505","","","","","","1.211","","","","has coordinates","219832","2020-10-21","18:00:00",""
"4514655","8.1162","0.0007","11.0214","0.0009","10.5496","0.0008","90","","91.17","0.002","90","","943.48","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 S -","- C18 H23 N O6 S -","- C36 H46 N2 O12 S2 -","2","1","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.1036","0.0502","","","0.0886","0.1054","","","","","","1.024","","","","has coordinates","219833","2020-10-21","18:00:00",""
"4514656","13.2477","0.0009","13.2477","0.0009","32.623","0.002","90","","90","","90","","5725.4","0.7","100","2","100","","","","","","","","","6","P 41","P 4w","76","","","","- C27 H48 Cl N2 P Ru -","- C27 H48 Cl N2 P Ru -","- C216 H384 Cl8 N16 P8 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0319","0.0309","","","0.069","0.0697","","","","","","1.021","","","","has coordinates","219834","2020-10-21","18:00:00",""
"4514657","22.5581","0.0007","12.7798","0.0004","22.1335","0.0007","90","","113.18","0.001","90","","5865.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 F9 N2 P2 Ru -","- C24 H39 F9 N2 P2 Ru -","- C192 H312 F72 N16 P16 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0468","0.0372","","","0.0948","0.104","","","","","","1.029","","","","has coordinates","219835","2020-10-21","18:00:00",""
"4514658","11.6853","0.0006","20.7278","0.001","21.1082","0.001","114.576","0.002","96.847","0.001","99.355","0.001","4487.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Cl4 F12 Ru4 -","- C40 H48 Cl4 F12 Ru4 -","- C160 H192 Cl16 F48 Ru16 -","4","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","x-ray","0.71073","MoKα","","0.0397","0.0285","","","0.0601","0.0654","","","","","","1.042","","","","has coordinates","219836","2020-10-21","18:00:00",""
"4514659","13.3641","0.0006","15.0206","0.0007","10.9602","0.0006","90","","93.975","0.002","90","","2194.82","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Cl N2 P Ru -","- C20 H34 Cl N2 P Ru -","- C80 H136 Cl4 N8 P4 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0773","0.0501","","","0.1004","0.112","","","","","","1.034","","","","has coordinates,has disorder","219837","2020-10-21","18:00:00",""
"4514660","22.7385","0.0008","13.1551","0.0005","9.5634","0.0003","90","","90","","90","","2860.67","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","ep371-3","","","- C24 H42 F6 N2 P2 Ru -","- C24 H42 F6 N2 P2 Ru -","- C96 H168 F24 N8 P8 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0702","0.0675","","","0.1755","0.1768","","","","","","1.218","","","","has coordinates","219838","2020-10-21","18:00:00",""
"4514661","13.915","0.003","14.954","0.004","10.922","0.003","90","","95.212","0.006","90","","2263.3","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl F3 N2 P Ru -","- C20 H31 Cl F3 N2 P Ru -","- C80 H124 Cl4 F12 N8 P4 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0635","0.0386","","","0.0672","0.0757","","","","","","1.013","","","","has coordinates,has disorder","219839","2020-10-21","18:00:00",""
"4514662","5.7084","0.0001","14.6112","0.0002","15.7856","0.0002","72.801","0.001","87.877","0.001","87.344","0.001","1256.02","0.03","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","","","","- C24.5 H0.5 Cl1.5 N2 O2 S3 -","- C24.5 H24.5 Cl1.5 N2 O2 S3 -","- C49 H49 Cl3 N4 O4 S6 -","2","2","","Liang, Yaoyu; Zhao, Xiaodan","Enantioselective Construction of Chiral Sulfides via Catalytic Electrophilic Azidothiolation and Oxythiolation of N-Allyl Sulfonamides","ACS Catalysis","2019","9","8","6896","","10.1021/acscatal.9b01900","","x-ray","1.54184","CuKα","","0.0576","0.0548","","","0.152","0.1558","","","","","","1.083","","","","has coordinates","219841","2020-10-21","18:00:00",""
"4514663","11.986","0.0007","9.3819","0.0006","21.7658","0.0013","90","","90","","90","","2447.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Fe N5 O7 S2 -","- C19 H32 Fe N5 O7 S2 -","- C76 H128 Fe4 N20 O28 S8 -","4","1","","Warner, Genoa R.; Somasundar, Yogesh; Jansen, Kyle C.; Kaaret, Evan Z.; Weng, Cindy; Burton, Abigail E.; Mills, Matthew R.; Shen, Longzhu Q.; Ryabov, Alexander D.; Pros, Gabrielle; Pintauer, Tomislav; Biswas, Saborni; Hendrich, Michael P.; Taylor, Julia A.; Vom Saal, Frederick S.; Collins, Terrence J.","Bioinspired, Multidisciplinary, Iterative Catalyst Design Creates the Highest Performance Peroxidase Mimics and the Field of Sustainable Ultradilute Oxidation Catalysis (SUDOC)","ACS Catalysis","2019","9","8","7023","","10.1021/acscatal.9b01409","","","0.71073","MoKα","","0.0853","0.0415","","","0.0992","0.1206","","","","","","0.627","","","","has coordinates","219842","2020-10-21","18:00:00",""
"4514664","10.3039","0.0015","11.9306","0.0018","12.985","0.002","90","","90.816","0.004","90","","1596.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","0.71073","MoKα","","0.0564","0.042","","","0.1247","0.1327","","","","","","1.278","","","","has coordinates","219843","2020-10-21","18:00:00",""
"4514665","10.2763","0.0006","11.8965","0.0006","12.9403","0.0007","90","","90.785","0.003","90","","1581.83","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54178","CuKα","","0.0604","0.0561","","","0.1374","0.1411","","","","","","1.124","","","","has coordinates","219844","2020-10-21","18:00:00",""
"4514666","16.9269","0.0005","16.7619","0.0005","8.8583","0.0003","90","","91.738","0.001","90","","2512.18","0.14","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","1","0.25","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54184","CuKα","","0.0317","0.0315","","","0.0811","0.0813","","","","","","1.071","","","","has coordinates","219845","2020-10-21","18:00:00",""
"4514667","9.89","0.003","9.938","0.003","18.564","0.005","90","","101.954","0.004","90","","1785","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 Br F3 N2 O3 -","- C18 H14 Br F3 N2 O3 -","- C72 H56 Br4 F12 N8 O12 -","4","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0449","0.0364","","","0.075","0.0792","","","","","","0.893","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514668","6.8271","0.001","16.06","0.002","29.396","0.004","90","","90","","90","","3223.1","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 Br3 N2 O3 -","- C38 H27 Br3 N2 O3 -","- C152 H108 Br12 N8 O12 -","4","1","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0745","0.049","","","0.1245","0.1481","","","","","","0.816","","","","has coordinates","219847","2020-10-21","18:00:00",""
"4514669","9.7248","0.0016","9.7248","","48.32","0.008","90","","90","","90","","4569.7","1.1","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C200 H200 Br8 N16 O16 S8 -","8","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.1232","0.0595","","","0.0818","0.1021","","","","","","0.971","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514670","15.8408","0.0008","13.142","0.0007","16.3982","0.0009","90","","98.987","0.002","90","","3371.9","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C176 H160 O16 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0411","0.0359","","","0.0917","0.096","","","","","","1.028","","","","has coordinates","219849","2020-10-21","18:00:00",""
"4514671","15.6269","0.001","10.8792","0.0007","22.0724","0.0015","90","","100.839","0.002","90","","3685.5","0.4","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C200 H152 N8 O16 -","8","2","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0544","0.0386","","","0.0985","0.1086","","","","","","1.033","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514672","8.2853","0.0005","31.984","0.0018","19.542","0.0011","90","","93.546","0.003","90","","5168.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C288 H176 N16 O16 -","16","4","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0723","0.0616","","","0.1554","0.1615","","","","","","1.138","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514673","9.9466","0.0006","17.8664","0.001","9.4521","0.0005","90","","100.253","0.003","90","","1652.91","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0644","0.0424","","","0.1033","0.1177","","","","","","1.03","","","","has coordinates","219852","2020-10-21","18:00:00",""
"4514674","7.861","0.002","9.282","0.003","9.934","0.003","83.675","0.009","72.702","0.009","85.815","0.009","687.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O -","- C19 H13 N O -","- C38 H26 N2 O2 -","2","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.049","0.0359","","","0.0888","0.0959","","","","","","1.031","","","","has coordinates","219853","2020-10-21","18:00:00",""
"4514675","24.6109","0.0019","12.239","0.0008","14.7299","0.001","90","","98.22","0.003","90","","4391.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 O3 -","- C30 H22 O3 -","- C240 H176 O24 -","8","2","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0825","0.0556","","","0.1356","0.1511","","","","","","1.056","","","","has coordinates","219854","2020-10-21","18:00:00",""
"4514676","14.1394","0.0003","15.0162","0.0005","28.9031","0.0009","77.688","0.002","87.174","0.001","78.469","0.001","5874.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H55 B F4 N3 O5 P2 Rh -","- C54 H55 B F4 N3 O5 P2 Rh -","- C216 H220 B4 F16 N12 O20 P8 Rh4 -","4","2","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.051","0.0388","","","0.0961","0.1012","","","","","","1.021","","","","has coordinates","219855","2020-10-21","18:00:00",""
"4514677","12.6207","0.0004","13.6039","0.0004","15.2008","0.0006","72.598","0.002","83.301","0.001","76.784","0.002","2421.15","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H49 B F4 N5 O5 P2 Rh -","- C50 H49 B F4 N5 O5 P2 Rh -","- C100 H98 B2 F8 N10 O10 P4 Rh2 -","2","1","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.0549","0.0342","","","0.0731","0.0796","","","","","","1.014","","","","has coordinates","219855","2020-10-21","18:00:00",""
"4514678","14.1446","0.0005","25.4077","0.0011","15.6384","0.0005","90","","94.839","0.002","90","","5600.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H86 B2 F8 N6 O10 P4 Rh2 -","- C92 H86 B2 F8 N6 O10 P4 Rh2 -","- C184 H172 B4 F16 N12 O20 P8 Rh4 -","2","0.5","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.0834","0.0573","","","0.1435","0.1574","","","","","","1.05","","","","has coordinates","219855","2020-10-21","18:00:00",""
"4514679","11.3502","0.0004","7.45","0.0002","20.6376","0.0006","90","","91.376","0.003","90","","1744.59","0.09","100.03","0.15","100.03","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 B Br N O2 -","- C17 H21 B Br N O2 -","- C68 H84 B4 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0536","0.0407","","","0.0861","0.0894","","","","","","1.051","","","","has coordinates","219856","2020-10-21","18:00:00",""
"4514680","14.62776","0.00018","8.05742","0.0001","15.00218","0.00018","90","","97.0979","0.0012","90","","1754.64","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","1.54184","CuKα","","0.0359","0.0322","","","0.0875","0.0942","","","","","","1.063","","","","has coordinates","219857","2020-10-21","18:00:00",""
"4514681","9.8268","0.0005","5.6439","0.0003","9.8652","0.0005","90","","99.353","0.005","90","","539.86","0.05","99.95","0.17","99.95","0.17","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 I0.96 N O -","- C11 H10 I0.96 N O -","- C22 H20 I1.92 N2 O2 -","2","1","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.2182","0.2365","","","","","","1.228","","","","has coordinates","219858","2020-10-21","18:00:00",""
"4514682","9.3121","0.0004","10.7025","0.0005","8.4772","0.0004","90","","97.201","0.004","90","","838.2","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O4 Pd -","- C14 H24 N2 O4 Pd -","- C28 H48 N4 O8 Pd2 -","2","0.5","","Feng, Wenhui; Wang, Tianyang; Liu, Dongzhi; Wang, Xiaotai; Dang, Yanfeng","Mechanism of the Palladium-Catalyzed C(sp3)‒H Arylation of Aliphatic Amines: Unraveling the Crucial Role of Silver(I) Additives","ACS Catalysis","2019","9","8","6672","","10.1021/acscatal.9b01412","","x-ray","1.54184","CuKα","","0.0591","0.0576","","","0.1638","0.168","","","","","","1.106","","","","has coordinates","219859","2020-10-21","18:00:00",""
"4514683","12.0088","0.0005","12.3492","0.0005","17.137","0.0007","101.431","0.001","106.142","0.001","105.372","0.001","2250.17","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","JZII104B","","","- C42 H35 F12 N11 P2 Pd2 -","- C42 H35 F12 N11 P2 Pd2 -","- C84 H70 F24 N22 P4 Pd4 -","2","1","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0363","0.0271","","","0.0632","0.0697","","","","","","1.068","","","","has coordinates,has disorder","219860","2020-10-21","18:00:00",""
"4514684","8.7896","0.0004","12.4079","0.0006","13.433","0.0007","108.517","0.001","105.407","0.001","103.424","0.002","1256.4","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","JZ-I-173B","","","- C25 H20 Cl F6 N4 O P Pd -","- C25 H20 Cl F6 N4 O P Pd -","- C50 H40 Cl2 F12 N8 O2 P2 Pd2 -","2","1","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0348","0.0283","","","0.0689","0.0722","","","","","","1.04","","","","has coordinates","219861","2020-10-21","18:00:00",""
"4514685","25.202","0.002","8.3844","0.0007","24.157","0.002","90","","108.454","0.0017","90","","4842","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","JZ-I-126B","","","- C45 H48 F12 N8 O3 P2 Pd2 -","- C45 H48 F12 N8 O3 P2 Pd2 -","- C180 H192 F48 N32 O12 P8 Pd8 -","4","0.5","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0467","0.0318","","","0.0748","0.0817","","","","","","1.07","","","","has coordinates,has disorder","219862","2020-10-21","18:00:00",""
"4514686","10.3636","0.0007","10.0648","0.0007","28.9197","0.0016","90","","99.7","0.006","90","","2973.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br F3 N3 O2 -","- C12 H11 Br F3 N3 O2 -","- C96 H88 Br8 F24 N24 O16 -","8","2","","Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An","Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines","ACS Catalysis","2019","9","5","4600","","10.1021/acscatal.9b00846","","","0.71073","MoKα","","0.1434","0.0748","","","0.1716","0.2088","","","","","","1.018","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4514687","17.29","0.03","4.519","0.007","20.77","0.03","90","","111.24","0.02","90","","1513","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C60 H44 Cl4 F12 N4 O8 -","4","1","","Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An","Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines","ACS Catalysis","2019","9","5","4600","","10.1021/acscatal.9b00846","","","0.71073","MoKα","","0.1772","0.0786","","","0.204","0.2682","","","","","","0.949","","","","has coordinates","219864","2020-10-21","18:00:00",""
"4514688","11.5593","0.0011","7.8828","0.0007","27.35","0.003","90","","98.043","0.001","90","","2467.6","0.4","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C136 H104 N8 -","4","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Visible-Light-Triggered Monofluoromethylation of Alkenes by Strongly Reducing 1,4-Bis(diphenylamino)naphthalene Photoredox Catalysis","ACS Catalysis","2019","9","5","4382","","10.1021/acscatal.9b00473","","","0.71073","MoKα","","0.0408","0.0319","","","0.073","0.0773","","","","","","1.006","","","","has coordinates","219865","2020-10-21","18:00:00",""
"4514689","9.0328","0.0003","9.506","0.0003","13.9771","0.0003","90.165","0.002","95.249","0.002","115.51","0.003","1077.42","0.06","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F3 N O5 S -","- C21 H20 F3 N O5 S -","- C42 H40 F6 N2 O10 S2 -","2","2","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0659","0.064","","","0.1717","0.1746","","","","","","1.04","","","","has coordinates","219866","2020-10-21","18:00:00",""
"4514690","9.2464","0.0003","10.0773","0.0004","23.4808","0.0009","90","","90","","90","","2187.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C96 H100 N12 O16 -","4","1","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1297","0.1327","","","","","","1.05","","","","has coordinates","219867","2020-10-21","18:00:00",""
"4514691","8.618","0.002","11.775","0.003","18.166","0.005","90","","103.293","0.003","90","","1794","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O -","- C25 H17 N O -","- C100 H68 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","","0.71073","MoKα","","0.1023","0.0471","","","0.098","0.1226","","","","","","0.969","","","","has coordinates","219868","2020-10-21","18:00:00",""
"4514692","8.1125","0.0002","12.1517","0.0004","23.1044","0.0007","90","","90","","90","","2277.65","0.12","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","x-ray","1.54184","CuKα","","0.0541","0.044","","","0.1159","0.1371","","","","","","0.933","","","","has coordinates","219869","2020-10-21","18:00:00",""
"4514693","8.7123","0.0006","16.0813","0.0012","20.4271","0.0017","90","","90","","90","","2861.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N6 Ni O6 -","- C24 H46 N6 Ni O6 -","- C96 H184 N24 Ni4 O24 -","4","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.0602","0.0448","","","0.0985","0.1058","","","","","","1.028","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514694","55.552","0.006","6.2616","0.0008","15.8906","0.0017","90","","100.323","0.003","90","","5438","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H44 N6 Ni O9 -","- C21 H44 N6 Ni O9 -","- C168 H352 N48 Ni8 O72 -","8","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.1021","0.0677","","","0.1595","0.1819","","","","","","1.014","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514695","6.2208","0.0008","18.757","0.002","17.484","0.002","90","","93.268","0.003","90","","2036.8","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","1","","Han, Chunhua; Fu, Zhiyuan; Guo, Songjin; Fang, Xinxin; Lin, Aijun; Yao, Hequan","Palladium-Catalyzed Remote 1,n-Arylamination of Unactivated Terminal Alkenes","ACS Catalysis","2019","9","5","4196","","10.1021/acscatal.9b00688","","","0.71073","MoKα","","0.057","0.0419","","","0.1272","0.1436","","","","","","1.004","","","","has coordinates","219871","2020-10-21","18:00:00",""
"4514696","20.138","0.002","13.1828","0.0013","24.998","0.002","90","","106.912","0.0016","90","","6349.4","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 F7 N2 O4 P Pd S -","- C58 H84 F7 N2 O4 P Pd S -","- C232 H336 F28 N8 O16 P4 Pd4 S4 -","4","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Pd-Catalyzed C‒N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines","ACS Catalysis","2019","9","5","3822","","10.1021/acscatal.9b00981","","","0.71073","MoKα","","0.0793","0.0562","","","0.1448","0.1609","","","","","","1.028","","","","has coordinates,has disorder","219872","2020-10-21","18:00:00",""
"4514697","13.159","0.002","15.396","0.003","21.596","0.004","90.092","0.004","92.283","0.004","101.727","0.004","4280.3","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H73.5 P2 Ru S -","- C43 H73.5 P2 Ru S -","- C172 H294 P8 Ru4 S4 -","4","2","","Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes","ACS Catalysis","2019","9","5","4072","","10.1021/acscatal.8b05172","","","0.71073","MoKα","","0.1021","0.066","","","0.1492","0.1674","","","","","","1.031","","","","has coordinates,has disorder","219873","2020-10-21","18:00:00",""
"4514698","13.2907","0.0013","15.6689","0.0014","18.8836","0.0018","90","","105.176","0.0019","90","","3795.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 P2 Ru S -","- C38 H62 P2 Ru S -","- C152 H248 P8 Ru4 S4 -","4","1","","Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes","ACS Catalysis","2019","9","5","4072","","10.1021/acscatal.8b05172","","","0.71073","MoKα","","0.0942","0.067","","","0.1354","0.1462","","","","","","1.079","","","","has coordinates,has disorder","219874","2020-10-21","18:00:00",""
"4514699","9.4966","0.001","9.593","0.0008","17.63","0.003","101.894","0.006","96.481","0.006","102.236","0.004","1515.2","0.3","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Br1.02 Fe P3 -","- C30 H41 Br1.0251 Fe P3 -","- C60 H82 Br2.0502 Fe2 P6 -","2","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0272","0.0232","","","0.0557","0.0573","","","","","","1.061","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514700","17.626","0.002","10.7764","0.0008","16.1774","0.0019","90","","98.63","0.003","90","","3038","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Fe N4 P3 -","- C30 H41 Fe N4 P3 -","- C120 H164 Fe4 N16 P12 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0583","0.0385","","","0.1013","0.1167","","","","","","1.114","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514701","22.4451","0.0018","12.1053","0.0006","25.482","0.002","90","","101.904","0.004","90","","6774.7","0.8","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H106 B2 F48 Fe2 N8 P6 -","- C129 H106 B2 F48 Fe2 N8 P6 -","- C258 H212 B4 F96 Fe4 N16 P12 -","2","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","","","0.1178","0.0967","","","0.2546","0.2736","","","","","","1.021","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514702","10.4864","0.0006","23.9154","0.0017","17.8619","0.001","90","","93.645","0.003","90","","4470.5","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 Fe K N2 O6 P3 -","- C42 H65 Fe K N2 O6 P3 -","- C168 H260 Fe4 K4 N8 O24 P12 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0682","0.046","","","0.0998","0.108","","","","","","1.062","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514703","25.9569","0.0013","17.0296","0.0009","12.1851","0.0006","90","","90","","90","","5386.2","0.5","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","P2PFeanion","","- C40 H61 Fe K N2 O4 P3 -","- C40 H61 Fe K N2 O4 P3 -","- C160 H244 Fe4 K4 N8 O16 P12 -","4","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1162","0.1026","","","0.3059","0.3201","","","","","","1.123","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514704","14.6713","0.0013","16.6256","0.0009","18.7129","0.0012","90","","102.506","0.003","90","","4456.1","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H130 Fe2 K4 N4 O6 P6 -","- C84 H130 Fe2 K4 N4 O6 P6 -","- C168 H260 Fe4 K8 N8 O12 P12 -","2","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1074","0.0569","","","0.1094","0.1263","","","","","","1.013","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514705","10.5863","0.0009","16.3326","0.0012","20.8095","0.0017","90","","90","","90","","3598","0.5","125","2","124.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Fe K N2 P3 Si -","- C33 H50 Fe K N2 P3 Si -","- C132 H200 Fe4 K4 N8 P12 Si4 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","CuKα","","0.0873","0.067","","","0.149","0.1606","","","","","","1.062","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514706","8.3908","0.0002","20.0893","0.0006","14.6398","0.0004","90","","100.46","0.003","90","","2426.75","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O2 Pd -","- C28 H26 N4 O2 Pd -","- C112 H104 N16 O8 Pd4 -","4","1","","Luo, Yun-Cheng; Yang, Chao; Qiu, Sheng-Qi; Liang, Qiu-Ju; Xu, Yun-He; Loh, Teck-Peng","Palladium(II)-Catalyzed Stereospecific Alkenyl C‒H Bond Alkylation of Allylamines with Alkyl Iodides","ACS Catalysis","2019","9","5","4271","","10.1021/acscatal.8b04415","","x-ray","1.54184","CuKα","","0.0861","0.0703","","","0.1842","0.1918","","","","","","1.019","","","","has coordinates","219877","2020-10-21","18:00:00",""
"4514707","9.5625","0.0005","11.3203","0.0004","24.4937","0.001","90","","90","","90","","2651.5","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 Co N4 O -","- C26 H28 Cl2 Co N4 O -","- C104 H112 Cl8 Co4 N16 O4 -","4","1","","Chen, Xu; Cheng, Zhaoyang; Lu, Zhan","Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes","ACS Catalysis","2019","9","5","4025","","10.1021/acscatal.8b05135","","","0.71073","MoKα","","0.0523","0.0382","","","0.0763","0.0842","","","","","","1.061","","","","has coordinates","219878","2020-10-21","18:00:00",""
"4514708","10.2617","0.0002","16.0861","0.0002","17.7316","0.0002","100.697","0.001","90.004","0.001","105.821","0.001","2763.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H73 Ni2 O3 P2 -","- C63 H73 Ni2 O3 P2 -","- C126 H146 Ni4 O6 P4 -","2","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","","0.71073","MoKα","","0.091","0.0873","","","0.2546","0.2597","","","","","","1.126","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514709","8.6245","0.0011","9.0612","0.0012","20.838","0.002","84.848","0.01","88.901","0.009","62.929","0.013","1443.8","0.3","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Ni O2 P S -","- C32 H37 Ni O2 P S -","- C64 H74 Ni2 O4 P2 S2 -","2","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.1371","0.079","","","0.1384","0.1563","","","","","","1.023","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514710","22.1829","0.0013","9.2102","0.0007","15.4936","0.001","90","","94.271","0.006","90","","3156.7","0.4","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ni O3 P -","- C34 H42 B Ni O3 P -","- C136 H168 B4 Ni4 O12 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.1068","0.0907","","","0.2119","0.2211","","","","","","1.093","","","","has coordinates,has disorder","219879","2020-10-21","18:00:00",""
"4514711","8.8285","0.0006","20.3843","0.0015","17.3286","0.0013","90","","95.23","0.008","90","","3105.5","0.4","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B Ni O P -","- C36 H44 B Ni O P -","- C144 H176 B4 Ni4 O4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.0943","0.0672","","","0.1563","0.1692","","","","","","1.057","","","","has coordinates,has disorder","219879","2020-10-21","18:00:00",""
"4514712","8.8889","0.0003","15.1597","0.0004","17.8889","0.0005","91.217","0.002","96.831","0.002","90.693","0.002","2392.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 Ni P -","- C28 H31 Ni P -","- C112 H124 Ni4 P4 -","4","2","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.0634","0.0477","","","0.1227","0.1342","","","","","","1.078","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514713","16.7529","0.0001","10.1199","0.0001","14.6061","0.0001","90","","90","","90","","2476.28","0.03","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H30 Br Ni P -","- C28 H30 Br Ni P -","- C112 H120 Br4 Ni4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.026","0.0221","","","0.0573","0.0595","","","","","","1.045","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514714","15.588","0.0007","10.6978","0.0005","14.1186","0.0007","90","","107.935","0.005","90","","2239.97","0.19","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B2 N O4 -","- C21 H31 B2 N O4 -","- C84 H124 B8 N4 O16 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.0597","0.0539","","","0.1356","0.1413","","","","","","1.071","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514715","9.5332","0.0003","9.5332","0.0003","19.5349","0.0008","90","","90","","120","","1537.51","0.09","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C23 H21 Br N2 O3 -","- C23 H21 Br N2 O3 -","- C69 H63 Br3 N6 O9 -","3","1","","Das, Tamal Kanti; Ghosh, Avik; Balanna, Kuruva; Behera, Pradipta; Gonnade, Rajesh G.; Marelli, Udaya Kiran; Das, Abhijit Kumar; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Umpolung of Imines for the Enantioselective Synthesis of Dihydroquinoxalines","ACS Catalysis","2019","9","5","4065","","10.1021/acscatal.9b00737","","","0.71073","MoKα","","0.0205","0.0193","","","0.0478","0.048","","","","","","1.058","","","","has coordinates","219880","2020-10-21","18:00:00",""
"4514716","8.3903","0.0003","17.9634","0.0005","9.3448","0.0003","90","","112.656","0.004","90","","1299.75","0.08","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 S2 -","- C14 H11 N O2 S2 -","- C56 H44 N4 O8 S8 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.0885","0.0886","","","","","","1.048","","","","has coordinates","219881","2020-10-21","18:00:00",""
"4514717","17.7962","0.0006","4.9199","0.0002","19.1526","0.0006","90","","105.417","0.003","90","","1616.57","0.1","98","2","98","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 Br2 N2 O2 S -","- C18 H10 Br2 N2 O2 S -","- C72 H40 Br8 N8 O8 S4 -","4","0.5","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0249","0.0232","","","0.064","0.0656","","","","","","1.038","","","","has coordinates","219882","2020-10-21","18:00:00",""
"4514718","14.2892","0.0008","10.414","0.0005","7.4904","0.0004","90","","103.95","0.005","90","","1081.76","0.1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0583","0.058","","","0.125","0.1251","","","","","","1.044","","","","has coordinates","219883","2020-10-21","18:00:00",""
"4514719","18.9763","0.0008","13.5616","0.0003","24.1428","0.0006","90","","95.348","0.002","90","","6186.1","0.3","98","2","98","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C18 H10 Cl2 N2 S -","- C18 H10 Cl2 N2 S -","- C288 H160 Cl32 N32 S16 -","16","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0433","0.0422","","","0.1193","0.1203","","","","","","1.079","","","","has coordinates","219884","2020-10-21","18:00:00",""
"4514720","14.4698","0.0006","5.8318","0.0003","11.9918","0.0006","90","","103.449","0.004","90","","984.18","0.08","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O2 S -","- C10 H8 Cl N O2 S -","- C40 H32 Cl4 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.046","0.0457","","","0.1115","0.1116","","","","","","1.081","","","","has coordinates","219885","2020-10-21","18:00:00",""
"4514721","10.7209","0.0002","11.7327","0.0002","13.2944","0.0003","90","","97.17","0.002","90","","1659.16","0.06","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl N2 O4 S -","- C17 H15 Cl N2 O4 S -","- C68 H60 Cl4 N8 O16 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0386","0.0379","","","0.0815","0.0819","","","","","","0.991","","","","has coordinates","219886","2020-10-21","18:00:00",""
"4514722","8.3782","0.0002","8.266","0.0002","20.0756","0.0005","90","","97","0.002","90","","1379.96","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0403","0.0391","","","0.0881","0.0889","","","","","","1.064","","","","has coordinates","219887","2020-10-21","18:00:00",""
"4514723","12.9582","0.0003","9.0843","0.0001","14.2001","0.0003","90","","108.155","0.002","90","","1588.37","0.06","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 N2 O2 S -","- C18 H10 Cl2 N2 O2 S -","- C72 H40 Cl8 N8 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0378","0.0372","","","0.091","0.0914","","","","","","1.092","","","","has coordinates","219888","2020-10-21","18:00:00",""
"4514724","8.9497","0.001","9.3068","0.0014","15.389","0.0017","90","","90","","90","","1281.8","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0343","0.0333","","","0.0777","0.0783","","","","","","1.036","","","","has coordinates","219889","2020-10-21","18:00:00",""
"4514725","8.2088","0.0003","24.9454","0.0006","6.8433","0.0002","90","","94.558","0.003","90","","1396.88","0.07","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0602","0.0595","","","0.1482","0.1487","","","","","","1.029","","","","has coordinates","219890","2020-10-21","18:00:00",""
"4514726","7.6361","0.0002","13.7285","0.0004","14.864","0.0004","69.516","0.002","85.244","0.002","83.871","0.002","1449.62","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N2 O2 S -","- C18 H12 N2 O2 S -","- C72 H48 N8 O8 S4 -","4","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.042","0.0411","","","0.09","0.0906","","","","","","1.054","","","","has coordinates","219891","2020-10-21","18:00:00",""
"4514727","7.5118","0.0004","8.3229","0.0005","12.1237","0.0008","84.045","0.005","88.396","0.005","77.487","0.005","735.96","0.08","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F N O4 S -","- C17 H14 F N O4 S -","- C34 H28 F2 N2 O8 S2 -","2","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0393","0.0392","","","0.0837","0.0837","","","","","","1.015","","","","has coordinates","219892","2020-10-21","18:00:00",""
"4514728","7.8092","0.0002","9.7669","0.0002","14.5366","0.0003","104.686","0.002","101.315","0.002","100.756","0.002","1018.49","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C44 H48 N4 O12 S2 -","2","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.05","0.0494","","","0.113","0.1134","","","","","","1.028","","","","has coordinates","219893","2020-10-21","18:00:00",""
"4514729","15.7798","0.0003","11.6418","0.0002","22.199","0.0004","90","","106.677","0.002","90","","3906.54","0.13","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl N O2 S -","- C22 H22 Cl N O2 S -","- C176 H176 Cl8 N8 O16 S8 -","8","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0374","0.0372","","","0.0874","0.0875","","","","","","1.047","","","","has coordinates","219894","2020-10-21","18:00:00",""
"4514730","8.3065","0.0017","16.337","0.003","7.6187","0.0015","90","","99.14","0.03","90","","1020.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I2 N4 Pd -","- C18 H20 I2 N4 Pd -","- C36 H40 I4 N8 Pd2 -","2","0.5","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9699","synchrotron","","0.0678","0.052","","","0.1172","0.1278","","","","","","1.074","","","","has coordinates","219895","2020-10-21","18:00:00",""
"4514731","18.486","0.004","9.2309","0.0019","20.682","0.004","90","","106.8","0.03","90","","3378.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Br4 Hg2 N4 -","- C26 H36 Br4 Hg2 N4 -","- C104 H144 Br16 Hg8 N16 -","4","0.5","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9626","synchrotron","","0.1232","0.0979","","","0.2224","0.2533","","","","","","0.951","","","","has coordinates","219896","2020-10-21","18:00:00",""
"4514732","10.648","0.002","20.021","0.004","12.134","0.002","90","","95.49","0.03","90","","2574.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Hg2 I4 N4 -","- C18 H20 Hg2 I4 N4 -","- C72 H80 Hg8 I16 N16 -","4","1","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9699","synchrotron","","0.0907","0.0813","","","0.1763","0.1886","","","","","","0.86","","","","has coordinates","219897","2020-10-21","18:00:00",""
"4514733","39.446","0.002","39.446","0.002","16.4166","0.001","90","","90","","120","","22122","2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C102.56 H52 F2 O34 Zr6 -","- C102.56 H52 F2 O34 Zr6 -","- C307.68 H156 F6 O102 Zr18 -","3","0.125","","Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T.","Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2019","9","4","3198","","10.1021/acscatal.8b04828","","","0.71073","MoKα","","0.1251","0.0798","","","0.2346","0.2736","","","","","","1.068","","","","has coordinates,has disorder","219898","2020-10-21","18:00:00",""
"4514734","22.883","0.0008","9.2579","0.0003","21.1481","0.0008","90","","115.533","0.004","90","","4042.6","0.3","93","2","93","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C51 H53 Ni P2 -","- C51 H53 Ni P2 -","- C204 H212 Ni4 P8 -","4","1","","Charboneau, David J.; Brudvig, Gary W.; Hazari, Nilay; Lant, Hannah M. C.; Saydjari, Andrew K.","Development of an Improved System for the Carboxylation of Aryl Halides through Mechanistic Studies.","ACS catalysis","2019","9","4","3228","3241","10.1021/acscatal.9b00566","","","0.71073","MoKα","","0.1116","0.0566","","","0.0989","0.1163","","","","","","1.014","","","","has coordinates","219899","2020-10-21","18:00:00",""
"4514735","7.7672","0.0008","8.6398","0.0009","22.845","0.002","90","","90","","90","","1533.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Dai, Yuanwei; Tian, Baotong; Chen, Huan; Zhang, Qiang","Palladium-Catalyzed Stereospecific C-Glycosylation of Glycals with Vinylogous Acceptors","ACS Catalysis","2019","9","4","2909","","10.1021/acscatal.9b00336","","","0.71073","MoKα","","0.051","0.0402","","","0.0812","0.086","","","","","","1.071","","","","has coordinates","219900","2020-10-21","18:00:00",""
"4514736","9.1154","0.0003","9.7854","0.0003","14.6304","0.0005","90","","96.443","0.004","90","","1296.76","0.07","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H37 N3 O4 Si -","- C22 H37 N3 O4 Si -","- C44 H74 N6 O8 Si2 -","2","1","","Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng","Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)‒H Silylation","ACS Catalysis","2019","9","4","3298","","10.1021/acscatal.9b00544","","","1.54184","CuKα","","0.0593","0.0526","","","0.1367","0.1478","","","","","","1.039","","","","has coordinates","219901","2020-10-21","18:00:00",""
"4514737","14.5138","0.0002","18.5644","0.0003","21.462","0.0003","104.385","0.001","102.683","0.001","107.545","0.001","5062.15","0.14","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C89 H64 Al B2 F36 N O6 P4 Rh2 -","- C89 H64 Al B2 F36 N O6 P4 Rh2 -","- C178 H128 Al2 B4 F72 N2 O12 P8 Rh4 -","2","1","","Adams, Gemma M.; Ryan, David E.; Beattie, Nicholas A.; McKay, Alasdair I.; Lloyd-Jones, Guy C; Weller, Andrew S.","Dehydropolymerization of H<sub>3</sub>B·NMeH<sub>2</sub> Using a [Rh(DPEphos)]<sup>+</sup> Catalyst: The Promoting Effect of NMeH<sub>2</sub>.","ACS catalysis","2019","9","4","3657","3666","10.1021/acscatal.9b00081","","x-ray","1.54184","CuKα","","0.0717","0.0579","","","0.1577","0.173","","","","","","1.027","","","","has coordinates,has disorder","219902","2020-10-21","18:00:00",""
"4514738","11.8371","0.0009","14.1571","0.001","16.2044","0.0012","90","","99.776","0.003","90","","2676.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl F Ni P2 -","- C27 H36 Cl F Ni P2 -","- C108 H144 Cl4 F4 Ni4 P8 -","4","1","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.046","0.0304","","","0.0658","0.0708","","","","","","1.04","","","","has coordinates","219903","2020-10-21","18:00:00",""
"4514739","8.6752","0.0003","12.5702","0.0004","14.4059","0.0005","90","","101.795","0.001","90","","1537.78","0.09","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C29 H42 F N Ni O3 P2 S -","- C29 H42 F N Ni O3 P2 S -","- C58 H84 F2 N2 Ni2 O6 P4 S2 -","2","0.5","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0593","0.0613","","","","","","1.07","","","","has coordinates,has disorder","219904","2020-10-21","18:00:00",""
"4514740","15.4307","0.0005","22.1735","0.0008","10.8845","0.0003","90","","90","","90","","3724.2","0.2","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H58 Co I N4 P2 Zr -","- C32 H58 Co I N4 P2 Zr -","- C128 H232 Co4 I4 N16 P8 Zr4 -","4","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0333","0.0283","","0.0668","0.0643","0.0668","","","","","","1.038","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514741","11.4073","0.0004","12.4796","0.0004","14.109","0.0004","100.063","0.002","97.493","0.002","112.211","0.002","1787.87","0.11","120","2","120","2","","","","","","","","7","P -1","-P 1","2","KG-595","","","- C56 H92 Co2 I6 N4 P4 Zr2 -","- C56 H92 Co2 I6 N4 P4 Zr2 -","- C56 H92 Co2 I6 N4 P4 Zr2 -","1","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0374","0.0263","","","0.0532","0.0563","","","","","","1.028","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514742","9.9663","0.0003","10.4166","0.0003","23.1907","0.0007","81.58","0.002","83.529","0.002","82.278","0.002","2349.34","0.12","120","2","120","2","","","","","","","","8","P -1","-P 1","2","KG872","","","- C45 H67 Co I N2 O P3 Zr -","- C45 H67 Co I N2 O P3 Zr -","- C90 H134 Co2 I2 N4 O2 P6 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.068","0.0426","","","0.0932","0.1039","","","","","","1.028","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514743","38.6599","0.0012","12.0858","0.0004","18.3535","0.0006","90","","103.833","0.002","90","","8326.7","0.5","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","KG_665","","","- C35 H65 Co I N2 O P3 Zr -","- C35 H65 Co I N2 O P3 Zr -","- C280 H520 Co8 I8 N16 O8 P24 Zr8 -","8","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.037","0.0263","","","0.0607","0.0653","","","","","","1.026","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514744","12.2182","0.0007","13.374","0.0007","16.9003","0.0009","70.756","0.002","71.3","0.002","74.862","0.002","2432.1","0.2","150.15","","150.15","","","","","","","","","8","P -1","-P 1","2","","C45H69CoIN2OP3Zr","","- C45 H69 Co I N2 O P3 Zr -","- C45 H69 Co I N2 O P3 Zr -","- C90 H138 Co2 I2 N4 O2 P6 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","x-ray","0.71073","MoKα","","0.0443","0.0332","","","0.0812","0.0894","","","","","","1.055","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514745","10.7474","0.0004","11.7734","0.0004","20.3607","0.0007","77.69","0.002","79.557","0.002","69.802","0.002","2345.95","0.15","120","2","120.06","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H64 Co I N2 O P2 Zr -","- C46 H64 Co I N2 O P2 Zr -","- C92 H128 Co2 I2 N4 O2 P4 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0613","0.0397","","","0.0885","0.0971","","","","","","1.049","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514746","6.5323","0.0002","24.418","0.0006","9.191","0.0002","90","","104.387","0.001","90","","1420.04","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 B N3 O4 -","- C31 H38 B N3 O4 -","- C62 H76 B2 N6 O8 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0483","0.0398","","","0.0878","0.0923","","","","","","1.045","","","","has coordinates","219906","2020-10-21","18:00:00",""
"4514747","8.6104","0.0004","10.5955","0.0005","17.71","0.0009","90","","99.051","0.001","90","","1595.59","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 Pd -","- C17 H18 N2 O3 Pd -","- C68 H72 N8 O12 Pd4 -","4","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","0.71073","MoKα","","0.024","0.0214","","","0.0516","0.0529","","","","","","1.141","","","","has coordinates","219907","2020-10-21","18:00:00",""
"4514748","6.3743","0.0001","23.6017","0.0006","9.0486","0.0002","90","","101.68","0.002","90","","1333.12","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0255","0.0248","","","0.0607","0.0611","","","","","","1.035","","","","has coordinates","219908","2020-10-21","18:00:00",""
"4514749","8.7707","0.0009","11.7137","0.0012","13.5892","0.0012","82.784","0.003","81.615","0.003","88.403","0.003","1370.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N6 O10 Zn2 -","- C44 H40 N6 O10 Zn2 -","- C44 H40 N6 O10 Zn2 -","1","0.5","","Markad, Datta; Mandal, Sanjay K.","Design of a Primary-Amide-Functionalized Highly Efficient and Recyclable Hydrogen-Bond-Donating Heterogeneous Catalyst for the Friedel‒Crafts Alkylation of Indoles with β-Nitrostyrenes","ACS Catalysis","2019","9","4","3165","","10.1021/acscatal.8b04962","","","0.71073","MoKα","","0.0709","0.0593","","","0.185","0.1911","","","","","","1.173","","","","has coordinates","219909","2020-10-21","18:00:00",""
"4514750","30.115","0.003","11.645","0.002","20.4586","0.0019","90","","102.223","0.008","90","","7012","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Cl F2 Ni P2 -","- C42 H33 Cl F2 Ni P2 -","- C336 H264 Cl8 F16 Ni8 P16 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.0442","0.0323","","","0.0787","0.082","","","","","","1.029","","","","has coordinates","219910","2020-10-21","18:00:00",""
"4514751","16.868","0.001","20.0011","0.0013","26.7439","0.0018","90","","90","","90","","9022.8","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H58 F2 N Ni O2 P -","- C51 H58 F2 N Ni O2 P -","- C408 H464 F16 N8 Ni8 O16 P8 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.1466","0.0583","","","0.0957","0.1326","","","","","","0.889","","","","has coordinates","219911","2020-10-21","18:00:00",""
"4514752","4.7773","0.0019","16.685","0.007","6.289","0.003","90","","104.66","0.01","90","","485","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Sawano, Takahiro; Yamamoto, Hisashi","Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex","ACS Catalysis","2019","9","4","3384","","10.1021/acscatal.9b00840","","","0.71075","MoKα","","0.0372","0.0336","","","0.0733","0.0755","","","","","","1.004","","","","has coordinates","219912","2020-10-21","18:00:00",""
"4514753","7.3331","0.0004","9.8564","0.0005","25.7259","0.0012","90","","90","","90","","1859.42","0.16","297.32","0.11","297.32","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O2 -","- C22 H19 Br N2 O2 -","- C88 H76 Br4 N8 O8 -","4","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0616","0.059","","","0.1575","0.1617","","","","","","1.077","","","","has coordinates","219913","2020-10-21","18:00:00",""
"4514754","11.3963","0.0002","10.25731","0.00018","13.268","0.0002","90","","95.0958","0.0016","90","","1544.84","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N4 O2 -","- C36 H32 Cl2 N4 O2 -","- C72 H64 Cl4 N8 O4 -","2","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0597","0.0578","","","0.1513","0.1547","","","","","","1.025","","","","has coordinates","219914","2020-10-21","18:00:00",""
"4514755","17.546","0.005","6.607","0.002","17.993","0.006","90","","115.207","0.005","90","","1887.2","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","2","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.1411","0.1256","","","0.344","0.3575","","","","","","2.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4514756","9.162","0.006","10.694","0.007","22.484","0.014","90","","90","","90","","2203","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2507","0.1092","","","0.2459","0.3088","","","","","","1.129","","","","has coordinates","219916","2020-10-21","18:00:00",""
"4514757","6.556","0.002","13.237","0.004","25.625","0.008","90","","90","","90","","2223.8","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O3 S -","- C29 H21 N O3 S -","- C116 H84 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2742","0.161","","","0.3677","0.4328","","","","","","1.204","","","","has coordinates","219917","2020-10-21","18:00:00",""
"4514758","8.9405","0.0014","10.0639","0.0017","23.127","0.004","90","","90","","90","","2080.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O5 S -","- C23 H21 N O5 S -","- C92 H84 N4 O20 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.0622","0.0416","","","0.0937","0.1034","","","","","","0.953","","","","has coordinates","219918","2020-10-21","18:00:00",""
"4514759","24.679","0.002","24.679","0.002","9.5417","0.0008","90","","90","","120","","5032.8","0.7","100","","100","","","","","","","","","4","P -3","-P 3","147","","","","- C18 H16 Br2 O2 -","- C18 H16 Br2 O2 -","- C216 H192 Br24 O24 -","12","2","","Trost, Barry M.; Tracy, Jacob S.","Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols","ACS Catalysis","2019","9","2","1584","","10.1021/acscatal.8b04567","","x-ray","0.71073","MoKα","","0.0776","0.0451","","","0.069","0.0788","","","","","","1.027","","","","has coordinates","219919","2020-10-21","18:00:00",""
"4514760","8.5586","0.0002","8.9303","0.0002","9.6822","0.0002","76.723","0.001","86.703","0.001","85.126","0.001","717.08","0.03","170","2","169.99","","","","","","","","","6","P 1","P 1","1","","","","- C12.5 H16 Cl2 Co N1.5 O -","- C12 H16 Cl2 Co N2 O -","- C24 H32 Cl4 Co2 N4 O2 -","2","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0408","0.0369","","","0.0995","0.105","","","","","","0.81","","","","has coordinates","219920","2020-10-21","18:00:00",""
"4514761","9.7507","0.0002","13.413","0.0002","12.9181","0.0002","90","","90.316","0.001","90","","1689.48","0.05","170","2","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl2 Co N2 O -","- C16 H18 Cl2 Co N2 O -","- C64 H72 Cl8 Co4 N8 O4 -","4","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0333","0.0291","","","0.0599","0.0615","","","","","","0.992","","","","has coordinates","219921","2020-10-21","18:00:00",""
"4514762","25.1281","0.0009","6.268","0.0002","15.987","0.0006","90","","99.524","0.002","90","","2483.29","0.15","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.48 H29.66 Cl1.27 N O3 -","- C29.483 H29.657 Cl1.275 N O3 -","- C117.932 H118.628 Cl5.1 N4 O12 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Gnanamani, Elumalai","Tuning the Reactivity of Ketones through Unsaturation: Construction of Cyclic and Acyclic Quaternary Stereocenters via Zn-ProPhenol Catalyzed Mannich Reactions","ACS Catalysis","2019","9","2","1549","","10.1021/acscatal.8b04685","","x-ray","1.54178","CuKα","","0.043","0.0406","","","0.0989","0.1012","","","","","","1.054","","","","has coordinates,has disorder","219922","2020-10-21","18:00:00",""
"4514763","15.7797","0.0004","6.4246","0.0002","18.8309","0.0006","90","","114.711","0.002","90","","1734.23","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 O P -","- C22 H19 O P -","- C88 H76 O4 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","1.54178","CuKα","","0.0466","0.0452","","","0.1129","0.1141","","","","","","1.056","","","","has coordinates","219923","2020-10-21","18:00:00",""
"4514764","10.6041","0.0014","11.5598","0.0016","19.577","0.003","90","","94.744","0.004","90","","2391.6","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 F2 N O2 P -","- C27 H26 F2 N O2 P -","- C108 H104 F8 N4 O8 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.0618","0.0453","","","0.1044","0.1125","","","","","","1.01","","","","has coordinates","219924","2020-10-21","18:00:00",""
"4514765","9.561","0.004","9.713","0.003","20.717","0.009","90","","90","","90","","1923.9","1.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C96 H84 O12 P4 -","4","1","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.036","0.0332","","","0.0777","0.0789","","","","","","1.091","","","","has coordinates","219925","2020-10-21","18:00:00",""
"4514766","6.03","0.0002","19.3547","0.0008","9.0029","0.0003","90","","102.453","0.001","90","","1026","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A.","Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination.","ACS catalysis","2019","9","2","1558","1563","10.1021/acscatal.8b04284","","","0.71073","MoKα","","0.0296","0.0279","","","0.0653","0.0664","","","","","","1.162","","","","has coordinates","219926","2020-10-21","18:00:00",""
"4514767","5.6039","0.0007","10.7509","0.0013","19.196","0.002","90","","90","","90","","1156.5","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Zheng, Pengfei; Wang, Chengpeng; Chen, Ying-Chun; Dong, Guangbin","Pd-Catalyzed Intramolecular α-Allylic Alkylation of Ketones with Alkynes: Rapid and Stereodivergent Construction of [3.2.1] Bicycles","ACS Catalysis","2019","9","6","5515","","10.1021/acscatal.9b00997","","","0.71073","MoKα","","0.0557","0.0489","","","0.126","0.1314","","","","","","1.046","","","","has coordinates","219927","2020-10-21","18:00:00",""
"4514768","13.6599","0.0003","14.2563","0.0003","20.5882","0.0005","90","","90","","90","","4009.34","0.16","150","0.3","150","0.3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7DiPPZn(H)(THF) NTf2","","- C35 H51 F6 N3 O5 S2 Zn -","- C35 H51 F6 N3 O5 S2 Zn -","- C140 H204 F24 N12 O20 S8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0837","0.0625","","","0.1538","0.1787","","","","","","1.07","","","","has coordinates,has disorder","219928","2020-10-21","18:00:00",""
"4514769","19.3499","0.0009","20.6938","0.0007","20.4521","0.001","90","","105.975","0.005","90","","7873.2","0.6","150","0.3","150","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","7DiPPZnPhNTf2","","- C37 H47 F6 N3 O4 S2 Zn -","- C37 H47 F6 N3 O4 S2 Zn -","- C296 H376 F48 N24 O32 S16 Zn8 -","8","2","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0935","0.0514","","","0.1181","0.1419","","","","","","1.028","","","","has coordinates","219929","2020-10-21","18:00:00",""
"4514770","10.0474","0.0006","16.5268","0.0015","16.5479","0.0014","117.002","0.009","106.69","0.006","94.539","0.006","2273.4","0.4","150","0.3","150","0.3","","","","","","","","8","P -1","-P 1","2","","[(7DiPP)Zn(H)NTf2]","","- C26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67 -","- C26.6667 H32.6667 Cl2 F4 N2 O2.66667 S1.33333 Zn0.666667 -","- C80 H98 Cl6 F12 N6 O8 S4 Zn2 -","3","1.5","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.1204","0.0699","","","0.1601","0.1735","","","","","","0.942","","","","has coordinates,has disorder","219930","2020-10-21","18:00:00",""
"4514771","19.3717","0.001","16.9243","0.0007","27.5305","0.0016","90","","101.738","0.005","90","","8837.2","0.8","150","0.4","150","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 Zn -","- C47 H56 N2 Zn -","- C376 H448 N16 Zn8 -","8","2","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.1434","0.0631","","","0.1132","0.1432","","","","","","0.945","","","","has coordinates","219931","2020-10-21","18:00:00",""
"4514772","12.9149","0.0009","19.5194","0.0006","19.2829","0.0013","90","","133.379","0.012","90","","3533.1","0.8","150.03","0.1","150.03","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl2 N2 O1.5 Zn -","- C35 H54 Cl2 N2 O1.5 Zn -","- C140 H216 Cl8 N8 O6 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.0736","0.0467","","","0.0894","0.1012","","","","","","1.035","","","","has coordinates,has disorder","219932","2020-10-21","18:00:00",""
"4514773","20.3293","0.0008","9.7719","0.0004","18.4536","0.0008","90","","106.688","0.005","90","","3511.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(7DiPP)ZnPh2]","","- C41 H52 N2 Zn -","- C41 H52 N2 Zn -","- C164 H208 N8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.0656","0.0415","","","0.0795","0.0886","","","","","","1.021","","","","has coordinates","219933","2020-10-21","18:00:00",""
"4514774","11.9544","0.0004","13.4764","0.0005","15.7416","0.0005","95.505","0.003","100.925","0.003","110.249","0.003","2299.96","0.15","149.9","0.3","149.9","0.3","","","","","","","","7","P -1","-P 1","2","","[IDiPPZnPh(THF)2][NTf2]","","- C43 H57 F6 N3 O6 S2 Zn -","- C43 H57 F6 N3 O6 S2 Zn -","- C86 H114 F12 N6 O12 S4 Zn2 -","2","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.079","0.0542","","","0.118","0.1343","","","","","","1.032","","","","has coordinates,has disorder","219934","2020-10-21","18:00:00",""
"4514775","9.663","0.0002","9.7186","0.0002","31.0442","0.0007","90","","90","","90","","2915.39","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko","Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes","ACS Catalysis","2019","9","6","5638","","10.1021/acscatal.9b00655","","","1.54178","CuKα","","0.0296","0.0295","","","0.0742","0.0743","","","","","","1.06","","","","has coordinates","219935","2020-10-21","18:00:00",""
"4514776","13.6131","0.0004","35.785","0.0011","9.9738","0.0003","90","","90","","90","","4858.7","0.3","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H25 O3 P S -","- C27 H25 O3 P S -","- C216 H200 O24 P8 S8 -","8","2","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.0477","0.0377","","","0.0924","0.0993","","","","","","1.039","","","","has coordinates","219936","2020-10-21","18:00:00",""
"4514777","12.1386","0.0012","16.1932","0.0015","15.8018","0.0015","90","","97.546","0.005","90","","3079.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 Dy F9 N4 O17 S3 -","- C46 H76 Dy F9 N4 O17 S3 -","- C92 H152 Dy2 F18 N8 O34 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.056","0.0514","","","0.1334","0.1434","","","","","","1.013","","","","has coordinates","219937","2020-10-21","18:00:00",""
"4514778","12.1823","0.0013","16.5445","0.0019","16.408","0.0019","90","","101.368","0.004","90","","3242.2","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H84 F9 N4 O18 Pr S3 -","- C51 H84 F9 N4 O18 Pr S3 -","- C102 H168 F18 N8 O36 Pr2 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0465","0.0427","","","0.1113","0.1141","","","","","","1.071","","","","has coordinates","219938","2020-10-21","18:00:00",""
"4514779","15.6161","0.0016","19.6361","0.0019","21.6999","0.0019","90","","90","","90","","6654","1.1","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H82 F9 N4 O15 S3 Tm -","- C53 H82 F9 N4 O15 S3 Tm -","- C212 H328 F36 N16 O60 S12 Tm4 -","4","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0989","0.0674","","","0.1571","0.1817","","","","","","0.977","","","","has coordinates","219939","2020-10-21","18:00:00",""
"4514780","9.9449","0.0002","17.1268","0.0004","19.9556","0.0004","90","","90","","90","","3398.92","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 O P2 -","- C44 H40 O P2 -","- C176 H160 O4 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.05","0.0381","","","0.085","0.0895","","","","","","1.04","","","","has coordinates","219940","2020-10-21","18:00:00",""
"4514781","7.0791","0.0002","7.2172","0.0002","16.4881","0.0006","85.775","0.003","87.502","0.003","64.437","0.003","757.81","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C17 H11 Cr F O5 -","- C17 H11 Cr F O5 -","- C34 H22 Cr2 F2 O10 -","2","2","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1277","0.1284","","","","","","1.04","","","","has coordinates,has disorder","219941","2020-10-21","18:00:00",""
"4514782","11.209","0.008","13.582","0.007","13.728","0.008","60.753","0.017","79.38","0.02","76.89","0.02","1769.4","1.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 N4 O -","- C43 H32 Cl2 N4 O -","- C86 H64 Cl4 N8 O2 -","2","1","","Takamatsu, Kazutaka; Hayashi, Yoshihiro; Kawauchi, Susumu; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regioselective C‒H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary","ACS Catalysis","2019","9","6","5336","","10.1021/acscatal.9b01145","","","0.71075","MoKα","","0.0941","0.0648","","","0.179","0.2029","","","","","","0.959","","","","has coordinates","219942","2020-10-21","18:00:00",""
"4514783","10.628","0.0004","11.4207","0.0004","12.9524","0.0005","65.936","0.002","85.626","0.002","72.954","0.002","1370.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N O2 S -","- C31 H31 N O2 S -","- C62 H62 N2 O4 S2 -","2","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.1193","0.0866","","","0.2621","0.2984","","","","","","1.006","","","","has coordinates","219943","2020-10-21","18:00:00",""
"4514784","14.0088","0.0003","9.652","0.0002","19.0811","0.0004","90","","109.714","0.001","90","","2428.79","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.0536","0.041","","","0.1071","0.1156","","","","","","1.033","","","","has coordinates","219944","2020-10-21","18:00:00",""
"4514785","9.7201","0.0004","26.2838","0.001","5.4483","0.0002","90","","90","","90","","1391.94","0.09","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0598","0.0495","","","0.1244","0.1435","","","","","","1.114","","","","has coordinates","219945","2020-10-21","18:00:00",""
"4514786","7.5559","0.0005","13.9087","0.0012","11.4271","0.0007","90","","90","","90","","1200.91","0.15","173","0.1","173","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.1727","0.1656","","","0.3673","0.394","","","","","","1.791","","","","has coordinates","219946","2020-10-21","18:00:00",""
"4514787","7.8048","0.0003","5.9454","0.0003","13.2408","0.0005","90","","92.593","0.004","90","","613.78","0.05","172.98","0.1","172.98","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N -","- C8 H6 N -","- C32 H24 N4 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0648","0.0523","","","0.1393","0.1581","","","","","","1.055","","","","has coordinates","219947","2020-10-21","18:00:00",""
"4514788","7.262","0.0002","7.262","","41.516","0.001","90","","90","","90","","2189.41","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C88 H88 F24 O16 -","8","1","","Kerdphon, Sutthichat; Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Eriksson, Lars; Andersson, Pher G.","Diastereo- and Enantioselective Synthesis of Structurally Diverse Succinate, Butyrolactone, and Trifluoromethyl Derivatives by Iridium-Catalyzed Hydrogenation of Tetrasubstituted Olefins","ACS Catalysis","2019","9","7","6169","","10.1021/acscatal.9b01508","","","1.54184","CuKα","","0.0285","0.0281","","","0.0777","0.078","","","","","","1.11","","","","has coordinates","219948","2020-10-21","18:00:00",""
"4514789","8.98144","0.00012","9.10592","0.00011","35.9259","0.0004","90","","90","","90","","2938.17","0.06","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0351","0.0336","","","0.0932","0.0943","","","","","","1.029","","","","has coordinates","219949","2020-10-21","18:00:00",""
"4514790","9.3678","0.0001","6.9408","0.0001","11.2829","0.0001","90","","93.95","0.001","90","","731.872","0.015","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0746","0.0747","","","","","","1.047","","","","has coordinates","219950","2020-10-21","18:00:00",""
"4514791","14.0443","0.0003","8.9519","0.0002","34.5515","0.0011","90","","90","","90","","4343.92","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","25 in manuscript","","","- C25 H22 I O P -","- C25 H22 I O P -","- C200 H176 I8 O8 P8 -","8","2","","Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Reductive C‒C Coupling by Desulfurizing Gold-Catalyzed Photoreactions","ACS Catalysis","2019","9","7","6118","","10.1021/acscatal.9b01368","","","1.54178","CuKα","","0.0508","0.0491","","","0.1343","0.1369","","","","","","1.033","","","","has coordinates","219951","2020-10-21","18:00:00",""
"4514792","20.1074","0.0019","16.9145","0.0016","25.426","0.002","90","","108.024","0.001","90","","8223.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 B2 Fe N12 -","- C40 H48 B2 Fe N12 -","- C320 H384 B16 Fe8 N96 -","8","1","","Isbill, Sara B.; Chandrachud, Preeti P.; Kern, Jesse L.; Jenkins, David M.; Roy, Sharani","Elucidation of the Reaction Mechanism of C<sub>2</sub> + N<sub>1</sub> Aziridination from Tetracarbene Iron Catalysts.","ACS catalysis","2019","9","7","6223","6233","10.1021/acscatal.9b01306","","","0.71073","MoKα","","0.0699","0.0577","","","0.2005","0.2069","","","","","","1.539","","","","has coordinates","219952","2020-10-21","18:00:00",""
"4514793","8.81332","0.00015","15.7101","0.0003","17.1127","0.0002","90","","102.781","0.0014","90","","2310.68","0.07","292","1","292","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Cl Ir N O -","- C24 H31 Cl Ir N O -","- C96 H124 Cl4 Ir4 N4 O4 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.0596","0.0549","","","0.1414","0.1483","","","","","","1.053","","","","has coordinates","219953","2020-10-21","18:00:00",""
"4514794","11.5179","0.0003","13.5428","0.0006","18.483","0.0006","76.588","0.003","87.879","0.002","89.094","0.003","2802.44","0.17","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Ir N O2 -","- C32 H36 Ir N O2 -","- C128 H144 Ir4 N4 O8 -","4","2","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","0.71073","MoKα","","0.0541","0.0358","","","0.0669","0.0756","","","","","","1.035","","","","has coordinates","219954","2020-10-21","18:00:00",""
"4514795","10.7285","0.0002","17.9511","0.0007","18.0222","0.0006","90","","90","","90","","3470.87","0.19","296.31","0.1","296.31","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O S -","- C19 H21 N O S -","- C152 H168 N8 O8 S8 -","8","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.1103","0.0865","","","0.2504","0.2749","","","","","","1.063","","","","has coordinates","219955","2020-10-21","18:00:00",""
"4514796","7.1896","0.0002","13.9891","0.0006","17.894","0.0007","90","","90","","90","","1799.71","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","","1.54184","CuKα","","0.061","0.0582","","","0.1542","0.1603","","","","","","1.047","","","","has coordinates","219956","2020-10-21","18:00:00",""
"4514797","10.6545","0.0005","10.6545","0.0005","15.1128","0.0007","90","","90","","90","","1715.58","0.14","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0348","0.0309","","","0.0692","0.0717","","","","","","1.039","","","","has coordinates","219957","2020-10-21","18:00:00",""
"4514798","5.6073","0.0001","16.7309","0.0005","16.9207","0.0006","90","","90","","90","","1587.42","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0401","0.033","","","0.0707","0.0749","","","","","","1.088","","","","has coordinates","219958","2020-10-21","18:00:00",""
"4514799","10.4266","0.0017","18.053","0.003","19.734","0.002","90","","90","","90","","3714.6","0.9","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C192 H176 N16 O8 -","8","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.1224","0.0584","","","0.1211","0.1541","","","","","","1.017","","","","has coordinates","219959","2020-10-21","18:00:00",""
"4514800","8.7098","0.0006","8.9173","0.0005","13.0467","0.0009","90","","93.444","0.002","90","","1011.48","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0829","0.0774","","","0.2062","0.2117","","","","","","1.037","","","","has coordinates","219961","2020-10-21","18:00:00",""
"4514801","9.859","0.002","10.008","0.002","15.838","0.004","93.054","0.007","90.75","0.006","99.872","0.006","1537","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0846","0.0438","","","0.0984","0.1275","","","","","","1.118","","","","has coordinates","219962","2020-10-21","18:00:00",""
"4514802","6.5399","0.0001","23.9124","0.0003","9.103","0.0001","90","","102.293","0.001","90","","1390.93","0.03","294.15","","294.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0471","0.0446","","","0.1313","0.1339","","","","","","1.063","","","","has coordinates","219963","2020-10-21","18:00:00",""
"4514803","9.0322","0.0001","9.0322","0.0001","68.9818","0.0006","90","","90","","90","","5627.58","0.1","294.15","","294.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C240 H288 B8 N24 O24 -","8","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0617","0.0584","","","0.1624","0.1657","","","","","","1.033","","","","has coordinates,has disorder","219964","2020-10-21","18:00:00",""
"4514804","12.8072","0.0005","13.6963","0.0004","17.6483","0.0006","90","","110.451","0.004","90","","2900.59","0.19","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O S2 -","- C34 H36 O S2 -","- C136 H144 O4 S8 -","4","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.067","0.0614","","","0.1629","0.1712","","","","","","1.034","","","","has coordinates","219965","2020-10-21","18:00:00",""
"4514805","7.9503","0.0008","8.3038","0.0008","12.6012","0.0011","78.352","0.008","79.15","0.008","72.944","0.009","771.51","0.13","295.9","0.6","295.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 S2 -","- C19 H14 S2 -","- C38 H28 S4 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0733","0.0688","","","0.1976","0.2061","","","","","","1.058","","","","has coordinates,has disorder","219966","2020-10-21","18:00:00",""
"4514806","16.653","0.0004","5.92231","0.00013","33.4022","0.0009","90","","104.977","0.003","90","","3182.36","0.14","291.3","0.8","291.3","0.8","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 O S2 -","- C19 H14 O S2 -","- C152 H112 O8 S16 -","8","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0703","0.0671","","","0.1765","0.1798","","","","","","1.14","","","","has coordinates","219967","2020-10-21","18:00:00",""
"4514807","7.74658","0.00018","14.0941","0.0003","9.1196","0.0002","90","","108.015","0.003","90","","946.87","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl Rh S -","- C21 H24 Cl Rh S -","- C42 H48 Cl2 Rh2 S2 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0512","0.0508","","","0.1311","0.1319","","","","","","1.034","","","","has coordinates","219968","2020-10-21","18:00:00",""
"4514808","3.95493","0.00011","12.7072","0.0003","25.5848","0.0007","90","","91.496","0.002","90","","1285.35","0.06","295.49","0.18","295.49","0.18","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0626","0.0575","","","0.1491","0.1547","","","","","","1.076","","","","has coordinates","219969","2020-10-21","18:00:00",""
"4514809","11.208","0.0012","13.909","0.003","19.199","0.003","69.17","0.05","83.14","0.02","71.15","0.03","2647.3","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Moris569 (Sayantani)","","","- C42 H78 N6 O Si6 Th -","- C42 H78 N6 O Si6 Th -","- C84 H156 N12 O2 Si12 Th2 -","2","1","","Saha, Sayantani; Eisen, Moris S.","Catalytic Recycling of a Th‒H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles","ACS Catalysis","2019","9","7","5947","","10.1021/acscatal.9b01399","","","0.71073","MoKα","","0.0333","0.0273","","","0.0623","0.064","","","","","","1.06","","","","has coordinates","219970","2020-10-21","18:00:00",""
"4514810","9.946","0.002","9.088","0.002","10.222","0.002","90","","102.351","0.003","90","","902.6","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F2 O2 -","- C10 H10 F2 O2 -","- C40 H40 F8 O8 -","4","1","","Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow","ACS Catalysis","2019","9","7","6555","","10.1021/acscatal.9b01312","","","0.71073","MoKα","","0.0363","0.0321","","","0.0856","0.0882","","","","","","1.05","","","","has coordinates","219971","2020-10-21","18:00:00",""
"4514811","25.8841","0.001","7.333","0.0002","6.343","0.0002","90","","90","","90","","1203.95","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0394","0.0343","","","0.0776","0.0804","","","","","","1.044","","","","has coordinates","219972","2020-10-21","18:00:00",""
"4514812","5.5974","0.0005","16.9126","0.0019","19.3211","0.0017","90","","90.056","0.007","90","","1829.1","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","2","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0921","0.0544","","","0.1143","0.1299","","","","","","0.939","","","","has coordinates","219973","2020-10-21","18:00:00",""
"4514813","17.0655","0.0002","17.2352","0.0004","23.1949","0.0003","90","","95.16","0.001","90","","6794.6","0.2","99.99","0.13","99.99","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H84 F3 O31 P4 S Yb2 -","- C93 H84 F3 O31 P4 S Yb2 -","- C186 H168 F6 O62 P8 S2 Yb4 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","0.71073","MoKα","","0.0732","0.0595","","","0.1599","0.1694","","","","","","1.078","","","","has coordinates","219974","2020-10-21","18:00:00",""
"4514814","5.78428","0.00003","12.07053","0.00005","25.84988","0.0001","90","","90","","90","","1804.82","0.014","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","1.54184","CuKα","","0.0232","0.0229","","","0.0592","0.0594","","","","","","1.053","","","","has coordinates","219975","2020-10-21","18:00:00",""
"4514815","15.7548","0.0002","8.5218","0.0001","17.5186","0.0002","90","","91.195","0.001","90","","2351.52","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 B F15 N O -","- C25 H9 B F15 N O -","- C100 H36 B4 F60 N4 O4 -","4","1","","Meng, Shan-Shui; Tang, Xiaowen; Luo, Xiang; Wu, Ruibo; Zhao, Jun-Ling; Chan, Albert S. C.","Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols","ACS Catalysis","2019","9","9","8397","","10.1021/acscatal.9b03038","","","1.54184","CuKα","","0.0354","0.0324","","","0.0833","0.0859","","","","","","1.06","","","","has coordinates","219976","2020-10-21","18:00:00",""
"4514816","11.7663","0.0002","12.5195","0.0002","15.6679","0.0001","101.971","0.001","95.869","0.001","117.925","0.002","1941.11","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H55 Au N O2 P -","- C44 H55 Au N O2 P -","- C88 H110 Au2 N2 O4 P2 -","2","1","","Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.","Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates","ACS Catalysis","2019","9","9","7862","","10.1021/acscatal.9b02275","","x-ray","0.71073","MoKα","","0.0325","0.0278","","","0.0569","0.0591","","","","","","1.035","","","","has coordinates","219977","2020-10-21","18:00:00",""
"4514817","12.35599","0.00018","11.5441","0.00018","17.5685","0.0003","90","","98.0363","0.0014","90","","2481.34","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Au N O2 P -","- C30 H25 Au N O2 P -","- C120 H100 Au4 N4 O8 P4 -","4","1","","Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.","Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates","ACS Catalysis","2019","9","9","7862","","10.1021/acscatal.9b02275","","x-ray","0.71073","MoKα","","0.0354","0.0299","","","0.0651","0.0691","","","","","","1.063","","","","has coordinates","219978","2020-10-21","18:00:00",""
"4514818","8.803","0.002","5.4591","0.0011","15.567","0.005","90","","104.94","0.02","90","","722.8","0.3","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O -","- C19 H20 O -","- C38 H40 O2 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","","1.54178","CuKα","","0.0562","0.0506","","","0.1385","0.1466","","","","","","1.182","","","","has coordinates","219979","2020-10-21","18:00:00",""
"4514819","9.7213","0.00019","9.12937","0.00016","12.1367","0.0003","90","","102.827","0.002","90","","1050.24","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dioxoisoindolin-2-yl (1R,2S)-2-(4-chlorophenyl)-1-phenylcyclopropane-1-carboxylate","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C48 H32 Br2 N2 O8 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","x-ray","1.54184","CuKα","","0.0572","0.048","","","0.1226","0.1396","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4514820","39.582","0.003","6.6842","0.0005","13.9095","0.0008","90","","97.656","0.002","90","","3647.3","0.4","99.95","","99.95","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 N3 O -","- C25 H15 N3 O -","- C200 H120 N24 O8 -","8","1","","Tian, Cong; Dhawa, Uttam; Scheremetjew, Alexej; Ackermann, Lutz","Cupraelectro-Catalyzed Alkyne Annulation: Evidence for Distinct C‒H Alkynylation and Decarboxylative C‒H/C‒C Manifolds","ACS Catalysis","2019","9","9","7690","","10.1021/acscatal.9b02348","","","0.71073","MoKα","","0.0479","0.041","","","0.1015","0.109","","","","","","1.042","","","","has coordinates","219981","2020-10-21","18:00:00",""
"4514821","10.9605","0.0011","9.5967","0.001","11.9487","0.0013","90","","93.832","0.005","90","","1254","0.2","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1319","0.129","","","0.2936","0.3018","","","","","","1.394","","","","has coordinates","219982","2020-10-21","18:00:00",""
"4514822","23.054","0.002","8.4318","0.0009","7.3235","0.0007","90","","90","","90","","1423.6","0.2","253","2","253","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1097","0.1012","","","0.2707","0.2796","","","","","","1.041","","","","has coordinates","219983","2020-10-21","18:00:00",""
"4514823","12.827","0.002","20.383","0.003","5.0473","0.0008","90","","96.027","0.009","90","","1312.3","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1428","0.1184","","","0.2991","0.3188","","","","","","1.114","","","","has coordinates,has disorder","219984","2020-10-21","18:00:00",""
"4514824","31.2814","0.0016","6.1424","0.0004","15.8248","0.0009","90","","111.709","0.003","90","","2825","0.3","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.0875","0.0795","","","0.2191","0.2344","","","","","","1.055","","","","has coordinates,has disorder","219985","2020-10-21","18:00:00",""
"4514825","23.1742","0.0003","9.9101","0.0001","9.2756","0.0001","90","","90","","90","","2130.22","0.04","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl Cu N3 O4 -","- C19 H28 Cl Cu N3 O4 -","- C76 H112 Cl4 Cu4 N12 O16 -","4","1","","Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai","Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes.","ACS catalysis","2019","9","9","7746","7758","10.1021/acscatal.9b01520","","","1.54184","CuKα","","0.0437","0.0434","","","0.1224","0.1228","","","","","","1.051","","","","has coordinates","219986","2020-10-21","18:00:00",""
"4514826","20.5401","0.0017","12.5368","0.001","16.2915","0.0013","90","","100.551","0.001","90","","4124.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Ir N4 -","- C50 H52 Ir N4 -","- C200 H208 Ir4 N16 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0269","0.0212","","","0.0482","0.0504","","","","","","1.022","","","","has coordinates","219987","2020-10-21","18:00:00",""
"4514827","10.1805","0.0007","13.1835","0.0009","14.4356","0.001","85.2561","0.001","69.5849","0.0009","77.2239","0.0009","1770.8","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H42 Ir N6 -","- C43 H42 Ir N6 -","- C86 H84 Ir2 N12 -","2","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.024","0.0219","","","0.0533","0.0546","","","","","","1.028","","","","has coordinates","219988","2020-10-21","18:00:00",""
"4514828","14.476","0.002","14.367","0.002","34.464","0.006","90","","101.797","0.002","90","","7016.3","1.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Ir N6 -","- C41 H36 Ir N6 -","- C328 H288 Ir8 N48 -","8","2","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0679","0.0503","","","0.1129","0.1244","","","","","","1.047","","","","has coordinates","219989","2020-10-21","18:00:00",""
"4514829","11.3918","0.001","14.4386","0.0012","20.4434","0.0018","90","","99.64","0.001","90","","3315.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Ir N4 -","- C39 H45 Ir N4 -","- C156 H180 Ir4 N16 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0231","0.0173","","","0.0347","0.0365","","","","","","1.066","","","","has coordinates","219990","2020-10-21","18:00:00",""
"4514830","17.6455","0.0016","12.6291","0.0011","20.6034","0.0018","90","","111.016","0.002","90","","4286","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H55 Ir N6 -","- C49 H55 Ir N6 -","- C196 H220 Ir4 N24 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0274","0.0223","","","0.0508","0.0532","","","","","","1.094","","","","has coordinates","219991","2020-10-21","18:00:00",""
"4514831","8.3707","0.0003","11.4502","0.0004","14.6387","0.0005","90","","90","","90","","1403.06","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 N3 O3 S -","- C11 H23 N3 O3 S -","- C44 H92 N12 O12 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.032","0.0292","","","0.0719","0.0733","","","","","","1.067","","","","has coordinates","219992","2020-10-21","18:00:00",""
"4514832","17.0285","0.0007","6.9101","0.0003","21.3006","0.0009","90","","90","","90","","2506.41","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C96 H144 N16 O16 S8 -","8","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.0326","0.0304","","","0.0862","0.0874","","","","","","1.056","","","","has coordinates","219993","2020-10-21","18:00:00",""
"4514833","7.0841","0.0002","14.1779","0.0005","15.2277","0.0007","98.32","0.003","100.672","0.003","103.356","0.003","1433.94","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H47 N3 O6 S -","- C29 H47 N3 O6 S -","- C58 H94 N6 O12 S2 -","2","2","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.7107","MoKα","","0.0555","0.0437","","","0.1018","0.1047","","","","","","0.97","","","","has coordinates","219994","2020-10-21","18:00:00",""
"4514834","10.2981","0.0014","7.0578","0.0009","21.651","0.003","90","","94.024","0.004","90","","1569.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71073","MoKα","","0.0566","0.0417","","","0.1051","0.1135","","","","","","1.046","","","","has coordinates","219995","2020-10-21","18:00:00",""
"4514835","15.2153","0.0013","14.9228","0.0013","18.7632","0.0015","90","","90","","90","","4260.3","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C160 H240 Cl8 N24 O24 S8 -","8","1","","Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis","ACS Catalysis","2019","9","9","8083","","10.1021/acscatal.9b01959","","","0.71073","MoKα","","0.042","0.0365","","","0.0976","0.102","","","","","","1.029","","","","has coordinates","219996","2020-10-21","18:00:00",""
"4514836","13.6328","0.0005","9.7259","0.0004","19.2323","0.0007","90","","94.976","0.003","90","","2540.42","0.17","295.16","0.1","295.16","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0635","0.0602","","","0.1612","0.1655","","","","","","1.042","","","","has coordinates","219997","2020-10-21","18:00:00",""
"4514837","37.0525","0.0008","12.0473","0.0003","10.4128","0.0002","90","","90.415","0.002","90","","4647.97","0.18","297.2","0.3","297.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C216 H216 N8 O32 S8 -","8","2","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0781","0.0603","","","0.1628","0.1779","","","","","","1.034","","","","has coordinates","219998","2020-10-21","18:00:00",""
"4514838","18.0757","0.0007","14.6438","0.0006","7.2015","0.0003","90","","101.012","0.004","90","","1871.12","0.13","294.9","0.6","294.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0658","0.0606","","","0.1603","0.1698","","","","","","1.057","","","","has coordinates","219999","2020-10-21","18:00:00",""
"4514839","10.4319","0.0004","14.2343","0.0005","29.1953","0.0012","90","","90","","90","","4335.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 B N O4 S -","- C21 H26 B N O4 S -","- C168 H208 B8 N8 O32 S8 -","8","2","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0788","0.0463","","","0.0935","0.1056","","","","","","1.039","","","","has coordinates,has disorder","220000","2020-10-21","18:00:00",""
"4514840","9.9417","0.0007","9.9417","0.0007","18.9939","0.0014","90","","90","","120","","1625.8","0.2","173","2","173","2","","","","","","","","6","P 31","P 31","144","","","","- C21 H26 B N O5 S -","- C21 H26 B N O5 S -","- C63 H78 B3 N3 O15 S3 -","3","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.1493","0.0588","","","0.1109","0.1359","","","","","","1.036","","","","has coordinates,has disorder","220001","2020-10-21","18:00:00",""
"4514841","9.2674","0.0005","10.7476","0.0007","28.5667","0.0016","90","","90","","90","","2845.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 B F3 N2 O6 S -","- C23 H36 B F3 N2 O6 S -","- C92 H144 B4 F12 N8 O24 S4 -","4","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0816","0.0493","","","0.0983","0.1112","","","","","","1.041","","","","has coordinates,has disorder","220002","2020-10-21","18:00:00",""
"4514842","9.999","0.002","11.964","0.002","19.292","0.004","83.01","0.03","85.8","0.03","82.27","0.03","2266.1","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H65 K N3 Si6 Y -","- C31 H65 K N3 Si6 Y -","- C62 H130 K2 N6 Si12 Y2 -","2","1","","Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao","Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation","ACS Catalysis","2019","9","9","8766","","10.1021/acscatal.9b02899","","","0.71073","MoKα","","0.0686","0.0492","","","0.1133","0.1239","","","","","","1.009","","","","has coordinates,has disorder","220003","2020-10-21","18:00:00",""
"4514843","11.344","0.002","11.734","0.002","31.997","0.006","90","","92.915","0.004","90","","4253.6","1.3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H69 K N3 O Si6 Y -","- C29 H69 K N3 O Si6 Y -","- C116 H276 K4 N12 O4 Si24 Y4 -","4","1","","Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao","Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation","ACS Catalysis","2019","9","9","8766","","10.1021/acscatal.9b02899","","","0.71073","MoKα","","0.1075","0.0909","","","0.3137","0.325","","","","","","1.037","","","","has coordinates","220004","2020-10-21","18:00:00",""
"4514844","15.336","0.001","10.1947","0.0007","24.0955","0.0013","90","","98.408","0.002","90","","3726.7","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 F6 N2 O4 Pd S4 -","- C38 H30 F6 N2 O4 Pd S4 -","- C152 H120 F24 N8 O16 Pd4 S16 -","4","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0805","0.0674","","","0.1369","0.1418","","","","","","1.361","","","","has coordinates","220005","2020-10-21","18:00:00",""
"4514845","9.0381","0.0009","10.3207","0.0012","10.3832","0.0011","68.768","0.003","89.673","0.005","88.327","0.003","902.4","0.17","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","","0.71073","MoKα","","0.0369","0.0317","","","0.0773","0.0825","","","","","","1.052","","","","has coordinates,has disorder","220006","2020-10-21","18:00:00",""
"4514846","32.753","0.003","4.888","0.0004","23.981","0.002","90","","124.967","0.008","90","","3146.2","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 S2 -","- C17 H15 N O2 S2 -","- C136 H120 N8 O16 S16 -","8","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0548","0.0439","","","0.1151","0.122","","","","","","1.051","","","","has coordinates","220007","2020-10-21","18:00:00",""
"4514847","8.6349","0.0006","9.3163","0.0004","13.5605","0.0009","70.251","0.005","85.755","0.005","83.165","0.005","1018.75","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S2 -","- C22 H23 N O2 S2 -","- C44 H46 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0943","0.0757","","","0.1763","0.1909","","","","","","1.044","","","","has coordinates,has disorder","220008","2020-10-21","18:00:00",""
"4514848","19.271","0.005","4.5166","0.0009","23.345","0.007","90","","107.803","0.009","90","","1934.6","0.9","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0836","0.0511","","","0.1209","0.1394","","","","","","1.004","","","","has coordinates","220009","2020-10-21","18:00:00",""
"4514849","15.796","","15.246","","9.849","","90","","105.81","","90","","2282.17","","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C96 H92 N4 O16 S8 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54184","CuKα","","0.0631","0.0471","","","0.118","0.13","","","","","","1.016","","","","has coordinates,has disorder","220010","2020-10-21","18:00:00",""
"4514850","9.7261","0.0018","10.89","0.002","11.528","0.002","65.75","0.006","69.528","0.006","86.877","0.007","1037.3","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C46 H52 O12 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0484","0.0387","","","0.0937","0.0993","","","","","","1.032","","","","has coordinates","220011","2020-10-21","18:00:00",""
"4514851","10.584","0.002","4.346","0.0012","40.473","0.008","90","","95.273","0.009","90","","1853.8","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N S2 -","- C23 H19 N S2 -","- C92 H76 N4 S8 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.1292","0.0996","","","0.2305","0.2467","","","","","","1.046","","","","has coordinates,has disorder","220012","2020-10-21","18:00:00",""
"4514852","7.0055","0.0002","10.2801","0.0003","13.131","0.0003","79.22","0.002","84.888","0.002","80.238","0.002","913.91","0.04","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F N O2 S2 -","- C20 H18 F N O2 S2 -","- C40 H36 F2 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.041","0.0371","","","0.0969","0.1009","","","","","","1.043","","","","has coordinates","220013","2020-10-21","18:00:00",""
"4514853","11.2","0.002","5.0559","0.0009","11.554","0.002","90","","115.351","0.005","90","","591.25","0.18","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O10 -","- C24 H32 O10 -","- C24 H32 O10 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0439","0.034","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","220014","2020-10-21","18:00:00",""
"4514854","8.4844","0.0007","12.3314","0.0009","12.7997","0.0011","112.337","0.006","94.171","0.005","98.558","0.006","1212.59","0.18","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O4 S2 -","- C28 H25 N O4 S2 -","- C56 H50 N2 O8 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0597","0.0515","","","0.1293","0.1403","","","","","","1.046","","","","has coordinates","220015","2020-10-21","18:00:00",""
"4514855","6.5696","0.0001","10.4589","0.0002","13.1664","0.0003","79.911","0.001","84.189","0.001","81.356","0.001","877.96","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Cl N O2 S2 -","- C19 H16 Cl N O2 S2 -","- C38 H32 Cl2 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0295","0.0279","","","0.0736","0.0751","","","","","","1.042","","","","has coordinates","220016","2020-10-21","18:00:00",""
"4514856","6.9999","0.0012","10.6761","0.0015","27.063","0.003","90","","92.75","0.01","90","","2020.1","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 S3 -","- C23 H19 N O2 S3 -","- C92 H76 N4 O8 S12 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.09","0.0584","","","0.1444","0.1621","","","","","","1.032","","","","has coordinates,has disorder","220017","2020-10-21","18:00:00",""
"4514857","11.03","0.004","5.7133","0.0018","14.591","0.005","90","","92.925","0.009","90","","918.3","0.5","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2-((Anthracen-9-ylmethyl)amino)-2-(4-bromophenyl)acetonitrile","","","- C23 H17 Br N2 -","- C23 H17 Br N2 -","- C46 H34 Br2 N4 -","2","1","","Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions","ACS Catalysis","2019","9","9","8178","","10.1021/acscatal.9b02739","","","0.71075","MoKα","","0.0884","0.0694","","","0.1556","0.1599","","","","","","0.809","","","","has coordinates","220018","2020-10-21","18:00:00",""
"4514858","8.2877","0.0017","14.334","0.003","14.903","0.003","90","","103.09","0.03","90","","1724.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang","Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration","ACS Catalysis","2019","9","3","2610","","10.1021/acscatal.8b04934","","","0.71073","MoKα","","0.0498","0.0387","","","0.1051","0.1131","","","","","","1.06","","","","has coordinates","220019","2020-10-21","18:00:00",""
"4514859","7.5531","0.0015","28.802","0.006","8.5314","0.0017","90","","113.57","0.03","90","","1701.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 S -","- C17 H19 N O6 S -","- C68 H76 N4 O24 S4 -","4","1","","Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang","Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration","ACS Catalysis","2019","9","3","2610","","10.1021/acscatal.8b04934","","","0.71073","MoKα","","0.0573","0.0468","","","0.1165","0.1232","","","","","","1.084","","","","has coordinates","220020","2020-10-21","18:00:00",""
"4514860","8.8149","0.0005","10.4274","0.0007","12.2762","0.0008","74.663","0.002","83.855","0.002","77.212","0.002","1059.8","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 I N2 O2 Ru -","- C22 H25 I N4 Ru -","- C44 H50 I2 N8 Ru2 -","2","1","","Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta","Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy","ACS Catalysis","2019","9","3","2164","","10.1021/acscatal.8b04430","","","0.71073","MoKα","","0.046","0.029","","","0.0921","0.108","","","","","","0.788","","","","has coordinates","220021","2020-10-21","18:00:00",""
"4514861","8.6566","0.0005","11.3426","0.0005","16.584","0.0009","89.235","0.003","77.991","0.002","89.031","0.002","1592.41","0.14","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","4","","Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua","Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C‒N Coupling","ACS Catalysis","2019","9","3","2286","","10.1021/acscatal.8b04789","","","0.71073","MoKα","","0.0583","0.0445","","","0.086","0.0932","","","","","","1.022","","","","has coordinates,has disorder","220022","2020-10-21","18:00:00",""
"4514862","13.969","0.0005","27.1371","0.0007","6.25424","0.00018","90","","99.738","0.003","90","","2336.69","0.12","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","1","","Wu, Xiao; Chen, Chentuo; Guo, Ziyang; North, Michael; Whitwood, Adrian C.","Metal- and Halide-Free Catalyst for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide","ACS Catalysis","2019","9","3","1895","","10.1021/acscatal.8b04387","","x-ray","1.54184","CuKα","","0.0504","0.0388","","","0.0942","0.1024","","","","","","1.026","","","","has coordinates","220023","2020-10-21","18:00:00",""
"4514863","11.071","0.0005","10.4143","0.0005","13.4557","0.0006","90","","105.015","0.0007","90","","1498.43","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br Mn N2 O4 -","- C13 H12 Br Mn N2 O4 -","- C52 H48 Br4 Mn4 N8 O16 -","4","1","","Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias","Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes","ACS Catalysis","2019","9","3","2091","","10.1021/acscatal.8b03548","","","0.71073","MoKα","","0.0255","0.0223","","","0.0491","0.0501","","","","","","1.124","","","","has coordinates,has disorder","220024","2020-10-21","18:00:00",""
"4514864","7.1769","0.0004","9.2213","0.0005","11.5716","0.0006","85.6351","0.0018","84.0784","0.0018","82.509","0.0017","753.7","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br Mn N2 O4 -","- C15 H10 Br Mn N2 O4 -","- C30 H20 Br2 Mn2 N4 O8 -","2","1","","Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias","Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes","ACS Catalysis","2019","9","3","2091","","10.1021/acscatal.8b03548","","","0.71073","MoKα","","0.0203","0.0186","","","0.0498","0.0508","","","","","","1.048","","","","has coordinates","220025","2020-10-21","18:00:00",""
"4514865","10.7383","0.0006","18.1542","0.0008","7.5303","0.0004","90","","90","","90","","1468","0.13","210","2","210","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","1.54178","CuKα","","0.0576","0.0533","","","0.1451","0.1509","","","","","","1.046","","","","has coordinates","220026","2020-10-21","18:00:00",""
"4514866","9.72","0.002","7.5084","0.0018","16.171","0.004","90","","94.588","0.007","90","","1176.4","0.5","120","2","120.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C54 H64 O6 -","2","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.11","0.0554","","","0.1149","0.1346","","","","","","1.064","","","","has coordinates","220027","2020-10-21","18:00:00",""
"4514867","10.5383","0.0013","19.337","0.002","7.9828","0.001","90","","92.029","0.004","90","","1625.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N3 O3 -","- C18 H12 F3 N3 O3 -","- C72 H48 F12 N12 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.1302","0.0688","","","0.182","0.2398","","","","","","1.101","","","","has coordinates","220028","2020-10-21","18:00:00",""
"4514868","13.3161","0.0005","14.0105","0.0006","15.2863","0.0006","72.192","0.003","64.226","0.002","62.74","0.002","2262.59","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 N Ni O P2 -","- C50 H39 N Ni O P2 -","- C100 H78 N2 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0616","0.0415","","","0.1034","0.1127","","","","","","1.015","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514869","9.5744","0.0003","11.9148","0.0005","18.1503","0.0007","102.462","0.002","103.789","0.002","97.605","0.002","1926.26","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 N Ni O P2 -","- C49 H39 N Ni O P2 -","- C98 H78 N2 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0621","0.04","","","0.0913","0.1001","","","","","","1.035","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514870","20.6558","0.0015","9.9242","0.0009","22.517","0.0013","90","","109.612","0.005","90","","4348","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Ni P3 -","- C54 H47 Ni P3 -","- C216 H188 Ni4 P12 -","4","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.1244","0.0618","","","0.127","0.1511","","","","","","1.096","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514871","10.3659","0.0004","14.4217","0.0006","16.331","0.0007","102.781","0.0013","99.4257","0.0013","110.567","0.0013","2149.77","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H46 Ni O P2 -","- C54.5 H46 Ni O P2 -","- C109 H92 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0611","0.0379","","","0.0855","0.0947","","","","","","1.012","","","","has coordinates,has disorder","220029","2020-10-21","18:00:00",""
"4514872","15.8225","0.0007","19.4848","0.0009","21.1157","0.001","70.092","0.003","81.078","0.003","72.501","0.002","5827.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C210 H154 Br2 Cu6 F18 N30 O24 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","1","0.5","","Prakasam, Thirumurugan; Devaraj, Anthonisamy; Saha, Rupak; Lusi, Matteo; Brandel, Jeremy; Esteban-Gómez, David; Platas-Iglesias, Carlos; Olson, Mark Anthony; Mukherjee, Partha Sarathi; Trabolsi, Ali","Metal‒Organic Self-Assembled Trefoil Knots for C—Br Bond Activation","ACS Catalysis","2019","9","3","1907","","10.1021/acscatal.8b04650","","","1.54178","CuKα","","0.1278","0.1101","","","0.3088","0.3225","","","","","","1.364","","","","has coordinates","220030","2020-10-21","18:00:00",""
"4514873","15.378","0.003","15.378","0.003","5.9449","0.0015","90","","90","","120","","1217.5","0.5","100","2","100","2","","","","","","","","3","P 3","P 3","143","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C54 H84 O6 -","3","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1388","0.0963","","","0.222","0.2477","","","","","","1.075","","","","has coordinates,has disorder","220031","2020-10-21","18:00:00",""
"4514874","15.4852","0.0008","15.4852","0.0008","26.1457","0.0016","90","","90","","90","","6269.5","0.6","100","2","100","2","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- C19 H26 O -","- C19 H26 O -","- C304 H416 O16 -","16","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.0701","0.0466","","","0.0968","0.1096","","","","","","1.065","","","","has coordinates,has disorder","220032","2020-10-21","18:00:00",""
"4514875","8.787","0.004","11.718","0.005","14.849","0.007","90","","95.361","0.008","90","","1522.3","1.2","105","2","105","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1216","0.0677","","","0.1469","0.1673","","","","","","1.032","","","","has coordinates","220033","2020-10-21","18:00:00",""
"4514876","7.1039","0.0018","11.823","0.003","19.698","0.005","90","","90","","90","","1654.4","0.7","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming","Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines","ACS Catalysis","2019","9","3","1680","","10.1021/acscatal.8b04933","","","0.71073","MoKα","","0.037","0.0365","","","0.0939","0.0943","","","","","","1.11","","","","has coordinates","220034","2020-10-21","18:00:00",""
"4514877","27.6888","0.0008","8.415","0.0003","21.6977","0.0007","90","","90.427","0.003","90","","5055.5","0.3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 O2 Si -","- C27 H31 O2 Si -","- C216 H248 O16 Si8 -","8","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.083","0.0662","","","0.1942","0.2152","","","","","","1.032","","","","has coordinates","220035","2020-10-21","18:00:00",""
"4514878","10.8692","0.0003","13.9222","0.0004","17.5154","0.0005","90","","90","","90","","2650.49","0.13","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O S Si -","- C30 H32 O S Si -","- C120 H128 O4 S4 Si4 -","4","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","0.71073","MoKα","","0.0515","0.0402","","","0.0977","0.1055","","","","","","1.035","","","","has coordinates","220036","2020-10-21","18:00:00",""
"4514879","7.3547","0.0003","43.2835","0.0016","8.7345","0.0004","90","","93.821","0.004","90","","2774.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 N O Si -","- C32 H33 N O Si -","- C128 H132 N4 O4 Si4 -","4","2","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.1021","0.0858","","","0.2395","0.2692","","","","","","1.032","","","","has coordinates","220037","2020-10-21","18:00:00",""
"4514880","11.5014","0.0009","12.237","0.001","12.4559","0.0009","61.15","0.002","71.428","0.003","73.307","0.003","1436.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Br Mn N2 O9 P2 -","- C23 H30 Br Mn N2 O9 P2 -","- C46 H60 Br2 Mn2 N4 O18 P4 -","2","1","","Woo, Sung-Jun; Choi, Sunghan; Kim, So-Yoen; Kim, Pil Soo; Jo, Ju Hyoung; Kim, Chul Hoon; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Highly Selective and Durable Photochemical CO2 Reduction by Molecular Mn(I) Catalyst Fixed on a Particular Dye-Sensitized TiO2 Platform","ACS Catalysis","2019","9","3","2580","","10.1021/acscatal.8b03816","","","0.71073","MoKα","","0.0657","0.0443","","","0.105","0.1162","","","","","","1.028","","","","has coordinates","220038","2020-10-21","18:00:00",""
"4514881","20.647","0.0006","10.3884","0.0002","17.2385","0.0005","90","","114.021","0.004","90","","3377.26","0.19","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 O5 -","- C17 H16 Br2 O5 -","- C136 H128 Br16 O40 -","8","2","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","x-ray","1.54184","CuKα","","0.0625","0.0528","","","0.1519","0.1666","","","","","","1.093","","","","has coordinates,has disorder","220039","2020-10-21","18:00:00",""
"4514882","6.1976","0.0017","17.271","0.005","7.158","0.002","90","","103.688","0.003","90","","744.4","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C34 H30 Cl2 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0284","0.0282","","","0.0719","0.0722","","","","","","1.072","","","","has coordinates","220040","2020-10-21","18:00:00",""
"4514883","11.584","0.0004","7.7058","0.0002","15.1367","0.0005","90","","109.376","0.004","90","","1274.63","0.08","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 Br N2 O5 -","- C30 H25 Br N2 O5 -","- C60 H50 Br2 N4 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0385","0.0364","","","0.0873","0.0886","","","","","","1.053","","","","has coordinates","220041","2020-10-21","18:00:00",""
"4514884","6.0801","0.0012","8.1103","0.0016","22.242","0.004","90","","90","","90","","1096.8","0.4","153","2","153.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.1093","0.0867","","","0.1516","0.1675","","","","","","1.131","","","","has coordinates","220042","2020-10-21","18:00:00",""
"4514885","8.7971","0.0003","17.2916","0.0007","20.3839","0.0008","90","","90","","90","","3100.7","0.2","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N3 O8 S -","- C33 H33 N3 O8 S -","- C132 H132 N12 O32 S4 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0846","0.0674","","","0.125","0.1328","","","","","","1.1","","","","has coordinates","220043","2020-10-21","18:00:00",""
"4514886","6.2963","0.0018","32.789","0.009","11.523","0.003","90","","100.644","0.003","90","","2338","1.1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O7 -","- C27 H26 Cl N O7 -","- C108 H104 Cl4 N4 O28 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0576","0.0524","","","0.1141","0.1177","","","","","","1.113","","","","has coordinates","220044","2020-10-21","18:00:00",""
"4514887","6.0855","0.0012","12.683","0.003","13.554","0.003","90","","93.29","0.03","90","","1044.4","0.4","173","2","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0346","0.0337","","","0.0805","0.0815","","","","","","1.042","","","","has coordinates","220045","2020-10-21","18:00:00",""
"4514888","11.7248","0.0012","13.6488","0.0013","19.0159","0.0019","90","","90","","90","","3043.1","0.5","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 F6 N2 O8 -","- C27.999 H26 F5.997 N2 O8 -","- C111.996 H104 F23.988 N8 O32 -","4","1","","Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M.","Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate","ACS Catalysis","2019","9","3","2110","","10.1021/acscatal.8b04444","","","0.71073","MoKα","","0.0782","0.0439","","","0.0898","0.1058","","","","","","1.014","","","","has coordinates,has disorder","220046","2020-10-21","18:00:00",""
"4514889","7.6912","0.0012","23.747","0.004","7.518","0.0013","90","","90","","90","","1373.1","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N S -","- C16 H12 Cl N S -","- C64 H48 Cl4 N4 S4 -","4","1","","Wang, Huamin; Li, Yongli; Lu, Qingquan; Yu, Mingming; Bai, Xudong; Wang, Shengchun; Cong, Hengjiang; Zhang, Heng; Lei, Aiwen","Oxidation-Induced β-Selective C‒H Bond Functionalization: Thiolation and Selenation of N-Heterocycles","ACS Catalysis","2019","9","3","1888","","10.1021/acscatal.8b05054","","","1.54178","CuKα","","0.052","0.0516","","","0.1498","0.1504","","","","","","1.155","","","","has coordinates","220047","2020-10-21","18:00:00",""
"4514890","11.654","0.003","14.455","0.003","13.866","0.003","90","","98.639","0.006","90","","2309.3","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Mn O3 P2 -","- C20 H39 Mn O3 P2 -","- C80 H156 Mn4 O12 P8 -","4","1","","Weber, Stefan; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Rethinking Basic Concepts—Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes","ACS Catalysis","2019","","","9715","","10.1021/acscatal.9b03963","","","0.71073","MoKα","","0.0533","0.036","","","0.08","0.0866","","","","","","1.029","","","","has coordinates","220048","2020-10-21","18:00:00",""
"4514891","31.69","0.008","12.063","0.005","34.405","0.005","90","","109.475","0.013","90","","12400","6","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H121.28 F24 Fe4 N24.43 O27 S8 -","- C92 H121.281 F24 Fe4 N24.427 O27 S8 -","- C368 H485.125 F96 Fe16 N97.708 O108 S32 -","4","1","","Zott, Michael D.; Garrido-Barros, Pablo; Peters, Jonas C.","Electrocatalytic Ammonia Oxidation Mediated by a Polypyridyl Iron Catalyst","ACS Catalysis","2019","","","10101","","10.1021/acscatal.9b03499","","","1.54178","CuKα","","0.0812","0.0739","","","0.1588","0.1623","","","","","","1.097","","","","has coordinates,has disorder","220049","2020-10-21","18:00:00",""
"4514892","10.0468","0.0005","14.4215","0.0007","20.9082","0.0011","90","","90","","90","","3029.4","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al Cl9 Ga2 N6 -","- C12 H18 Al Cl9 Ga2 N6 -","- C48 H72 Al4 Cl36 Ga8 N24 -","4","1","","Li, Kai; Choudhary, Hemant; Mishra, Manish Kumar; Rogers, Robin D.","Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation","ACS Catalysis","2019","","","9789","","10.1021/acscatal.9b03132","","","0.71073","MoKα","","0.0937","0.0697","","","0.213","0.2362","","","","","","1.066","","","","has coordinates","220050","2020-10-21","18:00:00",""
"4514893","19.6581","0.0013","8.4966","0.0004","27.1209","0.0015","90","","90","","90","","4529.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","14-(4-ethylbenzoyl)-4a,8-dimethyl-3,4,4a,6,7,13a-hexahydro-4,7-methanobenzo[2,3][1,4]oxazepino[4,5- a]indol-2(1 H)-one","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C224 H232 N8 O24 -","8","1","","Thopate, Satish B.; Jadhav, Sandip B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Stereoselective Desymmetrization of Cyclohexadienone-Tethered Enones: Efficient Access to Highly Strained Polycyclic Indoles","ACS Catalysis","2019","","","10012","","10.1021/acscatal.9b03560","","","0.71073","MoKα","","0.1703","0.066","","","0.1493","0.1989","","","","","","1.001","","","","has coordinates","220051","2020-10-21","18:00:00",""
"4514894","10.013","0.0002","7.4903","0.0002","22.9488","0.0007","90","","98.688","0.002","90","","1701.42","0.08","93","2","93","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Li, Junqi; Grosslight, Samantha; Miller, Scott J.; Sigman, Matthew S.; Toste, F. Dean","Site-Selective Acylation of Natural Products with BINOL-Derived Phosphoric Acids","ACS Catalysis","2019","","","9794","","10.1021/acscatal.9b03535","","","1.54184","CuKα","","0.0338","0.0337","","","0.085","0.085","","","","","","1.142","","","","has coordinates","220052","2020-10-21","18:00:00",""
"4514895","10.8454","0.0002","15.0719","0.0003","21.848","0.0004","90","","90","","90","","3571.29","0.12","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 B P -","- C21 H22 B P -","- C168 H176 B8 P8 -","8","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0424","0.0419","","","0.0954","0.0957","","","","","","1.085","","","","has coordinates","220053","2020-10-21","18:00:00",""
"4514896","9.4779","0.0005","9.5662","0.0003","11.438","0.0004","69.891","0.003","65.634","0.004","67.434","0.004","850.88","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Cl2 P2 Pd -","- C38 H46 Cl2 P2 Pd -","- C38 H46 Cl2 P2 Pd -","1","0.5","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.024","0.0229","","","0.0529","0.0535","","","","","","1.045","","","","has coordinates","220054","2020-10-21","18:00:00",""
"4514897","9.4514","0.0002","18.192","0.0004","9.7634","0.0002","90","","90.35","0.002","90","","1678.69","0.06","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 B P -","- C19 H26 B P -","- C76 H104 B4 P4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0471","0.045","","","0.0926","0.0938","","","","","","1.056","","","","has coordinates","220055","2020-10-21","18:00:00",""
"4514898","8.0198","0.0001","15.1635","0.0003","14.6975","0.0003","90","","95.659","0.002","90","","1778.63","0.06","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 B P -","- C21 H22 B P -","- C84 H88 B4 P4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0406","0.0403","","","0.0957","0.096","","","","","","1.032","","","","has coordinates","220056","2020-10-21","18:00:00",""
"4514899","19.4343","0.0004","19.4343","0.0004","6.0779","0.0002","90","","90","","120","","1988.03","0.09","293","2","293","2","","","","","","","","4","P 31","P 31","144","","tert-butyl (2S,3R)-2-(((benzyloxy)carbonyl)oxy)-3-((tert-butoxycarbonyl)amino)-2-cyano-3-phenylpropanoate","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C81 H96 N6 O21 -","3","1","","Nanjo, Takeshi; Zhang, Xuan; Tokuhiro, Yusuke; Takemoto, Yoshiji","Divergent and Scalable Synthesis of α-Hydroxy/Keto-β-amino Acid Analogues by the Catalytic Enantioselective Addition of Glyoxylate Cyanohydrin to Imines","ACS Catalysis","2019","","","10087","","10.1021/acscatal.9b03394","","x-ray","1.54184","CuKα","","0.0702","0.0645","","","0.1746","0.1803","","","","","","1.165","","","","has coordinates","220057","2020-10-21","18:00:00",""
"4514900","7.9972","0.0003","16.3553","0.0005","18.8545","0.0006","90","","90","","90","","2466.1","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 I O4 P -","- C28 H26 I O4 P -","- C112 H104 I4 O16 P4 -","4","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","0.71073","MoKα","","0.0389","0.0347","","","0.0642","0.0674","","","","","","1.076","","","","has coordinates","220059","2020-10-21","18:00:00",""
"4514901","9.27489","0.00012","7.39505","0.0001","16.7947","0.0002","90","","94.7237","0.0012","90","","1148.01","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 O2 P -","- C28 H27 O2 P -","- C56 H54 O4 P2 -","2","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0813","0.0815","","","","","","1.081","","","","has coordinates","220060","2020-10-21","18:00:00",""
"4514902","7.18064","0.0001","15.0632","0.0002","19.4179","0.0003","90","","90","","90","","2100.31","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O2 P -","- C24 H27 O2 P -","- C96 H108 O8 P4 -","4","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","1.54184","CuKα","","0.0418","0.0412","","","0.1095","0.1102","","","","","","1.077","","","","has coordinates","220061","2020-10-21","18:00:00",""
"4514903","13.559","0.002","15.38","0.002","15.989","0.003","63.668","0.005","88.605","0.007","74.638","0.006","2864.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H35 Cl2 Co N6 O7.5 -","- C22 H35 Cl2 Co N6 O7.5 -","- C88 H140 Cl8 Co4 N24 O30 -","4","4","","Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab","Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts","ACS Catalysis","2019","","","10115","","10.1021/acscatal.9b02953","","","0.71073","MoKα","","0.0566","0.0466","","","0.1156","0.1214","","","","","","1.035","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4514904","15.4342","0.001","23.908","0.003","16.1767","0.0012","90","","117.903","0.002","90","","5275.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 Cl2 Co N6 O6 -","- C21 H33 Cl2 Co N6 O6 -","- C168 H264 Cl16 Co8 N48 O48 -","8","2","","Dolui, Dependu; Khandelwal, Shikha; Shaik, Althaf; Gaat, Deepika; Thiruvenkatam, Vijay; Dutta, Arnab","Enzyme-Inspired Synthetic Proton Relays Generate Fast and Acid-Stable Cobalt-Based H2 Production Electrocatalysts","ACS Catalysis","2019","","","10115","","10.1021/acscatal.9b02953","","","0.71073","MoKα","","0.0349","0.0292","","","0.0727","0.0757","","","","","","1.1","","","","has coordinates","220063","2020-10-21","18:00:00",""
"4514905","5.7293","0.0001","15.1954","0.0003","18.1245","0.0005","90","","96.688","0.002","90","","1567.16","0.06","294.4","0.2","294.4","0.2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Singh, Dileep Kumar; Jang, Kyungkuk; Kim, Jinhwang; Lee, Jeeyeon; Kim, Ikyon","Intramolecular Electrophilic Cyclization Approach to 6-Substituted Naphtho[2,1- b]benzofurans: Novel Dual-State Emissive Fluorophores with Blue Emission.","ACS combinatorial science","2019","21","5","408","416","10.1021/acscombsci.9b00006","","x-ray","1.54184","CuKα","","0.0336","0.0322","","","0.0923","0.0949","","","","","","1.059","","","","has coordinates","220066","2020-10-21","18:00:00",""
"4514906","29.608","0.003","7.135","0.0009","10.0478","0.0011","90","","90","0.004","90","","2122.6","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","","0.71073","MoKα","","0.1071","0.054","","","0.1306","0.1762","","","","","","1.011","","","","has coordinates","220067","2020-10-21","18:00:00",""
"4514907","5.4865","0.0002","19.6475","0.0005","20.5452","0.0006","90","","90","","90","","2214.69","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","x-ray","0.71073","MoKα","","0.0389","0.0334","","","0.0763","0.0802","","","","","","0.979","","","","has coordinates","220068","2020-10-21","18:00:00",""
"4514908","19.735","0.009","5.187","0.003","25.427","0.015","90","","110.875","0.013","90","","2432","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C104 H72 N24 O16 S8 -","8","2","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","","0.71073","MoKα","","0.0997","0.0564","","","0.144","0.1733","","","","","","0.985","","","","has coordinates","220069","2020-10-21","18:00:00",""
"4514909","28.396","0.003","4.995","0.0005","20.877","0.002","90","","106.921","0.003","90","","2833","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.1083","0.0834","","","0.2062","0.2302","","","","","","1.045","","","","has coordinates,has disorder","220070","2020-10-21","18:00:00",""
"4514910","10.0749","0.0003","10.0749","0.0003","24.547","0.001","90","","90","","90","","2491.61","0.15","200","2","200","2","","","","","","","","5","P 41","P 4w","76","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C124 H104 N8 O8 S4 -","4","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.0714","0.0418","","","0.0765","0.0869","","","","","","0.979","","","","has coordinates","220071","2020-10-21","18:00:00",""
"4514911","12.6875","0.0016","11.3244","0.0014","26.09","0.003","90","","90","","90","","3748.6","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.0578","0.0389","","","0.082","0.0904","","","","","","1.025","","","","has coordinates","220072","2020-10-21","18:00:00",""
"4514912","5.4995","0.0011","18.143","0.004","22.295","0.005","90","","90","","90","","2224.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0629","0.056","","","0.1442","0.1595","","","","","","1.082","","","","has coordinates","220073","2020-10-21","18:00:00",""
"4514913","14.811","0.0013","16.4734","0.0014","19.615","0.0016","100.872","0.003","90.005","0.004","111.647","0.004","4355.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N2 O4 S -","- C24 H25.25 N2 O4 S -","- C192 H202 N16 O32 S8 -","8","4","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0683","0.0637","","","0.1616","0.1661","","","","","","1.021","","","","has coordinates,has disorder","220074","2020-10-21","18:00:00",""
"4514914","8.2378","0.0004","8.6386","0.0004","12.0226","0.0006","90","","99.287","0.003","90","","844.35","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0282","0.0276","","","0.0731","0.0738","","","","","","1.043","","","","has coordinates","220075","2020-10-21","18:00:00",""
"4514915","8.2567","0.0002","10.4077","0.0003","20.4581","0.0005","90","","90","","90","","1758.03","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0272","0.027","","","0.0701","0.0702","","","","","","1.075","","","","has coordinates","220076","2020-10-21","18:00:00",""
"4514916","7.6852","0.0002","10.0944","0.0002","15.8894","0.0003","102.737","0.002","102.286","0.002","100.664","0.004","1139.46","0.05","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O3 Se -","- C26 H24 N2 O3 Se -","- C52 H48 N4 O6 Se2 -","2","1","","Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.","ACS combinatorial science","2019","21","6","456","464","10.1021/acscombsci.9b00021","","","1.54178","CuKα","","0.041","0.041","","","0.0588","0.0588","","","","1.11","1.11","1.11","","","","has coordinates","220077","2020-10-21","18:00:00",""
"4514917","5.7091","0.0002","11.1223","0.0004","12.4991","0.0005","105.121","0.003","101.686","0.003","98.661","0.003","732.73","0.05","295","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O2 Se -","- C15 H16 N2 O2 Se -","- C30 H32 N4 O4 Se2 -","2","1","","Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.","ACS combinatorial science","2019","21","6","456","464","10.1021/acscombsci.9b00021","","","1.54178","CuKα","","0.0418","0.0347","","","0.049","0.051","","","","1.13","1.13","1.05","","","","has coordinates","220078","2020-10-21","18:00:00",""
"4514918","14.3159","0.0001","10.6004","0.0001","12.1334","0.0001","90","","98.394","0.001","90","","1821.57","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N5 O -","- C20 H23 N5 O -","- C80 H92 N20 O4 -","4","1","","Junaid, Ahmad; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","New One-Pot Synthesis of 1,3,5-Triazines: Three-Component Condensation, Dimroth Rearrangement, and Dehydrogenative Aromatization.","ACS combinatorial science","2019","21","7","548","555","10.1021/acscombsci.9b00079","","","1.54178","CuKα","","0.0343","0.0327","","","0.0851","0.0868","","","","","","1.046","","","","has coordinates","220079","2020-10-21","18:00:00",""
"4514919","8.9672","0.0003","13.9684","0.0005","14.9369","0.0005","90.013","0.002","90.036","0.002","96.329","0.002","1859.55","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F3 N4 -","- C21 H17 F3 N4 -","- C84 H68 F12 N16 -","4","2","","He, Qiu-Xing; Liang, Yao-Feng; Xu, Chang; Yao, Xiao-Kun; Cao, Hua; Yao, Hua-Gang","Highly Regioselective, Acid-Catalyzed, Three-Component Cascade Reaction for the Synthesis of 2-aminopyridine-Decorated Imidazo[1,2- a]pyridine.","ACS combinatorial science","2019","21","3","149","153","10.1021/acscombsci.8b00149","","","0.71073","MoKα","","0.0909","0.0766","","","0.2269","0.2454","","","","","","1.049","","","","has coordinates","220080","2020-10-21","18:00:00",""
"4514920","8.5277","0.0001","7.6795","0.0001","13.5715","0.0001","90","","91.593","0.001","90","","888.433","0.017","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Cl5 H24 N9 O2 Ru2 -","- Cl4.5 H24 N9 O2 Ru2 -","- Cl9 H48 N18 O4 Ru4 -","2","0.25","","Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy","A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.","ACS central science","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.055","0.0547","","","0.1425","0.1427","","","","","","1.066","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"4514921","10.0036","0.0001","10.0036","0.0001","37.9277","0.0003","90","","90","","120","","3287","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H32 Cl5 N9 O Ru2 -","- C8 H32 Cl5 N9 O Ru2 -","- C48 H192 Cl30 N54 O6 Ru12 -","6","0.5","","Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy","A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.","ACS central science","2019","5","1","153","166","10.1021/acscentsci.8b00773","","x-ray","1.54184","CuKα","","0.0171","0.0168","","","0.0427","0.043","","","","","","1.07","","","","has coordinates,has disorder","220083","2020-10-21","18:00:00",""
"4514922","4.5694","0.0012","11.748","0.003","19.504","0.004","90","","94.147","0.014","90","","1044.3","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H6 I3 N3 Pb -","- C H6 I3 N3 Pb -","- C4 H24 I12 N12 Pb4 -","4","1","","Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song","Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction.","ACS central science","2019","5","8","1377","1386","10.1021/acscentsci.9b00367","","x-ray","0.71073","MoKα","","0.0234","0.0233","","","0.0523","0.0523","","","","","","1.389","","","","has coordinates","220084","2020-10-21","18:00:00",""
"4514923","45.146","0.016","8.814","0.003","8.695","0.003","90","","100.03","0.005","90","","3407","2","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H38 I7 N3 Pb2 -","- C13 H38 I7 N3 Pb2 -","- C52 H152 I28 N12 Pb8 -","4","0.5","","Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song","Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction.","ACS central science","2019","5","8","1377","1386","10.1021/acscentsci.9b00367","","x-ray","0.71073","MoKα","","0.0241","0.0211","","","0.0496","0.0509","","","","","","1.061","","","","has coordinates,has disorder","220085","2020-10-21","18:00:00",""
"4514924","15.4952","0.0004","15.2588","0.0004","27.3371","0.0007","90","","91.4479","0.0012","90","","6461.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -","- C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2 -","- C154.04 H184.16 B72 Cl72 O9.96 P8 Pd8 -","4","1","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.71073","MoKα","","0.0438","0.0313","","","0.0644","0.0702","","","","","","1.029","","","","has coordinates,has disorder","220086","2020-10-21","18:00:00",""
"4514925","13.05","0.003","12.04","0.002","13.06","0.003","107.57","0.03","91.15","0.03","123.19","0.03","1592.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 B18 Cl18 O2 P2 Pd2 -","- C44 H56 B18 Cl18 O4 P2 Pd2 -","- C44 H56 B18 Cl18 O4 P2 Pd2 -","1","0.5","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.2155","0.1822","","","0.3798","0.4004","","","","","","1.929","","","","has coordinates,has disorder","220087","2020-10-21","18:00:00",""
"4514926","10.01","0.002","31.78","0.006","13.34","0.003","90","0.03","90.15","0.03","90","0.03","4243.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(triphenylphosphine)rhodium carbonyl hydride","","- C220 H184 O4 P12 Rh4 -","- C220 H184 O4 P12 Rh4 -","- C220 H184 O4 P12 Rh4 -","1","0.25","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1604","0.1324","","","0.3182","0.3401","","","","","","1.674","","","","has coordinates","220088","2020-10-21","18:00:00",""
"4514927","19.76","0.004","10.1","0.002","14.58","0.003","90","0.03","90","0.03","90","0.03","2909.8","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[1,1?-Bis(diphenylphosphino)ferrocene]dichloronickel(II)","","- C136 H112 Cl8 Fe4 Ni4 P8 -","- C136 H112 Cl8 Fe4 Ni4 P8 -","- C136 H112 Cl8 Fe4 Ni4 P8 -","1","0.25","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1239","0.1125","","","0.2599","0.274","","","","","","1.583","","","","has coordinates","220089","2020-10-21","18:00:00",""
"4514928","15.52","0.003","13.41","0.003","16.49","0.003","90","0.03","90","0.03","90","0.03","3432","1.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","1","0.125","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","","","0.2014","0.1607","","","0.3583","0.3941","","","","","","1.826","","","","has coordinates","220090","2020-10-21","18:00:00",""
"4514929","7.21","0.0014","9.2","0.0018","13.84","0.003","90","","90","","90","","918","0.3","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","Schwartz reagent","Bis(cyclopentadienyl)zirconium(IV) chloride hydride","","- C10 H11 Cl Zr -","- C10 H11 Cl Zr -","- C40 H44 Cl4 Zr4 -","4","0.5","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1645","0.1495","","","0.3625","0.3785","","","","","","2.254","","","","has coordinates","220091","2020-10-21","18:00:00",""
"4514930","9.68","0.002","25.65","0.005","16.08","0.003","90","0.03","92.63","0.03","90","0.03","3988.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Grubbs catalyst","Benzylidene-bis(tricyclohexylphosphino)-dichlororuthenium","","- C172 H288 Cl8 P8 Ru4 -","- C172 H288 Cl8 P8 Ru4 -","- C172 H288 Cl8 P8 Ru4 -","1","0.25","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1882","0.1595","","","0.3788","0.3997","","","","","","1.803","","","","has coordinates","220092","2020-10-21","18:00:00",""
"4514931","10.2","0.002","17.04","0.003","19.9","0.004","90","0.03","90","0.03","90","0.03","3458.8","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PdPHOX","","","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","1","0.25","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1764","0.1432","","","0.3168","0.3504","","","","","","1.301","","","","has coordinates","220093","2020-10-21","18:00:00",""
"4514932","9.5161","0.0012","30.572","0.004","13.2584","0.0012","90","","125.371","0.006","90","","3145.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Yin, Ya; Chen, Zhao; Fan, Congbin; Liu, Gang; Pu, Shouzhi","1,8-Naphthalimide-Based Highly Emissive Luminophors with Various Mechanofluorochromism and Aggregation-Induced Characteristics.","ACS omega","2019","4","10","14324","14332","10.1021/acsomega.9b02110","","","0.71073","MoKα","","0.1797","0.0514","","","0.0733","0.0961","","","","","","0.892","","","","has coordinates,has disorder","220106","2020-10-21","18:00:00",""
"4514933","9.4329","0.0006","15.1034","0.001","26.0725","0.0018","88.912","0.002","88.455","0.002","89.894","0.002","3712.5","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N3 O5 P -","- C42 H46 N3 O5 P -","- C168 H184 N12 O20 P4 -","4","2","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1214","0.0852","","","0.1926","0.2115","","","","","","1.074","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514934","9.6355","0.0009","10.7583","0.001","17.1049","0.0013","93.228","0.007","98.981","0.007","109.589","0.009","1638.7","0.3","120.15","","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N2 O4 P -","- C39 H39 N2 O4 P -","- C78 H78 N4 O8 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1062","0.0712","","","0.1629","0.1783","","","","","","1.037","","","","has coordinates,has disorder","220107","2020-10-21","18:00:00",""
"4514935","9.5044","0.0003","23.4379","0.0009","16.1485","0.0006","90","","103.624","0.004","90","","3496.1","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 N2 O5 P -","- C40 H43 N2 O5 P -","- C160 H172 N8 O20 P4 -","4","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","x-ray","0.71073","MoKα","","0.0494","0.0384","","","0.0943","0.0986","","","","","","1.074","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514936","13.676","0.003","14.171","0.003","15.193","0.003","75.37","0.03","89.48","0.03","62.42","0.03","2505.2","1.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 N5 O4 P -","- C53 H64 N5 O4 P -","- C106 H128 N10 O8 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.0761","0.0487","","","0.1275","0.1406","","","","","","1.038","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514937","17.3212","0.0007","9.5487","0.0005","22.725","0.001","90","","95.214","0.004","90","","3743","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H94 N4 O8 P2 -","- C86 H94 N4 O8 P2 -","- C172 H188 N8 O16 P4 -","2","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1343","0.0492","","","0.0922","0.1185","","","","","","0.86","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514938","9.51","0.005","13.081","0.005","17.645","0.005","94.548","0.005","104.485","0.005","111.12","0.005","1947.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H50.4 N3 O7 P -","- C43 H50.4 N3 O7 P -","- C86 H100.8 N6 O14 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71069","MoKα","","0.2243","0.1144","","","0.2617","0.3317","","","","","","1.031","","","","has coordinates,has disorder","220107","2020-10-21","18:00:00",""
"4514939","10.8783","0.0004","17.6185","0.0007","19.0112","0.0007","88.647","0.003","83.371","0.003","88.178","0.003","3616.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H84 N2 O11 P2 -","- C82 H84 N2 O11 P2 -","- C164 H168 N4 O22 P4 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.0707","0.0562","","","0.126","0.1325","","","","","","1.074","","","","has coordinates,has disorder","220107","2020-10-21","18:00:00",""
"4514940","9.8697","0.0001","28.1617","0.0002","14.3794","0.0001","90","","100.735","0.001","90","","3926.77","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Mg N6 O14 P2 -","- C86 H102 Mg N6 O14 P2 -","- C172 H204 Mg2 N12 O28 P4 -","2","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","1.54184","CuKα","","0.0413","0.0409","","","0.1077","0.1082","","","","","","1.044","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514941","33.4738","0.0006","10.2253","0.0002","25.1238","0.0004","90","","101.698","0.002","90","","8420.8","0.3","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H92 Mg N4 O12 P2 -","- C82 H92 Mg N4 O12 P2 -","- C328 H368 Mg4 N16 O48 P8 -","4","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","x-ray","1.54184","CuKα","","0.0603","0.0539","","","0.1493","0.1591","","","","","","1.072","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514942","11.4475","0.0006","12.6239","0.0007","17.9127","0.001","90","","90","","90","","2588.6","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Cl2 N2 O6 -","- C25 H26 Cl2 N2 O6 -","- C100 H104 Cl8 N8 O24 -","4","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0574","0.048","","","0.1146","0.1206","","","","","","0.953","","","","has coordinates","220108","2020-10-21","18:00:00",""
"4514943","13.1762","0.0002","17.925","0.0002","20.5378","0.0003","90","","90","","90","","4850.69","0.12","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N3 O8 -","- C24 H25 N3 O8 -","- C192 H200 N24 O64 -","8","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0995","0.0576","","","0.1272","0.1465","","","","","","1.013","","","","has coordinates","220109","2020-10-21","18:00:00",""
"4514944","17.1736","0.0006","28.5197","0.0011","15.4911","0.0005","90","","90","","90","","7587.3","0.5","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C37 H21 Cl3 Cu N4 O10 -","- C37 H21 Cl3 Cu N4 O10 -","- C296 H168 Cl24 Cu8 N32 O80 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","1.54178","CuKα","","0.0936","0.0832","","","0.2568","0.2659","","","","","","1.051","","","","has coordinates","220110","2020-10-21","18:00:00",""
"4514945","17.033","0.002","28.521","0.006","15.29","0.002","90","","90","","90","","7428","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H18 Cu N4 O14 -","- C34 H18 Cu N4 O14 -","- C272 H144 Cu8 N32 O112 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1795","0.1284","","","0.3211","0.3441","","","","","","1.938","","","","has coordinates","220111","2020-10-21","18:00:00",""
"4514946","17.354","0.002","28.747","0.005","15.0069","0.0019","90","","90","","90","","7486.6","1.8","373","2","373","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H20 Cu N4 O11 -","- C34 H20 Cu N4 O11 -","- C272 H160 Cu8 N32 O88 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1937","0.0841","","","0.2178","0.2775","","","","","","1.004","","","","has coordinates","220112","2020-10-21","18:00:00",""
"4514947","6.5476","0.0005","5.9893","0.0004","14.4785","0.0012","90","","103.07","","90","","553.07","0.07","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 -","- C8 H5 -","- C32 H20 -","4","1","","Singh, Mala; Singh, Anoop S.; Mishra, Nidhi; Agrahari, Anand K.; Tiwari, Vinod K.","Benzotriazole as an Efficient Ligand in Cu-Catalyzed Glaser Reaction.","ACS omega","2019","4","1","2418","2424","10.1021/acsomega.8b03410","","","0.71073","MoKα","","0.0805","0.0685","","","0.1839","0.1961","","","","","","0.852","","","","has coordinates","220113","2020-10-21","18:00:00",""
"4514948","11.7532","0.0006","14.9001","0.0007","20.9384","0.0014","90","","105.744","0.007","90","","3529.2","0.4","200","0.14","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Mn2 N2 O11 Se2 -","- C34 H26 Mn2 N2 O11 Se2 -","- C136 H104 Mn8 N8 O44 Se8 -","4","1","","Kumar, Udit; Roy, Sritama; Jha, Raushan Kumar; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Selenolato-Bridged Manganese(I)-Based Dinuclear Metallacycles as Potential Anticancer Agents and Photo-CORMs","ACS Omega","2019","4","1","1923","","10.1021/acsomega.8b03177","","","0.71073","MoKα","","0.0648","0.0405","","","0.0872","0.0992","","","","","","0.946","","","","has coordinates","220114","2020-10-21","18:00:00",""
"4514949","7.1303","0.0002","11.687","0.0004","15.7104","0.0005","82.5101","0.0013","82.4547","0.0013","88.0256","0.0013","1286.57","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl3 F N3 O7 -","- C23 H21 Cl3 F N3 O7 -","- C46 H42 Cl6 F2 N6 O14 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0683","0.0619","","","0.1726","0.1808","","","","","","1.07","","","","has coordinates","220115","2020-10-21","18:00:00",""
"4514950","11.74","0.0002","11.8392","0.0002","16.8209","0.0004","90","","109.766","0.0007","90","","2200.23","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0472","0.0398","","","0.0958","0.1055","","","","","","1.067","","","","has coordinates","220116","2020-10-21","18:00:00",""
"4514951","5.8847","0.0001","10.0526","0.0002","31.9302","0.0007","90","","90","","90","","1888.88","0.06","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0232","0.023","","","0.0591","0.0592","","","","","","1.091","","","","has coordinates","220117","2020-10-21","18:00:00",""
"4514952","12.6555","0.0003","32.3648","0.0007","10.778","0.0002","90","","104.647","0.0012","90","","4271.13","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O7 -","- C22 H21 N3 O7 -","- C176 H168 N24 O56 -","8","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0908","0.0705","","","0.2032","0.225","","","","","","1.041","","","","has coordinates,has disorder","220118","2020-10-21","18:00:00",""
"4514953","12.1872","0.0003","19.6134","0.0004","10.1516","0.0002","90","","90","","90","","2426.56","0.09","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23.5 H23.5 Cl1.5 N3 O7 -","- C23.5 H23.5 Cl1.5 N3 O7 -","- C94 H94 Cl6 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0503","0.0494","","","0.1426","0.1448","","","","","","1.048","","","","has coordinates,has disorder","220119","2020-10-21","18:00:00",""
"4514954","10.694","0.0002","10.6945","0.0003","18.4813","0.0004","104.658","0.0006","95.9501","0.0006","99.2596","0.0007","1995.01","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0462","0.0435","","","0.115","0.1182","","","","","","1.039","","","","has coordinates,has disorder","220120","2020-10-21","18:00:00",""
"4514955","7.2684","0.0002","24.3971","0.0005","12.3277","0.0003","90","","93.9065","0.0007","90","","2180.97","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0487","0.045","","","0.1123","0.1159","","","","","","1.029","","","","has coordinates,has disorder","220121","2020-10-21","18:00:00",""
"4514956","9.5902","0.0002","9.6661","0.0002","20.341","0.0004","90","","90","","90","","1885.61","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0344","0.0334","","","0.0881","0.0896","","","","","","1.039","","","","has coordinates","220122","2020-10-21","18:00:00",""
"4514957","11.4775","0.0004","29.4193","0.001","14.3936","0.0005","90","","108.357","0.0011","90","","4612.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O7 -","- C24 H25 N3 O7 -","- C192 H200 N24 O56 -","8","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0605","0.053","","","0.1294","0.1378","","","","","","1.028","","","","has coordinates,has disorder","220123","2020-10-21","18:00:00",""
"4514958","9.2665","0.0003","10.5833","0.0003","17.9618","0.0005","90","","90.9476","0.0008","90","","1761.28","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0497","0.0478","","","0.1411","0.1439","","","","","","1.049","","","","has coordinates","220124","2020-10-21","18:00:00",""
"4514959","11.3435","0.0004","14.1708","0.0005","17.3486","0.0006","105.216","0.0011","96.8216","0.0012","109.162","0.0012","2476.78","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Br2 N6 O16 -","- C48 H48 Br2 N6 O16 -","- C96 H96 Br4 N12 O32 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.054","0.0499","","","0.1357","0.1409","","","","","","1.07","","","","has coordinates,has disorder","220125","2020-10-21","18:00:00",""
"4514960","23.749","0.0011","31.2851","0.0015","17.9917","0.0009","90","","108.379","0.002","90","","12685.8","1.1","188","2","188","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H42 N2 O2 S -","- C55 H42 N2 O2 S -","- C660 H504 N24 O24 S12 -","12","3","","Rao, Jiancheng; Zhao, Chenyang; Wang, Yanping; Bai, Keyan; Wang, Shumeng; Ding, Junqiao; Wang, Lixiang","Achieving Deep-Blue Thermally Activated Delayed Fluorescence in Nondoped Organic Light-Emitting Diodes through a Spiro-Blocking Strategy.","ACS omega","2019","4","1","1861","1867","10.1021/acsomega.8b03296","","","0.71073","MoKα","","0.1193","0.0702","","","0.1743","0.2216","","","","","","1.03","","","","has coordinates","220126","2020-10-21","18:00:00",""
"4514961","12.2404","0.001","9.0337","0.0008","8.8173","0.0007","90","","97.116","0.002","90","","967.47","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C32 H40 N8 O12 S4 -","4","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0391","0.0342","","","0.0958","0.1012","","","","","","1.114","","","","has coordinates","220127","2020-10-21","18:00:00",""
"4514962","10.1121","0.001","9.0764","0.0009","24.912","0.002","90","","90","","90","","2286.5","0.4","298","2","298.49","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 I N2 O3 -","- C10 H11 I N2 O3 -","- C80 H88 I8 N16 O24 -","8","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0518","0.044","","","0.0902","0.093","","","","","","1.228","","","","has coordinates","220128","2020-10-21","18:00:00",""
"4514963","11.2031","0.0017","11.2959","0.0018","12.3335","0.0019","75.867","0.003","84.541","0.004","68.411","0.003","1407.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cl N O5 -","- C30 H34 Cl N O5 -","- C60 H68 Cl2 N2 O10 -","2","1","","Dwari, Soumita; Jana, Chandan K.","Regio- and Enantioselective (Het)arylation of β-Alkenyl Pyrroline to α-Aryl-β-alkenyl Pyrrolidines.","ACS omega","2019","4","1","2445","2454","10.1021/acsomega.8b03033","","","0.71073","MoKα","","0.134","0.0677","","","0.1762","0.2075","","","","","","0.902","","","","has coordinates","220129","2020-10-21","18:00:00",""
"4514964","4.6276","0.0002","44.886","0.002","9.6881","0.0005","90","","94.437","0.002","90","","2006.33","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O5 -","- C26 H24 O5 -","- C104 H96 O20 -","4","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.0864","0.0706","","","0.1244","0.1296","","","","","","1.173","","","","has coordinates","220130","2020-10-21","18:00:00",""
"4514965","14.342","0.001","10.8063","0.0006","27.4777","0.0018","90","","90","","90","","4258.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C208 H208 O40 -","8","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.1221","0.1048","","","0.2099","0.2205","","","","","","1.4","","","","has coordinates","220131","2020-10-21","18:00:00",""
"4514966","14.734","0.015","6.879","0.006","15.543","0.018","90","","102.27","0.04","90","","1539","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl N2 O Pt -","- C15 H19 Cl N2 O Pt -","- C60 H76 Cl4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0271","0.0252","","","0.0714","0.0721","","","","","","1.213","","","","has coordinates,has disorder","220132","2020-10-21","18:00:00",""
"4514967","9.289","0.002","12.287","0.003","14.269","0.004","90","","108.793","0.013","90","","1541.8","0.7","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O2 Pt -","- C15 H22 N2 O2 Pt -","- C60 H88 N8 O8 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0503","0.0296","","","0.0651","0.0726","","","","","","0.961","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514968","13.594","0.003","20.593","0.008","18.051","0.007","90","","97.012","0.018","90","","5015","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N4 O2 Pt -","- C27 H32 N4 O2 Pt -","- C216 H256 N32 O16 Pt8 -","8","2","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.041","0.0371","","","0.0962","0.0993","","","","","","1.066","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514969","12.6298","0.0011","8.035","0.0007","16.7136","0.0014","90","","102.705","0.004","90","","1654.6","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0291","0.0271","","","0.0709","0.0717","","","","","","1.178","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514970","8.607","0.003","10.031","0.004","19.09","0.007","90","","90","","90","","1648.2","1.1","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0401","0.0298","","","0.0632","0.0681","","","","","","0.84","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514971","10.994","0.004","17.573","0.008","15.289","0.007","90","","98.994","0.008","90","","2917","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 Pt -","- C14 H20 N2 O3 Pt -","- C112 H160 N16 O24 Pt8 -","8","2","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.124","0.0506","","","0.0757","0.0906","","","","","","1.018","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514972","8.1553","0.0018","9.9572","0.0015","11.011","0.002","112.204","0.006","107.551","0.008","96.626","0.006","762.2","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N2 O4 Pt -","- C14 H22 N2 O4 Pt -","- C28 H44 N4 O8 Pt2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.026","0.0254","","","0.0851","0.0863","","","","","","0.821","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514973","11.584","0.007","11.704","0.014","13.061","0.014","90","","109.67","0.03","90","","1667","3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O4 Pt -","- C15 H24 N2 O4 Pt -","- C60 H96 N8 O16 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.026","0.0244","","","0.0946","0.0962","","","","","","1.095","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514974","7.754","0.004","7.966","0.006","13.423","0.011","99.03","0.04","101.68","0.02","92.59","0.05","799.3","1","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I N2 O Pt -","- C15 H19 I N2 O Pt -","- C30 H38 I2 N4 O2 Pt2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0418","0.032","","","0.0678","0.0714","","","","","","0.981","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514975","10.42","0.004","7.367","0.003","23.668","0.006","90","","91.804","0.019","90","","1816","1.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O5 Pt -","- C16 H26 N2 O5 Pt -","- C64 H104 N8 O20 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0526","0.0325","","","0.0576","0.0633","","","","","","1.002","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514976","16.687","0.006","7.538","0.003","49.99","0.017","90","","90","","90","","6288","4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 I N5 P2 Pt -","- C27 I N5 P2 Pt -","- C216 I8 N40 P16 Pt8 -","8","2","","Singh, Khushwant; Gangrade, Ankit; Jana, Achintya; Mandal, Biman B.; Das, Neeladri","Design, Synthesis, Characterization, and Antiproliferative Activity of Organoplatinum Compounds Bearing a 1,2,3-Triazole Ring","ACS Omega","2019","4","1","835","","10.1021/acsomega.8b02849","","","0.71073","MoKα","","0.1611","0.1157","","","0.2677","0.2868","","","","","","1.16","","","","has coordinates","220133","2020-10-21","18:00:00",""
"4514977","10.5961","0.0002","25.9364","0.0005","15.8162","0.0003","90","","108.823","0.002","90","","4114.22","0.14","150","2","150.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl9 N6 O4 -","- C37 H31 Cl9 N6 O4 -","- C148 H124 Cl36 N24 O16 -","4","1","","Knighton, Richard C.; Sharma, Krishna; Robertson, Naomi S.; Spring, David R.; Wills, Martin","Synthesis and Reactivity of a Bis-Strained Alkyne Derived from 1,1'-Biphenyl-2,2',6,6'-tetrol.","ACS omega","2019","4","1","2160","2167","10.1021/acsomega.8b03634","","x-ray","1.54184","CuKα","","0.1068","0.092","","","0.2501","0.2671","","","","","","1.025","","","","has coordinates,has disorder","220134","2020-10-21","18:00:00",""
"4514978","7.9848","0.0005","10.9219","0.0007","10.4925","0.0007","90","","94.018","0.004","90","","912.79","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 S2 -","- C20 H14 N4 S2 -","- C40 H28 N8 S4 -","2","0.5","","Peterson, Joshua P.; Zhang, Rui; Winter, Arthur H.","Effect of Structure on the Spin Switching and Magnetic Bistability of Solid-State Aryl Dicyanomethyl Monoradicals and Diradicals.","ACS omega","2019","4","8","13538","13542","10.1021/acsomega.9b01658","","","1.54178","CuKα","","0.0414","0.0392","","","0.0962","0.0981","","","","","","1.056","","","","has coordinates","220135","2020-10-21","18:00:00",""
"4514979","5.2432","0.0009","10.3449","0.0019","17.386","0.004","90","","90","","90","","943","0.3","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0774","0.0676","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","220136","2020-10-21","18:00:00",""
"4514980","7.5481","0.0002","8.9419","0.0003","7.9881","0.0002","90","","94.066","0.002","90","","537.79","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H17 N5 O4 -","- C7 H17 N5 O4 -","- C14 H34 N10 O8 -","2","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.059","0.0595","","","","","","1.039","","","","has coordinates","220137","2020-10-21","18:00:00",""
"4514981","21.0912","0.0004","26.5514","0.0005","3.97924","0.00007","90","","90","","90","","2228.38","0.07","100","2","100","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo7.66 O30.85 V2.82 -","- Mo7.665 O30.85 V2.815 -","- Mo30.66 O123.4 V11.26 -","4","1","","Sadakane, Masahiro; Kodato, Katsunori; Yasuda, Nobuhiro; Ishikawa, Satoshi; Ueda, Wataru","Thermal Behavior, Crystal Structure, and Solid-State Transformation of Orthorhombic Mo-V Oxide under Nitrogen Flow or in Air.","ACS omega","2019","4","8","13165","13171","10.1021/acsomega.9b01212","","","0.83077","Synchrotron","","0.0788","0.0442","","","0.0913","0.137","","","","","","1.216","","","","has coordinates,has disorder","220138","2020-10-21","18:00:00",""
"4514982","11.9944","0.0016","27.537","0.004","12.7749","0.0017","90","","103.334","0.004","90","","4105.7","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H31 Br2 N O4 -","- C47 H31 Br2 N O4 -","- C188 H124 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.161","0.0696","","","0.1619","0.2001","","","","","","1.01","","","","has coordinates,has disorder","220139","2020-10-21","18:00:00",""
"4514983","12.801","0.003","27.4","0.007","12.949","0.003","90","","106.379","0.006","90","","4357.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H30 Br3 N O4 -","- C47 H30 Br3 N O4 -","- C188 H120 Br12 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2758","0.1157","","","0.2858","0.3296","","","","","","0.979","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514984","21.259","0.003","9.2263","0.0014","23.706","0.003","90","","112.936","0.005","90","","4282.1","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 N3 O9 -","- C48 H33 N3 O9 -","- C192 H132 N12 O36 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2723","0.108","","","0.2646","0.3113","","","","","","0.936","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514985","10.5546","0.0007","16.9428","0.001","21.5166","0.0014","90","","90","","90","","3847.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.085","0.0424","","","0.0834","0.0922","","","","","","1.015","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514986","9.4168","0.0005","16.9448","0.0009","22.316","0.0011","90","","90","","90","","3560.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H31 F2 N O4 -","- C47 H31 F2 N O4 -","- C188 H124 F8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1216","0.0553","","","0.1127","0.1406","","","","","","1.02","","","","has coordinates,has disorder","220139","2020-10-21","18:00:00",""
"4514987","12.8873","0.0005","16.6635","0.0007","20.146","0.0009","90","","95.2856","0.0014","90","","4307.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Br Cl2 N O4 -","- C48 H32 Br Cl2 N O4 -","- C192 H128 Br4 Cl8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.089","0.0474","","","0.104","0.1204","","","","","","1.015","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514988","11.4873","0.0014","15.744","0.002","30.126","0.004","90","","91.112","0.004","90","","5447.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1448","0.0709","","","0.1963","0.233","","","","","","1.064","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514989","10.7296","0.0014","20.624","0.003","15.099","0.002","90","","92.26","0.003","90","","3338.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cl N O5 -","- C41 H30 Cl N O5 -","- C164 H120 Cl4 N4 O20 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2327","0.1195","","","0.1906","0.2582","","","","","","1.027","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514990","10.9707","0.0006","12.8061","0.0008","14.0208","0.0009","111.15","0.002","98.204","0.002","104.424","0.002","1719.22","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Br N O4 -","- C40 H28 Br N O4 -","- C80 H56 Br2 N2 O8 -","2","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.091","0.0516","","","0.1254","0.1427","","","","","","1.022","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514991","7.4084","0.0004","11.1408","0.0006","11.3339","0.0007","100.616","0.005","101.797","0.005","109.396","0.005","830.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C24 H38 B20 N2 O2 -","2","1","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0816","0.0511","","","0.119","0.1359","","","","","","1.026","","","","has coordinates","220140","2020-10-21","18:00:00",""
"4514992","6.7972","0.0007","10.1541","0.001","13.2095","0.0018","83.456","0.01","82.083","0.01","73.997","0.009","865.26","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 B10 O3 -","- C12 H20 B10 O3 -","- C24 H40 B20 O6 -","2","1","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0924","0.0532","","","0.1115","0.1309","","","","","","1.028","","","","has coordinates,has disorder","220140","2020-10-21","18:00:00",""
"4514993","6.8188","0.0003","15.6754","0.0007","16.1269","0.0007","91.943","0.004","93.8","0.004","92.089","0.004","1717.69","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 B10 O3 -","- C12 H20 B10 O3 -","- C48 H80 B40 O12 -","4","2","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0809","0.0522","","","0.1127","0.1258","","","","","","1.013","","","","has coordinates","220140","2020-10-21","18:00:00",""
"4514994","11.4382","0.0003","21.7525","0.0008","7.4867","0.0003","90","","89.81","0.003","90","","1862.75","0.11","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0516","0.0353","","","0.0814","0.09","","","","","","1.042","","","","has coordinates","220141","2020-10-21","18:00:00",""
"4514995","11.4343","0.0003","21.7262","0.0007","7.4193","0.0003","90","","89.963","0.003","90","","1843.13","0.11","220","2","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0463","0.0346","","","0.0847","0.0914","","","","","","1.063","","","","has coordinates","220142","2020-10-21","18:00:00",""
"4514996","11.479","0.0005","21.7236","0.0006","7.3541","0.0003","90","","90.167","0.003","90","","1833.85","0.12","120","2","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0464","0.0353","","","0.0781","0.0836","","","","","","1.046","","","","has coordinates","220143","2020-10-21","18:00:00",""
"4514997","11.3826","0.0003","21.696","0.0009","7.4517","0.0003","90","","90.222","0.001","90","","1840.23","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","","0.71073","MoKα","","0.0207","0.0203","","","0.0571","0.0573","","","","","","1.015","","","","has coordinates","220144","2020-10-21","18:00:00",""
"4514998","11.4656","0.0004","21.7296","0.0006","7.3867","0.0003","90","","90.066","0.003","90","","1840.34","0.11","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0443","0.0322","","","0.0738","0.08","","","","","","1.058","","","","has coordinates","220145","2020-10-21","18:00:00",""
"4514999","7.2508","0.0019","8.01","0.003","8.795","0.002","82.177","0.011","70.183","0.007","64.893","0.007","435.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H6 Fe2 N2 O12 -","- C14 H6 Fe2 N2 O12 -","- C14 H6 Fe2 N2 O12 -","1","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","","0.71073","MoKα","","0.0596","0.0586","","","0.1285","0.129","","","","","","0.954","","","","has coordinates","220146","2020-10-21","18:00:00",""
"4515000","11.4431","0.0004","21.738","0.0006","7.4572","0.0003","90","","89.899","0.003","90","","1854.98","0.11","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0472","0.0341","","","0.0786","0.0855","","","","","","1.08","","","","has coordinates","220148","2020-10-21","18:00:00",""
"4515001","9.2253","0.0003","15.0663","0.0004","18.0574","0.0011","90","","90","","90","","2509.82","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag2 I4 N4 -","- C18 H22 Ag2 I4 N4 -","- C72 H88 Ag8 I16 N16 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0538","0.0402","","","0.0517","0.0556","","","","","","0.986","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515002","22.6146","0.0004","11.5003","0.0002","23.0399","0.0004","90","","94.5111","0.0016","90","","5973.53","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ag7 I11 N8 -","- C36 H44 Ag7 I11 N8 -","- C144 H176 Ag28 I44 N32 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0995","0.0686","","","0.1745","0.1984","","","","","","1.032","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515003","11.5869","0.0003","13.6244","0.0008","17.7757","0.0006","70.132","0.005","80.175","0.003","75.172","0.004","2540.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 Ag3 I7 N9 -","- C38 H47 Ag3 I7 N9 -","- C76 H94 Ag6 I14 N18 -","2","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0747","0.0405","","","0.0651","0.0683","","","","","","1.002","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515004","11.8609","0.0005","12.0302","0.0006","12.3115","0.0005","118.515","0.005","101.244","0.004","106.977","0.004","1354.45","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","1","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.06","0.0431","","","0.0939","0.1027","","","","","","1.026","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515005","9.9688","0.0006","11.3087","0.0008","14.0156","0.0011","106.012","0.007","102.632","0.006","104.851","0.006","1395","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","1","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.1017","0.0526","","","0.0876","0.1091","","","","","","1.001","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515006","10.4446","0.0006","22.4097","0.001","12.5907","0.0007","90","","114.216","0.007","90","","2687.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C72 H88 Bi4 I20 N16 -","2","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0797","0.0523","","","0.0958","0.1094","","","","","","1.018","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515007","9.8915","0.0008","22.0721","0.0012","12.3769","0.0013","90","","104.223","0.008","90","","2619.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Hg2 I8 N8 -","- C36 H40 Hg2 I8 N8 -","- C72 H80 Hg4 I16 N16 -","2","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.1321","0.0636","","","0.129","0.1656","","","","","","1.01","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515008","15.14","0.002","3.903","0.0005","18.3188","0.0017","90","","115.026","0.008","90","","980.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C58 H38 N6 -","2","0.5","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0479","0.0448","","","0.1369","0.1416","","","","","","0.897","","","","has coordinates,has disorder","220150","2020-10-21","18:00:00",""
"4515009","10.7559","0.0008","13.2279","0.001","14.0925","0.0011","90","","90","","90","","2005.1","0.3","298","2","298.45","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0792","0.0574","","","0.1354","0.1535","","","","","","1.088","","","","has coordinates","220151","2020-10-21","18:00:00",""
"4515010","15.16","0.013","3.84","0.003","18.267","0.016","90","","113.337","0.019","90","","976.4","1.4","295","2","295.55","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C56 H36 N8 -","2","0.5","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0686","0.0559","","","0.1622","0.1798","","","","","","1.072","","","","has coordinates","220152","2020-10-21","18:00:00",""
"4515011","8.857","0.0003","10.9599","0.0003","11.6179","0.0004","95.609","0.002","94.007","0.002","91.988","0.002","1118.65","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H17 N2 O8.5 P2 -","- C4 H17 N2 O8.5 P2 -","- C16 H68 N8 O34 P8 -","4","2","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0806","0.0427","","","0.0826","0.0901","","","","","","0.916","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4515012","7.9283","0.0006","8.0672","0.0004","8.2847","0.0005","98.88","0.005","99.85","0.006","97.871","0.006","508.5","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4 H13 Cl N2 O6 P2 -","- C4 H13 Cl N2 O6 P2 -","- C8 H26 Cl2 N4 O12 P4 -","2","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0648","0.0553","","","0.1491","0.1542","","","","","","1.088","","","","has coordinates","220153","2020-10-21","18:00:00",""
"4515013","10.112","0.003","10.087","0.003","12.908","0.003","90","","109.28","0.03","90","","1242.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl2 N2 O3 -","- C6 H18 Cl2 N2 O3 -","- C24 H72 Cl8 N8 O12 -","4","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.1257","0.039","","","0.0601","0.0714","","","","","","0.645","","","","has coordinates,has disorder","220153","2020-10-21","18:00:00",""
"4515014","9.4026","0.0004","10.4466","0.0003","13.9332","0.0005","83.029","0.003","74.675","0.003","73.05","0.003","1261.13","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 N3 O8 P S2 -","- C22 H28 N3 O8 P S2 -","- C44 H56 N6 O16 P2 S4 -","2","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0684","0.0408","","","0.0875","0.0949","","","","","","0.951","","","","has coordinates","220153","2020-10-21","18:00:00",""
"4515015","27.5","0.002","6.4888","0.0005","18.2253","0.0013","90","","116.871","0.004","90","","2901","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl3 Cr N4 O2 -","- C26 H44 Cl3 Cr N4 O2 -","- C104 H176 Cl12 Cr4 N16 O8 -","4","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0775","0.0639","","","0.1361","0.1425","","","","","","1.147","","","","has coordinates","220154","2020-10-21","18:00:00",""
"4515016","9.1893","0.0011","11.7329","0.0014","15.259","0.002","80.745","0.004","73.03","0.004","79.087","0.004","1535.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 B Cl2 Cr F4 N6 O4 -","- C25 H38 B Cl2 Cr F4 N6 O4 -","- C50 H76 B2 Cl4 Cr2 F8 N12 O8 -","2","1","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0762","0.0495","","","0.1204","0.1343","","","","","","1.043","","","","has coordinates","220155","2020-10-21","18:00:00",""
"4515017","12.8928","0.0011","12.8928","0.0011","13.1562","0.0014","90","","90","","120","","1893.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H36 Cl3 Cr N4 -","- C24 H36 Cl3 Cr N4 -","- C72 H108 Cl9 Cr3 N12 -","3","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0574","0.0473","","","0.119","0.125","","","","","","1.058","","","","has coordinates","220156","2020-10-21","18:00:00",""
"4515018","20.5213","0.0011","10.0563","0.0005","16.5578","0.0009","90","","102.033","0.005","90","","3341.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Tang, Ren-Jin; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoit","Direct Amination of Arenes with Azodicarboxylates Catalyzed by Bisulfate Salt/HFIP Association.","ACS omega","2019","4","5","8960","8966","10.1021/acsomega.9b00781","","x-ray","0.71073","MoKα","","0.0943","0.0602","","","0.1436","0.1593","","","","","","1.022","","","","has coordinates,has disorder","220157","2020-10-21","18:00:00",""
"4515019","11.402","0.003","6.1909","0.0018","25.548","0.007","90","","101.426","0.01","90","","1767.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Novak BF317","","","- C10 H7 F6 I O6 S2 -","- C10 H7 F6 I O6 S2 -","- C40 H28 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0338","0.0292","","","0.0834","0.103","","","","","","1.128","","","","has coordinates","220158","2020-10-21","18:00:00",""
"4515020","11.491","0.003","8.9223","0.0019","21.3","0.004","90","","95.394","0.007","90","","2174.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Novak Z","","","- C14 H15 F6 I O6 S2 -","- C14 H15 F6 I O6 S2 -","- C56 H60 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0607","0.0525","","","0.151","0.1594","","","","","","1.004","","","","has coordinates","220158","2020-10-21","18:00:00",""
"4515021","8.105","0.002","12.148","0.004","12.29","0.004","89.296","0.011","82.761","0.011","84.798","0.01","1195.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Novák Z BF291","","","- C16 H19 F6 I O6 S2 -","- C16 H19 F6 I O6 S2 -","- C32 H38 F12 I2 O12 S4 -","2","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0754","0.0605","","","0.1413","0.1703","","","","","","1.259","","","","has coordinates","220158","2020-10-21","18:00:00",""
"4515022","8.0462","0.0004","10.4191","0.0005","11.8606","0.0005","72.625","0.001","85.102","0.002","89.061","0.002","945.44","0.08","298","0.1","298","0.1","","","","","","","","7","P -1","-P 1","2","Novak","","","- C11 H8 Br F6 I O6 S2 -","- C11 H8 Br F6 I O6 S2 -","- C22 H16 Br2 F12 I2 O12 S4 -","2","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0305","0.0265","","","0.0678","0.0708","","","","","","0.997","","","","has coordinates","220158","2020-10-21","18:00:00",""
"4515023","10.9954","0.0003","8.8851","0.0003","22.5828","0.0008","90","","98.553","0.001","90","","2181.7","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Novak","","","- C16 H11 F6 I O6 S2 -","- C16 H11 F6 I O6 S2 -","- C64 H44 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0516","0.0469","","","0.1387","0.144","","","","","","1.063","","","","has coordinates","220158","2020-10-21","18:00:00",""
"4515024","6.315","0.0003","11.1616","0.0004","32.294","0.0016","90","","93.415","0.002","90","","2272.22","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Novak","","","- C17 H13 F6 I O6 S2 -","- C17 H13 F6 I O6 S2 -","- C68 H52 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0848","0.0673","","","0.1699","0.183","","","","","","1.048","","","","has coordinates","220158","2020-10-21","18:00:00",""
"4515025","9.3164","0.0002","7.3274","0.0002","10.8064","0.0003","90","","111.175","0.001","90","","687.89","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl2 O2 Pd2 S2 -","- C6 H18 Cl2 O2 Pd2 S2 -","- C12 H36 Cl4 O4 Pd4 S4 -","2","0.5","","Deshmukh, Satej S.; Gaikwad, Shahaji R.; Mote, Nilesh R.; M, Manod; Gonnade, Rajesh G.; Chikkali, Samir H.","Neutral Imino-Methyl Benzenesulfonate-Ligated Pd(II) Complexes and Implications in Ethylene Polymerization.","ACS omega","2019","4","5","9502","9511","10.1021/acsomega.9b00709","","","0.71073","MoKα","","0.0161","0.0158","","","0.0375","0.0376","","","","","","1.269","","","","has coordinates","220159","2020-10-21","18:00:00",""
"4515026","50.994","0.007","50.994","0.007","12.034","0.002","90","","90","","120","","27101","7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C174 H258 B9 N9 -","- C116.5 H120 B9 N9 -","- C699 H720 B54 N54 -","6","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1454","0.1044","","","0.251","0.2857","","","","","","1.016","","","","has coordinates,has disorder","220160","2020-10-21","18:00:00",""
"4515027","21.268","0.004","14.952","0.003","22.475","0.005","90","","90","","90","","7147","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H90 B6 N6 -","- C84 H90 B6 N6 -","- C336 H360 B24 N24 -","4","0.5","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0539","0.0496","","","0.1429","0.1474","","","","","","1.03","","","","has coordinates","220161","2020-10-21","18:00:00",""
"4515028","18.861","0.004","22.39","0.004","14.82","0.003","90","","104.44","0.03","90","","6061","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B6 N6 O -","- C70 H70 B6 N6 O -","- C280 H280 B24 N24 O4 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.176","0.072","","","0.1693","0.2255","","","","","","0.983","","","","has coordinates","220162","2020-10-21","18:00:00",""
"4515029","12.091","0.002","21.639","0.004","13.768","0.003","90","","101.26","0.03","90","","3532.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 B3 N3 -","- C42 H42 B3 N3 -","- C168 H168 B12 N12 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0325","0.0325","","","0.0898","0.0899","","","","","","1.039","","","","has coordinates","220163","2020-10-21","18:00:00",""
"4515030","11.35","0.002","16.679","0.003","32.207","0.006","90","","99.29","0.03","90","","6017","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B6 N6 O -","- C70 H70 B6 N6 O -","- C280 H280 B24 N24 O4 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1497","0.0675","","","0.1453","0.1813","","","","","","1.007","","","","has coordinates","220164","2020-10-21","18:00:00",""
"4515031","12.472","0.003","15.108","0.003","19.725","0.004","80.08","0.03","75.32","0.03","68.48","0.03","3331.7","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H78 B6 N6 -","- C78 H78 B6 N6 -","- C156 H156 B12 N12 -","2","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0729","0.0615","","","0.1748","0.1866","","","","","","1.067","","","","has coordinates,has disorder","220165","2020-10-21","18:00:00",""
"4515032","12.3474","0.0007","19.7123","0.001","13.7256","0.0006","90","","99.325","0.002","90","","3296.6","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 F12 N6 O P2 -","- C54 H74 F12 N6 O P2 -","- C108 H148 F24 N12 O2 P4 -","2","0.5","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0952","0.0829","","","0.2153","0.2246","","","","","","1.121","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515033","19.8012","0.0013","12.6035","0.0009","26.5305","0.0019","90","","105.7","0.0018","90","","6374.1","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H85 F12 N7 O3 P2 -","- C59 H85 F12 N7 O3 P2 -","- C236 H340 F48 N28 O12 P8 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0963","0.0619","","","0.1362","0.1552","","","","","","1.015","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515034","11.0352","0.0002","12.3798","0.0002","24.369","0.0004","81.385","0.001","89.281","0.001","65.535","0.001","2991.51","0.09","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 F12 N8 P2 -","- C56 H78 F12 N8 P2 -","- C112 H156 F24 N16 P4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0642","0.0443","","","0.1131","0.1226","","","","","","1.056","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515035","15.0178","0.0009","15.1067","0.0009","18.2934","0.001","76.729","0.003","69.064","0.003","65.711","0.003","3516.4","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H90 Cl6 F6 Ir N6 O P -","- C65 H90 Cl6 F6 Ir N6 O P -","- C130 H180 Cl12 F12 Ir2 N12 O2 P2 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.032","0.0264","","","0.0658","0.0687","","","","","","1.071","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515036","21.5202","0.0011","10.7072","0.0005","24.894","0.0013","90","","105.722","0.002","90","","5521.5","0.5","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C56 H72 F6 N6 O3 P Rh -","- C56 H72 F6 N6 O3 P Rh -","- C224 H288 F24 N24 O12 P4 Rh4 -","4","2","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0399","0.0313","","","0.0617","0.0643","","","","","","1.038","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515037","21.527","0.003","10.6934","0.0014","24.942","0.003","90","","105.386","0.009","90","","5535.8","1.3","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F6 Ir N6 O3 P -","- C56 H72 F6 Ir N6 O3 P -","- C224 H288 F24 Ir4 N24 O12 P4 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.3107","0.0895","","","0.1416","0.1964","","","","","","0.852","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515038","15.413","0.0008","35.913","0.002","15.0642","0.0008","90","","111.613","0.001","90","","7752.2","0.7","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H98 Cl4 N6 O Rh2 -","- C71 H98 Cl4 N6 O Rh2 -","- C284 H392 Cl16 N24 O4 Rh8 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0512","0.0411","","","0.0925","0.0968","","","","","","1.086","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515039","10.4449","0.0004","15.9061","0.0006","17.7631","0.0007","87.305","0.002","76.657","0.002","88.373","0.002","2867.81","0.19","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Cl2 N6 O5 Rh2 -","- C58 H72 Cl2 N6 O5 Rh2 -","- C116 H144 Cl4 N12 O10 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1187","0.0568","","","0.1161","0.1402","","","","","","1.023","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515040","12.4173","0.0011","16.7357","0.0016","20.3867","0.0018","81.88","0.006","85.642","0.006","86.607","0.006","4177","0.7","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H102 Cl6 F6 N7 P Rh2 -","- C73 H102 Cl6 F6 N7 P Rh2 -","- C146 H204 Cl12 F12 N14 P2 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1569","0.104","","","0.2426","0.2779","","","","","","1.141","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515041","12.0336","0.0007","13.6319","0.0009","22.5444","0.0015","96.465","0.005","104.14","0.004","97.574","0.004","3514.3","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H77 Cl4 F6 Ir N7 O2 P -","- C58 H77 Cl4 F6 Ir N7 O2 P -","- C116 H154 Cl8 F12 Ir2 N14 O4 P2 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1228","0.077","","","0.1664","0.1845","","","","","","0.995","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515042","10.7323","0.0018","13.222","0.002","21.491","0.003","82.115","0.003","78.984","0.004","86.235","0.003","2962.7","0.8","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H72 Cl N7 O3 Rh2 -","- C57 H72 Cl N7 O3 Rh2 -","- C114 H144 Cl2 N14 O6 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1589","0.0758","","","0.1867","0.2273","","","","","","0.96","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515043","7.2398","0.0018","8.637","0.002","16.178","0.005","90","","90","","90","","1011.6","0.5","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 Cl N O2 S -","- C8 H16 Cl N O2 S -","- C32 H64 Cl4 N4 O8 S4 -","4","1","","Melnykov, Kostiantyn P.; Artemenko, Artem N.; Ivanenko, Bohdan O.; Sokolenko, Yevhenii M.; Nosik, Pavel S.; Ostapchuk, Eugeniy N.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Scalable Synthesis of Biologically Relevant Spirocyclic Pyrrolidines.","ACS omega","2019","4","4","7498","7515","10.1021/acsomega.9b00896","","","0.71073","MoKα","","0.045","0.0363","","","0.0801","0.084","","","","","","1.061","","","","has coordinates","220167","2020-10-21","18:00:00",""
"4515044","3.7495","0.0008","12.724","0.002","11.322","0.0018","90","","93.668","0.005","90","","539.05","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl Cu N -","- C5 H4 Cl Cu N -","- C20 H16 Cl4 Cu4 N4 -","4","1","","Ahamad, M. Naqi; Shahid, M.; Ahmad, Musheer; Sama, Farasha","Cu(II) MOFs Based on Bipyridyls: Topology, Magnetism, and Exploring Sensing Ability toward Multiple Nitroaromatic Explosives.","ACS omega","2019","4","4","7738","7749","10.1021/acsomega.9b00715","","","0.71073","MoKα","","0.0957","0.058","","","0.0905","0.1061","","","","","","1.11","","","","has coordinates","220168","2020-10-21","18:00:00",""
"4515045","22.193","0.004","18.278","0.003","34.743","0.006","90","","96.765","0.003","90","","13995","4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H120 Au8 Cl3 Cu2 P8 Pd -","- C144 H120 Au8.316 Cl3 Cu1.684 P8 Pd -","- C576 H480 Au33.264 Cl12 Cu6.736 P32 Pd4 -","4","1","","Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya","Synthesis of Trimetallic (HPd@M<sub>2</sub>Au<sub>8</sub>)<sup>3+</sup> Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au<sub>8</sub>)<sup>2</sup>.","ACS omega","2019","4","4","7070","7075","10.1021/acsomega.9b00575","","","0.71075","MoKα","","0.1177","0.1013","","","0.1717","0.1788","","","","","","1.244","","","","has coordinates,has disorder","220169","2020-10-21","18:00:00",""
"4515046","22.158","0.003","18.75","0.002","34.486","0.005","90","","97.785","0.003","90","","14196","3","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C150 H134 Ag2 Au8 Cl2 O P8 Pd -","- C150 H134 Ag2 Au8 Cl2 O P8 Pd -","- C600 H536 Ag8 Au32 Cl8 O4 P32 Pd4 -","4","1","","Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya","Synthesis of Trimetallic (HPd@M<sub>2</sub>Au<sub>8</sub>)<sup>3+</sup> Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au<sub>8</sub>)<sup>2</sup>.","ACS omega","2019","4","4","7070","7075","10.1021/acsomega.9b00575","","","0.71075","MoKα","","0.0965","0.0899","","","0.1626","0.1656","","","","","","1.283","","","","has coordinates","220170","2020-10-21","18:00:00",""
"4515047","7.331","0.002","8.111","0.002","14.229","0.004","92.899","0.003","101.046","0.003","105.36","0.003","796.1","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O S -","- C18 H12 Cl2 N2 O S -","- C36 H24 Cl4 N4 O2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0352","0.0303","","","0.0763","0.0791","","","","","","1.061","","","","has coordinates","220171","2020-10-21","18:00:00",""
"4515048","39.025","0.002","6.8024","0.0004","17.5294","0.0009","90","","115.896","0.002","90","","4186.2","0.4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 N2 O Ru S -","- C20 H16 Cl4 N2 O Ru S -","- C160 H128 Cl32 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0543","0.0331","","","0.0515","0.056","","","","","","1.044","","","","has coordinates","220172","2020-10-21","18:00:00",""
"4515049","7.918","0.003","13.73","0.005","14.053","0.005","108.379","0.004","90.953","0.004","101.229","0.004","1417.1","0.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C56 H40 Cl8 N8 O4 S4 -","4","2","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0561","0.043","","","0.112","0.1199","","","","","","1.041","","","","has coordinates,has disorder","220173","2020-10-21","18:00:00",""
"4515050","29.863","0.004","11.7859","0.0016","13.9091","0.0019","90","","95.522","0.001","90","","4872.8","1.1","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Cl2 N2 O Ru S -","- C25 H28 Cl2 N2 O Ru S -","- C200 H224 Cl16 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0257","0.0229","","","0.0531","0.0543","","","","","","1.07","","","","has coordinates","220174","2020-10-21","18:00:00",""
"4515051","9.5","0.003","10.392","0.004","12.824","0.004","83.576","0.003","89.925","0.003","83.78","0.004","1250.6","0.7","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl4 N2 O Ru S -","- C24 H24 Cl4 N2 O Ru S -","- C48 H48 Cl8 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0281","0.0239","","","0.0546","0.0565","","","","","","1.025","","","","has coordinates","220175","2020-10-21","18:00:00",""
"4515052","6.6357","0.0003","11.8488","0.0005","15.8163","0.0007","87.1","0.001","79.512","0.001","77.67","0.001","1194.49","0.09","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl4 N2 O Ru S -","- C24 H18 Cl4 N2 O Ru S -","- C48 H36 Cl8 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.052","0.0341","","","0.0577","0.0617","","","","","","1.052","","","","has coordinates,has disorder","220176","2020-10-21","18:00:00",""
"4515053","9.5499","0.0006","11.1471","0.0006","12.2998","0.0007","84.351","0.002","82.004","0.002","82.92","0.002","1282.33","0.13","144","","144","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O Ru S -","- C28 H28 Cl2 N2 O Ru S -","- C56 H56 Cl4 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","1.54178","CuKα","","0.0271","0.0256","","","0.063","0.0638","","","","","","1.088","","","","has coordinates,has disorder","220177","2020-10-21","18:00:00",""
"4515054","7.2408","0.0002","24.7912","0.0006","8.5046","0.0002","90","","109.173","0.002","90","","1441.96","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_CNA_27_10_13","","","- C15 H12 Cl N5 -","- C15 H12 Cl N5 -","- C60 H48 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","1.54178","CuKα","","0.0574","0.0439","","","0.1185","0.1283","","","","","","1.019","","","","has coordinates","220178","2020-10-21","18:00:00",""
"4515055","7.1549","0.0012","15.769","0.003","19.04","0.004","66.725","0.005","83.623","0.006","82.812","0.006","1953.4","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl N4 O4 -","- C20 H17 Cl N4 O4 -","- C80 H68 Cl4 N16 O16 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0927","","","","0.2481","","","","","","0.992","","","","has coordinates","220179","2020-10-21","18:00:00",""
"4515056","11.135","0.002","8.106","0.0014","22.476","0.004","90","","97.338","0.009","90","","2012.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GH9_260813","","","- C19 H19 N5 O5 S -","- C19 H19 N5 O5 S -","- C76 H76 N20 O20 S4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","1.54178","CuKα","","0.1443","0.0628","","","0.1888","0.2221","","","","","","1.125","","","","has coordinates,has disorder","220180","2020-10-21","18:00:00",""
"4515057","11.251","0.002","10.0262","0.0018","17.905","0.004","90","","90.013","0.007","90","","2019.8","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0518","","","","0.1411","","","","","","0.874","","","","has coordinates","220181","2020-10-21","18:00:00",""
"4515058","14.5029","0.0011","19.4679","0.0018","7.1357","0.0007","90","","97.882","0.006","90","","1995.7","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N5 O6 -","- C20 H17 N5 O6 -","- C80 H68 N20 O24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0822","","","","0.2807","","","","","","0.984","","","","has coordinates","220182","2020-10-21","18:00:00",""
"4515059","6.54","0.0004","10.7434","0.0006","13.3014","0.0009","90.105","0.005","92.035","0.005","100.717","0.006","917.67","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Tb -","- C7 H15 N8 O13 Tb -","- C14 H30 N16 O26 Tb2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.03","0.028","","","0.0753","0.0764","","","","","","1.019","","","","has coordinates","220183","2020-10-21","18:00:00",""
"4515060","6.5414","0.0011","10.746","0.002","13.302","0.003","89.926","0.006","87.641","0.006","79.309","0.005","918","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Gd N8 O13 -","- C7 H15 Gd N8 O13 -","- C14 H30 Gd2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0169","0.0153","","","0.0367","0.0369","","","","","","1.04","","","","has coordinates","220184","2020-10-21","18:00:00",""
"4515061","6.5293","0.0004","10.7441","0.0004","13.2901","0.0007","89.987","0.004","87.86","0.005","79.349","0.005","915.6","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Dy N8 O13 -","- C7 H15 Dy N8 O13 -","- C14 H30 Dy2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0455","0.0423","","","0.1025","0.1057","","","","","","1.052","","","","has coordinates","220185","2020-10-21","18:00:00",""
"4515062","6.6352","0.0018","10.771","0.003","13.383","0.004","89.809","0.009","87.715","0.001","79.028","0.008","938.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Pr -","- C7 H15 N8 O13 Pr -","- C14 H30 N16 O26 Pr2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0183","0.0169","","","0.0435","0.0438","","","","","","1.017","","","","has coordinates","220186","2020-10-21","18:00:00",""
"4515063","6.6949","0.0018","10.801","0.003","13.373","0.004","89.381","0.012","87.634","0.012","78.951","0.009","948.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 La N8 O13 -","- C7 H15 La N8 O13 -","- C14 H30 La2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0361","0.0256","","","0.0523","0.0546","","","","","","1.005","","","","has coordinates","220187","2020-10-21","18:00:00",""
"4515064","6.6163","0.0014","10.768","0.002","13.358","0.003","89.828","0.006","87.666","0.007","79.148","0.007","933.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 Nd O13 -","- C7 H15 N8 Nd O13 -","- C14 H30 N16 Nd2 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0175","0.0158","","","0.0406","0.0409","","","","","","1.03","","","","has coordinates","220188","2020-10-21","18:00:00",""
"4515065","6.507","0.002","10.749","0.004","13.233","0.005","89.915","0.008","92.101","0.009","100.542","0.009","909.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Ho N8 O13 -","- C7 H15 Ho N8 O13 -","- C14 H30 Ho2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0267","0.0221","","","0.0516","0.0522","","","","","","1.017","","","","has coordinates","220189","2020-10-21","18:00:00",""
"4515066","6.492","0.002","10.677","0.004","13.198","0.004","89.934","0.014","88.747","0.012","79.811","0.009","900.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Tm -","- C7 H15 N8 O13 Tm -","- C14 H30 N16 O26 Tm2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0217","0.0198","","","0.0516","0.0521","","","","","","1.041","","","","has coordinates","220190","2020-10-21","18:00:00",""
"4515067","6.5889","0.0012","10.7457","0.0018","13.331","0.003","89.981","0.007","87.66","0.006","79.088","0.005","926","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Sm -","- C7 H15 N8 O13 Sm -","- C14 H30 N16 O26 Sm2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0182","0.016","","","0.0438","0.0541","","","","","","1.021","","","","has coordinates","220191","2020-10-21","18:00:00",""
"4515068","6.6647","0.0017","10.779","0.003","13.427","0.004","89.627","0.011","87.911","0.012","79.002","0.009","946.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Ce N8 O13 -","- C7 H15 Ce N8 O13 -","- C14 H30 Ce2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0191","0.0176","","","0.0455","0.0459","","","","","","1.019","","","","has coordinates","220192","2020-10-21","18:00:00",""
"4515069","6.4767","0.0015","10.689","0.003","13.198","0.003","89.954","0.009","88.851","0.001","80.06","0.007","899.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Yb -","- C7 H15 N8 O13 Yb -","- C14 H30 N16 O26 Yb2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0234","0.0217","","","0.0581","0.0586","","","","","","1.03","","","","has coordinates","220193","2020-10-21","18:00:00",""
"4515070","6.46876","0.00014","10.6226","0.0003","13.1883","0.0003","89.9898","0.0019","90.8464","0.0017","99.7577","0.0019","893.02","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Lu N8 O13 -","- C7 H15 Lu N8 O13 -","- C14 H30 Lu2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0178","0.0156","","","0.0387","0.0398","","","","","","1.015","","","","has coordinates","220194","2020-10-21","18:00:00",""
"4515071","6.494","0.002","10.707","0.004","13.268","0.004","89.871","0.007","91.813","0.007","100.248","0.009","907.4","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Er N8 O13 -","- C7 H15 Er N8 O13 -","- C14 H30 Er2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0222","0.0205","","","0.0538","0.0542","","","","","","1.056","","","","has coordinates","220195","2020-10-21","18:00:00",""
"4515072","6.5602","0.0002","10.7447","0.0003","13.3143","0.0004","89.977","0.002","87.647","0.003","79.155","0.003","920.93","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Eu N8 O13 -","- C7 H15 Eu N8 O13 -","- C14 H30 Eu2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","x-ray","0.71073","MoKα","","0.0223","0.0203","","","0.0573","0.0655","","","","","","1.035","","","","has coordinates","220196","2020-10-21","18:00:00",""
"4515073","6.5684","0.0011","17.59","0.003","33.828","0.005","90","","90","","90","","3908.4","1.1","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.1215","0.1104","","","0.2752","0.2805","","","","","","1.112","","","","has coordinates","220197","2020-10-21","18:00:00",""
"4515074","5.0624","0.0006","12.238","0.0015","21.83","0.003","90","","90","","90","","1352.4","0.3","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0449","0.0368","","","0.0732","0.076","","","","","","1.077","","","","has coordinates","220198","2020-10-21","18:00:00",""
"4515075","5.0732","0.0002","12.2596","0.0007","21.8597","0.0012","90","","90","","90","","1359.57","0.12","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0261","0.0234","","","0.0564","0.0576","","","","","","1.095","","","","has coordinates","220199","2020-10-21","18:00:00",""
"4515076","6.5975","0.0007","17.636","0.002","33.817","0.004","90","","90","","90","","3934.7","0.8","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.105","0.1083","","","","","","1.09","","","","has coordinates","220200","2020-10-21","18:00:00",""
"4515077","12.027","0.004","11.987","0.004","13.744","0.005","96.47","0.02","113.825","0.019","97.42","0.02","1767.5","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O4 -","- C40 H48 N4 O4 -","- C80 H96 N8 O8 -","2","1","","Roy, Ankita; Shee, Uday; Mukherjee, Abhishek; Mandal, Sushil Kumar; Roy, Partha","Rhodamine-Based Dual Chemosensor for Al3+ and Zn2+ Ions with Distinctly Separated Excitation and Emission Wavelengths","ACS Omega","2019","4","4","6864","","10.1021/acsomega.9b00475","","","0.71073","MoKα","","0.1114","0.0734","","","0.188","0.2146","","","","","","0.967","","","","has coordinates","220201","2020-10-21","18:00:00",""
"4515078","17.1182","0.0019","15.1767","0.0017","30.383","0.003","90","","99.899","0.001","90","","7775.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H58 F18 N6 -","- C97.987 H57.988 F17.997 N6 -","- C391.948 H231.952 F71.988 N24 -","4","1","","Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik","Azulicorrole","ACS Omega","2019","4","4","6737","","10.1021/acsomega.9b00275","","","0.7288","synchrotron","","0.0835","0.063","","","0.1758","0.1895","","","","","","1.054","","","","has coordinates,has disorder","220202","2020-10-21","18:00:00",""
"4515079","17.593","0.0012","18.0587","0.0012","11.9975","0.0008","90","","96.358","0.002","90","","3788.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H27 Cu F9 N3 -","- C49.5 H27 Cu F9 N3 -","- C198 H108 Cu4 F36 N12 -","4","1","","Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik","Azulicorrole","ACS Omega","2019","4","4","6737","","10.1021/acsomega.9b00275","","","0.7288","synchrotron","","0.0516","0.0425","","","0.108","0.1159","","","","","","1.028","","","","has coordinates,has disorder","220203","2020-10-21","18:00:00",""
"4515080","12.2079","0.0008","9.6867","0.0006","21.9929","0.0015","90","","95.115","0.003","90","","2590.4","0.3","298.01","","298.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N3 O4 S -","- C28 H24 Cl N3 O4 S -","- C112 H96 Cl4 N12 O16 S4 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Kong, Ling-Bin; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of 1,1-Enediamines with 2-Benzylidene-1<i>H</i>-indene-1,3(2<i>H</i>)-diones: Selective Synthesis of Indenodihydropyridine and Indenopyridine Compounds.","ACS omega","2019","4","4","6637","6646","10.1021/acsomega.9b00407","","","0.71073","MoKα","","0.1035","0.057","","","0.1404","0.1686","","","","","","1.025","","","","has coordinates","220204","2020-10-21","18:00:00",""
"4515081","6.6018","0.0003","9.9118","0.0004","13.6939","0.0007","91.381","0.003","101.462","0.002","93.177","0.002","876.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl N5 O8 -","- C14 H16 Cl N5 O8 -","- C28 H32 Cl2 N10 O16 -","2","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0417","0.0367","","","0.0929","0.0973","","","","","","1.033","","","","has coordinates","220205","2020-10-21","18:00:00",""
"4515082","7.8612","0.0004","8.4861","0.0004","23.2316","0.0012","90","","98.556","0.003","90","","1532.55","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 -","- C14 H14 Cl N5 O3 -","- C56 H56 Cl4 N20 O12 -","4","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0511","0.0445","","","0.1136","0.1184","","","","","","1.087","","","","has coordinates","220206","2020-10-21","18:00:00",""
"4515083","7.2927","0.0007","9.1776","0.001","11.1631","0.0011","77.182","0.006","88.271","0.007","82.163","0.007","721.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Br N5 O2 -","- C14 H12 Br N5 O2 -","- C28 H24 Br2 N10 O4 -","2","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0795","0.0643","","","0.1544","0.1626","","","","","","1.094","","","","has coordinates","220207","2020-10-21","18:00:00",""
"4515084","10.5314","0.0006","10.6302","0.0006","13.7164","0.0008","102.443","0.003","98.834","0.003","114.216","0.002","1316.11","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C52 H72 N12 O8 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1164","0.0749","","","0.184","0.2198","","","","","","1.034","","","","has coordinates","220208","2020-10-21","18:00:00",""
"4515085","18.849","0.01","7.488","0.004","19.139","0.01","90","","97.82","0.02","90","","2676","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0636","0.0496","","","0.1448","0.1567","","","","","","1.061","","","","has coordinates","220209","2020-10-21","18:00:00",""
"4515086","6.1907","0.0018","11.075","0.003","19.618","0.005","90","","97.051","0.014","90","","1334.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C48 H60 Br4 N12 O8 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0836","0.0474","","","0.1092","0.1241","","","","","","1.02","","","","has coordinates","220210","2020-10-21","18:00:00",""
"4515087","8.0121","0.0003","12.7977","0.0005","13.391","0.0005","90","","106.269","0.001","90","","1318.08","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C48 H60 Br4 N12 O8 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0515","0.0387","","","0.0952","0.1021","","","","","","1.044","","","","has coordinates","220211","2020-10-21","18:00:00",""
"4515088","6.6988","0.0019","34.935","0.009","11.682","0.003","90","","91.942","0.01","90","","2732.3","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C96 H120 Br8 N24 O16 -","8","4","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1808","0.0782","","","0.167","0.2064","","","","","","0.975","","","","has coordinates","220212","2020-10-21","18:00:00",""
"4515089","19.826","0.005","7.239","0.0018","41.11","0.01","90","","90","","90","","5900","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1763","0.0783","","","0.1552","0.1933","","","","","","1.026","","","","has coordinates,has disorder","220213","2020-10-21","18:00:00",""
"4515090","15.7802","0.0006","12.5818","0.0005","15.4138","0.0007","90","","108.634","0.001","90","","2899.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C92 H80 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0558","0.0338","","","0.0808","0.0904","","","","","","1.023","","","","has coordinates,has disorder","220214","2020-10-21","18:00:00",""
"4515091","20.839","0.004","9.6376","0.0018","28.997","0.006","90","","90","","90","","5824","2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1193","0.0689","","","0.1484","0.1772","","","","","","1.063","","","","has coordinates,has disorder","220215","2020-10-21","18:00:00",""
"4515092","13.3237","0.0014","15.1782","0.0016","15.7765","0.0016","101.254","0.003","103.824","0.003","112.546","0.003","2711.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11.5 Cu1.25 F15 N1.5 O6 -","- C19 H11.5 Cu1.25 F15 N1.5 O6 -","- C76 H46 Cu5 F60 N6 O24 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0893","0.0416","","","0.0858","0.1025","","","","","","1.016","","","","has coordinates,has disorder","220216","2020-10-21","18:00:00",""
"4515093","11.341","0.002","14.706","0.003","15.816","0.004","62.409","0.006","85.136","0.006","88.528","0.007","2329.1","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H12 Cu F12 N1.5 O5.5 -","- C16.5 H12 Cu F12 N1.5 O5.5 -","- C66 H48 Cu4 F48 N6 O22 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.078","0.0565","","","0.1434","0.1595","","","","","","1.039","","","","has coordinates,has disorder","220217","2020-10-21","18:00:00",""
"4515094","13.9711","0.0006","15.4799","0.0006","18.0186","0.0007","68.177","0.001","68.509","0.001","87.947","0.001","3343.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H20.5 Cu1.25 F15 N3 O7 -","- C25.5 H20.5 Cu1.25 F15 N3 O7 -","- C102 H82 Cu5 F60 N12 O28 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1744","0.0749","","","0.112","0.1373","","","","","","1.087","","","","has coordinates,has disorder","220218","2020-10-21","18:00:00",""
"4515095","13.4398","0.0015","11.7195","0.0013","18.904","0.002","90","","103.776","0.002","90","","2891.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C88 H68 Br4 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0963","0.0488","","","0.0902","0.1104","","","","","","1.081","","","","has coordinates,has disorder","220219","2020-10-21","18:00:00",""
"4515096","10.718","0.005","10.821","0.005","13.907","0.007","81.07","0.03","74.4","0.03","72.74","0.03","1478.6","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C44 H34 Br2 Cu2 F24 N6 O12 -","2","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0636","0.047","","","0.1074","0.119","","","","","","1.021","","","","has coordinates,has disorder","220220","2020-10-21","18:00:00",""
"4515097","9.4928","0.0004","12.2972","0.0005","13.3902","0.0005","82.71","0.001","84.069","0.001","87.204","0.001","1541.16","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 Br2 Cu2 F24 N6 O14 -","- C44 H38 Br2 Cu2 F24 N6 O14 -","- C44 H38 Br2 Cu2 F24 N6 O14 -","1","0.5","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1331","0.052","","","0.1029","0.1364","","","","","","1.004","","","","has coordinates,has disorder","220221","2020-10-21","18:00:00",""
"4515098","11.817","0.0018","12.746","0.002","13.058","0.002","75.169","0.007","79.992","0.007","89.769","0.007","1870.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H9 Br0.5 Cu0.75 F9 N1.5 O4 -","- C13.5 H9 Br0.5 Cu0.75 F9 N1.5 O4 -","- C54 H36 Br2 Cu3 F36 N6 O16 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0609","0.0364","","","0.0836","0.0945","","","","","","1.011","","","","has coordinates,has disorder","220222","2020-10-21","18:00:00",""
"4515099","15.772","0.002","12.6309","0.0017","15.211","0.002","90","","108.159","0.004","90","","2879.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C88 H68 Br4 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0748","0.0428","","","0.0836","0.0948","","","","","","1.062","","","","has coordinates,has disorder","220223","2020-10-21","18:00:00",""
"4515100","9.516","0.001","13.5","0.0016","15.4847","0.0017","97.09","0.007","95.62","0.007","96.47","0.007","1948.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H10 Br0.5 Cu0.75 F9 N1.5 O4.5 -","- C13.5 H10 Br0.5 Cu0.75 F9 N1.5 O4.5 -","- C54 H40 Br2 Cu3 F36 N6 O18 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.2149","0.1116","","","0.2987","0.3638","","","","","","1.092","","","","has coordinates,has disorder","220225","2020-10-21","18:00:00",""
"4515101","12.5858","0.0006","20.917","0.0009","14.6932","0.0006","90","","100.695","0.001","90","","3800.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H60 N16 Ni2 O18 S4 -","- C80 H60 N16 Ni2 O18 S4 -","- C160 H120 N32 Ni4 O36 S8 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0717","0.0447","","","0.0628","0.0699","","","","","","1","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515102","20.9052","0.0014","24.2857","0.0017","9.8558","0.0007","90","","90","","90","","5003.8","0.6","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N4 Ni O9 S -","- C24 H22 N4 Ni O9 S -","- C192 H176 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0495","0.0326","","","0.0724","0.0788","","","","","","1.022","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515103","21.5233","0.0018","24.378","0.002","10.1884","0.0009","90","","90","","90","","5345.8","0.8","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C25 H24 N4 Ni O9 S -","- C25 H24 N4 Ni O9 S -","- C200 H192 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0398","0.032","","","0.0802","0.0851","","","","","","1.035","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515104","10.167","0.0018","15.932","0.003","15.588","0.003","90","","105.585","0.003","90","","2432.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N5 Ni O9 S -","- C24 H17 N5 Ni O9 S -","- C96 H68 N20 Ni4 O36 S4 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0965","0.0583","","","0.1207","0.1355","","","","","","1.056","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515105","19.5397","0.0012","7.763","0.0005","16.0231","0.001","90","","108.024","0.001","90","","2311.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 Ni O8 S -","- C24 H21 N5 Ni O8 S -","- C96 H84 N20 Ni4 O32 S4 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0558","0.0362","","","0.079","0.0866","","","","","","1.006","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515106","10.0807","0.0004","24.8681","0.0011","20.3417","0.0009","90","","98.854","0.001","90","","5038.7","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 N9 Ni2 O17 S2 -","- C45 H47 N9 Ni2 O17 S2 -","- C180 H188 N36 Ni8 O68 S8 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0798","0.0523","","","0.1379","0.1525","","","","","","1.054","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515107","10.0122","0.001","11.9884","0.0011","12.1481","0.0012","89.688","0.002","66.634","0.002","85.591","0.002","1334.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu N4 O9 S -","- C25 H24 Cu N4 O9 S -","- C50 H48 Cu2 N8 O18 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.115","0.0582","","","0.1017","0.1188","","","","","","1.019","","","","has coordinates,has disorder","220226","2020-10-21","18:00:00",""
"4515108","9.785","0.0009","9.9253","0.0009","13.5265","0.0012","91.391","0.002","109.448","0.002","106.198","0.002","1179.56","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19.5 Cu N5 O7.25 S -","- C24 H19.5 Cu N5 O7.25 S -","- C48 H39 Cu2 N10 O14.5 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0636","0.0436","","","0.1035","0.1126","","","","","","1.028","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515109","9.5351","0.0007","10.0206","0.0007","13.5083","0.0009","82.07","0.001","77.035","0.002","66.975","0.001","1155.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cu N4 O8 S -","- C25 H16 Cu N4 O8 S -","- C50 H32 Cu2 N8 O16 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0683","0.0473","","","0.1135","0.1242","","","","","","1.034","","","","has coordinates,has disorder","220226","2020-10-21","18:00:00",""
"4515110","24.128","0.0006","20.9554","0.0005","21.3904","0.0005","90","","90","","90","","10815.2","0.5","100","2","99.99","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","9-[3'-(trifluoroborato)phenyl)]-10-(4""-octyloxyphenyl)acridinium","","- C33 H33 B F3 N O -","- C33 H33 B F3 N O -","- C528 H528 B16 F48 N16 O16 -","16","1","","Durka, Krzysztof; Urban, Mateusz; Dąbrowski, Marek; Jankowski, Piotr; Kliś, Tomasz; Luliński, Sergiusz","Cationic and Betaine-Type Boronated Acridinium Dyes: Synthesis, Characterization, and Photocatalytic Activity.","ACS omega","2019","4","2","2482","2492","10.1021/acsomega.8b03290","","","1.5418","CuKα","","0.0425","0.0393","","","0.105","0.1081","","","","","","1.031","","","","has coordinates","266814","2021-06-30","10:25:21",""
"4515111","9.0912","0.0001","11.4484","0.0002","19.9334","0.0003","90","","94.019","0.001","90","","2069.56","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N14 O6 Zn -","- C16 H16 N14 O6 Zn -","- C64 H64 N56 O24 Zn4 -","4","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.069","0.0695","","","","","","1.067","","","","has coordinates","220228","2020-10-21","18:00:00",""
"4515112","39.7847","0.0019","8.9349","0.0004","11.8029","0.0006","90","","90","","90","","4195.6","0.3","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Co N14 O6 -","- C16 H16 Co N14 O6 -","- C128 H128 Co8 N112 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.041","0.0376","","","0.0888","0.0906","","","","","","1.089","","","","has coordinates","220229","2020-10-21","18:00:00",""
"4515113","15.284","0.0011","9.036","0.0007","16.0867","0.0011","90","","105.075","0.003","90","","2145.2","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N14 O6 -","- C16 H16 Cu N14 O6 -","- C64 H64 Cu4 N56 O24 -","4","1","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0758","0.0672","","","0.1716","0.1834","","","","","","1.086","","","","has coordinates","220230","2020-10-21","18:00:00",""
"4515114","39.702","0.002","8.8392","0.0004","11.9162","0.0006","90","","90","","90","","4181.8","0.4","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N14 Ni O6 -","- C16 H16 N14 Ni O6 -","- C128 H128 N112 Ni8 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0615","0.056","","","0.143","0.147","","","","","","1.078","","","","has coordinates","220231","2020-10-21","18:00:00",""
"4515115","8.3231","0.0004","18.3439","0.0009","26.7035","0.0013","90","","91.709","0.002","90","","4075.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Au2 F12 N10 P2 -","- C34 H42 Au2 F12 N10 P2 -","- C136 H168 Au8 F48 N40 P8 -","4","0.5","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0605","0.0578","","","0.176","0.1796","","","","","","1.061","","","","has coordinates","220232","2020-10-21","18:00:00",""
"4515116","24.845","0.002","14.7302","0.0012","24.302","0.002","90","","105.831","0.001","90","","8556.5","1.2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 Au2 F12 N11 P2 -","- C34 H37 Au2 F12 N11 P2 -","- C272 H296 Au16 F96 N88 P16 -","8","1","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0706","0.0542","","","0.1079","0.1133","","","","","","1.184","","","","has coordinates,has disorder","220232","2020-10-21","18:00:00",""
"4515117","22.366","0.002","23.882","0.002","21.841","0.002","90","","106.733","0.002","90","","11172.3","1.7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Ag Au2 F18 N12 O0.5 P3 -","- C40 H50 Ag Au2 F18 N12 O0.5 P3 -","- C320 H400 Ag8 Au16 F144 N96 O4 P24 -","8","1","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.1003","0.053","","","0.1399","0.1671","","","","","","1.025","","","","has coordinates,has disorder","220232","2020-10-21","18:00:00",""
"4515118","11.917","0.003","12.117","0.003","15.264","0.004","90","","97.907","0.005","90","","2183.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F12 N12 P2 Pd -","- C36 H44 F12 N12 P2 Pd -","- C72 H88 F24 N24 P4 Pd2 -","2","0.5","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0785","0.0596","","","0.161","0.1814","","","","","","1.049","","","","has coordinates","220232","2020-10-21","18:00:00",""
"4515119","10.8449","0.0004","16.94","0.0007","11.0749","0.0004","90","","96.952","0.004","90","","2019.64","0.13","293","2","293","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","","Unknown","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Sahoo, Subas Chandra; Maity, Rajendra; Pan, Subhas Chandra","DBU-Mediated Addition of α-Nitroketones to α-Cyano-enones and α,β-Unsaturated α-Ketoesters: Synthesis of Dihydrofurans and Conjugated Dienes.","ACS omega","2019","4","2","2792","2803","10.1021/acsomega.8b03651","","x-ray","0.71073","MoKα","","0.0721","0.05","","","0.1128","0.1281","","","","","","1.064","","","","has coordinates","220233","2020-10-21","18:00:00",""
"4515120","11.3261","0.0015","9.821","0.0014","14.4412","0.0019","90","","91.297","0.005","90","","1605.9","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6.25 H6 O12.5 Zn3 -","- C6.25 H6 O12.5 Zn3 -","- C25 H24 O50 Zn12 -","4","1","","Wu, Bowei; Wong, Y. T. Angel; Lucier, Bryan E. G.; Boyle, Paul D.; Huang, Yining","Exploring Host-Guest Interactions in the α-Zn<sub>3</sub>(HCOO)<sub>6</sub> Metal-Organic Framework.","ACS omega","2019","4","2","4000","4011","10.1021/acsomega.8b03623","","","1.54178","CuKα","","0.0306","0.0303","","","0.0986","0.0992","","","","","","1.224","","","","has coordinates","220234","2020-10-21","18:00:00",""
"4515121","11.884","0.002","20.255","0.004","20.493","0.004","90","","90","","90","","4932.9","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H84 Cl2 Ge Si7 -","- C36 H84 Cl2 Ge Si7 -","- C144 H336 Cl8 Ge4 Si28 -","4","1","","Lee, Vladimir Ya; Horiguchi, Satoru; Sekiguchi, Akira; Gapurenko, Olga A.; Gribanova, Tatyana N.; Minkin, Vladimir I.; Gornitzka, Heinz","Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene-NHC Complex Cl<sub>2</sub>Si-IPr.","ACS omega","2019","4","2","2902","2906","10.1021/acsomega.8b03429","","","0.71073","MoKα","","0.1403","0.1044","","","0.2728","0.3004","","","","","","1.065","","","","has coordinates,has disorder","220235","2020-10-21","18:00:00",""
"4515122","9.705","0.001","13.171","0.002","13.993","0.002","70.842","0.011","77.032","0.012","70.551","0.014","1579.8","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 Mg N9 O2 -","- C37 H29 Mg N9 O2 -","- C74 H58 Mg2 N18 O4 -","2","1","","Janczak, Jan","Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes.","ACS omega","2019","4","2","3673","3683","10.1021/acsomega.8b03055","","","0.71073","MoKα","","0.1026","0.0564","","","0.1443","0.172","","","","","","1.002","","","","has coordinates","220236","2020-10-21","18:00:00",""
"4515123","9.692","0.001","13.133","0.002","13.915","0.002","70.98","0.011","76.873","0.012","70.592","0.011","1565.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 N9 O2 Zn -","- C37 H29 N9 O2 Zn -","- C74 H58 N18 O4 Zn2 -","2","1","","Janczak, Jan","Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes.","ACS omega","2019","4","2","3673","3683","10.1021/acsomega.8b03055","","","0.71073","MoKα","","0.2272","0.0648","","","0.0665","0.085","","","","","","1.003","","","","has coordinates","220237","2020-10-21","18:00:00",""
"4515124","9.4051","0.0012","9.1919","0.0011","18.885","0.002","90","","90.699","0.002","90","","1632.5","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0798","0.053","","","0.1405","0.1623","","","","","","1.044","","","","has coordinates,has disorder","220238","2020-10-21","18:00:00",""
"4515125","6.2644","0.0009","9.8335","0.0014","27.698","0.004","90","","90","","90","","1706.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N3 O3 -","- C18 H18 Cl N3 O3 -","- C72 H72 Cl4 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0553","0.0369","","","0.0747","0.0827","","","","","","1.031","","","","has coordinates","220239","2020-10-21","18:00:00",""
"4515126","26.9468","0.0005","5.1107","0.0009","26.9471","0.0005","90","","104.23","0.01","90","","3597.2","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","2","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.1615","0.0576","","","0.0981","0.1285","","","","","","0.962","","","","has coordinates","220240","2020-10-21","18:00:00",""
"4515127","7.488","0.004","8.724","0.004","9.661","0.004","93.316","0.019","100.23","0.02","91.98","0.02","619.4","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Tighadouini, Said; Radi, Smaail; Ferbinteanu, Marilena; Garcia, Yann","Highly Selective Removal of Pb(II) by a Pyridylpyrazole-β-ketoenol Receptor Covalently Bonded onto the Silica Surface.","ACS omega","2019","4","2","3954","3964","10.1021/acsomega.8b03642","","","0.71075","MoKα","","0.1045","0.0758","","","0.2164","0.2442","","","","","","1.114","","","","has coordinates","220241","2020-10-21","18:00:00",""
"4515128","6.8236","0.0006","18.8561","0.0017","7.845","0.0006","90","","90","","90","","1009.39","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Borthakur, Upasana; Biswas, Subhamoy; Saikia, Anil K.","Vinylsilanes in Highly Diastereo- and Regio-Selective Synthesis of Dihydropyrans.","ACS omega","2019","4","2","2630","2636","10.1021/acsomega.8b03635","","","0.71073","MoKα","","0.0687","0.0524","","","0.1482","0.165","","","","","","1.083","","","","has coordinates","220242","2020-10-21","18:00:00",""
"4515129","9.829","0.0005","15.0471","0.0007","21.1706","0.0008","90","","90.844","0.001","90","","3130.7","0.2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 S8 -","- C29 H34 S8 -","- C116 H136 S32 -","4","1","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.06","0.0394","","","0.0931","0.1056","","","","","","1.031","","","","has coordinates","220243","2020-10-21","18:00:00",""
"4515130","11.0663","0.0005","15.3836","0.0007","23.1586","0.001","84.963","0.001","77.302","0.001","69.127","0.001","3593.5","0.3","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 S8 -","- C34 H44 S8 -","- C136 H176 S32 -","4","2","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0628","0.0416","","","0.0969","0.1078","","","","","","1.017","","","","has coordinates,has disorder","220244","2020-10-21","18:00:00",""
"4515131","8.171","0.0003","18.163","0.0008","33.575","0.0004","100.16","","92.47","","98.58","","4837.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 S10 -","- C32 H28 S10 -","- C192 H168 S60 -","6","3","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.7107","MoKα","","0.0877","0.0668","","","0.1211","0.1332","","","","","","1.056","","","","has coordinates","220245","2020-10-21","18:00:00",""
"4515132","12.8026","0.0007","18.5047","0.0007","12.4753","0.0007","90","","100.02","0.002","90","","2910.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N S8 -","- C26 H27 N S8 -","- C104 H108 N4 S32 -","4","1","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0565","0.0357","","","0.0729","0.0843","","","","","","1.035","","","","has coordinates","220246","2020-10-21","18:00:00",""
"4515133","10.5885","0.0007","6.1624","0.0004","23.953","0.0016","90","","94.492","0.001","90","","1558.15","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 S8 -","- C24 H24 S8 -","- C48 H48 S16 -","2","0.5","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0308","0.0264","","","0.0635","0.067","","","","","","1.041","","","","has coordinates","220247","2020-10-21","18:00:00",""
"4515134","10.7899","0.0001","10.6921","0.0001","16.1054","0.0001","90","","91.339","0.001","90","","1857.52","0.03","130","0.1","130","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0759","0.0761","","","","","","1.038","","","","has coordinates,has disorder","220248","2020-10-21","18:00:00",""
"4515135","11.0028","0.0002","6.94336","0.00016","25.5705","0.0005","90","","99.503","0.002","90","","1926.69","0.07","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H60 O -","- C48 H60 O -","- C96 H120 O2 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.043","0.0394","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515136","7.88777","0.00011","15.4336","0.0002","24.6842","0.0004","90","","90","","90","","3004.97","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 O2 -","- C40 H42 O2 -","- C160 H168 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1035","0.1065","","","","","","1.034","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515137","7.67545","0.00013","10.23967","0.00017","26.7674","0.0004","90","","90","","90","","2103.76","0.06","130","0.14","130","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 O -","- C29 H24 O -","- C116 H96 O4 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0361","0.0349","","","0.0913","0.0926","","","","","","1.055","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515138","17.4359","0.0013","7.4145","0.0005","17.9343","0.0011","90","","97.876","0.006","90","","2296.6","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C120 H96 O12 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.1414","0.0995","","","0.2606","0.3057","","","","","","1.023","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515139","17.687","0.003","20.208","0.003","12.9161","0.0019","90","","96.737","0.004","90","","4584.6","1.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C152 H152 F48 N16 O32 S24 -","8","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.1478","0.0632","","","0.137","0.1677","","","","","","0.956","","","","has coordinates","220249","2020-10-21","18:00:00",""
"4515140","17.677","0.002","20.167","0.003","12.8973","0.0016","90","","96.7","0.003","90","","4566.4","1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C152 H152 F48 N16 O32 S24 -","8","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0832","0.051","","","0.1299","0.1416","","","","","","1.09","","","","has coordinates","220250","2020-10-21","18:00:00",""
"4515141","7.683","0.0015","13.097","0.003","13.447","0.002","77.155","0.016","82.425","0.015","76.579","0.014","1278.6","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 F6 N2 O4 S3 -","- C22 H25 F6 N2 O4 S3 -","- C44 H50 F12 N4 O8 S6 -","2","1","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0941","0.0572","","","0.1257","0.1343","","","","","","0.837","","","","has coordinates","220251","2020-10-21","18:00:00",""
"4515142","9.5649","0.0014","14.9","0.002","16.507","0.003","97.926","0.005","99.466","0.004","95.106","0.003","2283.3","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C76 H76 F24 N8 O16 S12 -","4","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0929","0.0614","","","0.1648","0.1782","","","","","","1.025","","","","has coordinates","220252","2020-10-21","18:00:00",""
"4515143","7.7171","0.0006","12.0362","0.0009","13.6112","0.001","97.711","0.003","101.915","0.003","92.365","0.004","1222.74","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N5 O7.5 -","- C9 H8 N5 O7.5 -","- C36 H32 N20 O30 -","4","2","","Khan, Ishaat M.; Shakya, Sonam","Exploring Colorimetric Real-Time Sensing Behavior of a Newly Designed CT Complex toward Nitrobenzene and Co<sup>2+</sup>: Spectrophotometric, DFT/TD-DFT, and Mechanistic Insights.","ACS omega","2019","4","6","9983","9995","10.1021/acsomega.9b01314","","","0.71073","MoKα","","0.0851","0.0737","","","0.2316","0.2515","","","","","","1.0586","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515144","12.9324","0.0007","17.7182","0.001","20.6303","0.001","87.335","0.004","72.611","0.005","70.314","0.005","4239.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H32 O25 Zn7 -","- C66 H32 O25 Zn7 -","- C132 H64 O50 Zn14 -","2","1","","Ding, Qiongjie; Pan, Ying; Luo, Yingmei; Zhou, Mi; Guan, Yucheng; Li, Baohong; Trivedi, Manoj; Kumar, Abhinav; Liu, Jianqiang","Photocatalytic and Ferric Ion Sensing Properties of a New Three-Dimensional Metal-Organic Framework Based on Cuboctahedral Secondary Building Units.","ACS omega","2019","4","6","10775","10783","10.1021/acsomega.9b01008","","","1.54184","CuKα","","0.0722","0.0616","","","0.176","0.1834","","","","","","1.069","","","","has coordinates","220254","2020-10-21","18:00:00",""
"4515145","7.9525","0.001","7.9525","","5.7712","0.0009","90","","90","","120","","316.09","0.06","296","","296","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Al2 Ca N8 Si4 -","- Al1.9998 Ca N8 Si4.0002 -","- Al3.9996 Ca2 N16 Si8.0004 -","2","0.333333","","Hasegawa, Shota; Hasegawa, Takuya; Kim, Sun Woog; Yamanashi, Ryota; Uematsu, Kazuyoshi; Toda, Kenji; Sato, Mineo","Single Crystal Growth and Crystal Structure Analysis of Novel Orange-Red Emission Pure Nitride CaAl<sub>2</sub>Si<sub>4</sub>N<sub>8</sub>:Eu<sup>2+</sup> Phosphor.","ACS omega","2019","4","6","9939","9945","10.1021/acsomega.9b00606","","","0.71075","MoKα","","0.0261","0.0261","","","0.0655","0.0656","","","","","","1.107","","","","has coordinates","220255","2020-10-21","18:00:00",""
"4515146","8.0663","0.0005","29.9873","0.0018","40.915","0.003","90","","90","","90","","9896.8","1.1","173","2","173","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C18.98 H15.23 Ag F3 N6 O2 S2 -","- C18.976 H15.232 Ag F3 N6 O2 S2 -","- C303.616 H243.712 Ag16 F48 N96 O32 S32 -","16","1","","Wang, Xin; Chang, Zhiduo; Jing, Xu; He, Cheng; Duan, Chunying","Double-Helical Ag-S Rod-Based Porous Coordination Polymers with Double Activation: σ-Active and π-Active Functions.","ACS omega","2019","4","6","10828","10833","10.1021/acsomega.9b00742","","","0.71073","MoKα","","0.1408","0.0989","","","0.2485","0.2718","","","","","","1.193","","","","has coordinates","220256","2020-10-21","18:00:00",""
"4515147","16.1257","0.0006","5.0821","0.0002","19.3075","0.0006","90","","97.582","0.002","90","","1568.46","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2a","","","- C14 H24 F N O4 -","- C14 H24 F N O4 -","- C56 H96 F4 N4 O16 -","4","2","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.1062","0.0571","","","0.1104","0.1295","","","","","","1.019","","","","has coordinates,has disorder","220257","2020-10-21","18:00:00",""
"4515148","5.2019","0.0001","11.2334","0.0003","28.6154","0.0006","90","","90","","90","","1672.14","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","24","","","- C15 H24 F3 N O4 -","- C15 H24 F3 N O4 -","- C60 H96 F12 N4 O16 -","4","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0271","0.026","","","0.0646","0.0656","","","","","","1.092","","","","has coordinates","220257","2020-10-21","18:00:00",""
"4515149","5.8929","0.0004","9.6349","0.0006","13.2171","0.0009","90","","95.355","0.004","90","","747.16","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","40","","","- C14 H24 N2 O3 -","- C14 H24 N2 O3 -","- C28 H48 N4 O6 -","2","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0489","0.0381","","","0.0788","0.0828","","","","","","1.046","","","","has coordinates","220257","2020-10-21","18:00:00",""
"4515150","6.95","0.008","12.601","0.01","13.48","0.013","69.33","0.03","83.01","0.04","83.13","0.06","1092.6","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.56087","AgKα","","0.0417","0.0303","","","0.0824","0.0941","","","","","","1.15","","","","has coordinates","220258","2020-10-21","18:00:00",""
"4515151","5.3076","0.0002","22.0688","0.0009","9.7098","0.0004","90","","103.682","0.001","90","","1105.06","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1611","0.0805","","","0.2029","0.2387","","","","","","1.029","","","","has coordinates","220259","2020-10-21","18:00:00",""
"4515152","11.3898","0.0008","5.067","0.0003","18.3989","0.0014","90","","99.046","0.003","90","","1048.63","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1066","0.0698","","","0.1943","0.2173","","","","","","1.082","","","","has coordinates","220260","2020-10-21","18:00:00",""
"4515153","10.0093","0.0004","5.0606","0.0002","11.3529","0.0004","90","","114.639","0.001","90","","522.7","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.0638","0.0509","","","0.14","0.1477","","","","","","1.09","","","","has coordinates","220261","2020-10-21","18:00:00",""
"4515154","15.5743","0.0007","8.6442","0.0004","8.8487","0.0004","90","","90","","90","","1191.28","0.09","100","0.2","100","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.1064","0.1111","","","","","","1.052","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515155","9.4539","0.0002","11.2454","0.0002","12.3556","0.0003","90","","106.31","0.002","90","","1260.7","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","1.54184","CuKα","","0.0391","0.0367","","","0.0926","0.0944","","","","","","1.079","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515156","8.827","0.006","15.463","0.01","13.152","0.012","90","","109.534","0.013","90","","1692","2","173","2","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0838","0.0473","","","0.0911","0.1031","","","","","","1.032","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515157","12.044","0.019","12.493","0.018","11.74","0.018","90","","115.85","0.03","90","","1590","4","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.1091","0.0703","","","0.1797","0.208","","","","","","1.033","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515158","12.22","0.004","12.058","0.003","12.183","0.004","90","","118.155","0.004","90","","1582.7","0.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O S -","- C18 H19 N O S -","- C72 H76 N4 O4 S4 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.053","0.0422","","","0.1227","0.13","","","","","","1.076","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515159","16.2066","0.0006","9.4121","0.0004","22.5224","0.0009","90","","90","","90","","3435.5","0.2","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C136 H152 N8 O16 S16 -","8","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0884","0.0704","","","0.149","0.1572","","","","","","1.211","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4515160","9.2098","0.0016","10.1883","0.0018","18.326","0.004","90","","90","","90","","1719.6","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.048","0.0401","","","0.1097","0.1207","","","","","","1.233","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515161","15.89","0.003","15.537","0.003","28.947","0.006","90","","93.24","0.03","90","","7135","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4.61 H3.66 F0.41 N0.54 O0.68 Ru0.14 S0.14 -","- C4.61017 H3.66102 F0.40678 N0.542373 O0.677966 Ru0.135593 S0.135593 -","- C272 H216 F24 N32 O40 Ru8 S8 -","59","14.75","","Singh, Jatinder; Park, Dae Won; Kim, Dong Hwan; Singh, Nem; Kang, Se Chan; Chi, Ki-Whan","Coordination-Driven Self-Assembly of Triazole-Based Apoptosis-Inducible Metallomacrocycles.","ACS omega","2019","4","6","10810","10817","10.1021/acsomega.9b00093","","","0.71073","MoKα","","0.1151","0.1057","","","0.3053","0.3172","","","","","","1.404","","","","has coordinates","220263","2020-10-21","18:00:00",""
"4515162","11.716","0.0006","12.8272","0.0007","13.7268","0.0007","90","","91.441","0.004","90","","2062.26","0.19","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Copper(II) Calcium(II) dimethoxysalen","","- C18 H18 Ca Cu N4 O10 -","- C18 H18 Ca Cu N4 O10 -","- C72 H72 Ca4 Cu4 N16 O40 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0742","0.0425","","","0.1007","0.1099","","","","","","0.906","","","","has coordinates","220264","2020-10-21","18:00:00",""
"4515163","11.6329","0.0005","16.1304","0.0007","23.2105","0.0011","79.04","0.004","87.041","0.004","89.654","0.004","4270.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Barium(II) dimethoxysalen","","- C36 H36 Ba Cu2 N6 O14 -","- C36 H36 Ba Cu2 N6 O14 -","- C144 H144 Ba4 Cu8 N24 O56 -","4","2","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0898","0.0495","","","0.1069","0.1201","","","","","","0.929","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4515164","22.5345","0.0008","8.6074","0.0003","11.1107","0.0004","90","","90","","90","","2155.07","0.13","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Nickel(II) Strontium(II) dimethoxysalen","","- C18 H20 N4 Ni O11 Sr -","- C18 H20 N4 Ni O11 Sr -","- C72 H80 N16 Ni4 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0285","0.0235","","","0.0506","0.052","","","","","","0.99","","","","has coordinates","220266","2020-10-21","18:00:00",""
"4515165","7.6984","0.0009","10.9592","0.0011","12.8941","0.0014","90.486","0.009","97.941","0.009","111.744","0.008","998.7","0.2","250","","250","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Magnesium(II) dimethoxysalen","","- C18 H18 Cu Mg N4 O10 -","- C18 H18 Cu Mg N4 O10 -","- C36 H36 Cu2 Mg2 N8 O20 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.1327","0.0922","","","0.223","0.2488","","","","","","0.931","","","","has coordinates","220267","2020-10-21","18:00:00",""
"4515166","11.632","0.002","16.114","0.003","23.382","0.006","100.388","0.017","92.814","0.018","90.137","0.016","4305.4","1.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 Ba2 N12 Ni4 O28 -","- C72 H68 Ba2 N12 Ni4 O28 -","- C144 H136 Ba4 N24 Ni8 O56 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.2806","0.0932","","","0.182","0.2628","","","","","","0.874","","","","has coordinates,has disorder","220268","2020-10-21","18:00:00",""
"4515167","8.4758","0.0004","11.105","0.0004","22.9166","0.0011","90","","99.045","0.004","90","","2130.17","0.16","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Nickel(II) Calcium(II) dimethoxysalen","","- C18 H20 Ca N4 Ni O11 -","- C18 H20 Ca N4 Ni O11 -","- C72 H80 Ca4 N16 Ni4 O44 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0562","0.0353","","","0.0783","0.0843","","","","","","0.984","","","","has coordinates","220269","2020-10-21","18:00:00",""
"4515168","22.7055","0.0005","8.6682","0.0005","11.1732","0.0014","90","","90","","90","","2199.1","0.3","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Copper(II) Strontium(II) dimethoxysalen","","- C18 H20 Cu N4 O11 Sr -","- C18 H20 Cu N4 O11 Sr -","- C72 H80 Cu4 N16 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0662","0.0395","","","0.0826","0.093","","","","","","1.031","","","","has coordinates","220270","2020-10-21","18:00:00",""
"4515169","8.2292","0.0008","11.4209","0.0011","11.5013","0.0011","83.169","0.008","84.59","0.008","85.07","0.008","1065.44","0.18","200","","200","","","","","","","","","6","P -1","-P 1","2","Nickel(II) Magnesium(II) dimethoxysalen","Nickel(II) Magnesium(II) dimethoxysalen","","- C18 H20 Mg N4 Ni O11 -","- C18 H20 Mg N4 Ni O11 -","- C36 H40 Mg2 N8 Ni2 O22 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0957","0.0644","","","0.1735","0.1934","","","","","","1.101","","","","has coordinates","220271","2020-10-21","18:00:00",""
"4515170","8.9673","0.0002","14.7355","0.0006","15.1832","0.0006","86.374","0.003","84.081","0.003","83.451","0.003","1979.86","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Ag1.5 Cl3 F3 N6 O3 S4 -","- C23 H19 Ag1.5 Cl3 F3 N6 O3 S4 -","- C46 H38 Ag3 Cl6 F6 N12 O6 S8 -","2","1","","Xue, Hui; Cao, Junze; Zhao, Liang; Hao, Haigang; Hong, Maochun","Conformation-Driven Self-Assembly: From a 1D Metal-Organic Polymer to an Infinite Double Nanotube.","ACS omega","2019","4","6","10755","10760","10.1021/acsomega.9b01344","","","1.54184","CuKα","","0.0602","0.0508","","","0.1272","0.1329","","","","","","1.038","","","","has coordinates","220272","2020-10-21","18:00:00",""
"4515171","12.7235","0.0004","16.2023","0.0006","17.4567","0.0007","75.874","0.003","88.149","0.003","70.57","0.003","3286.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H58 Ag3 F7 N14 O12 S8 -","- C44 H36 Ag3 F6 N12 O6 S8 -","- C88 H72 Ag6 F12 N24 O12 S16 -","2","1","","Xue, Hui; Cao, Junze; Zhao, Liang; Hao, Haigang; Hong, Maochun","Conformation-Driven Self-Assembly: From a 1D Metal-Organic Polymer to an Infinite Double Nanotube.","ACS omega","2019","4","6","10755","10760","10.1021/acsomega.9b01344","","","1.54184","CuKα","","0.0713","0.0591","","","0.1467","0.1542","","","","","","0.974","","","","has coordinates","220273","2020-10-21","18:00:00",""
"4515172","24.823","0.005","10.2507","0.0019","11.275","0.002","90","","103.362","0.004","90","","2791.3","0.9","297","2","297","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N -","- C21 H15 N -","- C168 H120 N8 -","8","2","","Liu, Fan; Wu, Fei; Ling, Weidong; Tu, Zongxiao; Zhang, Jianqi; Wei, Zhixiang; Zhu, Linna; Li, Qianqian; Li, Zhen","Facile-Effective Hole-Transporting Materials Based on Dibenzo[a,c]carbazole: The Key Role of Linkage Position to Photovoltaic Performance of Perovskite Solar Cells","ACS Energy Letters","2019","4","10","2514","","10.1021/acsenergylett.9b01539","","","0.71073","MoKα","","0.0559","0.0364","","","0.0846","0.1023","","","","","","1.162","","","","has coordinates","220274","2020-10-21","18:00:00",""
"4515173","14.6247","0.0003","14.6247","0.0003","30.1473","0.0006","90","","90","","120","","5584.1","0.2","110","","110","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C81 H180 Cl19 N9 Pb3 Zn2 -","- C162 H360 Cl38 N18 Pb6 Zn4 -","2","0.333333","","Zhou, Chenkun; Lin, Haoran; Neu, Jennifer; Zhou, Yan; Chaaban, Maya; Lee, Sujin; Worku, Michael; Chen, Banghao; Clark, Ronald; Cheng, Wenhao; Guan, Jingjiao; Djurovich, Peter; Zhang, Dongzhou; Lü, Xujie; Bullock, James; Pak, Chongin; Shatruk, Michael; Du, Mao-Hua; Siegrist, Theo; Ma, Biwu","Green Emitting Single-Crystalline Bulk Assembly of Metal Halide Clusters with Near-Unity Photoluminescence Quantum Efficiency","ACS Energy Letters","2019","4","7","1579","","10.1021/acsenergylett.9b00991","","","0.71073","MoKα","","0.0665","0.0592","","0.0963","0.0936","0.0921","","","","","","0.9966","","","","has coordinates","220275","2020-10-21","18:00:00",""
"4515174","15.6998","0.0003","15.6998","0.0003","8.0618","0.0003","90","","90","","120","","1720.88","0.08","293","","293","","","","","","","","","6","P -6","P -6","174","thiazolium lead iodide","","","- C3 H3 I4.5 N3 Pb1.5 S1.5 -","- C3 H6 I4.5 N3 Pb1.5 S1.5 -","- C12 H24 I18 N12 Pb6 S6 -","4","0.666667","","Gao, Lili; Spanopoulos, Ioannis; Ke, Weijun; Huang, Sheng; Hadar, Ido; Chen, Lin; Li, Xiaolei; Yang, Guanjun; Kanatzidis, Mercouri G.","Improved Environmental Stability and Solar Cell Efficiency of (MA,FA)PbI3 Perovskite Using a Wide-Band-Gap 1D Thiazolium Lead Iodide Capping Layer Strategy","ACS Energy Letters","2019","4","7","1763","","10.1021/acsenergylett.9b00930","","x-ray","0.71073","MoKα","","0.0511","0.0478","","","0.1406","0.1414","","","","4.52","4.52","4.37","","","","has coordinates","220276","2020-10-21","18:00:00",""
"4515175","2.845","0.003","2.845","0.003","17.88","0.016","90","","90","","120","","125.3","0.2","295","2","295","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co O2 Pd -","- Co3 O6 Pd3 -","- Co3 O6 Pd3 -","1","0.0277778","","Li, Guowei; Khim, Seunghyun; Chang, Celesta S.; Fu, Chenguang; Nandi, Nabhanila; Li, Fan; Yang, Qun; Blake, Graeme R.; Parkin, Stuart; Auffermann, Gudrun; Sun, Yan; Muller, David A.; Mackenzie, Andrew P.; Felser, Claudia","In Situ Modification of a Delafossite-Type PdCoO<sub>2</sub> Bulk Single Crystal for Reversible Hydrogen Sorption and Fast Hydrogen Evolution.","ACS energy letters","2019","4","9","2185","2191","10.1021/acsenergylett.9b01527","","","0.71073","MoKα","","0.0297","0.0297","","","0.0709","0.0709","","","","","","1.299","","","","has coordinates","220277","2020-10-21","18:00:00",""
"4515176","10.1242","0.0006","13.9473","0.0006","35.3927","0.0017","90","","90","","90","","4997.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate","","","- C46 H70 N4 O15 -","- C46 H70 N4 O15 -","- C184 H280 N16 O60 -","4","1","","Pyta, Krystian; Janas, Anna; Skrzypczak, Natalia; Schilf, Wojciech; Wicher, Barbara; Gdaniec, Maria; Bartl, Franz; Przybylski, Piotr","Specific Interactions between Rifamycin Antibiotics and Water Influencing Ability To Overcome Natural Cell Barriers and the Range of Antibacterial Potency.","ACS infectious diseases","2019","5","10","1754","1763","10.1021/acsinfecdis.9b00176","","","0.71073","MoKα","","0.1721","0.0455","","","0.0695","0.095","","","","","","0.827","","","","has coordinates","220278","2020-10-21","18:00:00",""
"4515177","14.868","0.002","10.1272","0.0015","31.874","0.004","90","","90.165","0.005","90","","4799.3","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 N2 O9 Si -","- C53 H62 N2 O9 Si -","- C212 H248 N8 O36 Si4 -","4","2","","Sati, Girish C.; Sarpe, Vikram A.; Furukawa, Takayuki; Mondal, Sujit; Mantovani, Matilde; Hobbie, Sven N.; Vasella, Andrea; Böttger, Erik C; Crich, David","Modification at the 2'-Position of the 4,5-Series of 2-Deoxystreptamine Aminoglycoside Antibiotics To Resist Aminoglycoside Modifying Enzymes and Increase Ribosomal Target Selectivity.","ACS infectious diseases","2019","5","10","1718","1730","10.1021/acsinfecdis.9b00128","","","0.71073","MoKα","","0.0788","0.0495","","","0.0978","0.1122","","","","","","1.033","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4515178","9.1607","0.0003","16.8571","0.0005","17.2193","0.0005","106.194","0.002","99.701","0.002","96.486","0.002","2480.84","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Cl2 N6 O2 -","- C66 H48 Cl2 N6 O2 -","- C132 H96 Cl4 N12 O4 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.78238","","","0.1083","0.0535","","","0.1153","0.1603","","","","","","1.1","","","","has coordinates","220280","2020-10-21","18:00:00",""
"4515179","12.5902","0.0006","15.6843","0.0006","19.3156","0.0008","83.7616","0.0013","74.8828","0.0015","76.0836","0.0016","3569.8","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H78 Cl2 N6 O P2 Pd -","- C86 H78 Cl2 N6 O P2 Pd -","- C172 H156 Cl4 N12 O2 P4 Pd2 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.71075","MoKα","","0.0603","0.0457","","","0.1222","0.135","","","","","","1.068","","","","has coordinates","220281","2020-10-21","18:00:00",""
"4515180","14.5738","0.0004","18.0601","0.0005","18.5802","0.0005","81.0382","0.0008","77.9769","0.0008","89.6204","0.0009","4723","0.2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H108 Cl2 N6 O2 P4 Pd2 S2 -","- C102 H88 Cl2 N6 O2 P4 Pd2 S2 -","- C204 H176 Cl4 N12 O4 P8 Pd4 S4 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.71075","MoKα","","0.0747","0.0612","","","0.1746","0.1916","","","","","","1.088","","","","has coordinates","220282","2020-10-21","18:00:00",""
"4515181","9.341","0.004","12.431","0.005","16.645","0.007","107.362","0.006","94.593","0.005","102.557","0.005","1778.7","1.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Cl2 N4 O2 -","- C46 H33 Cl2 N4 O2 -","- C92 H66 Cl4 N8 O4 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.71075","MoKα","","0.0863","0.0604","","","0.1258","0.1478","","","","","","1.053","","","","has coordinates","220283","2020-10-21","18:00:00",""
"4515182","9.1275","0.0003","17.0682","0.0004","17.2015","0.0005","104.902","0.002","98.456","0.002","98.294","0.002","2514.64","0.13","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H48 Cl2 N6 -","- C66 H48 Cl2 N6 -","- C132 H96 Cl4 N12 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.78263","","","0.0703","0.0598","","","0.1467","0.1535","","","","","","1.086","","","","has coordinates","220284","2020-10-21","18:00:00",""
"4515183","11.2135","0.0005","21.542","0.0009","9.8888","0.0004","90","","114.207","0.008","90","","2178.7","0.2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C10H7CONHCH(CH2CH2SEt)C10H7","","- C26 H25 N O S -","- C26 H25 N O S -","- C104 H100 N4 O4 S4 -","4","1","","Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka","Side-Chain-Driven Dual Structural System of Poly-Arylopeptide: Selective Helical Formation Derived from Aromatic Ring Flips on the Backbone","ACS Macro Letters","2019","8","6","694","","10.1021/acsmacrolett.9b00249","","","0.71075","MoKα","","0.0915","0.0514","","","0.095","0.1079","","","","","","1.03","","","","has coordinates","220285","2020-10-21","18:00:00",""
"4515184","8.6791","0.0005","9.6319","0.0005","15.1062","0.0008","105.986","0.0018","94.3371","0.0019","98.3631","0.0019","1192.16","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 N6 O8 S4 -","- C42 H58 N6 O8 S4 -","- C42 H58 N6 O8 S4 -","1","0.5","","Shin, Geon; Khazi, Mohammed Iqbal; Kundapur, Umesha; Kim, Bubsung; Kim, Youngmee; Lee, Chan Woo; Kim, Jong-Man","Cation-Directed Self-Assembly of Macrocyclic Diacetylene for Developing Chromogenic Polydiacetylene","ACS Macro Letters","2019","","","610","","10.1021/acsmacrolett.9b00169","","","0.71073","MoKα","","0.1752","0.0773","","","0.1695","0.2132","","","","","","1.011","","","","has coordinates,has disorder","220286","2020-10-21","18:00:00",""
"4515185","9.0655","0.0002","10.1856","0.0003","27.0162","0.0007","90","","91.193","0.002","90","","2494.07","0.11","107","5","107","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 O4 S -","- C31 H22 N2 O4 S -","- C124 H88 N8 O16 S4 -","4","1","","Qi, Chunxuan; Zheng, Chao; Hu, Rongrong; Tang, Ben Zhong","Direct Construction of Acid-Responsive Poly(indolone)s through Multicomponent Tandem Polymerizations","ACS Macro Letters","2019","","","569","","10.1021/acsmacrolett.9b00297","","x-ray","1.54184","CuKα","","0.0647","0.0618","","","0.1574","0.1594","","","","","","1.071","","","","has coordinates","220287","2020-10-21","18:00:00",""
"4515186","10.38019","0.00019","11.413","0.0003","13.929","0.0003","99.466","0.002","111.743","0.002","99.2606","0.0019","1466.89","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 N3 O3 S -","- C35 H31 N3 O3 S -","- C70 H62 N6 O6 S2 -","2","1","","Qi, Chunxuan; Zheng, Chao; Hu, Rongrong; Tang, Ben Zhong","Direct Construction of Acid-Responsive Poly(indolone)s through Multicomponent Tandem Polymerizations","ACS Macro Letters","2019","","","569","","10.1021/acsmacrolett.9b00297","","x-ray","1.54184","CuKα","","0.0386","0.0353","","","0.092","0.094","","","","","","1.059","","","","has coordinates,has disorder","220288","2020-10-21","18:00:00",""
"4515187","13.0379","0.0004","21.2055","0.0006","20.1869","0.0007","90","","104.64","0.001","90","","5400","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H66 N4 O4 S2 -","- C62 H66 N4 O4 S2 -","- C248 H264 N16 O16 S8 -","4","0.5","","Saccone, Marco; Blanke, Meik; Daniliuc, Constantin G.; Rekola, Heikki; Stelzer, Jacqueline; Priimagi, Arri; Voskuhl, Jens; Giese, Michael","Mesogens with Aggregation-Induced Emission Formed by Hydrogen Bonding","ACS Materials Letters","2019","","","589","","10.1021/acsmaterialslett.9b00371","","","1.54178","CuKα","","0.0417","0.0347","","","0.0782","0.082","","","","","","1.052","","","","has coordinates","220289","2020-10-21","18:00:00",""
"4515188","8.9526","0.0003","16.0859","0.0005","21.5605","0.0008","90","","90.488","0.004","90","","3104.83","0.18","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Br4 N8 Pb -","- C26 H38 Br4 N8 Pb -","- C104 H152 Br16 N32 Pb4 -","4","1","","Lin, Haoran; Zhou, Chenkun; Chaaban, Maya; Xu, Liang-Jin; Zhou, Yan; Neu, Jennifer; Worku, Michael; Berkwits, Ella; He, Qingquan; Lee, Sujin; Lin, Xinsong; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu","Bulk Assembly of Zero-Dimensional Organic Lead Bromide Hybrid with Efficient Blue Emission","ACS Materials Letters","2019","","","594","","10.1021/acsmaterialslett.9b00333","","x-ray","0.71073","MoKα","","0.0934","0.0656","","","0.1551","0.1712","","","","","","1.046","","","","has coordinates,has disorder","220290","2020-10-21","18:00:00",""
"4515189","12.2981","0.0007","12.3163","0.0008","17.2102","0.0011","83.575","0.002","79.708","0.002","89.976","0.002","2548.2","0.3","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F10 I8 N4 Pb2 -","- C32 H38 F10 I8 N4 Pb2 -","- C64 H76 F20 I16 N8 Pb4 -","2","1","","Hu, Jun; Oswald, Iain W. H.; Hu, Huamin; Stuard, Samuel J.; Nahid, Masrur Morshed; Yan, Liang; Chen, Zheng; Ade, Harald; Neilson, James R.; You, Wei","Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic‒Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency","ACS Materials Letters","2019","1","1","171","","10.1021/acsmaterialslett.9b00102","","","0.71073","MoKα","","0.1095","0.0717","","","0.1832","0.2018","","","","","","1.168","","","","has coordinates,has disorder","220291","2020-10-21","18:00:00",""
"4515190","11.7229","0.0007","16.091","0.0008","19.5838","0.0011","83.814","0.005","74.318","0.005","87.882","0.005","3535.8","0.4","149.8","","149.8","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N5 O28 -","- C160 H164 N5 O28 -","- C160 H164 N5 O28 -","1","0.5","","Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe","Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water","ACS Materials Letters","2019","1","1","111","","10.1021/acsmaterialslett.9b00163","","","0.71073","MoKα","","0.1188","0.0719","","","0.1887","0.2299","","","","","","1.036","","","","has coordinates,has disorder","220292","2020-10-21","18:00:00",""
"4515191","11.8512","0.0005","16.3125","0.0008","19.6256","0.001","84.105","0.004","74.395","0.004","88.433","0.004","3634.9","0.3","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C164 H180 N5 O28 -","- C164 H180 N5 O28 -","- C164 H180 N5 O28 -","1","0.5","","Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe","Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water","ACS Materials Letters","2019","1","1","111","","10.1021/acsmaterialslett.9b00163","","","0.71073","MoKα","","0.1169","0.063","","","0.1505","0.1865","","","","","","1.023","","","","has coordinates","220293","2020-10-21","18:00:00",""
"4515192","14.50238","0.00013","21.17437","0.00016","21.92873","0.00017","90","","90","","90","","6733.85","0.09","140","0.1","140","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C81 H56 B4 Cl4 N4 O8 -","- C81 H56 B4 Cl4 N4 O8 -","- C324 H224 B16 Cl16 N16 O32 -","4","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.074","0.0666","","","0.1891","0.1987","","","","","","1.057","","","","has coordinates,has disorder","220294","2020-10-21","18:00:00",""
"4515193","12.1125","0.0008","15.6299","0.001","23.3077","0.0012","87.084","0.005","75.549","0.005","72.54","0.006","4074.7","0.5","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C73 H52 B4 N8 O8 -","- C73 H52 B4 N8 O8 -","- C146 H104 B8 N16 O16 -","2","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.1516","0.1298","","","0.4025","0.4293","","","","","","1.6","","","","has coordinates","220295","2020-10-21","18:00:00",""
"4515194","25.3403","0.0003","25.3403","0.0003","25.3403","0.0003","90","","90","","90","","16271.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C36 H24 N12 Ni4 O3 -","- C36 H24 N12 Ni4 O3 -","- C288 H192 N96 Ni32 O24 -","8","0.0416667","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","0.71073","MoKα","","0.0319","0.0286","","","0.0791","0.0808","","","","","","1.1","","","","has coordinates","220296","2020-10-21","18:00:00",""
"4515195","28.7935","0.0002","28.7935","0.0002","21.0494","0.0003","90","","90","","90","","17451.3","0.3","253","2","253","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H34 N12 Ni4 O3 -","- C66 H34 N12 Ni4 O3 -","- C264 H136 N48 Ni16 O12 -","4","0.25","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.1208","0.1108","","","0.3317","0.3406","","","","","","1.062","","","","has coordinates,has disorder","220297","2020-10-21","18:00:00",""
"4515196","25.351","0.0005","25.351","0.0005","25.351","0.0005","90","","90","","90","","16292.4","0.6","100","10","100","10","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C78 H24 N30 Ni8 O6 -","- C78 H24 N30 Ni8 O6 -","- C312 H96 N120 Ni32 O24 -","4","0.0208333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.0736","0.0673","","","0.2136","0.2284","","","","","","1.179","","","","has coordinates","220298","2020-10-21","18:00:00",""
"4515197","24.844","0.005","19.736","0.004","29.107","0.006","90","","109.15","0.03","90","","13482","5","194","2","194","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H107 Au10 F12 N9 O P10 S4 -","- C122 H107 Au10 F12 N9 O P10 S4 -","- C488 H428 Au40 F48 N36 O4 P40 S16 -","4","1","","Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes","ACS Materials Letters","2019","1","2","277","","10.1021/acsmaterialslett.9b00175","","","0.7199","synchrotron","","0.0323","0.0297","","","0.0803","0.0819","","","","","","1.032","","","","has coordinates,has disorder","220299","2020-10-21","18:00:00",""
"4515198","19.326","0.004","24.028","0.005","30.005","0.006","90","","91.82","0.03","90","","13926","5","194","2","194","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H112 Au10 Cl8 F12 N8 P10 S4 -","- C124 H112 Au10 Cl8 F12 N8 P10 S4 -","- C496 H448 Au40 Cl32 F48 N32 P40 S16 -","4","1","","Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes","ACS Materials Letters","2019","1","2","277","","10.1021/acsmaterialslett.9b00175","","","0.7199","synchrotron","","0.0751","0.0666","","","0.1856","0.197","","","","","","1.056","","","","has coordinates","220300","2020-10-21","18:00:00",""
"4515199","8.393608","","11.86567","","8.395668","","90","","90","","90","","836.173","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5 Br3 N2 Pb -","- C4 H20 Br12 N8 Pb4 -","4","0.5","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220301","2020-10-21","18:00:00",""
"4515200","6.03793","","6.03793","","6.03793","","90","","90","","90","","220.122","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5.0034 Br3 N2.0016 Pb -","- C H5.0034 Br3 N2.0016 Pb -","1","0.0208333","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220303","2020-10-21","18:00:00",""
"4515201","35.762","0.013","21.04","0.009","29.441","0.01","90","","94.412","0.012","90","","22087","14","130","2","130.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H240 Cl24 Cu61 S32 -","- C110 H240 Cl24 Cu61 S32 -","- C440 H960 Cl96 Cu244 S128 -","4","0.5","","Ghosh, Atanu; Huang, Ren-Wu; Alamer, Badriah; Abou-Hamad, Edy; Hedhili, Mohamed Nejib; Mohammed, Omar F.; Bakr, Osman M.","[Cu61(StBu)26S6Cl6H14]+: A Core‒Shell Superatom Nanocluster with a Quasi-J36 Cu19 Core and an “18-Crown-6” Metal-Sulfide-like Stabilizing Belt","ACS Materials Letters","2019","1","3","297","","10.1021/acsmaterialslett.9b00122","","","0.71073","MoKα","","0.1167","0.0616","","","0.1367","0.1539","","","","","","1.024","","","","has coordinates,has disorder","220304","2020-10-21","18:00:00",""
"4515202","34.4434","0.0018","11.1624","0.0003","19.7605","0.0009","90","","97.631","0.005","90","","7530.1","0.6","149.97","0.1","149.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H78 F4 N4 O2 S4 -","- C94 H78 F4 N4 O2 S4 -","- C376 H312 F16 N16 O8 S16 -","4","1","","Cai, Guilong; Wang, Wei; Zhou, Jiadong; Xiao, Yiqun; Liu, Kuan; Xie, Zengqi; Lu, Xinhui; Lian, Jiarong; Zeng, Pengju; Wang, Yiping; Zhan, Xiaowei","Comparison of Linear- and Star-Shaped Fused-Ring Electron Acceptors","ACS Materials Letters","2019","1","3","367","","10.1021/acsmaterialslett.9b00253","","x-ray","1.54184","CuKα","","0.2025","0.104","","","0.2601","0.3219","","","","","","1.033","","","","has coordinates","220305","2020-10-21","18:00:00",""
"4515203","27.424","0.005","27.424","0.005","57.155","0.01","90","","90","","120","","37226","12","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C192.63 H181.27 Ag29 Na3 O22.5 P3.29 S24 -","- C192.81 H169.425 Ag29 Na3 O22.5 P3.295 S24 -","- C1156.86 H1016.55 Ag174 Na18 O135 P19.77 S144 -","6","0.333333","","Chakraborty, Papri; Nag, Abhijit; Sugi, Korath Shivan; Ahuja, Tripti; Varghese, Babu; Pradeep, Thalappil","Crystallization of a Supramolecular Coassembly of an Atomically Precise Nanoparticle with a Crown Ether","ACS Materials Letters","2019","","","534","","10.1021/acsmaterialslett.9b00352","","","0.71073","MoKα","","0.1834","0.1136","","","0.3261","0.3989","","","","","","1.412","","","","has coordinates,has disorder","220306","2020-10-21","18:00:00",""
"4515204","9.8605","0.0008","11.7357","0.001","14.9221","0.0012","90","","92.649","0.005","90","","1724.9","0.2","173","2","172.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N2 O2 -","- C40 H44 N2 O2 -","- C80 H88 N4 O4 -","2","0.5","","Usta, Hakan; Alimli, Dilek; Ozdemir, Resul; Dabak, Salih; Zorlu, Yunus; Alkan, Fahri; Tekin, Emine; Can, Ayse","Highly Efficient Deep-Blue Electroluminescence Based on a Solution-Processable A-π-D-π-A Oligo(p-phenyleneethynylene) Small Molecule.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b12971","","x-ray","0.71073","MoKα","","0.1326","0.0693","","","0.1716","0.2066","","","","","","1.033","","","","has coordinates,has disorder","220311","2020-10-21","18:00:00",""
"4515205","10.72692","0.00012","12.7876","0.00014","39.6389","0.0003","90","","90","","90","","5437.33","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H68 F6 N7 O13 -","- C46 H68 F6 N7 O13 -","- C184 H272 F24 N28 O52 -","4","1","","Mondal, Sudipta; Basavalingapp, Vasantha; Jacoby, Guy; Shimon, Linda J. W.; Beck, Roy; Gazit, Ehud","Functional Coiled-Coil like Assembly by Knob-into-Hole Packing of Single Heptad Repeat.","ACS nano","2019","","","","","10.1021/acsnano.9b04148","","","1.54184","CuKα","","0.0522","0.0497","","","0.1355","0.1376","","","","","","1.044","","","","has coordinates","220313","2020-10-21","18:00:00",""
"4515206","10.8699","0.0006","28.1809","0.0016","13.7206","0.0008","90","","97.267","0.002","90","","4169.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cu2 N6 O13 S2 -","- C46 H34 Cu2 N6 O13 S2 -","- C184 H136 Cu8 N24 O52 S8 -","4","1","","Panda, Dillip K.; Maity, Krishnendu; Palukoshka, Andrei; Ibrahim, Faysal; Saha, Sourav","Li+ Ion-Conducting Sulfonate-Based Neutral Metal‒Organic Framework","ACS Sustainable Chemistry & Engineering","2019","7","5","4619","","10.1021/acssuschemeng.8b06254","","","0.71073","MoKα","","0.0805","0.0639","","","0.1295","0.1355","","","","","","1.188","","","","has coordinates,has disorder","220316","2020-10-21","18:00:00",""
"4515207","19.1883","0.0015","12.5853","0.001","19.3989","0.0015","90","","99.19","0.002","90","","4624.5","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 N4 Nd O4 P -","- C51 H60 N4 Nd O4 P -","- C204 H240 N16 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0987","0.0946","","","0.2207","0.2223","","","","","","1.374","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4515208","38.1969","0.0008","10.9454","0.0002","19.2649","0.0004","90","","102.615","0.001","90","","7859.8","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N4 Nd O4 P -","- C36 H54 N4 Nd O4 P -","- C288 H432 N32 Nd8 O32 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0205","0.0183","","","0.0446","0.046","","","","","","1.098","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4515209","11.9949","0.0005","18.6326","0.0008","18.9129","0.0008","90","","94.109","0.002","90","","4216.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N7 Nd O4 P -","- C39 H63 N7 Nd O4 P -","- C156 H252 N28 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0398","0.0281","","","0.0746","0.0892","","","","","","1.193","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515210","16.5739","0.0008","17.6173","0.0008","27.2443","0.0013","90","","94.233","0.002","90","","7933.3","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N4 Nd O7 P -","- C36 H54 N4 Nd O7 P -","- C288 H432 N32 Nd8 O56 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0312","0.0305","","","0.0721","0.0726","","","","","","1.045","","","","has coordinates,has disorder","220317","2020-10-21","18:00:00",""
"4515211","16.4859","0.0005","17.8257","0.0005","27.8903","0.0008","90","","92.188","0.001","90","","8190.2","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H60 N4 Nd O4 P -","- C39 H60 N4 Nd O4 P -","- C312 H480 N32 Nd8 O32 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0321","0.0298","","","0.0692","0.0706","","","","","","1.033","","","","has coordinates,has disorder","220317","2020-10-21","18:00:00",""
"4515212","11.5283","0.0007","12.1595","0.0008","16.8509","0.001","86.866","0.002","85.925","0.002","76.097","0.002","2285.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H72 N4 Nd O4 P -","- C45 H72 N4 Nd O4 P -","- C90 H144 N8 Nd2 O8 P2 -","2","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.019","0.0172","","","0.0489","0.0538","","","","","","1.262","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515213","11.8184","0.0008","14.1946","0.0012","19.7841","0.0018","89.948","0.003","89.399","0.004","71.741","0.003","3151.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 Dy N4 O3 -","- C33 H45 Dy N4 O3 -","- C132 H180 Dy4 N16 O12 -","4","2","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0316","0.0201","","","0.0373","0.0409","","","","","","1.054","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515214","14.5413","0.0004","18.4181","0.0004","15.8401","0.0004","90","","91.075","0.001","90","","4241.6","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 N4 Nd O4 P -","- C42 H66 N4 Nd O4 P -","- C168 H264 N16 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0174","0.0163","","","0.0377","0.0386","","","","","","1.11","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515215","16.1024","0.0004","13.8935","0.0004","17.4194","0.0005","90","","93.326","0.001","90","","3890.48","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Dy N4 O4 P -","- C39 H60 Dy N4 O4 P -","- C156 H240 Dy4 N16 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0238","0.0186","","","0.0394","0.0414","","","","","","1.035","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515216","11.903","0.002","18.563","0.003","18.834","0.003","90","","94.039","0.009","90","","4151.1","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Dy N7 O4 P -","- C39 H63 Dy N7 O4 P -","- C156 H252 Dy4 N28 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0362","0.0246","","","0.0539","0.0573","","","","","","1.029","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515217","12.054","0.0005","18.776","0.001","18.8372","0.0009","90","","90.503","0.002","90","","4263.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Dy N4 O4 P -","- C42 H66 Dy N4 O4 P -","- C168 H264 Dy4 N16 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0299","0.0237","","","0.0565","0.0593","","","","","","1.029","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515218","6.217","0.002","7.746","0.003","9.321","0.003","90","","109.041","0.005","90","","424.3","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C16 H26 N2 O8 -","2","1","","Sagawa, Takuya; Kobayashi, Hirokazu; Murata, Chinatsu; Shichibu, Yukatsu; Konishi, Katsuaki; Fukuoka, Atsushi","Catalytic Conversion of a Chitin-Derived Sugar Alcohol to an Amide-Containing Isosorbide Analog","ACS Sustainable Chemistry & Engineering","2019","7","17","14883","","10.1021/acssuschemeng.9b02985","","","0.71073","MoKα","","0.0357","0.0313","","","0.0664","0.0685","","","","","","1.079","","","","has coordinates","220318","2020-10-21","18:00:00",""
"4515219","18.1977","0.0005","8.4952","0.0002","19.6349","0.0005","90","","111.389","0.003","90","","2826.36","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H94 Cl6 N4 O4 Sn -","- C44 H94 Cl6 N4 O4 Sn -","- C88 H188 Cl12 N8 O8 Sn2 -","2","0.5","","Doidge, Euan D.; Kinsman, Luke M. M.; Ji, Yiran; Carson, Innis; Duffy, Andrew J.; Kordas, Izabela A.; Shao, Eddie; Tasker, Peter A.; Ngwenya, Bryne T.; Morrison, Carole A.; Love, Jason B.","Evaluation of Simple Amides in the Selective Recovery of Gold from Secondary Sources by Solvent Extraction","ACS Sustainable Chemistry & Engineering","2019","7","17","15019","","10.1021/acssuschemeng.9b03436","","","0.71073","MoKα","","0.04","0.0309","","","0.1072","0.1192","","","","","","0.892","","","","has coordinates","220319","2020-10-21","18:00:00",""
"4515220","39.1","0.002","39.1","0.002","16.7147","0.0009","90","","90","","120","","22130","2","210","","210","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5 -","- C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5 -","- C257.52 H120 Cl3 Cr3 O96 Zr18 -","12","0.5","","Goetjen, Timothy A.; Zhang, Xuan; Liu, Jian; Hupp, Joseph T.; Farha, Omar K.","Metal‒Organic Framework Supported Single Site Chromium(III) Catalyst for Ethylene Oligomerization at Low Pressure and Temperature","ACS Sustainable Chemistry & Engineering","2019","7","2","2553","","10.1021/acssuschemeng.8b05524","","","1.54178","CuKα","","0.1642","0.1403","","","0.3816","0.4006","","","","","","1.401","","","","has coordinates,has disorder","220320","2020-10-21","18:00:00",""
"4515221","13.0502","0.0007","4.5002","0.0002","15.3524","0.0008","90","","99.661","0.005","90","","888.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl I O -","- C8 H8 Cl I O -","- C32 H32 Cl4 I4 O4 -","4","1","","Yi, Wei; Wang, Peng-Fei; Lu, Meng; Liu, Qian-Qian; Bai, Xue; Chen, Kai-Die; Zhang, Jing-Wen; Liu, Gong-Qing","Environmentally Friendly Protocol for the Oxidative Iodofunctionalization of Olefins in a Green Solvent","ACS Sustainable Chemistry & Engineering","2019","7","19","16777","","10.1021/acssuschemeng.9b04298","","x-ray","0.71073","MoKα","","0.0198","0.0189","","","0.0455","0.0461","","","","","","1.077","","","","has coordinates","220321","2020-10-21","18:00:00",""
"4515222","9.1158","0.0005","32.969","0.002","19.0369","0.0011","90","","98.12","0.002","90","","5664","0.6","110","2","110.48","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H67 N8 O6 -","- C68 H67 N8 O6 -","- C272 H268 N32 O24 -","4","1","","Paul, Suparna; Bhuyan, Samuzal; Mukhopadhyay, Subhra Kanti; Murmu, Naresh Chandra; Banerjee, Priyabrata","Sensitive and Selective in Vitro Recognition of Biologically Toxic As(III) by Rhodamine Based Chemoreceptor","ACS Sustainable Chemistry & Engineering","2019","7","16","13687","","10.1021/acssuschemeng.9b00935","","","0.71073","MoKα","","0.1123","0.0597","","","0.1411","0.1759","","","","","","1.017","","","","has coordinates,has disorder","220322","2020-10-21","18:00:00",""
"4515223","9.6843","0.0005","15.0889","0.0007","16.578","0.0008","89.55","0.001","78.093","0.001","81.195","0.002","2341.7","0.2","153","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 F18 I2 N2 O2 -","- C46 H34 F18 I2 N2 O2 -","- C92 H68 F36 I4 N4 O4 -","2","1","","Wang, Shuo-Wen; Yu, Jian; Zhou, Qin-Yi; Chen, Si-Yu; Xu, Zhen-Hua; Tang, Shi","Visible-Light-Induced Atom Transfer Radical Addition and Cyclization of Perfluoroalkyl Halides with 1,n-Enynes","ACS Sustainable Chemistry & Engineering","2019","7","11","10154","","10.1021/acssuschemeng.9b02178","","","0.71073","MoKα","","0.0489","0.0379","","","0.0874","0.0924","","","","","","1.027","","","","has coordinates,has disorder","220323","2020-10-21","18:00:00",""
"4515224","11.21892","0.00011","11.41336","0.00011","47.0823","0.0004","90","","90","","90","","6028.68","0.1","100.01","0.1","100","0.1","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 F6 N4 O4 S2 -","- C8 H10 F6 N4 O4 S2 -","- C128 H160 F96 N64 O64 S32 -","16","4","","Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David","Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation","ACS Sustainable Chemistry & Engineering","2019","7","12","10241","","10.1021/acssuschemeng.9b01903","","x-ray","1.54184","","","0.0354","0.0334","","","0.0783","0.0791","","","","","","1.05","","","","has coordinates","220324","2020-10-21","18:00:00",""
"4515225","18.5028","0.0007","11.5294","0.0005","20.0879","0.0008","90","","90","","90","","4285.3","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H30 Cu6 N12 O0 S6 -","- C30 H30 Cu6 N12 S6 -","- C120 H120 Cu24 N48 S24 -","4","1","","Wang, XiaoXuan; Xu, XinXin; Liu, Ning; Shi, Fa-Nian; Shi, GuiMei","Zn‒H+ Battery, Versatile Energy Conversion Equipment for Electricity Generation and H2 Production Simultaneously","ACS Sustainable Chemistry & Engineering","2019","7","12","10979","","10.1021/acssuschemeng.9b02048","","","0.71073","MoKα","","0.078","0.0674","","","0.1925","0.2012","","","","","","1.426","","","","has coordinates","220325","2020-10-21","18:00:00",""
"4515226","17.598","0.0005","18.303","0.0005","13.82","0.0004","90","","113.671","0.001","90","","4076.9","0.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","catena-{[Cu2(amp)4Cl][Cr(ox)3].6H2O","","","- C30 H40 Cl Cr Cu2 N8 O18 -","- C30 H40 Cl Cr Cu2 N8 O18 -","- C120 H160 Cl4 Cr4 Cu8 N32 O72 -","4","0.5","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.054","0.0381","","","0.1069","0.1185","","","","","","1.069","","","","has coordinates","220337","2020-10-21","18:00:00",""
"4515227","17.568","0.005","16.601","0.005","13.578","0.005","90","","68.486","0.005","90","","3684","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","catena-{[Cu2(amp)4Cl][Cr(ox)3].H2O","","","- C30 H34 Cl Cr Cu2 N8 O13 -","- C30 H34 Cl Cr Cu2 N8 O13 -","- C120 H136 Cl4 Cr4 Cu8 N32 O52 -","4","1","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.0849","0.0604","","","0.1114","0.1272","","","","","","1.108","","","","has coordinates","220338","2020-10-21","18:00:00",""
"4515228","17.5565","0.0011","16.4806","0.0013","13.67","0.0013","90","","68.052","0.002","90","","3668.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","catena-{[Cu2(amp)4Cl][Fe(ox)3]}.H2O","","","- C30 H34 Cl Cu2 Fe N8 O13 -","- C30 H34 Cl Cu2 Fe N8 O13 -","- C120 H136 Cl4 Cu8 Fe4 N32 O52 -","4","1","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.107","0.0459","","","0.0917","0.1147","","","","","","1.118","","","","has coordinates","220339","2020-10-21","18:00:00",""
"4515229","17.625","0.0007","18.391","0.0007","13.878","0.0006","90","","114.032","0.002","90","","4108.5","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","catena-{[Cu2(amp)4Cl][Fe(ox)3].6H2O","","","- C30 H40 Cl Cu2 Fe N8 O18 -","- C30 H40 Cl Cu2 Fe N8 O18 -","- C120 H160 Cl4 Cu8 Fe4 N32 O72 -","4","0.5","","Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph","Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control","Crystal Growth & Design","2019","19","5","2869","","10.1021/acs.cgd.9b00097","","","0.71073","MoKα","","0.0547","0.0391","","","0.1131","0.1232","","","","","","1.047","","","","has coordinates","220340","2020-10-21","18:00:00",""
"4515230","8.4596","0.0006","11.7043","0.0008","11.7936","0.0007","94.205","0.002","97.688","0.003","101.396","0.002","1128.42","0.13","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Co F6 I N3 Sb -","- C18 H22 Co F6 I N3 Sb -","- C36 H44 Co2 F12 I2 N6 Sb2 -","2","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0656","0.0398","","","0.1134","0.1311","","","","","","0.908","","","","has coordinates","220498","2020-10-21","18:00:00",""
"4515231","11.2569","0.0011","17.2345","0.0016","14.4525","0.0013","90","","102.365","0.005","90","","2738.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Co F12 N4 Sb2 -","- C20 H25 Co F12 N4 Sb2 -","- C80 H100 Co4 F48 N16 Sb8 -","4","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0672","0.0497","","","0.1163","0.1254","","","","","","1.03","","","","has coordinates","220499","2020-10-21","18:00:00",""
"4515232","7.941","0.0004","9.4593","0.0005","15.292","0.0007","76.521","0.002","86.356","0.002","65.536","0.002","1016.05","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 F3 N3 O3 S -","- C23 H16 F3 N3 O3 S -","- C46 H32 F6 N6 O6 S2 -","2","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0935","0.0554","","","0.148","0.172","","","","","","1.111","","","","has coordinates","220500","2020-10-21","18:00:00",""
"4515233","15.637","0.002","8.3901","0.0012","17.491","0.003","90","","94.402","0.007","90","","2288","0.6","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 Co I2 N3 -","- C19 H24 Cl2 Co I2 N3 -","- C76 H96 Cl8 Co4 I8 N12 -","4","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.0517","0.0352","","","0.1051","0.1189","","","","","","0.847","","","","has coordinates","220501","2020-10-21","18:00:00",""
"4515234","14.118","0.0012","8.4571","0.0007","21.1896","0.0018","90","","106.515","0.003","90","","2425.6","0.4","140","2","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F3 N4 O3 S -","- C26 H21 F3 N4 O3 S -","- C104 H84 F12 N16 O12 S4 -","4","1","","Dutta, Champak; Rana, Samim Sohel; Choudhury, Joyanta","Leveraging Metallotropism-Enabled Substrate Activation in Cobalt-Catalyzed Annulation Chemistry: Protic NHC Template Is the Key","ACS Catalysis","2019","","","10674","","10.1021/acscatal.9b04125","","","0.71073","MoKα","","0.2011","0.1016","","","0.1442","0.1722","","","","","","1.094","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4515235","11.8576","0.0009","9.505","0.0007","31.686","0.003","90","","90","","90","","3571.2","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RD-4-34","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C144 H184 N8 O24 -","8","1","","Dhungana, Roshan K.; KC, Shekhar; Basnet, Prakash; Aryal, Vivek; Chesley, Lucas J.; Giri, Ramesh","Ni(I)-Catalyzed β,δ-Vinylarylation of γ,δ-Alkenyl α-Cyanocarboxylic Esters via Contraction of Transient Nickellacycles","ACS Catalysis","2019","","","10887","","10.1021/acscatal.9b03574","","","0.71073","MoKα","","0.09","0.0554","","","0.1144","0.1273","","","","","","1.12","","","","has coordinates","222061","2020-10-21","18:00:00",""
"4515236","12.443","0.004","7.738","0.003","16.21","0.005","90","","104.113","0.016","90","","1513.7","0.9","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O3 -","- C19 H13 F3 O3 -","- C76 H52 F12 O12 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0446","0.0361","","","0.1028","0.1292","","","","","","1.223","","","","has coordinates","222062","2020-10-21","18:00:00",""
"4515237","9.4722","0.0007","10.8657","0.0009","14.4561","0.0011","90","","106.803","0.008","90","","1424.3","0.2","293.75","0.1","293.75","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","x-ray","0.71073","MoKα","","0.1011","0.0543","","","0.1182","0.1511","","","","","","1.045","","","","has coordinates","222063","2020-10-21","18:00:00",""
"4515238","8.1685","0.0003","19.6127","0.0008","19.5534","0.0006","90","","97.271","0.003","90","","3107.4","0.2","275.21","0.1","275.21","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O2 -","- C19 H16 Cl N O2 -","- C152 H128 Cl8 N8 O16 -","8","2","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0844","0.0512","","","0.1068","0.1251","","","","","","1.02","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4515239","13.1381","0.0007","7.8049","0.0005","14.7103","0.0009","90","","96.826","0.005","90","","1497.72","0.16","295.25","0.1","295.25","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0809","0.0507","","","0.1124","0.1355","","","","","","1.055","","","","has coordinates","222065","2020-10-21","18:00:00",""
"4515240","6.2893","0.0005","20.9264","0.0018","11.5081","0.001","90","","98.463","0.003","90","","1498.1","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H16.741 N O2 -","- C76 H66.964 N4 O8 -","4","1","","Zeng, Qian; Dong, Kuiyong; Pei, Chao; Dong, Shanliang; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang","Divergent Construction of Macrocyclic Alkynes via Catalytic Metal Carbene C(sp2)‒H Insertion and the Buchner Reaction","ACS Catalysis","2019","","","10773","","10.1021/acscatal.9b04199","","","0.71073","MoKα","","0.0889","0.0655","","","0.1594","0.1719","","","","","","1.051","","","","has coordinates,has disorder","222066","2020-10-21","18:00:00",""
"4515241","11.687","0.006","13.565","0.007","18.665","0.009","102.623","0.009","92.254","0.004","107.835","0.01","2731","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H72 Cu N2 O6 -","- C62 H72 Cu N2 O6 -","- C124 H144 Cu2 N4 O12 -","2","1","","Jangir, Ritambhara; Ansari, Mursaleem; Kaleeswaran, Dhananjayan; Rajaraman, Gopalan; Palaniandavar, Mallayan; Murugavel, Ramaswamy","Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity","ACS Catalysis","2019","","","10940","","10.1021/acscatal.9b02326","","","0.71075","MoKα","","0.1034","0.0885","","","0.167","0.1749","","","","","","1.182","","","","has coordinates","223243","2020-10-21","18:00:00",""
"4515242","21.901","0.014","24.944","0.016","29.952","0.018","90","","90","","90","","16363","18","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C42 H50 Cu N2 O2 -","- C42 H50 Cu N2 O2 -","- C672 H800 Cu16 N32 O32 -","16","0.5","","Jangir, Ritambhara; Ansari, Mursaleem; Kaleeswaran, Dhananjayan; Rajaraman, Gopalan; Palaniandavar, Mallayan; Murugavel, Ramaswamy","Unprecedented Copper(II) Complex with a Topoquinone-like Moiety as a Structural and Functional Mimic for Copper Amine Oxidase: Role of Copper(II) in the Genesis and Amine Oxidase Activity","ACS Catalysis","2019","","","10940","","10.1021/acscatal.9b02326","","","1.54187","CuKα","","0.1441","0.1263","","","0.3451","0.3622","","","","","","1.139","","","","has coordinates","223243","2020-10-21","18:00:00",""
"4515243","10.0017","0.0015","14.488","0.002","15.422","0.003","90","","104.4","0.003","90","","2164.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Ag N7 O6 -","- C18 H20 Ag N7 O6 -","- C72 H80 Ag4 N28 O24 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0506","0.0436","","","0.1087","0.1137","","","","","","1.07","","","","has coordinates","223361","2020-10-21","18:00:00",""
"4515244","9.6747","0.0012","14.9827","0.0018","14.77","0.002","90","","106.674","0.014","90","","2050.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Ag Cr N6 O4.5 -","- C17 H14 Ag Cr N6 O4.5 -","- C68 H56 Ag4 Cr4 N24 O18 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.105","0.0908","","","0.2127","0.219","","","","","","1.19","","","","has coordinates,has disorder","223361","2020-10-21","18:00:00",""
"4515245","10.451","0.006","14.546","0.008","15.362","0.007","90","","116","0.03","90","","2099","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Ag N8 O4 -","- C19 H17 Ag N8 O4 -","- C76 H68 Ag4 N32 O16 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0389","0.0314","","","0.0792","0.0851","","","","","","1.063","","","","has coordinates","223361","2020-10-21","18:00:00",""
"4515246","9.5768","0.0007","18.3357","0.0013","10.6982","0.0008","90","","107.712","0.002","90","","1789.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag Cr N6 O3.5 -","- C17 H12 Ag Cr N6 O3.5 -","- C68 H48 Ag4 Cr4 N24 O14 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0647","0.0587","","","0.1303","0.1342","","","","","","1.058","","","","has coordinates,has disorder","223361","2020-10-21","18:00:00",""
"4515247","17.181","0.009","8.894","0.005","18.218","0.009","90","","99.351","0.009","90","","2747","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Ag B F4 N8 O2 -","- C23 H26 Ag B F4 N8 O2 -","- C92 H104 Ag4 B4 F16 N32 O8 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.1206","0.0549","","","0.1265","0.1572","","","","","","1.025","","","","has coordinates","223361","2020-10-21","18:00:00",""
"4515248","9.4255","0.0008","20.3962","0.0016","10.423","0.0008","90","","108.198","0.002","90","","1903.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Ag Cr N6 O5.5 -","- C17 H16 Ag Cr N6 O5.5 -","- C68 H64 Ag4 Cr4 N24 O22 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0391","0.033","","","0.0751","0.078","","","","","","1.052","","","","has coordinates,has disorder","223361","2020-10-21","18:00:00",""
"4515249","9.8123","0.0004","13.7736","0.0006","15.8082","0.0007","90","","102.801","0.001","90","","2083.39","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag N6 O4 Re -","- C17 H12 Ag N6 O4 Re -","- C68 H48 Ag4 N24 O16 Re4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0998","0.0916","","","0.2131","0.2196","","","","","","1.113","","","","has coordinates,has disorder","223361","2020-10-21","18:00:00",""
"4515250","9.3392","0.0003","18.3221","0.0003","11.5364","0.0004","90","","106.352","0.004","90","","1894.19","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag N6 O4 Re -","- C17 H12 Ag N6 O4 Re -","- C68 H48 Ag4 N24 O16 Re4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0464","0.0333","","","0.0664","0.0716","","","","","","1.035","","","","has coordinates","223361","2020-10-21","18:00:00",""
"4515251","7.704","0.0011","14.071","0.002","16.55","0.002","90","","95.531","0.003","90","","1785.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag N6 O4 Re -","- C17 H12 Ag N6 O4 Re -","- C68 H48 Ag4 N24 O16 Re4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Wang, Jia-Jun; Liu, Bo-Lan; Wang, Si; Yang, Xi; Wang, Zhong-Liang; Liu, Chun-Sen; Du, Miao; Zhou, Wuzong","Mechanism-Property Correlation in Coordination Polymer Crystals towards Design of Superior Sorbent.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16386","","","0.71073","MoKα","","0.0309","0.026","","","0.0639","0.0669","","","","","","1.03","","","","has coordinates","223361","2020-10-21","18:00:00",""
"4515252","9.2224","0.0002","8.97","0.0002","11.92","0.0003","90","","112.477","0.0009","90","","911.17","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 O3 -","- C24 H16 N2 O3 -","- C48 H32 N4 O6 -","2","1","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","1.54178","CuKα","","0.0482","0.0473","","","0.1163","0.117","","","","","","1.083","","","","has coordinates","223363","2020-10-21","18:00:00",""
"4515253","8.4139","0.0008","8.7598","0.0011","11.5432","0.0014","104.951","0.006","108.859","0.007","96.299","0.005","760.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N2 O5 S -","- C18 H12 N2 O5 S -","- C36 H24 N4 O10 S2 -","2","1","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","0.71073","MoKα","","0.0806","0.0521","","","0.1015","0.118","","","","","","1.05","","","","has coordinates","223364","2020-10-21","18:00:00",""
"4515254","9.9025","0.0007","8.5425","0.0005","26.6115","0.0016","90","","97.442","0.002","90","","2232.2","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H17 F3 N2 O4 S -","- C26 H17 F3 N2 O4 S -","- C104 H68 F12 N8 O16 S4 -","4","2","","Yang, Xing; Luo, Guoyong; Zhou, Liejin; Liu, Bin; Zhang, Xiaolei; Gao, Hui; Jin, Zhichao; Chi, Yonggui Robin","Enantioselective Indole N‒H Functionalization Enabled by Addition of Carbene Catalyst to Indole Aldehyde at Remote Site","ACS Catalysis","2019","","","10971","","10.1021/acscatal.9b03163","","","0.71073","MoKα","","0.079","0.0526","","","0.1003","0.116","","","","","","1.069","","","","has coordinates","223365","2020-10-21","18:00:00",""
"4515255","15.6","0.011","15.771","0.011","16.342","0.01","90","","99.93","0.03","90","","3960","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Cl3 N2 Ni O -","- C45 H31 Cl3 N2 Ni O -","- C180 H124 Cl12 N8 Ni4 O4 -","4","1","","Capdevila, Lorena; Meyer, Tjark H.; Roldán-Gómez, Steven; Luis, Josep M.; Ackermann, Lutz; Ribas, Xavi","Chemodivergent Nickel(0)-Catalyzed Arene C‒F Activation with Alkynes: Unprecedented C‒F/C‒H Double Insertion","ACS Catalysis","2019","","","11074","","10.1021/acscatal.9b03620","","","0.71073","MoKα","","0.0371","0.0287","","","0.0693","0.0744","","","","","","1.029","","","","has coordinates,has disorder","224253","2020-10-21","18:00:00",""
"4515432","25.4167","0.0002","25.4167","0.0002","25.4167","0.0002","90","","90","","90","","16419.4","0.2","296","2","296.15","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C108 N6 O16 Zr3 -","- C108 N6 O16 Zr3 -","- C216 N12 O32 Zr6 -","2","0.0416667","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.0843","0.0786","","","0.245","0.2526","","","","","","1.189","","","","has coordinates,has disorder","225586","2020-10-21","18:00:00",""
"4515433","25.4024","0.0001","25.4024","0.0001","25.4024","0.0001","90","","90","","90","","16391.7","0.11","296","2","296.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 Fe3 N12 O32 Zr6 -","- C216 Fe3 N12 O32 Zr6 -","- C216 Fe3 N12 O32 Zr6 -","1","0.0208333","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.0666","0.062","","","0.1697","0.1729","","","","","","1.179","","","","has coordinates,has disorder","225587","2020-10-21","18:00:00",""
"4515434","25.3953","0.0002","25.3953","0.0002","25.3953","0.0002","90","","90","","90","","16378","0.2","296","2","296.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 Cu3 N12 O32 Zr6 -","- C216 Cu3 N12 O32 Zr6 -","- C216 Cu3 N12 O32 Zr6 -","1","0.0208333","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.1037","0.1009","","","0.2706","0.2737","","","","","","1.116","","","","has coordinates,has disorder","225588","2020-10-21","18:00:00",""
"4515435","31.4167","0.0002","31.4167","0.0002","31.4167","0.0002","90","","90","","90","","31008.6","0.3","296","2","296.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C288 Cu3 N12 O32 Zr6 -","- C288 Cu3 N12 O32 Zr6 -","- C288 Cu3 N12 O32 Zr6 -","1","0.0208333","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.0777","0.0752","","","0.2212","0.2259","","","","","","1.129","","","","has coordinates,has disorder","225589","2020-10-21","18:00:00",""
"4515436","6.6666","0.0006","10.8671","0.0009","16.3934","0.0014","74.003","0.004","85.192","0.004","78.542","0.004","1118.37","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H28 N10 -","- C54 H28 N10 -","- C54 H28 N10 -","1","0.5","","Jin, Jianqun; Long, Guankui; Gao, Yongqian; Zhang, Jing; Ou, Changjin; Zhu, Caixia; Xu, Haixiao; Zhao, Jianfeng; Zhang, Mingtao; Huang, Wei","Supramolecular Design of Donor-Acceptor Complexes via Heteroatom Replacement toward Structure and Electrical Transporting Property Tailoring.","ACS applied materials & interfaces","2019","11","1","1109","1116","10.1021/acsami.8b16561","","","1.54178","CuKα","","0.0878","0.0656","","","0.1624","0.1797","","","","","","1.03","","","","has coordinates","225590","2020-10-21","18:00:00",""
"4515437","7.311","0.006","9.744","0.007","28.77","0.02","90","","91.9","0.01","90","","2048","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 N6 -","- C26 H13 N6 -","- C104 H52 N24 -","4","1","","Jin, Jianqun; Long, Guankui; Gao, Yongqian; Zhang, Jing; Ou, Changjin; Zhu, Caixia; Xu, Haixiao; Zhao, Jianfeng; Zhang, Mingtao; Huang, Wei","Supramolecular Design of Donor-Acceptor Complexes via Heteroatom Replacement toward Structure and Electrical Transporting Property Tailoring.","ACS applied materials & interfaces","2019","11","1","1109","1116","10.1021/acsami.8b16561","","","0.71073","MoKα","","0.1166","0.0496","","","0.1113","0.1327","","","","","","0.877","","","","has coordinates","225591","2020-10-21","18:00:00",""
"4515438","11.4869","0.0017","13.353","0.002","16.424","0.003","95.203","0.004","102.662","0.004","111.433","0.004","2247.1","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H28 N14 O0 -","- C58 H28 N14 -","- C116 H56 N28 -","2","1","","Jin, Jianqun; Long, Guankui; Gao, Yongqian; Zhang, Jing; Ou, Changjin; Zhu, Caixia; Xu, Haixiao; Zhao, Jianfeng; Zhang, Mingtao; Huang, Wei","Supramolecular Design of Donor-Acceptor Complexes via Heteroatom Replacement toward Structure and Electrical Transporting Property Tailoring.","ACS applied materials & interfaces","2019","11","1","1109","1116","10.1021/acsami.8b16561","","","0.71073","MoKα","","0.1757","0.0954","","","0.2038","0.229","","","","","","1.015","","","","has coordinates","225592","2020-10-21","18:00:00",""
"4515439","14.1634","0.0015","13.0871","0.0013","17.0084","0.0018","90","","109.625","0.004","90","","2969.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl2 O6 -","- C31 H34 Cl2 O6 -","- C124 H136 Cl8 O24 -","4","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.162","0.0819","","","0.2337","0.3013","","","","","","1.039","","","","has coordinates","225593","2020-10-21","18:00:00",""
"4515440","8.3088","0.0006","11.9427","0.0009","17.7977","0.0013","80.267","0.003","84.661","0.003","70.483","0.003","1639.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H42 O6 -","- C38 H42 O6 -","- C76 H84 O12 -","2","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.1208","0.0806","","","0.2515","0.2816","","","","","","1.054","","","","has coordinates","225594","2020-10-21","18:00:00",""
"4515441","5.1831","0.0006","16.4627","0.0019","14.3407","0.0016","90","","91.332","0.002","90","","1223.3","0.2","273","","273","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.0595","0.0439","","","0.1103","0.1198","","","","","","1.035","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4515442","7.9769","0.0005","10.0672","0.0006","16.9845","0.001","76.037","0.002","84.077","0.002","78.348","0.002","1294.23","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.151","0.0611","","","0.1097","0.1415","","","","","","1.001","","","","has coordinates","225596","2020-10-21","18:00:00",""
"4515443","7.9875","0.0015","11.333","0.002","15.342","0.003","82.119","0.004","84.605","0.004","86.509","0.004","1368","0.4","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","1","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.1311","0.0962","","","0.2634","0.2916","","","","","","1.068","","","","has coordinates","225597","2020-10-21","18:00:00",""
"4515444","9.2582","0.001","10.8655","0.0011","14.1818","0.0013","95.074","0.004","101.207","0.004","109.104","0.004","1304.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H64 O12 -","- C60 H64 O12 -","- C60 H64 O12 -","1","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.0848","0.0737","","","0.1465","0.1646","","","","","","1.218","","","","has coordinates","225598","2020-10-21","18:00:00",""
"4515445","14.4791","0.0017","13.0125","0.0013","16.8365","0.0017","90","","109.243","0.004","90","","2994.9","0.6","196","2","196.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C120 H144 O32 -","4","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.1009","0.0717","","","0.1424","0.1824","","","","","","1.16","","","","has coordinates","225599","2020-10-21","18:00:00",""
"4515446","8.026","0.002","11.441","0.004","15.479","0.005","81.581","0.011","84.627","0.011","86.239","0.01","1397.9","0.8","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","1","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71076","MoKα","","0.1158","0.1017","","","0.3522","0.368","","","","","","1.137","","","","has coordinates","225600","2020-10-21","18:00:00",""
"4515447","16.3087","0.0008","16.3087","0.0008","6.4947","0.0003","90","","90","","90","","1727.42","0.14","120","","120","","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C6 H3 Cd N2 Na O4 -","- C6 H3 Cd N2 Na O4 -","- C48 H24 Cd8 N16 Na8 O32 -","8","0.5","","Liu, Ruilan; Liu, Yaru; Yu, Shihang; Yang, Chenglin; Li, Zifeng; Li, Gang","A Highly Proton-Conductive 3D Ionic Cadmium-Organic Framework for Ammonia and Amines Impedance Sensing.","ACS applied materials & interfaces","2019","11","1","1713","1722","10.1021/acsami.8b18891","","","0.71073","MoKα","","0.0501","0.0442","","","0.1104","0.1145","","","","","","1.147","","","","has coordinates,has disorder","225601","2020-10-21","18:00:00",""
"4515448","6.3029","0.0008","6.3029","0.0008","6.3029","0.0008","90","","90","","90","","250.39","0.06","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C H5 I3 N Pb -","- C0.9996 H5.0002 I3 N0.9996 Pb -","- C0.9996 H5.0002 I3 N0.9996 Pb -","1","0.0416667","","Shao, Feng; Qin, Peng; Wang, Dong; Zhang, Guoqing; Wu, Bo; He, Jianqiao; Peng, Wei; Sum, Tze Chien; Wang, Deliang; Huang, Fuqiang","Enhanced Photovoltaic Performance and Thermal Stability of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite through Lattice Symmetrization.","ACS applied materials & interfaces","2019","11","1","740","746","10.1021/acsami.8b17068","","","0.71073","MoKα","","0.0153","0.0153","","","0.035","0.035","","","","","","1.173","","","","has coordinates","225602","2020-10-21","18:00:00",""
"4515449","16.6968","0.0009","16.6968","0.0009","18.9684","0.001","90","","90","","120","","4579.6","0.4","200","2","200","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C45 H30 Br Co3 N15 O7 -","- C45 H30 Br1.0002 Co3 N15 O7 -","- C90 H60 Br2.0004 Co6 N30 O14 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0469","0.0368","","","0.0941","0.0988","","","","","","1.004","","","","has coordinates,has disorder","225603","2020-10-21","18:00:00",""
"4515450","16.8384","0.001","16.8384","0.001","19.0516","0.0013","90","","90","","120","","4678","0.5","200","2","200","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C46 H30 Co3 N16 O7 S -","- C46.002 H30 Co3 N16.002 O7 S1.001 -","- C92.004 H60 Co6 N32.004 O14 S2.002 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0754","0.0644","","","0.1459","0.1539","","","","","","1.072","","","","has coordinates,has disorder","225604","2020-10-21","18:00:00",""
"4515451","16.7567","0.0005","16.7567","0.0005","19.0343","0.0007","90","","90","","120","","4628.5","0.3","200","2","200","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C45 H30 Co3 N16 O10 -","- C45 H30 Co3 N16.0002 O10.0006 -","- C90 H60 Co6 N32.0004 O20.0012 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.048","0.0404","","","0.088","0.0923","","","","","","1.045","","","","has coordinates,has disorder","225605","2020-10-21","18:00:00",""
"4515452","16.7599","0.0005","16.7599","0.0005","29.0651","0.0009","90","","90","","120","","7070.4","0.4","200","2","200","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C63 H42 B Co3 F4 N15 O7 -","- C67.23 H42 B Co3 F4 N15 O7 -","- C134.46 H84 B2 Co6 F8 N30 O14 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0551","0.0501","","","0.1168","0.1188","","","","","","1.103","","","","has coordinates,has disorder","225606","2020-10-21","18:00:00",""
"4515453","16.6267","0.0003","16.6267","0.0003","28.9795","0.0007","90","","90","","120","","6938","0.2","200","2","200","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C63 H42 Co3 N16 O10 -","- C63 H42 Co3 N16.0002 O10.0006 -","- C126 H84 Co6 N32.0004 O20.0012 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0333","0.0329","","","0.0715","0.0717","","","","","","1.033","","","","has coordinates,has disorder","225607","2020-10-21","18:00:00",""
"4515454","16.6264","0.0007","16.6264","0.0007","24.25","0.0013","90","","90","","120","","5805.5","0.5","200","2","200","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C57 H36 Co3 N15 O7 -","- C57 H36 Co3 N15 O7 -","- C114 H72 Co6 N30 O14 -","2","0.333333","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0795","0.0517","","","0.1344","0.1491","","","","","","1.004","","","","has coordinates,has disorder","225608","2020-10-21","18:00:00",""
"4515455","16.6138","0.0008","16.6138","0.0008","24.2258","0.0012","90","","90","","120","","5790.9","0.5","200","2","200","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C57 H36 Cl Co3 N15 O11 -","- C57 H36 Cl Co3 N15 O10.9996 -","- C114 H72 Cl2 Co6 N30 O21.9992 -","2","0.333333","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0945","0.0587","","","0.1499","0.179","","","","","","1.045","","","","has coordinates,has disorder","225609","2020-10-21","18:00:00",""
"4515456","12.4957","0.0018","12.624","0.0017","14.069","0.002","77.346","0.007","86.013","0.008","76.532","0.007","2105.5","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","rl021","","","- C50 H42 F2 N6 O4 Zn -","- C50 H42 F2 N6 O4 Zn -","- C100 H84 F4 N12 O8 Zn2 -","2","1","","Vaden, Rachel M.; Guillen, Katrin P.; Salvant, Justin M.; Santiago, Celine B.; Gibbons, Joseph B.; Pathi, Satya S.; Arunachalam, Sasi; Sigman, Matthew S.; Looper, Ryan E.; Welm, Bryan E.","A Cancer-Selective Zinc Ionophore Inspired by the Natural Product Naamidine A.","ACS chemical biology","2019","14","1","106","117","10.1021/acschembio.8b00977","","","0.71073","MoKα","","0.0546","0.0375","","","0.0941","0.0992","","","","","","1.084","","","","has coordinates,has disorder","225610","2020-10-21","18:00:00",""
"4515465","8.473","0.0001","17.4446","0.0003","9.0374","0.0001","90","","94.072","0.001","90","","1332.43","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","","Fu, Niankai; Shen, Yifan; Allen, Anthony R.; Song, Lu; Ozaki, Atsushi; Lin, Song","Mn-Catalyzed Electrochemical Chloroalkylation of Alkenes.","ACS catalysis","2019","9","1","746","754","10.1021/acscatal.8b03209","","x-ray","1.54184","CuKα","","0.0453","0.0441","","","0.1124","0.1132","","","","","","1.072","","","","has coordinates","225620","2020-10-21","18:00:00",""
"4515466","11.8498","0.0001","9.5906","0.0001","14.708","0.0002","90","","96.008","0.001","90","","1662.33","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 F3 N O4 -","- C18 H14 F3 N O4 -","- C72 H56 F12 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0441","0.0408","","","0.1144","0.1176","","","","","","1.064","","","","has coordinates,has disorder","225621","2020-10-21","18:00:00",""
"4515467","13.5517","0.0003","9.2461","0.0001","11.8061","0.0003","90","","106.796","0.002","90","","1416.2","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0478","0.0458","","","0.1229","0.1249","","","","","","1.051","","","","has coordinates","225622","2020-10-21","18:00:00",""
"4515468","9.8665","0.0007","19.0145","0.0013","31.36","0.002","90","","90","","90","","5883.3","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H79 N6 O15 P -","- C60 H79 N6 O15 P -","- C240 H316 N24 O60 P4 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0565","0.0476","","","0.1271","0.1348","","","","","","1.048","","","","has coordinates","225623","2020-10-21","18:00:00",""
"4515469","22.7393","0.0008","5.2121","0.0001","14.2943","0.0004","90","","93.045","0.003","90","","1691.76","0.08","93","2","93","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C17 H14 Br N O4 -","- C17 H14 Br N O4 -","- C68 H56 Br4 N4 O16 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0393","0.0375","","","0.0952","0.0969","","","","","","1.04","","","","has coordinates","225624","2020-10-21","18:00:00",""
"4515470","10.8042","0.0002","8.4963","0.0001","15.825","0.0003","90","","103.232","0.002","90","","1414.1","0.04","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0301","0.0294","","","0.0723","0.0728","","","","","","1.107","","","","has coordinates,has disorder","225625","2020-10-21","18:00:00",""
"4515471","9.806","0.0008","14.9855","0.0012","21.2136","0.0018","89.141","0.002","86.664","0.002","88.303","0.002","3110.4","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","0.7749","Synchrotron","","0.084","0.0568","","","0.1279","0.1411","","","","","","1.053","","","","has coordinates","225626","2020-10-21","18:00:00",""
"4515472","26.466","0.002","17.7566","0.0012","22.8328","0.0016","90","","124.789","0.001","90","","8812.3","1.1","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N7 O7 -","- C36 H57 N7 O7 -","- C288 H456 N56 O56 -","8","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0492","0.0435","","","0.12","0.1245","","","","","","1.038","","","","has coordinates,has disorder","225627","2020-10-21","18:00:00",""
"4515479","18.0106","0.0008","9.0679","0.0004","19.7109","0.0009","90","","96.859","0.002","90","","3196.1","0.2","101","2","101.05","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 B F18 N6 Rh -","- C29 H20 B F18 N6 Rh -","- C116 H80 B4 F72 N24 Rh4 -","4","1","","Avullala, Thirupataiah; Asgari, Parham; Hua, Yuanda; Bokka, Apparao; Ridlen, Shawn G.; Yum, Kyungsuk; Dias, H. V. Rasika; Jeon, Junha","Umpolung <i>α</i>-Silylation of Cyclopropyl Acetates via Low-Temperature Catalytic C-C Activation.","ACS catalysis","2019","9","1","402","408","10.1021/acscatal.8b04252","","","0.71073","MoKα","","0.0272","0.0237","","","0.0564","0.0579","","","","","","1.064","","","","has coordinates","225634","2020-10-21","18:00:00",""
"4515829","9.2036","0.0002","22.0461","0.0005","11.8589","0.0003","90","","90.067","0.001","90","","2406.21","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N4 O3 -","- C28 H28 N4 O3 -","- C112 H112 N16 O12 -","4","2","","Lewin, Anita H.; Brieaddy, Larry; Deschamps, Jeffrey R.; Imler, Gregory H.; Mascarella, S. Wayne; Reddy, P. Anantha; Carroll, F. Ivy","Synthesis and Characterization of the Selective, Reversible PKC<sub>β</sub> Inhibitor (9 S)-9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9 H,18 H-5,21:12,17-dimethenodibenzo[ e,k]pyrrolo[3,4- h][1,4,13]oxadiazacyclohexadecine-18,20(19 H)-dione, Ruboxistaurin (LY333531).","ACS chemical neuroscience","2019","10","1","246","251","10.1021/acschemneuro.8b00196","","","1.54178","CuKα","","0.1017","0.0917","","","0.2143","0.2226","","","","","","1.082","","","","has coordinates","225929","2020-10-21","18:00:00",""
"4515842","14.7787","0.0006","5.9377","0.0002","16.8849","0.0007","90","","107.428","0.002","90","","1413.66","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Nongthombam, Geetmani Singh; Borah, Kasmika; Muinao, Thingreila; Silla, Yumnam; Pal, Mintu; Deka Boruah, Hari Prasanna; Boruah, Romesh Chandra","Synthesis of D-Ring Annulated Pyridosteroids from β-Formyl Enamides and Their Biological Evaluations.","ACS combinatorial science","2019","21","1","11","27","10.1021/acscombsci.8b00140","","","0.71073","MoKα","","0.08","0.0552","","","0.1371","0.1547","","","","","","1.0335","","","","has coordinates","225942","2020-10-21","18:00:00",""
"4516211","39.8886","0.0007","24.9746","0.0003","57.2531","0.0012","90","","107.529","0.002","90","","54387.2","1.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 K3 Mo8 O399 P12 Ta18 W90 -","- C6 H9 K3 Mo8 O399 P12 Ta18 W90 -","- C24 H36 K12 Mo32 O1596 P48 Ta72 W360 -","4","1","","Li, Shujun; Li, Gang; Ji, Panpan; Zhang, Jiangwei; Liu, Shuxia; Zhang, Jie; Chen, Xuenian","A Giant Mo/Ta/W Ternary Mixed-Addenda Polyoxometalate with Efficient Photocatalytic Activity for Primary Amines Coupling.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16694","","","0.6229","SynchrotronradiationX-ray","","0.1318","0.1036","","","0.1997","0.2525","","","","","","1.1","","","","has coordinates","227447","2020-10-21","18:00:00",""
"4516212","10.6622","0.0003","18.8079","0.0005","12.1539","0.0004","90","","94.352","0.001","90","","2430.24","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MoTp(NO)(DMAP)(η2-Cyclohexene)","","","- C22 H30 B Mo N9 O -","- C22 H30 B Mo N9 O -","- C88 H120 B4 Mo4 N36 O4 -","4","1","","Dakermanji, Steven J.; Smith, Jacob A.; Westendorff, Karl S.; Pert, Emmit K.; Chung, Andrew D.; Myers, Jeffery T.; Welch, Kevin D.; Dickie, Diane A.; Harman, W. Dean","Electron-Transfer Chain Catalysis of η2-Arene, η2-Alkene, and η2-Ketone Exchange on Molybdenum","ACS Catalysis","2019","","","11274","","10.1021/acscatal.9b04191","","","0.71073","MoKα","","0.0321","0.0241","","","0.057","0.0602","","","","","","1.021","","","","has coordinates","227448","2020-10-21","18:00:00",""
"4516213","19.802","0.009","22.502","0.01","22.792","0.011","90","","98.198","0.014","90","","10052","8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H81 Ag16.33 Cl F21 N4 O14 S8 -","- C54 H81 Ag16.3333 Cl F21 N4 O14 S8 -","- C216 H324 Ag65.3332 Cl4 F84 N16 O56 S32 -","4","1","","Dar, Wakeel Ahmed; Bodiuzzaman, Mohammad; Ghosh, Debasmita; Paramasivam, Ganesan; Khatun, Esma; Sugi, Korath Shivan; Pradeep, Thalappil","Interparticle Reactions between Silver Nanoclusters leading to Product Co-Crystals by Selective Co-Crystallization.","ACS nano","2019","","","","","10.1021/acsnano.9b06740","","","0.71073","MoKα","","0.1811","0.0812","","","0.2079","0.3073","","","","","","1.05","","","","has coordinates,has disorder","227451","2020-10-21","18:00:00",""
"4516214","7.4139","0.0008","12.1658","0.0012","17.3075","0.0018","89.281","0.003","88.144","0.003","71.583","0.003","1480.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Fe2 N2 O4 Pd2 -","- C30 H38 Fe2 N2 O4 Pd2 -","- C60 H76 Fe4 N4 O8 Pd4 -","2","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.065","0.0467","","","0.0847","0.0902","","","","","","1.132","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516215","15.4063","0.0007","23.1323","0.0011","21.3599","0.001","90","","90","","90","","7612.3","0.6","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C37 H47 Fe2 N4 O6 Pd2 -","- C37 H47 Fe2 N4 O6 Pd2 -","- C296 H376 Fe16 N32 O48 Pd16 -","8","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.71073","MoKα","","0.0541","0.036","","","0.079","0.0869","","","","","","1.05","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516216","9.6729","0.001","10.7575","0.0011","16.1377","0.0016","90","","90","","90","","1679.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Fe N2 O -","- C18 H24 Fe N2 O -","- C72 H96 Fe4 N8 O4 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0276","0.0239","","","0.0549","0.0562","","","","","","1.046","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516217","20.0614","0.0017","9.2769","0.0008","13.7686","0.0012","90","","90","","90","","2562.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H60 N4 O6 Pd2 -","- C46 H60 N4 O6 Pd2 -","- C92 H120 N8 O12 Pd4 -","2","0.5","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0245","0.0211","","","0.0465","0.0474","","","","","","1.044","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516218","9.4493","0.0005","19.4338","0.0012","25.5923","0.0015","90","","90","","90","","4699.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H60 N4 O6 Pd2 -","- C46 H60 N4 O6 Pd2 -","- C184 H240 N16 O24 Pd8 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.41328","synchrotron","","0.0318","0.0283","","","0.0653","0.0664","","","","","","1.119","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516219","9.6636","0.0004","18.8875","0.0007","16.9545","0.0006","90","","94.675","0.001","90","","3084.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N2 O4 Pd2 -","- C34 H38 N2 O4 Pd2 -","- C136 H152 N8 O16 Pd8 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.0329","0.0263","","","0.0635","0.0657","","","","","","1.057","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516220","12.4112","0.0008","25.3634","0.0016","5.907","0.0003","90","","90","","90","","1859.47","0.19","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N2 O2 Pd -","- C20 H26 N2 O2 Pd -","- C80 H104 N8 O8 Pd4 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.0253","0.0224","","","0.0469","0.0475","","","","","","1.074","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516221","19.9077","0.0006","12.8327","0.0004","22.0152","0.0007","90","","90","","90","","5624.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 N2 O4 Pd -","- C32 H32 N2 O4 Pd -","- C256 H256 N16 O32 Pd8 -","8","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.034","0.0321","","","0.0867","0.0881","","","","","","1.123","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516222","9.319","0.0011","10.4167","0.0012","13.8973","0.0016","98.151","0.002","97.964","0.003","108.691","0.003","1240.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 Fe N2 O5 Pd -","- C25 H33 Fe N2 O5 Pd -","- C50 H66 Fe2 N4 O10 Pd2 -","2","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.71073","MoKα","","0.0803","0.0429","","","0.0882","0.1005","","","","","","0.982","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516223","6.0598","0.0004","6.0598","0.0004","60.491","0.004","90","","90","","90","","2221.3","0.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 N2 O5 Pd -","- C22 H30 N2 O5 Pd -","- C88 H120 N8 O20 Pd4 -","4","0.5","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0517","0.0455","","","0.0984","0.1005","","","","","","1.056","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516224","7.5459","0.0008","15.0295","0.0013","6.8209","0.0006","90","","107.247","0.004","90","","738.78","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N18 O4 Zn -","- C4 H12 N18 O4 Zn -","- C8 H24 N36 O8 Zn2 -","2","0.5","","Wu, Bo; Lai, Yuan; Qi, Xiufang; Du, Huiying; Pei, Chonghua","Facile Synthesis and Accelerated Combustion Effect of Micro-/Nanostructured Amorphous and Crystalline Metal Coordination Compounds Based on N,N-Bis[1H-tetrazol-5-yl]amine","ACS Applied Energy Materials","2019","","","","","10.1021/acsaem.9b01743","","","0.71073","MoKα","","0.0729","0.0464","","","0.1052","0.1154","","","","","","1.049","","","","has coordinates","227801","2020-10-21","18:00:00",""
"4516225","6.3211","0.0004","12.4338","0.0008","18.4599","0.001","90","","90","","90","","1450.86","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H11 N18 Na O3 -","- C4 H11 N18 Na O3 -","- C16 H44 N72 Na4 O12 -","4","1","","Wu, Bo; Lai, Yuan; Qi, Xiufang; Du, Huiying; Pei, Chonghua","Facile Synthesis and Accelerated Combustion Effect of Micro-/Nanostructured Amorphous and Crystalline Metal Coordination Compounds Based on N,N-Bis[1H-tetrazol-5-yl]amine","ACS Applied Energy Materials","2019","","","","","10.1021/acsaem.9b01743","","","0.71073","MoKα","","0.0822","0.0464","","","0.0833","0.0949","","","","","","1.048","","","","has coordinates","227802","2020-10-21","18:00:00",""
"4516226","14.3719","0.0006","6.4267","0.0003","25.3093","0.0011","90","","90","","90","","2337.67","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro","Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate","ACS Catalysis","2019","","","11455","","10.1021/acscatal.9b04254","","x-ray","1.54184","CuKα","","0.0499","0.045","","","0.1154","0.1206","","","","","","1.057","","","","has coordinates","227805","2020-10-21","18:00:00",""
"4516227","13.0701","0.0003","12.556","0.0003","10.8819","0.0003","90","","104.883","0.002","90","","1725.9","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl3 N2 -","- C20 H13 Cl3 N2 -","- C80 H52 Cl12 N8 -","4","1","","Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro","Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate","ACS Catalysis","2019","","","11455","","10.1021/acscatal.9b04254","","x-ray","1.54184","CuKα","","0.0412","0.039","","","0.1069","0.1093","","","","","","1.064","","","","has coordinates","227806","2020-10-21","18:00:00",""
"4516228","8.8085","0.001","10.3259","0.0012","22.243","0.003","90","","90","","90","","2023.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 S2 -","- C18 H20 N2 O5 S2 -","- C72 H80 N8 O20 S8 -","4","1","","Zou, Jiaoxia; Chen, Jinhong; Shi, Tao; Hou, Yongsheng; Cao, Fei; Wang, Yongqiang; Wang, Xiaodong; Jia, Zhong; Zhao, Quanyi; Wang, Zhen","Phthalimide-Carried Disulfur Transfer To Synthesize Unsymmetrical Disulfanes via Copper Catalysis","ACS Catalysis","2019","","","11426","","10.1021/acscatal.9b04326","","","0.71073","MoKα","","0.0541","0.0445","","","0.1219","0.1299","","","","","","1.001","","","","has coordinates","227807","2020-10-21","18:00:00",""
"4516229","9.11","0.05","20.33","0.05","10.32","0.05","90","","97.43","0.05","90","","1895","15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl5 N6 Sb -","- C10 H16 Cl5 N6 Sb -","- C40 H64 Cl20 N24 Sb4 -","4","1","","Fredj, Donia; Alkarsifi, Riva; Pourcin, Florent; Liu, Xianjie; Boudjada, Nassira Chniba; Pierron, Pascal; Nourdine, Ali; Boujelbene, Mohamed; Fahlman, Mats; Videlot-Ackermann, Christine; Flandin, Lionel; Ben Dkhil, Sadok; Margeat, Olivier; Ackermann, Jörg","New Antimony-Based Organic-Inorganic Hybrid Material as Electron Extraction Layer for Efficient and Stable Polymer Solar Cells.","ACS applied materials & interfaces","2019","11","47","44820","44828","10.1021/acsami.9b12409","","","0.71073","MoKα","","0.0498","0.0382","","","0.1232","0.1381","","","","","","0.709","","","","has coordinates","246529","2020-10-21","18:00:00",""
"4516230","11.2976","0.0007","14.1599","0.0008","15.1689","0.001","90","","107.882","0.007","90","","2309.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu4 I4 N4 S8 -","- C36 H36 Cu4 I4 N4 S8 -","- C72 H72 Cu8 I8 N8 S16 -","2","0.5","","Liu, Guang-Ning; Xu, Rang-Dong; Zhao, Ruo-Yu; Sun, Yiqiang; Bo, Qi-Bing; Duan, Zhong-Yao; Li, Yue-Hua; Wang, Yang-Yang; Wu, Qian; Li, Cuncheng","Hybrid Copper Iodide Cluster-Based Pellet Sensor for Highly Selective Optical Detection of o-Nitrophenol and Tetracycline Hydrochloride in Aqueous Solution","ACS Sustainable Chemistry & Engineering","2019","7","23","18863","","10.1021/acssuschemeng.9b03963","","x-ray","0.71073","MoKα","","0.0357","0.026","","","0.0542","0.0587","","","","","","1.065","","","","has coordinates","246541","2020-10-21","18:00:00",""
"4516231","6.1055","0.0002","7.4185","0.0003","22.4266","0.0008","90","","90","","90","","1015.78","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.0338","0.0334","","0.0865","0.0862","0.0865","","","","","","1.0352","","","","has coordinates","231051","2020-10-21","18:00:00",""
"4516232","6.1306","0.0003","7.3825","0.0003","25.8514","0.0012","90","","90","","90","","1170.01","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.0277","0.0267","","0.0703","0.0696","0.0703","","","","","","1.0014","","","","has coordinates","231052","2020-10-21","18:00:00",""
"4516233","6.1359","0.0001","7.2261","0.0001","23.2488","0.0004","90","","90","","90","","1030.82","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.021","0.021","","0.0569","0.0569","0.0569","","","","","","1.2133","","","","has coordinates","231053","2020-10-21","18:00:00",""
"4516234","6.7404","0.0017","10.373","0.003","13.488","0.004","90","","90.437","0.007","90","","943","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki","High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols","ACS Catalysis","2019","","","11619","","10.1021/acscatal.9b04322","","","0.71075","MoKα","","0.0807","0.0741","","","0.21","0.2201","","","","","","1.07","","","","has coordinates","231087","2020-10-21","18:00:00",""
"4516235","9.8131","0.0013","16.46","0.002","19.469","0.003","90","","90","","90","","3144.7","0.7","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O7 -","- C38 H42 O7 -","- C152 H168 O28 -","4","1","","Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki","High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols","ACS Catalysis","2019","","","11619","","10.1021/acscatal.9b04322","","","0.71075","MoKα","","0.0503","0.0414","","","0.1026","0.107","","","","","","1.033","","","","has coordinates","231088","2020-10-21","18:00:00",""
"4516236","11.92","0.003","27.276","0.005","16.301","0.003","90","","90.153","0.006","90","","5299.9","1.9","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Cl2 N6 O2 S -","- C60 H62 Cl2 N6 O2 S -","- C240 H248 Cl8 N24 O8 S4 -","4","0.5","","Dos Santos, Paloma Lays; Chen, Dongyang; Rajamalli, Pachaiyappan; Matulaitis, Tomas; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli; Samuel, Ifor D. W.","The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16952","","","0.71075","MoKα","","0.1422","0.1395","","","0.3642","0.3652","","","","","","1.216","","","","has coordinates,has disorder","231126","2020-10-21","18:00:00",""
"4516237","10.7041","0.0002","36.1378","0.0007","11.916","0.0002","90","","90","","90","","4609.38","0.15","125","","125","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C57 H62 N4 O2 S -","- C57 H62 N4 O2 S -","- C228 H248 N16 O8 S4 -","4","0.5","","Dos Santos, Paloma Lays; Chen, Dongyang; Rajamalli, Pachaiyappan; Matulaitis, Tomas; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli; Samuel, Ifor D. W.","The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16952","","","1.54184","CuKα","","0.0882","0.0615","","","0.1584","0.1752","","","","","","1.079","","","","has coordinates,has disorder","231127","2020-10-21","18:00:00",""
"4516238","10.665","0.0003","36.1744","0.0011","12.0287","0.0004","90","","90","","90","","4640.7","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C54 H57 Cl N6 O2 S -","- C54 H57 Cl N6 O2 S -","- C216 H228 Cl4 N24 O8 S4 -","4","0.5","","Dos Santos, Paloma Lays; Chen, Dongyang; Rajamalli, Pachaiyappan; Matulaitis, Tomas; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli; Samuel, Ifor D. W.","The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16952","","","0.71073","MoKα","","0.1304","0.0857","","","0.2477","0.2822","","","","","","1.039","","","","has coordinates,has disorder","231128","2020-10-21","18:00:00",""
"4516239","34.081","0.003","10.527","0.0008","22.0782","0.0018","90","","114.326","0.002","90","","7217.8","1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3a in manuscript","","","- C33.5 H31.5 Cl4.5 N2 O5 S2 -","- C33.5 H31.5 Cl4.5 N2 O5 S2 -","- C268 H252 Cl36 N16 O40 S16 -","8","1","","Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides","ACS Catalysis","2019","","","11663","","10.1021/acscatal.9b03911","","","0.71073","MoKα","","0.1184","0.068","","","0.1533","0.1904","","","","","","1.033","","","","has coordinates,has disorder","231129","2020-10-21","18:00:00",""
"4516240","10.1824","0.0019","12.255","0.002","25.931","0.005","90","","90","","90","","3235.8","1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6b in manuscript","","","- C36 H36 N2 O5 S2 -","- C36 H36 N2 O5 S2 -","- C144 H144 N8 O20 S8 -","4","1","","Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides","ACS Catalysis","2019","","","11663","","10.1021/acscatal.9b03911","","","0.71073","MoKα","","0.0873","0.0541","","","0.1061","0.1193","","","","","","1.067","","","","has coordinates","231130","2020-10-21","18:00:00",""
"4516241","12.342","0.003","19.352","0.005","13.4","0.003","90","","99.229","0.003","90","","3159.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 O2 P -","- C32 H47 O2 P -","- C128 H188 O8 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1287","0.0539","","","0.1321","0.156","","","","","","0.64","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516242","30.671","0.004","10.2786","0.0015","33.812","0.005","90","","90","","90","","10659","3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H45 P -","- C30 H45 P -","- C480 H720 P16 -","16","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1106","0.0539","","","0.1065","0.1337","","","","","","0.956","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516243","19.35","0.003","19.35","0.003","38.469","0.014","90","","90","","120","","12474","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H47 O0.33 P -","- C31 H47 O0.166667 P -","- C558 H846 O3 P18 -","18","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1755","0.0613","","","0.1472","0.2476","","","","","","0.973","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516244","8.6727","0.0018","14.184","0.003","23.006","0.005","90","","92.223","0.003","90","","2827.9","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","L_8","","","- C32 H49 P -","- C32 H49 P -","- C128 H196 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.128","0.0568","","","0.1311","0.168","","","","","","0.889","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516245","9.9251","0.0008","11.2824","0.0009","28.061","0.002","90","","96.421","0.001","90","","3122.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 O4 P -","- C34 H51 O4 P -","- C136 H204 O16 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0639","0.0466","","","0.1056","0.115","","","","","","1.027","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516246","8.568","0.001","9.1013","0.0011","23.827","0.003","80.649","0.001","86.357","0.001","63.923","0.001","1646.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","L_5f","","","- C36 H53 O3 P -","- C36 H53 O3 P -","- C72 H106 O6 P2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0829","0.0495","","","0.1316","0.1574","","","","","","0.878","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516247","28.119","0.007","13.086","0.003","9.328","0.002","90","","90","","90","","3432.4","1.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H57 O3 P -","- C39 H57 O3 P -","- C156 H228 O12 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0317","0.0295","","","0.0771","0.0783","","","","","","1.037","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516248","11.6617","0.0018","12.3698","0.0019","14.951","0.002","100.424","0.002","92.731","0.002","115.736","0.002","1891.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","L_5k","","","- C40.5 H60 Cl O4 P -","- C40.5 H60 Cl O4 P -","- C81 H120 Cl2 O8 P2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.083","0.0495","","","0.1307","0.1561","","","","","","0.9","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516249","18.317","0.003","13.782","0.002","22.811","0.004","90","","90","","90","","5758.5","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tBuBrettPhos","","","- C31 H49 O2 P -","- C31 H49 O2 P -","- C248 H392 O16 P8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0408","0.0328","","","0.1142","0.1255","","","","","","0.992","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516250","12.838","0.004","16.357","0.005","19.029","0.005","97.751","0.004","102.559","0.004","102.096","0.004","3744.9","1.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","AdBrettPhos","","","- C43 H61.12 O2.06 P -","- C43 H61 O2.06 P -","- C172 H244 O8.24 P4 -","4","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.159","0.0655","","","0.1506","0.1959","","","","","","0.909","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516251","11.542","0.002","11.548","0.002","17.998","0.003","81.507","0.002","77.635","0.002","72.621","0.002","2227.2","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Ox_5c","","","- C42.5 H58 Br Cl3 N O4 P Pd -","- C42.5 H58 Br Cl3 N O4 P Pd -","- C85 H116 Br2 Cl6 N2 O8 P2 Pd2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0754","0.0475","","","0.1336","0.1497","","","","","","0.99","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516252","17.7459","0.0008","19.0935","0.0008","53.801","0.003","90","","90","","90","","18229.5","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Ox_5f","","","- C53.5 H69 Br N O3 P Pd -","- C43 H57 Br N O3 P Pd -","- C688 H912 Br16 N16 O48 P16 Pd16 -","16","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.1074","0.0777","","","0.1899","0.1979","","","","","","1.058","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516253","27.66","0.013","21.676","0.01","19.545","0.009","90","","123.911","0.005","90","","9725","8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Ox_5j","","","- C49.5 H69 Br Cl2 N O3 P Pd -","- C49.5 H69 Br Cl2 N O3 P Pd -","- C396 H552 Br8 Cl16 N8 O24 P8 Pd8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0612","0.0384","","","0.0856","0.095","","","","","","1.006","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516254","13.126","0.009","11.472","0.008","28.93","0.02","90","","91.981","0.01","90","","4354","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ox_5k","","","- C47 H63 Br N O4 P Pd -","- C47 H63 Br N O4 P Pd -","- C188 H252 Br4 N4 O16 P4 Pd4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.113","0.0553","","","0.103","0.1209","","","","","","1.024","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516255","12.4741","0.0004","16.7555","0.0006","14.1454","0.0005","90","","115.68","0.002","90","","2664.51","0.17","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","Cpx_5c","","","- C53 H77 F3 N O7 P Pd S -","- C53 H77 F3 N O7 P Pd S -","- C106 H154 F6 N2 O14 P2 Pd2 S2 -","2","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0501","0.0484","","","0.1353","0.1376","","","","","","1.109","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516256","28.3488","0.0004","18.5998","0.0003","19.6316","0.0003","90","","112.701","0.001","90","","9549.5","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cpx_5f","","","- C48 H71 F3 N O6 P Pd S -","- C48 H71 F3 N O6 P Pd S -","- C384 H568 F24 N8 O48 P8 Pd8 S8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0416","0.0364","","","0.1267","0.1339","","","","","","1.155","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516257","15.0843","0.0004","17.9837","0.0005","19.7605","0.0005","90","","108.121","0.001","90","","5094.6","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Cpx_5j","","","- C51 H75 F3 N O6 P Pd S -","- C51 H75 F3 N O6 P Pd S -","- C204 H300 F12 N4 O24 P4 Pd4 S4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.0733","0.0503","","","0.1275","0.142","","","","","","0.997","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516258","6.1623","0.0007","7.8828","0.0008","20.9413","0.0017","85.746","0.007","88.386","0.008","77.055","0.009","988.59","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O -","- C25 H24 O -","- C50 H48 O2 -","2","1","","Wang, Quannan; Chen, Rongjun; Lou, Jiang; Zhang, Dong H.; Zhou, Yong-Gui; Yu, Zhengkun","Highly Regioselective C‒H Alkylation of Alkenes Through an Aryl to Vinyl 1,4-Palladium Migration/C‒C Cleavage Cascade","ACS Catalysis","2019","","","11669","","10.1021/acscatal.9b04161","","","0.71073","MoKα","","0.0904","0.0499","","","0.1163","0.146","","","","","","1.038","","","","has coordinates","231133","2020-10-21","18:00:00",""
"4516584","38.058","0.012","10.009","0.004","7.2953","0.002","90","","90","","90","","2778.9","1.6","298","","298","","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C32 H16 N4 O8 Zr -","- C32 H16 N4 O8 Zr -","- C128 H64 N16 O32 Zr4 -","4","0.25","","Feng, Xuenan; Wang, Xiqian; Wang, Hailong; Wu, Hui; Liu, Zhanning; Zhou, Wei; Lin, Qipu; Jiang, Jianzhuang","Elucidating J-Aggregation Effect in Boosting Singlet Oxygen Evolution Using Zirconium-Porphyrin Frameworks: A Comprehensive Structural, Catalytic, and Spectroscopic Study.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17569","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.39113","","10.58","","","","","","","has coordinates","231636","2020-10-21","18:00:00",""
"4516585","24.481","0.002","9.2829","0.0007","32.174","0.003","90","","103.789","0.003","90","","7101","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","19019","","","- C28.5 H39 Br4 Cl N6 Ti2 -","- C28.5 H39 Br4 Cl N6 Ti2 -","- C228 H312 Br32 Cl8 N48 Ti16 -","8","1","","Beaumier, Evan P.; McGreal, Meghan E.; Pancoast, Adam R.; Wilson, R. Hunter; Moore, James T.; Graziano, Brendan J.; Goodpaster, Jason D.; Tonks, Ian A.","Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides","ACS Catalysis","2019","","","11753","","10.1021/acscatal.9b04107","","","0.71073","MoKα","","0.0612","0.0454","","","0.0828","0.0875","","","","","","1.032","","","","has coordinates,has disorder","231657","2020-10-21","18:00:00",""
"4516593","11.1255","0.0009","20.0207","0.0016","12.9989","0.001","90","","111.552","0.002","90","","2692.9","0.4","200","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 I2 N5 -","- C26 H26 I2 N5 -","- C104 H104 I8 N20 -","4","1","","Lv, Xiaoqing; Xia, Danyu; Zuo, Ying; Wu, Xiaoqin; Wei, Xuehong; Wang, Pi","Gemini-Type Supramolecular Amphiphile Based on a Water-Soluble Pillar[5]arene and an Azastilbene Guest and Its Application in Stimuli-Responsive Self-Assemblies.","Langmuir : the ACS journal of surfaces and colloids","2019","35","25","8383","8388","10.1021/acs.langmuir.9b01188","","","0.71073","MoKα","","0.0276","0.0246","","","0.0618","0.0632","","","","","","1.05","","","","has coordinates","236684","2020-10-21","18:00:00",""
"4516594","4.96243","0.00019","7.6511","0.0003","12.2057","0.0005","102.765","0.003","92.376","0.002","106.291","0.003","431.17","0.03","212","","212","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","- C18 H16 N2 O4 S2 -","1","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.0736","0.0654","","","0.151","0.1566","","","","","","0.964","","","","has coordinates","239395","2020-10-21","18:00:00",""
"4516595","33.028","0.003","5.02936","0.00018","14.9494","0.0005","90","","111.402","0.003","90","","2312","0.2","171","","171","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.0622","0.0562","","","0.1505","0.156","","","","","","1.089","","","","has coordinates","239395","2020-10-21","18:00:00",""
"4516596","31.6727","0.0007","6.81282","0.00016","15.1228","0.0004","90","","92.1448","0.0014","90","","3260.92","0.14","104","","104","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N6 O2 S2 -","- C34 H36 N6 O2 S2 -","- C136 H144 N24 O8 S8 -","4","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.1072","0.09","","","0.2693","0.3079","","","","","","1.198","","","","has coordinates","239395","2020-10-21","18:00:00",""
"4516597","9.2227","0.0003","5.1146","0.0002","29.4199","0.0012","90","","99.1713","0.0018","90","","1370.01","0.09","171","","171","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N6 O2 S2 -","- C30 H28 N6 O2 S2 -","- C60 H56 N12 O4 S4 -","2","0.5","","Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko","n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives","ACS Applied Electronic Materials","2019","1","5","764","","10.1021/acsaelm.9b00105","","","1.54187","CuKα","","0.2606","0.0947","","","0.1501","0.2128","","","","","","0.892","","","","has coordinates","239395","2020-10-21","18:00:00",""
"4516598","5.8402","0.0003","7.4994","0.0005","25.7131","0.0013","90","","90.815","0.002","90","","1126.07","0.11","270","","270","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 Pd -","- C12 H12 N4 Pd -","- C48 H48 N16 Pd4 -","4","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.0969","0.0777","","","0.1873","0.2164","","","","","","1.079","","","","has coordinates","239397","2020-10-21","18:00:00",""
"4516599","6.0153","0.0003","7.3861","0.0005","12.9529","0.0007","90","","92.641","0.003","90","","574.88","0.06","274","","274","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 F2 N4 Ni -","- C12 H10 F2 N4 Ni -","- C24 H20 F4 N8 Ni2 -","2","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.1156","0.0742","","","0.1153","0.1371","","","","","","0.982","","","","has coordinates,has disorder","239397","2020-10-21","18:00:00",""
"4516600","6.41864","0.00014","7.70588","0.00017","12.5919","0.0003","105.965","0.0012","93.574","0.0013","98.3156","0.0012","589.07","0.02","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 N4 Ni -","- C12 H8 F4 N4 Ni -","- C24 H16 F8 N8 Ni2 -","2","1","","Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko","Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines","ACS Applied Electronic Materials","2019","1","8","1633","","10.1021/acsaelm.9b00344","","","1.54187","CuKα","","0.079","0.0506","","","0.1158","0.1553","","","","","","1.164","","","","has coordinates","239397","2020-10-21","18:00:00",""
"4516653","23.201","0.003","23.201","0.003","21.302","0.004","90","","90","","120","","9930","3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 N4 -","- C78 H84 N4 -","- C468 H504 N24 -","6","0.333333","","Song, Xiaozeng; Zhang, Dongdong; Li, Haoyuan; Cai, Minghan; Huang, Tianyu; Duan, Lian","Exciplex System with Increased Donor-Acceptor Distance as the Sensitizing Host for Conventional Fluorescent OLEDs with High Efficiency and Extremely Low Roll-Off.","ACS applied materials & interfaces","2019","11","25","22595","22602","10.1021/acsami.9b05963","","","0.71073","MoKα","","0.1144","0.1075","","","0.2998","0.3111","","","","","","1.242","","","","has coordinates,has disorder","239430","2020-10-21","18:00:00",""
"4516655","41.2089","0.0017","41.2089","0.0017","12.2663","0.0007","90","","90","","120","","18039.6","1.5","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C71.6 H32 Br4 O30 Th6 -","- C71.6 H32 Br4 O38 Th6 -","- C214.8 H96 Br12 O114 Th18 -","3","0.125","","Li, Peng; Wang, Xingjie; Otake, Ken-ichi; Lyu, Jiafei; Hanna, Sylvia L.; Islamoglu, Timur; Farha, Omar K.","Synthetic Control of Thorium Polyoxo-Clusters in Metal‒Organic Frameworks toward New Thorium-Based Materials","ACS Applied Nano Materials","2019","2","4","2260","","10.1021/acsanm.9b00188","","","1.54178","CuKα","","0.0396","0.0294","","","0.0674","0.0698","","","","","","1.061","","","","has coordinates","239432","2020-10-21","18:00:00",""
"4516656","27.0704","0.0008","27.0704","0.0008","33.5896","0.0012","90","","90","","120","","21316.9","1.2","200","2","200","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C71 H38 Br4 N O28.5 Th4 -","- C71 H38 Br4 N O28.5066 Th4 -","- C426 H228 Br24 N6 O171.04 Th24 -","6","0.25","","Li, Peng; Wang, Xingjie; Otake, Ken-ichi; Lyu, Jiafei; Hanna, Sylvia L.; Islamoglu, Timur; Farha, Omar K.","Synthetic Control of Thorium Polyoxo-Clusters in Metal‒Organic Frameworks toward New Thorium-Based Materials","ACS Applied Nano Materials","2019","2","4","2260","","10.1021/acsanm.9b00188","","","1.54178","CuKα","","0.0614","0.0488","","","0.1543","0.1654","","","","","","1.175","","","","has coordinates,has disorder","239433","2020-10-21","18:00:00",""
"4516657","20.7051","0.0006","24.9288","0.0008","63.4039","0.0016","90","","90","","90","","32726.1","1.6","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C91 H46 N2 O38 Zr6 -","- C91 H46 N2 O38 Zr6 -","- C728 H368 N16 O304 Zr48 -","8","1","","Chen, Yongwei; Zhang, Xuan; Ma, Kaikai; Chen, Zhijie; Wang, Xingjie; Knapp, Julia; Alayoglu, Selim; Wang, Fenfen; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Farha, Omar K.","Zirconium-Based Metal‒Organic Framework with 9-Connected Nodes for Ammonia Capture","ACS Applied Nano Materials","2019","2","10","6098","","10.1021/acsanm.9b01534","","x-ray","1.54178","CuKα","","0.0303","0.0294","","","0.0735","0.0739","","","","","","1.05","","","","has coordinates,has disorder","239434","2020-10-21","18:00:00",""
"4516742","15.598","0.007","15.598","0.007","59.01","0.02","90","","90","","120","","12434","9","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H60 Cu3 N8 O15 -","- C78 H60 Cu3 N8 O15 -","- C468 H360 Cu18 N48 O90 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0589","0.0498","","","0.1354","0.1413","","","","","","1.051","","","","has coordinates","239501","2020-10-21","18:00:00",""
"4516743","15.7439","0.001","15.7439","0.001","61.146","0.004","90","","90","","120","","13125.7","1.5","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H66 Co3 N8 O18 -","- C78 H66 Co3 N8 O18 -","- C468 H396 Co18 N48 O108 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0478","0.0407","","","0.1224","0.1299","","","","","","1.059","","","","has coordinates","239502","2020-10-21","18:00:00",""
"4516744","15.7128","0.001","15.7128","0.001","60.539","0.004","90","","90","","120","","12944.1","1.4","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","1","0.0555556","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.06","0.0476","","","0.1422","0.1511","","","","","","1.06","","","","has coordinates","239503","2020-10-21","18:00:00",""
"4516825","11.686","0.007","12.036","0.007","22.607","0.013","90","","90","","90","","3180","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Macrocycle 4","","","- C35 H34 N8 O3 -","- C35 H34 N8 O3 -","- C140 H136 N32 O12 -","4","1","","Chen, Huaiyu; Huang, Chao; Deng, Yaxin; Sun, Qi; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Solvent-Switched Schiff-Base Macrocycles: Self-Sorting and Self-Assembly-Dependent Unconventional Organic Particles.","ACS nano","2019","13","3","2840","2848","10.1021/acsnano.8b09478","","","0.71073","MoKα","","0.1231","0.0655","","","0.1715","0.204","","","","","","0.771","","","","has coordinates","239569","2020-10-21","18:00:00",""
"4516826","15.3656","0.0001","33.7803","0.0002","34.0423","0.0002","87.988","0.001","84.885","0.001","78.244","0.001","17227.7","0.19","150","0.1","150","0.1","","","","","","","","4","P 1","P 1","1","","","","- C168 H216 Au8 O16 -","- C168 H216 Au8 O16 -","- C672 H864 Au32 O64 -","4","4","","Jia, Tong-Tong; Yang, Guang; Mo, Sai-Jun; Wang, Zhao-Yang; Li, Bing-Jie; Ma, Wang; Guo, Yue-Xin; Chen, Xiaoyuan; Zhao, Xueli; Liu, Jun-Qi; Zang, Shuang-Quan","Atomically Precise Gold-Levonorgestrel Nanocluster as a Radiosensitizer for Enhanced Cancer Therapy.","ACS nano","2019","13","7","8320","8328","10.1021/acsnano.9b03767","","x-ray","0.71073","MoKα","","0.0599","0.0436","","","0.0928","0.0964","","","","","","1.128","","","","has coordinates","239570","2020-10-21","18:00:00",""
"4516957","14.698","0.006","19.777","0.008","15.179","0.006","90","","96.467","0.004","90","","4384","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H48 Cl2 N5 O14 -","- C41 H48 Cl2 N5 O14 -","- C164 H192 Cl8 N20 O56 -","4","1","","Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa","Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach.","ACS omega","2019","4","3","5270","5274","10.1021/acsomega.9b00053","","","0.71073","MoKα","","0.1428","0.0786","","","0.2088","0.2764","","","","","","1.05","","","","has coordinates,has disorder","239652","2020-10-21","18:00:00",""
"4516958","11.256","0.003","11.921","0.003","15.208","0.004","69.231","0.013","71.022","0.011","73.095","0.011","1768.4","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H43 N5 O4 -","- C41 H43 N5 O4 -","- C82 H86 N10 O8 -","2","1","","Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa","Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach.","ACS omega","2019","4","3","5270","5274","10.1021/acsomega.9b00053","","","0.71073","MoKα","","0.1571","0.1276","","","0.3169","0.3579","","","","","","1.148","","","","has coordinates,has disorder","239653","2020-10-21","18:00:00",""
"4516959","21.5201","0.0009","10.55","0.0005","19.5452","0.0008","90","","117.251","0.002","90","","3945","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Mn2 N2 O12 -","- C42 H38 Mn2 N2 O12 -","- C168 H152 Mn8 N8 O48 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0655","0.0416","","","0.1114","0.1242","","","","","","1.041","","","","has coordinates","239654","2020-10-21","18:00:00",""
"4516960","21.55","0.002","10.5223","0.0008","19.2508","0.0016","90","","116.538","0.009","90","","3905.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Co2 N2 O12 -","- C42 H38 Co2 N2 O12 -","- C168 H152 Co8 N8 O48 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.1624","0.1031","","","0.248","0.2843","","","","","","1.081","","","","has coordinates","239655","2020-10-21","18:00:00",""
"4516961","21.5019","0.0011","10.4986","0.0005","19.2899","0.0011","90","","116.769","0.004","90","","3887.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 N2 O12 Zn2 -","- C42 H38 N2 O12 Zn2 -","- C168 H152 N8 O48 Zn8 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0542","0.039","","","0.1014","0.1142","","","","","","1.032","","","","has coordinates","239656","2020-10-21","18:00:00",""
"4516962","14.7048","0.0011","5.6391","0.0004","21.9019","0.0016","90","","90","","90","","1816.1","0.2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","2","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0748","0.0574","","","0.1499","0.1683","","","","","","1.065","","","","has coordinates,has disorder","239657","2020-10-21","18:00:00",""
"4516963","9.8243","0.0008","10.0464","0.0008","17.8772","0.0017","79.023","0.008","85.859","0.008","63.135","0.005","1545","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cl2 N O Si2 V -","- C26 H42 Cl2 N O Si2 V -","- C52 H84 Cl4 N2 O2 Si4 V2 -","2","1","","Hayashibara, Hitomi; Ngamnithiporn, Aurapat; Nomura, Kotohiro","Reactions of (Arylimido)vanadium(V)-Trialkyl Complexes with Phenols: Effects of Arylimido Ligands and Phenols for Formation of the Vanadium Phenoxides.","ACS omega","2019","4","3","5818","5828","10.1021/acsomega.9b00531","","","0.71075","MoKα","","0.0385","0.0344","","","0.1098","0.1266","","","","","","1.224","","","","has coordinates","239658","2020-10-21","18:00:00",""
"4516964","20.565","0.003","7.6846","0.001","14.6916","0.0019","90","","130.5","0.002","90","","1765.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H N O Zn -","- C2.4 H1.6 N3.2 Zn0.4 -","- C48 H32 N64 Zn8 -","20","2.5","","Chi-Durán, Ignacio; Enríquez, Javier; Manquián, Carolina; Fritz, Rubén Alejandro; Vega, Andrés; Serafini, Daniel; Herrera, Felipe; Singh, Dinesh Pratap","Azide-Based High-Energy Metal-Organic Frameworks with Enhanced Thermal Stability.","ACS omega","2019","4","11","14398","14403","10.1021/acsomega.9b01127","","","0.71073","MoKα","","0.0484","0.0469","","","0.1138","0.1148","","","","","","1.101","","","","has coordinates","239659","2020-10-21","18:00:00",""
"4516965","10.2684","0.0002","24.0869","0.0006","11.3063","0.0003","90","","90.394","0.002","90","","2796.37","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl4 N5 O8 -","- C58 H63 Cl4 N5 O8 -","- C116 H126 Cl8 N10 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0408","0.0368","","","0.1072","0.1132","","","","","","0.837","","","","has coordinates","239660","2020-10-21","18:00:00",""
"4516966","10.719","0.0003","22.6325","0.0006","11.0891","0.0003","90","","91.415","0.002","90","","2689.37","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H69 N7 O8 -","- C58 H69 N7 O8 -","- C116 H138 N14 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.0986","0.1007","","","","","","1.066","","","","has coordinates","239661","2020-10-21","18:00:00",""
"4516967","11.002","0.003","13.517","0.004","13.733","0.004","90","","90.081","0.004","90","","2042.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 S2 -","- C19 H20 N4 O4 S2 -","- C76 H80 N16 O16 S8 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.0684","0.0585","","","0.1708","0.1816","","","","","","1.043","","","","has coordinates","239662","2020-10-21","18:00:00",""
"4516968","8.1221","0.0008","22.8639","0.0013","13.0456","0.0011","90","","106.673","0.009","90","","2320.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N5 O7 S -","- C20 H23 N5 O7 S -","- C80 H92 N20 O28 S4 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1294","0.0828","","","0.1258","0.141","","","","","","1.091","","","","has coordinates","239662","2020-10-21","18:00:00",""
"4516969","9.3634","0.0012","29.19","0.004","9.6803","0.0012","90","","102.118","0.002","90","","2586.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N6 O6 S -","- C25 H26 N6 O6 S -","- C100 H104 N24 O24 S4 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.0728","0.0523","","","0.1498","0.1664","","","","","","1.02","","","","has coordinates","239662","2020-10-21","18:00:00",""
"4516970","13.4476","0.0016","18.841","0.002","18.531","0.002","90","","99.115","0.004","90","","4635.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C168 H208 N32 O48 S8 -","8","2","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1004","0.0625","","","0.1599","0.1904","","","","","","1.03","","","","has coordinates","239662","2020-10-21","18:00:00",""
"4516971","19.5803","0.0008","14.339","0.0007","18.2135","0.0007","90","","90.225","0.003","90","","5113.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N8 O10 S2 -","- C50 H52 N8 O10 S2 -","- C200 H208 N32 O40 S8 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1102","0.0775","","","0.1482","0.1633","","","","","","1.177","","","","has coordinates","239662","2020-10-21","18:00:00",""
"4516972","11.88223","0.00007","15.04355","0.0001","15.39444","0.00008","90","","90.6397","0.0005","90","","2751.6","0.03","99.9","0.9","99.9","0.9","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Ir N2 O6 -","- C33 H27 Ir N2 O6 -","- C132 H108 Ir4 N8 O24 -","4","0.5","","Kim, Taemin; Hong, Jong-In","Photoluminescence and Electrochemiluminescence Dual-Signaling Sensors for Selective Detection of Cysteine Based on Iridium(III) Complexes.","ACS omega","2019","4","7","12616","12625","10.1021/acsomega.9b01501","","x-ray","1.54184","CuKα","","0.0153","0.015","","","0.0384","0.0385","","","","","","1.089","","","","has coordinates","239663","2020-10-21","18:00:00",""
"4516973","11.7689","0.0003","11.6234","0.0003","13.7556","0.0004","90","","100.235","0.002","90","","1851.75","0.09","293","2","293","2","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","1","","Saigal, ?; Irfan, Mohammad; Khan, Parvez; Abid, Mohammad; Khan, Md Musawwer","Design, Synthesis, and Biological Evaluation of Novel Fused Spiro-4<i>H</i>-Pyran Derivatives as Bacterial Biofilm Disruptor.","ACS omega","2019","4","16","16794","16807","10.1021/acsomega.9b01571","","x-ray","0.71073","MoKα","","0.0521","0.0443","","","0.1241","0.1304","","","","","","1.08","","","","has coordinates","239664","2020-10-21","18:00:00",""
"4516974","24.0794","0.001","4.5338","0.0002","19.1155","0.0007","90","","92.32","0.003","90","","2085.15","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 O -","- C24 H22 N6 O -","- C96 H88 N24 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones.","ACS omega","2019","4","7","11701","11711","10.1021/acsomega.9b01650","","","1.54178","CuKα","","0.0868","0.0499","","","0.1215","0.1461","","","","","","1.01","","","","has coordinates","239665","2020-10-21","18:00:00",""
"4516975","17.612","0.013","7.593","0.006","15.88","0.012","90","","109.057","0.009","90","","2007","3","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Br N6 O1.5 -","- C22 H18 Br N6 O1.5 -","- C88 H72 Br4 N24 O6 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones.","ACS omega","2019","4","7","11701","11711","10.1021/acsomega.9b01650","","","0.71075","MoKα","","","0.0694","","","","0.2197","","","","","","1.039","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4516976","12.8334","0.0015","18.935","0.002","21.972","0.002","66.153","0.004","86.673","0.004","89.451","0.004","4874.6","0.9","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H57 N5 Si4 Y -","- C53 H57 N5 Si4 Y -","- C212 H228 N20 Si16 Y4 -","4","2","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0854","0.0497","","","0.1291","0.1431","","","","","","1.124","","","","has coordinates,has disorder","239667","2020-10-21","18:00:00",""
"4516977","10.0846","0.0007","10.7246","0.0007","14.7495","0.0011","88.535","0.003","85.525","0.003","72.732","0.003","1518.66","0.19","100","2","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Al N3 -","- C36 H40 Al N3 -","- C72 H80 Al2 N6 -","2","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.1019","0.0622","","","0.1508","0.175","","","","","","1.046","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516978","11.597","0.005","16.582","0.007","21.396","0.005","96.041","0.006","104.761","0.006","94.927","0.007","3929","3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 N3 O Si4 Y -","- C76 H96 N3 O Si4 Y -","- C152 H192 N6 O2 Si8 Y2 -","2","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0679","0.0499","","","0.1268","0.1367","","","","","","1.02","","","","has coordinates,has disorder","239667","2020-10-21","18:00:00",""
"4516979","12.1287","0.0007","22.4625","0.0013","24.6736","0.0014","90","","90.137","0.003","90","","6722.1","0.7","100","2","100.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 N5 Si2 Y -","- C80 H78 N5 Si2 Y -","- C320 H312 N20 Si8 Y4 -","4","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","1.54178","CuKα","","0.0443","0.0421","","","0.1042","0.106","","","","","","1.023","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516980","13.128","0.0006","20.0709","0.0009","16.0162","0.0007","90","","110.871","0.002","90","","3943.2","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 Cl3 N3 Zr -","- C42 H26 Cl3 N3 Zr -","- C168 H104 Cl12 N12 Zr4 -","4","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.029","0.0247","","","0.0655","0.0686","","","","","","1.04","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516981","13.9945","0.001","14.8672","0.0011","17.6684","0.0012","73.736","0.003","87.627","0.003","88.402","0.003","3525.4","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N6 Ti -","- C38 H48 N6 Ti -","- C152 H192 N24 Ti4 -","4","2","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0456","0.0344","","","0.0891","0.0933","","","","","","1.035","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516982","9.9856","0.0003","19.6192","0.0005","19.7416","0.0006","90.133","0.002","92.002","0.002","99.276","0.002","3814.54","0.19","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F18 Gd2 N6 O16 S4 -","- C68 H54 F18 Gd2 N6 O16 S4 -","- C136 H108 F36 Gd4 N12 O32 S8 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.0442","0.0351","","","0.0791","0.0836","","","","","","1.037","","","","has coordinates,has disorder","239668","2020-10-21","18:00:00",""
"4516983","9.9699","0.0004","19.6079","0.0008","19.731","0.0008","90.217","0.003","91.986","0.003","99.345","0.003","3803.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F18 N6 O16 S4 Tb2 -","- C68 H54 F18 N6 O16 S4 Tb2 -","- C136 H108 F36 N12 O32 S8 Tb4 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.0733","0.0499","","","0.0855","0.0948","","","","","","1.065","","","","has coordinates,has disorder","239669","2020-10-21","18:00:00",""
"4516984","9.9929","0.0002","19.6326","0.0005","19.7711","0.0005","90.085","0.002","91.986","0.002","99.198","0.002","3826.55","0.16","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 Eu2 F18 N6 O16 S4 -","- C68 H54 Eu2 F18 N6 O16 S4 -","- C136 H108 Eu4 F36 N12 O32 S8 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.044","0.0355","","","0.0794","0.0833","","","","","","1.038","","","","has coordinates,has disorder","239670","2020-10-21","18:00:00",""
"4516985","9.3998","0.0007","10.5054","0.0008","13.1922","0.0011","96.831","0.002","101.592","0.002","114.954","0.002","1126.16","0.15","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N4 O10 Tb -","- C22 H15 N4 O10 Tb -","- C44 H30 N8 O20 Tb2 -","2","1","","Zhao, Shenglu; Xiao, Jiannan; Zheng, Tianxiang; Liu, Meiying; Wu, Haonan; Liu, Zhiliang","Highly Selective and Sensitive Detection of PO<sub>4</sub><sup>3-</sup> Ions in Aqueous Solution by a Luminescent Terbium Metal-Organic Framework.","ACS omega","2019","4","15","16378","16384","10.1021/acsomega.9b01911","","","0.71073","MoKα","","0.0171","0.0171","","","0.0582","0.0583","","","","","","1.009","","","","has coordinates","239671","2020-10-21","18:00:00",""
"4516986","12.232","0.002","15.846","0.003","15.553","0.003","90","","105.279","0.003","90","","2908.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Ir N3 O5 P -","- C31 H31 Ir N3 O5 P -","- C124 H124 Ir4 N12 O20 P4 -","4","1","","Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min","Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties.","ACS omega","2019","4","15","16543","16550","10.1021/acsomega.9b02311","","","0.71073","MoKα","","0.0415","0.0315","","","0.0926","0.0991","","","","","","1.021","","","","has coordinates","239672","2020-10-21","18:00:00",""
"4516987","34.92","0.03","10.096","0.008","16.247","0.013","90","","104.98","0.014","90","","5533","8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 F4 Ir N3 O3 P -","- C27 H17 F4 Ir N3 O3 P -","- C216 H136 F32 Ir8 N24 O24 P8 -","8","1","","Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min","Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties.","ACS omega","2019","4","15","16543","16550","10.1021/acsomega.9b02311","","","0.71073","MoKα","","0.0324","0.027","","","0.0748","0.0781","","","","","","0.97","","","","has coordinates","239673","2020-10-21","18:00:00",""
"4516988","16.7562","0.0006","12.0231","0.0005","11.4859","0.0004","90","","90","","90","","2313.97","0.15","142","2","142","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Si2 Sn -","- C21 H32 N2 O Si2 Sn -","- C84 H128 N8 O4 Si8 Sn4 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0361","0.0247","","","0.0535","0.0574","","","","","","1.016","","","","has coordinates","239674","2020-10-21","18:00:00",""
"4516989","6.5883","0.0007","15.0745","0.0016","16.3118","0.0018","90","","99.563","0.004","90","","1597.5","0.3","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O Si2 Sn -","- C14 H20 O Si2 Sn -","- C56 H80 O4 Si8 Sn4 -","4","1","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0554","0.0294","","","0.06","0.0659","","","","","","1.025","","","","has coordinates","239675","2020-10-21","18:00:00",""
"4516990","6.4984","0.0003","15.098","0.0008","16.2057","0.0008","90","","100.832","0.002","90","","1561.66","0.13","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ge O Si2 -","- C14 H20 Ge O Si2 -","- C56 H80 Ge4 O4 Si8 -","4","1","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0353","0.0238","","","0.0603","0.0636","","","","","","1.02","","","","has coordinates","239676","2020-10-21","18:00:00",""
"4516991","14.6027","0.0005","21.7849","0.0009","31.2862","0.0013","90","","98.897","0.002","90","","9833","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O Pb Si2 -","- C14 H20 O Pb Si2 -","- C336 H480 O24 Pb24 Si48 -","24","6","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0741","0.0425","","","0.0782","0.0898","","","","","","1.057","","","","has coordinates,has disorder","239677","2020-10-21","18:00:00",""
"4516992","16.8368","0.0012","12.0431","0.0008","11.5413","0.0009","90","","90","","90","","2340.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Pb Si2 -","- C21 H32 N2 O Pb Si2 -","- C84 H128 N8 O4 Pb4 Si8 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0559","0.0426","","","0.0745","0.0775","","","","","","1.247","","","","has coordinates","239678","2020-10-21","18:00:00",""
"4516993","7.3045","0.0003","7.6279","0.0004","11.8666","0.0004","78.431","0.004","87.969","0.003","62.9","0.005","575.45","0.05","109.99","0.1","109.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C30 H16 Br2 N2 O2 -","2","1","","Zou, Song; Liu, Yu; Xi, Chanjuan","Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles.","ACS omega","2019","4","20","18734","18740","10.1021/acsomega.9b02679","","x-ray","1.54184","CuKα","","0.0296","0.0241","","","0.0603","0.0654","","","","","","1.116","","","","has coordinates","239679","2020-10-21","18:00:00",""
"4516994","7.2824","0.0002","8.2333","0.0003","9.9984","0.0004","97.9","0.003","90.784","0.003","104.758","0.003","573.46","0.04","169.99","0.11","169.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Zou, Song; Liu, Yu; Xi, Chanjuan","Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles.","ACS omega","2019","4","20","18734","18740","10.1021/acsomega.9b02679","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.0992","0.1062","","","","","","1.072","","","","has coordinates","239680","2020-10-21","18:00:00",""
"4516995","7.8659","0.0005","10.7334","0.0005","15.3411","0.0009","102.735","0.005","93.637","0.005","107.559","0.005","1192.67","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cu N2 O7 -","- C28 H20 Cu N2 O7 -","- C56 H40 Cu2 N4 O14 -","2","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0767","0.0678","","","0.1796","0.187","","","","","","1.07","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516996","7.6269","0.0002","18.8777","0.0006","16.9569","0.0006","90","","101.225","0.002","90","","2394.72","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O6 Zn -","- C28 H18 N2 O6 Zn -","- C112 H72 N8 O24 Zn4 -","4","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0643","0.0393","","","0.0945","0.1052","","","","","","1.086","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516997","13.6241","0.0005","19.7951","0.0009","15.5784","0.0006","90","","107.568","0.004","90","","4005.4","0.3","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H34 Cl2 Cu N6 O8 -","- C40 H34 Cl2 Cu N6 O8 -","- C160 H136 Cl8 Cu4 N24 O32 -","4","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0633","0.045","","","0.1339","0.1556","","","","","","1.004","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516998","13.3912","0.0013","13.7749","0.0009","13.12","0.0016","90","","116.239","0.014","90","","2170.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl Cu N3 O8 -","- C20 H22 Cl Cu N3 O8 -","- C80 H88 Cl4 Cu4 N12 O32 -","4","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0583","0.0485","","","0.1299","0.136","","","","","","1.072","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516999","16.1308","0.0005","23.6787","0.0007","9.7385","0.0003","90","","90","","90","","3719.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H54 Cd3 N6 O18 -","- C84 H54 Cd3 N6 O18 -","- C168 H108 Cd6 N12 O36 -","2","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0422","0.031","","","0.0413","0.0429","","","","","","1.245","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4517000","11.1068","0.0005","12.9223","0.0006","19.2069","0.0008","77.295","0.004","74.617","0.004","83.817","0.005","2589.3","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 B Cl2 F15 N3 V -","- C51 H40 B Cl2 F15 N3 V -","- C102 H80 B2 Cl4 F30 N6 V2 -","2","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71075","MoKα","","0.0545","0.0462","","","0.1465","0.1505","","","","","","1.072","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517001","23.5392","0.0006","16.1604","0.0005","31.5068","0.0008","90","","97.42","0.002","90","","11884.9","0.6","296","","296","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H44 B Cl2 F15 N3 V -","- C53 H44 B Cl1.7416 F15 N3 V -","- C424 H352 B8 Cl13.9328 F120 N24 V8 -","8","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71073","MoKα","","0.0798","0.0511","","","0.1527","0.166","","","","","","1.082","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517124","5.043","0.003","9.76","0.005","12.363","0.006","90","","101.057","0.011","90","","597.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O4 -","- C6 H2 N14 O4 -","- C12 H4 N28 O8 -","2","0.5","","Xia, Honglei; Zhang, Wenquan; Jin, Yunhe; Song, Siwei; Wang, Kangcai; Zhang, Qinghua","Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into Fused Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17384","","","0.71073","MoKα","","0.1148","0.0596","","","0.1587","0.2192","","","","","","1.045","","","","has coordinates","242131","2020-10-21","18:00:00",""
"4517125","7.9219","0.0009","10.2466","0.0012","11.8205","0.0014","90","","97.146","0.003","90","","952.05","0.19","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N22 O4 -","- C8 H14 N22 O4 -","- C16 H28 N44 O8 -","2","0.5","","Xia, Honglei; Zhang, Wenquan; Jin, Yunhe; Song, Siwei; Wang, Kangcai; Zhang, Qinghua","Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into Fused Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17384","","","0.71073","MoKα","","0.0576","0.0432","","","0.1081","0.1197","","","","","","1.089","","","","has coordinates","242132","2020-10-21","18:00:00",""
"4517126","6.0697","0.0003","9.8628","0.0006","33.219","0.002","90","","94.088","0.002","90","","1983.6","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 K2 N14 O4 -","- C6 K2 N14 O4 -","- C36 K12 N84 O24 -","6","1.5","","Xia, Honglei; Zhang, Wenquan; Jin, Yunhe; Song, Siwei; Wang, Kangcai; Zhang, Qinghua","Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into Fused Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17384","","","0.71073","MoKα","","0.1514","0.0486","","","0.1078","0.1512","","","","","","1.036","","","","has coordinates","242133","2020-10-21","18:00:00",""
"4517127","3.6702","0.0018","17.111","0.009","15.423","0.008","90","","93.154","0.012","90","","967.1","0.9","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N20 O6 -","- C8 H16 N20 O6 -","- C16 H32 N40 O12 -","2","0.5","","Xia, Honglei; Zhang, Wenquan; Jin, Yunhe; Song, Siwei; Wang, Kangcai; Zhang, Qinghua","Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into Fused Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17384","","","0.71073","MoKα","","0.1377","0.0623","","","0.1487","0.1908","","","","","","0.932","","","","has coordinates","242135","2020-10-21","18:00:00",""
"4517128","9.1689","0.0004","5.5698","0.0002","14.9671","0.0007","90","","100.827","0.002","90","","750.75","0.06","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N18 O4 -","- C6 H10 N18 O4 -","- C12 H20 N36 O8 -","2","0.5","","Xia, Honglei; Zhang, Wenquan; Jin, Yunhe; Song, Siwei; Wang, Kangcai; Zhang, Qinghua","Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into Fused Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17384","","","0.71073","MoKα","","0.0755","0.0443","","","0.1176","0.145","","","","","","0.947","","","","has coordinates","242137","2020-10-21","18:00:00",""
"4517129","11.0739","0.0004","11.3132","0.0004","10.2916","0.0003","90","","93.622","0.003","90","","1286.77","0.08","296","0.5","296","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong","F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides","ACS Catalysis","2019","","","11802","","10.1021/acscatal.9b04352","","x-ray","1.54184","CuKα","","0.0707","0.0643","","","0.169","0.1817","","","","","","1.039","","","","has coordinates","242166","2020-10-21","18:00:00",""
"4517130","7.4537","0.0003","10.8662","0.0005","12.8697","0.0007","105.015","0.005","99.127","0.004","100.612","0.004","965.9","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O -","- C23 H25 N O -","- C46 H50 N2 O2 -","2","1","","Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong","F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides","ACS Catalysis","2019","","","11802","","10.1021/acscatal.9b04352","","x-ray","1.54184","CuKα","","0.0646","0.056","","","0.1606","0.1747","","","","","","1.021","","","","has coordinates","242167","2020-10-21","18:00:00",""
"4517131","5.8229","0.0005","19.461","0.002","15.4449","0.0018","90","","91.423","0.008","90","","1749.7","0.3","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Chen, Bin; Zhang, Yunxing; Wu, Rui; Fang, Dongmei; Chen, Xiaozhen; Wang, Simin; Zhao, Yuqiong; Hu, Ping; Zhao, Ke-Qing; Wang, Bi-Qin; Cao, Peng","Modular Synthesis of 2,8-Dioxabicyclo[3.2.1]octanes by Sequential Catalysis","ACS Catalysis","2019","","","11788","","10.1021/acscatal.9b04183","","x-ray","0.71073","MoKα","","0.1191","0.0536","","","0.0933","0.1191","","","","","","0.992","","","","has coordinates","242168","2020-10-21","18:00:00",""
"4517132","19.732","0.009","17.324","0.009","9.857","0.005","90","","96.091","0.006","90","","3350","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 N2 O5 -","- C36 H36 Br2 N2 O5 -","- C144 H144 Br8 N8 O20 -","4","1","","Yang, Jun-Li; Ma, Yong-Hui; Li, Yan-Hua; Zhang, Yi-Peng; Tian, Hong-Chang; Huang, Yuan-Cheng; Li, Yan; Chen, Wen; Yang, Li-Juan","Design, Synthesis, and Anticancer Activity of Novel Trimethoxyphenyl-Derived Chalcone-Benzimidazolium Salts","ACS Omega","2019","4","23","20381","","10.1021/acsomega.9b03077","","","0.71073","MoKα","","0.1441","0.0519","","","0.0942","0.1166","","","","","","0.876","","","","has coordinates,has disorder","246539","2020-10-21","18:00:00",""
"4517133","7.2508","0.0019","8.01","0.003","8.795","0.002","82.177","0.011","70.183","0.007","64.893","0.007","435.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe2 N2 O12 -","- C14 H10 Fe2 N2 O12 -","- C14 H10 Fe2 N2 O12 -","1","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”","ACS Omega","2019","4","23","20423","","10.1021/acsomega.9b03593","","","0.71073","MoKα","","0.1589","0.0901","","","0.2371","0.2811","","","","","","1.089","","","","has coordinates","246540","2020-10-21","18:00:00",""
"4517134","11.3981","0.0011","21.713","0.002","7.5145","0.0007","90","","90.043","0.004","90","","1859.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”","ACS Omega","2019","4","23","20423","","10.1021/acsomega.9b03593","","","0.71073","MoKα","","0.0829","0.0494","","","0.1271","0.1517","","","","","","1.059","","","","has coordinates","246540","2020-10-21","18:00:00",""
"4517135","19.559","0.003","13.6319","0.0019","24.52","0.004","90","","106.255","0.004","90","","6276.3","1.7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Co4 F6 N15 O16 P -","- C56 H64 Co4 F6 N15 O16 P -","- C224 H256 Co16 F24 N60 O64 P4 -","4","0.5","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik","Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study","ACS Omega","2019","","","","","10.1021/acsomega.9b02764","","","0.71073","MoKα","","0.1233","0.072","","","0.1855","0.2331","","","","","","1.036","","","","has coordinates,has disorder","242188","2020-10-21","18:00:00",""
"4517136","19","0.005","13.808","0.004","24.205","0.008","90","","104.68","0.009","90","","6143","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Co4 F6 N15 O16 P -","- C52 H56 Co4 F6 N15 O16 P -","- C208 H224 Co16 F24 N60 O64 P4 -","4","0.5","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik","Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study","ACS Omega","2019","","","","","10.1021/acsomega.9b02764","","","0.71073","MoKα","","0.0383","0.0368","","","0.0948","0.0962","","","","","","1.048","","","","has coordinates,has disorder","242190","2020-10-21","18:00:00",""
"4517146","32.6735","0.0004","32.6735","0.0004","32.6735","0.0004","90","","90","","90","","34880.8","0.7","100","2","100","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C8 H7 Fe N6 O -","- C8 H7 Fe N6 O -","- C768 H672 Fe96 N576 O96 -","96","1","","Ding, Chong-Wei; Luo, Wenzhi; Zhou, Jie-Yi; Ma, Xin-Jie; Chen, Guang-Hui; Zhou, Xiao-Ping; Li, Dan","Hydroxo Iron(III) Sites in a Metal-Organic Framework: Proton-Coupled Electron Transfer and Catalytic Oxidation of Alcohol with Molecular Oxygen.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15311","","","1.54184","CuKα","","0.1369","0.1067","","","0.2483","0.2711","","","","","","1.114","","","","has coordinates,has disorder","243785","2020-10-21","18:00:00",""
"4517147","6.326","0.0003","10.0783","0.0004","12.7658","0.0005","69.309","0.002","86.674","0.002","77.439","0.002","743.01","0.06","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","2","","Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R.","Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts","ACS Catalysis","2019","","","51","","10.1021/acscatal.9b03874","","","1.54178","CuKα","","0.0475","0.0461","","","0.1288","0.1308","","","","","","1.054","","","","has coordinates","243786","2020-10-21","18:00:00",""
"4517148","6.3498","0.0003","10.024","0.0004","11.8562","0.0005","90","","98.403","0.001","90","","746.55","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R.","Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts","ACS Catalysis","2019","","","51","","10.1021/acscatal.9b03874","","","1.54178","CuKα","","0.0361","0.0357","","","0.1027","0.1031","","","","","","1.119","","","","has coordinates","243787","2020-10-21","18:00:00",""
"4517149","17.416","0.004","15.909","0.004","17.479","0.004","90","","111.302","0.003","90","","4512.1","1.9","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","Ru2","","","- C36 H58 Cl3 F3 N2 O7 P2 Ru2 S -","- C36 H58 Cl3 F3 N2 O7 P2 Ru2 S -","- C144 H232 Cl12 F12 N8 O28 P8 Ru8 S4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols","ACS Catalysis","2019","","","56","","10.1021/acscatal.9b03679","","","0.71073","MoKα","","0.0335","0.0265","","","0.0633","0.0672","","","","","","1.046","","","","has coordinates,has disorder","243788","2020-10-21","18:00:00",""
"4517150","13.4","0.005","20.266","0.008","19.218","0.008","90","","97.812","0.006","90","","5170","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Ru3","","","- C44 H71 Cl2 F3 N3 O4 P3 Ru3 S -","- C44.001 H71 Cl2 F3.003 N3 O4.003 P3 Ru3 S1.001 -","- C176.004 H284 Cl8 F12.012 N12 O16.012 P12 Ru12 S4.004 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Catalyst Evolution in Ruthenium-Catalyzed Coupling of Amines and Alcohols","ACS Catalysis","2019","","","56","","10.1021/acscatal.9b03679","","","0.71073","MoKα","","0.0835","0.0409","","","0.07","0.0771","","","","","","1.002","","","","has coordinates,has disorder","243789","2020-10-21","18:00:00",""
"4517151","7.3993","0.0004","11.5801","0.0006","7.7694","0.0004","90","","103.973","0.003","90","","646.02","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C26 H36 O12 -","2","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.0837","0.0773","","","0.1938","0.2014","","","","","","1.037","","","","has coordinates","243791","2020-10-21","18:00:00",""
"4517152","9.512","0.003","11.725","0.003","17.418","0.005","98.197","0.003","104.309","0.003","97.372","0.003","1835.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H49 Al N6 O -","- C34 H49 Al N6 O -","- C68 H98 Al2 N12 O2 -","2","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.1662","0.1146","","","0.2744","0.3031","","","","","","1.094","","","","has coordinates","243792","2020-10-21","18:00:00",""
"4517153","7.743","0.005","5.358","0.005","25.066","0.005","90","","90","","90","","1039.9","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.0354","0.032","","","0.0801","0.0817","","","","","","1.079","","","","has coordinates","243793","2020-10-21","18:00:00",""
"4517154","13.1861","0.0009","20.9038","0.0013","18.7818","0.0011","90","","94.562","0.005","90","","5160.6","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C117 H102 Au Cl O4 P6 Pt2 -","- C96 H78 Au Cl O4 P6 Pt2 -","- C192 H156 Au2 Cl2 O8 P12 Pt4 -","2","1","","Xiao, Hui; Zhang, Xu; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Qian-Chong; Chen, Zhong-Ning","Enhancing Phosphorescence through Rigidifying the Conformation to Achieve High-Efficiency OLEDs by Modified PEDOT.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15807","","","0.71073","MoKα","","0.0355","0.0329","","","0.0895","0.0907","","","","","","1.027","","","","has coordinates","244786","2020-10-21","18:00:00",""
"4517155","21.615","0.003","24.376","0.003","22.321","0.003","90","","96.341","0.002","90","","11689","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C104 H91 Au Cl N O4 P6 Pt2 -","- C104 H91 Au Cl N O4 P6 Pt2 -","- C416 H364 Au4 Cl4 N4 O16 P24 Pt8 -","4","1","","Xiao, Hui; Zhang, Xu; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Qian-Chong; Chen, Zhong-Ning","Enhancing Phosphorescence through Rigidifying the Conformation to Achieve High-Efficiency OLEDs by Modified PEDOT.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b15807","","","0.71073","MoKα","","0.0648","0.06","","","0.1919","0.1986","","","","","","0.999","","","","has coordinates,has disorder","244787","2020-10-21","18:00:00",""
"4517156","9.5238","0.0004","12.2283","0.0006","13.4495","0.0006","79.596","0.004","80.582","0.004","88.007","0.004","1519.79","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N3 Nd O12 -","- C18 H30 N3 Nd O12 -","- C36 H60 N6 Nd2 O24 -","2","1","","Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin","Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions","ACS Omega","2019","","","","","10.1021/acsomega.9b03241","","x-ray","0.71073","MoKα","","0.0389","0.0321","","","0.0561","0.0586","","","","","","0.993","","","","has coordinates","244788","2020-10-21","18:00:00",""
"4517157","9.4804","0.0005","12.3468","0.001","13.5959","0.001","79.729","0.006","80.339","0.005","87.876","0.005","1543.68","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 La N3 O12 -","- C18 H30 La N3 O12 -","- C36 H60 La2 N6 O24 -","2","1","","Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin","Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions","ACS Omega","2019","","","","","10.1021/acsomega.9b03241","","x-ray","0.71073","MoKα","","0.0566","0.0446","","","0.0795","0.0858","","","","","","0.962","","","","has coordinates","244789","2020-10-21","18:00:00",""
"4517158","11.8211","0.0005","11.4458","0.0005","38.5705","0.0016","90","","93.243","0.004","90","","5210.3","0.4","102.5","1","102.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","BP-CDTC","Phenyl(4-(3,3'',6,6''-tetra-tert-butyl-9'H-[9,3':6',9''-tercarbazol]-9'-yl)phenyl)methanone","","- C65 H63 N3 O -","- C65 H63 N3 O -","- C260 H252 N12 O4 -","4","2","","Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian","Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16073","","x-ray","1.54184","CuKα","","0.1101","0.097","","","0.2511","0.2657","","","","","","1.075","","","","has coordinates","244857","2020-10-21","18:00:00",""
"4517159","11.9149","0.0001","37.9796","0.0002","22.3564","0.0002","90","","90.099","0.001","90","","10116.8","0.14","135","40","135","40","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 N4 O -","- C64 H62 N4 O -","- C512 H496 N32 O8 -","8","2","","Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian","Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16073","","x-ray","1.54184","CuKα","","0.0355","0.0338","","","0.0878","0.0889","","","","","","1.04","","","","has coordinates,has disorder","244858","2020-10-21","18:00:00",""
"4517160","8.5419","0.0003","13.4237","0.0004","15.188","0.0006","108.021","0.003","101.695","0.003","93.376","0.002","1607.82","0.1","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","BPy3-TXDMAc","","- C37 H24 N2 O S -","- C37 H24 N2 O S -","- C74 H48 N4 O2 S2 -","2","1","","Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian","Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16073","","x-ray","1.54184","CuKα","","0.0643","0.053","","","0.1613","0.1685","","","","","","1.069","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4517161","8.1668","0.0001","31.2974","0.0002","10.781","0.0001","90","","104.038","0.001","90","","2673.32","0.05","103","3","103","3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H25 N O S -","- C38 H25 N O S -","- C152 H100 N4 O4 S4 -","4","2","","Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian","Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b16073","","x-ray","1.54184","CuKα","","0.0309","0.0306","","","0.0813","0.0815","","","","","","1.033","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517162","12.2076","0.0007","12.7468","0.0007","16.7154","0.0009","75.2715","0.0007","69.3507","0.0007","63.0204","0.0006","2155.2","0.2","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C53 H44 Cl Fe N O3 S -","- C53 H44 Cl Fe N O3 S -","- C106 H88 Cl2 Fe2 N2 O6 S2 -","2","2","","Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi","Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis","ACS Catalysis","2019","","","292","","10.1021/acscatal.9b04438","","","0.71073","MoKα","","0.0479","0.043","","","0.1107","0.1148","","","","","","1.034","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4517163","10.9661","0.0008","17.5243","0.0012","19.8084","0.0014","90","","90","","90","","3806.6","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 Fe N2 -","- C50 H46 Fe N2 -","- C200 H184 Fe4 N8 -","4","1","","Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi","Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis","ACS Catalysis","2019","","","292","","10.1021/acscatal.9b04438","","","0.71073","MoKα","","0.0582","0.0417","","","0.0838","0.0908","","","","","","1.051","","","","has coordinates","245060","2020-10-21","18:00:00",""
"4517164","13.0414","0.0011","5.7208","0.0004","14.1145","0.0012","90","","93.997","0.004","90","","1050.48","0.15","99","2","99","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N S -","- C25 H29 N S -","- C50 H58 N2 S2 -","2","1","","Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L.","Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes","ACS Catalysis","2019","","","282","","10.1021/acscatal.9b04871","","","0.71073","MoKα","","0.0454","0.044","","","0.1092","0.1098","","","","","","1.125","","","","has coordinates,has disorder","245061","2020-10-21","18:00:00",""
"4517165","9.5205","0.0003","13.2892","0.0004","14.2405","0.0004","76.299","0.003","75.44","0.003","73.252","0.003","1643.39","0.09","172.99","0.1","172.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H40 Cl Fe N O P S -","- C37 H40 Cl Fe N O P S -","- C74 H80 Cl2 Fe2 N2 O2 P2 S2 -","2","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.0809","0.0645","","","0.1721","0.207","","","","","","1.044","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517166","15.0306","0.0007","14.4302","0.0006","20.0912","0.0009","90","","106.058","0.005","90","","4187.6","0.3","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 Fe O P2 S2 -","- C49 H50 Fe O P2 S2 -","- C196 H200 Fe4 O4 P8 S8 -","4","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","0.71073","MoKα","","0.0873","0.05","","","0.1292","0.143","","","","","","1.068","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517167","11.3428","0.0003","11.7215","0.0003","24.5548","0.0007","90","","90","","90","","3264.67","0.15","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C144 H192 N16 O8 -","8","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.079","0.0586","","","0.131","0.1517","","","","","","1.125","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517168","16.3043","0.0004","8.1054","0.0002","18.5358","0.0005","90","","90","","90","","2449.56","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N -","- C17 H15 N -","- C136 H120 N8 -","8","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.0548","0.0463","","","0.1182","0.1294","","","","","","1.093","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517169","9.6851","0.0003","7.3807","0.0003","31.3965","0.0011","90","","90","","90","","2244.31","0.14","180.01","0.12","180.01","0.12","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Wu, Bin; Zhu, Rong","Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes","ACS Catalysis","2019","10","1","510","","10.1021/acscatal.9b04774","","x-ray","1.54184","CuKα","","0.0795","0.0755","","","0.1797","0.182","","","","","","1.022","","","","has coordinates","246531","2020-10-21","18:00:00",""
"4517170","19.1587","0.0012","20.6734","0.0011","20.688","0.0009","90","","107.466","0.002","90","","7816.2","0.7","149.96","","149.96","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 N O3 P2 Ru -","- C49 H39 N O3 P2 Ru -","- C392 H312 N8 O24 P16 Ru8 -","8","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.024","0.0217","","","0.0583","0.06","","","","","","1.052","","","","has coordinates","245064","2020-10-21","18:00:00",""
"4517171","8.9649","0.0008","9.952","0.0007","11.7814","0.0011","100.554","0.003","105.986","0.003","111.878","0.002","888.28","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 Cl N4 -","- C21 H19 Cl N4 -","- C42 H38 Cl2 N8 -","2","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0407","0.0376","","","0.1031","0.1059","","","","","","1.078","","","","has coordinates","245065","2020-10-21","18:00:00",""
"4517172","19.3115","0.0008","5.8472","0.0003","12.709","0.0005","90","","106.294","0.002","90","","1377.44","0.11","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 -","- C18 H15 F N2 -","- C72 H60 F4 N8 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.06","0.0546","","","0.1202","0.1234","","","","","","1.159","","","","has coordinates,has disorder","245066","2020-10-21","18:00:00",""
"4517173","16.2264","0.0008","9.3716","0.0004","17.7053","0.001","90","","90","","90","","2692.4","0.2","100.1","","100.1","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 N2 O2 P Ru -","- C33 H29 N2 O2 P Ru -","- C132 H116 N8 O8 P4 Ru4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.016","0.0155","","","0.0408","0.0412","","","","","","1.034","","","","has coordinates","245067","2020-10-21","18:00:00",""
"4517174","11.9019","0.0007","15.2039","0.0009","24.7562","0.0015","90","","93.907","0.003","90","","4469.4","0.5","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 N O3.5 P2 Ru -","- C55 H53 N O3.5 P2 Ru -","- C220 H212 N4 O14 P8 Ru4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0516","0.0435","","","0.1132","0.1183","","","","","","1.048","","","","has coordinates,has disorder","245068","2020-10-21","18:00:00",""
"4517175","18.7085","0.0006","6.2302","0.0002","24.4878","0.001","90","","90","","90","","2854.24","0.17","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C144 H128 N16 O8 -","8","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0469","0.0436","","","0.108","0.1102","","","","","","1.068","","","","has coordinates","245069","2020-10-21","18:00:00",""
"4517176","8.1191","0.0004","5.6386","0.0003","31.0628","0.0017","90","","93.276","0.002","90","","1419.74","0.13","100","","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O -","- C18 H15 F N2 O -","- C72 H60 F4 N8 O4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0389","0.037","","","0.0984","0.1001","","","","","","1.039","","","","has coordinates","245070","2020-10-21","18:00:00",""
"4517177","11.2425","0.0007","9.3295","0.0006","16.3348","0.0011","90","","94.764","0.002","90","","1707.39","0.19","100","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F N4 -","- C21 H19 F N4 -","- C84 H76 F4 N16 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0428","0.0392","","","0.1076","0.1096","","","","","","1.041","","","","has coordinates","245071","2020-10-21","18:00:00",""
"4517178","6.3344","0.0007","12.4251","0.0018","13.9524","0.0019","106.848","0.005","91.291","0.005","93.64","0.005","1047.9","0.2","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C54 H44 N8 O4 -","2","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0433","0.0393","","","0.1089","0.1124","","","","","","1.045","","","","has coordinates","245072","2020-10-21","18:00:00",""
"4517179","10.4593","0.001","16.8136","0.0017","16.9094","0.0011","94.418","0.002","94.02","0.003","90.953","0.003","2956.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 B F2 N6 -","- C34 H33 B F2 N6 -","- C136 H132 B4 F8 N24 -","4","2","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0569","0.0464","","","0.1217","0.1302","","","","","","1.031","","","","has coordinates","245073","2020-10-21","18:00:00",""
"4517180","10.1416","0.0006","27.4937","0.0013","10.2461","0.0006","90","","101.977","0.002","90","","2794.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 N5 O2 -","- C33 H35 N5 O2 -","- C132 H140 N20 O8 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0455","0.0409","","","0.1081","0.1117","","","","","","1.039","","","","has coordinates","245074","2020-10-21","18:00:00",""
"4517181","12.2928","0.0003","6.0102","0.0001","36.9034","0.0009","90","","90","","90","","2726.5","0.1","99.97","","99.97","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0443","0.0431","","","0.1153","0.1162","","","","","","1.05","","","","has coordinates,has disorder","245075","2020-10-21","18:00:00",""
"4517182","19.389","0.005","15.694","0.004","17.49","0.004","90","","101.224","0.002","90","","5220","2","172.99","0.1","172.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Mo O2 P S -","- C30 H29 Mo O2 P S -","- C240 H232 Mo8 O16 P8 S8 -","8","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","","0.71","synchrotron","","0.0517","0.0351","","","0.0725","0.0822","","","","","","1.0553","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517183","11.1302","0.0005","13.2104","0.0005","13.9442","0.0005","75.533","0.003","73.017","0.004","67.252","0.004","1786.43","0.14","172.99","0.1","173","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H38 B2 F8 Mo N3 P S -","- C34 H38 B2 F8 Mo N3 P S -","- C68 H76 B4 F16 Mo2 N6 P2 S2 -","2","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","","0.71","MoKα","","0.0519","0.0438","","","0.1065","0.1135","","","","","","1.072","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517184","11.1248","0.0002","18.197","0.0003","12.9432","0.0002","90","","90.632","0.002","90","","2620.04","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Mo N P S -","- C30 H32 Mo N P S -","- C120 H128 Mo4 N4 P4 S4 -","4","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","x-ray","1.54184","CuKα","","0.0585","0.0433","","","0.1017","0.1163","","","","","","1.0278","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517185","10.8462","0.0002","16.9076","0.0003","14.8894","0.0003","90","","105.26","0.002","90","","2634.19","0.09","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Mo P S -","- C28 H32 B Mo P S -","- C112 H128 B4 Mo4 P4 S4 -","4","1","","Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles","ACS Catalysis","2019","","","380","","10.1021/acscatal.9b04455","","x-ray","1.54184","CuKα","","0.0463","0.0364","","","0.0933","0.1029","","","","","","1.048","","","","has coordinates","245076","2020-10-21","18:00:00",""
"4517186","13.3839","0.0005","19.2766","0.0009","8.6173","0.0003","90","","126.48","0.002","90","","1787.62","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Samanta, Sourav; Govindaraju, Thimmaiah","Unambiguous Detection of Elevated Levels of Hypochlorous Acid in Double Transgenic AD Mouse Brain.","ACS chemical neuroscience","2019","10","12","4847","4853","10.1021/acschemneuro.9b00554","","","0.71073","MoKα","","0.079","0.0641","","","0.1718","0.1875","","","","","","1.04","","","","has coordinates","246534","2020-10-21","18:00:00",""
"4517187","15.9136","0.0005","8.7495","0.0003","17.2835","0.0006","90","","112.471","0.001","90","","2223.77","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O S -","- C27 H24 N4 O S -","- C108 H96 N16 O4 S4 -","4","1","","Lu, Hsueh-Yuan; Barve, Indrajeet J.; Selvaraju, Manikandan; Sun, Chung-Ming","One-Pot Synthesis of Unsymmetrical Bis-Heterocycles: Benzimidazole-, Benzoxazole-, and Benzothiazole-Linked Thiazolidines.","ACS combinatorial science","2019","","","","","10.1021/acscombsci.9b00161","","","0.71073","MoKα","","0.0411","0.032","","","0.091","0.1091","","","","","","1.188","","","","has coordinates","245079","2020-10-21","18:00:00",""
"4517188","9.75071","0.00005","15.60697","0.0001","21.237","0.00009","90","","90","","90","","3231.83","0.03","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cp*Ir(L-pro)Cl","","- C15 H24 Cl Ir N O2.5 -","- C15 H24 Cl Ir N O2.5 -","- C120 H192 Cl8 Ir8 N8 O20 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0244","0.0201","","","0.0322","0.0333","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517189","12.8063","0.0003","14.5872","0.0003","16.3284","0.0003","90","","90","","90","","3050.28","0.11","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0409","0.0337","","","0.0557","0.0602","","","","","","0.86","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517190","9.7519","0.0002","8.5712","0.0001","11.3815","0.0002","90","","105.931","0.002","90","","914.79","0.03","99.8","0.5","99.8","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H22 B F4 Ir N2 O2 -","- C14 H22 B F4 Ir N2 O2 -","- C28 H44 B2 F8 Ir2 N4 O4 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0365","0.0303","","","0.0545","0.057","","","","","","1.043","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517191","17.7694","0.0004","17.7694","0.0004","12.1058","0.0003","90","","90","","120","","3310.32","0.13","100.15","","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C30 H46 F12 Ir2 N2 O4 P2 -","- C30 H46 F12 Ir2 N2 O4 P2 -","- C90 H138 F36 Ir6 N6 O12 P6 -","3","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0763","0.0451","","","0.082","0.1012","","","","","","1.082","","","","has coordinates,has disorder","246537","2020-10-21","18:00:00",""
"4517192","11.8589","0.0003","12.0553","0.0003","24.3256","0.0006","97.538","0.002","93.547","0.002","94.776","0.002","3426.29","0.15","100.05","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H98 B3 F12 Ir3 N8 O11 -","- C54 H98 B3 F12 Ir3 N8 O11 -","- C108 H196 B6 F24 Ir6 N16 O22 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0579","0.0429","","","0.0748","0.0797","","","","","","1.065","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517193","37.569","0.002","12.7541","0.0003","36.915","0.002","90","","123.638","0.003","90","","14726.3","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96 H152 F48 Ir8 N8 O16 P8 -","- C96 H152 F48 Ir8 N8 O16 P8 -","- C384 H608 F192 Ir32 N32 O64 P32 -","4","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0816","0.0534","","","0.0879","0.0992","","","","","","1.063","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517194","14.4847","0.0011","14.4847","0.0011","12.3555","0.0007","90","","90","","90","","2592.3","0.3","180","2","180.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- Er Ge H6 K5 O42 W11 -","- Er Ge K4 O42 W11 -","- Er2 Ge2 K8 O84 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0614","0.045","","","0.1224","0.132","","","","","","1.116","","","","has coordinates,has disorder","288264","2023-12-12","21:08:33",""
"4517195","14.48","0.002","14.48","0.002","12.391","0.003","90","","90","","90","","2598","0.8","180","2","180","2","","","","","","","","6","I 4/m","-I 4","87","","","","- Dy Ge H8 K5 O43 W11 -","- Dy Ge K4 O43 W11 -","- Dy2 Ge2 K8 O86 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0704","0.0459","","","0.1214","0.134","","","","","","1.03","","","","has coordinates,has disorder","246538","2020-10-21","18:00:00",""
"4517196","8.4787","0.0007","11.5245","0.0009","13.9097","0.0013","93.646","0.002","107.158","0.002","93.044","0.002","1292.35","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Br N O2 -","- C28 H28 Br N O2 -","- C56 H56 Br2 N2 O4 -","2","1","","Fang, Hongbao; Yao, Shankun; Chen, Qixin; Liu, Chunyan; Cai, Yuqi; Geng, Shanshan; Bai, Yang; Tian, Zhiqi; Zacharias, Amanda L.; Takebe, Takanori; Chen, Yuncong; Guo, Zijian; He, Weijiang; Diao, Jiajie","<i>De Novo</i>-Designed Near-Infrared Nanoaggregates for Super-Resolution Monitoring of Lysosomes in Cells, in Whole Organoids, and <i>in Vivo</i>.","ACS nano","2019","","","","","10.1021/acsnano.9b08011","","","0.71073","MoKα","","0.0416","0.0335","","","0.09","0.0935","","","","","","1.063","","","","has coordinates","245083","2020-10-21","18:00:00",""
"4517197","32.917","0.01","10.637","0.003","22.889","0.008","90","","133.331","0.008","90","","5830","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H16 Cl2 N2 O6 S -","- C29 H16 Cl2 N2 O6 S -","- C232 H128 Cl16 N16 O48 S8 -","8","1","","Mukherjee, Sayan; Pramanik, Animesh","Catalyst-Free One-Pot Three-Component Synthesis of 4-Hydroxy-3-pyrazolylcoumarins in Ethanol at Room Temperature: Enolisable Aroylhydrazones as Efficient Ambident Nucleophile","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b05682","","","0.71073","MoKα","","0.2384","0.1638","","","0.4236","0.4497","","","","","","2.451","","","","has coordinates","245194","2020-10-21","18:00:00",""
"4517198","10.124","0.014","10.747","0.015","23.73","0.03","90.35","0.02","90.15","0.02","90.37","0.02","2582","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N2 O4 S -","- C30 H20 N2 O4 S -","- C120 H80 N8 O16 S4 -","4","2","","Mukherjee, Sayan; Pramanik, Animesh","Catalyst-Free One-Pot Three-Component Synthesis of 4-Hydroxy-3-pyrazolylcoumarins in Ethanol at Room Temperature: Enolisable Aroylhydrazones as Efficient Ambident Nucleophile","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b05682","","","0.71073","MoKα","","0.1899","0.1503","","","0.3953","0.4207","","","","","","2.447","","","","has coordinates","245195","2020-10-21","18:00:00",""
"4517199","15.2581","0.0005","5.4371","0.0002","22.7506","0.0007","90","","92.078","0.001","90","","1886.14","0.11","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O4 S2 -","- C22 H14 N2 O4 S2 -","- C88 H56 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0569","0.038","","","0.0869","0.0991","","","","","","1.051","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517200","8.2671","0.0003","5.6879","0.0002","29.3755","0.0013","90","","93.901","0.001","90","","1378.11","0.09","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O4 S2 -","- C36 H24 N2 O4 S2 -","- C72 H48 N4 O8 S4 -","2","0.5","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0511","0.0392","","","0.093","0.0993","","","","","","1.109","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517201","5.7858","0.0003","8.6281","0.0004","15.0315","0.0007","102.014","0.002","92.9","0.002","92.926","0.002","731.55","0.06","173","2","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C37 H26 N2 O4 S2 -","- C37 H26 N2 O4 S2 -","- C37 H26 N2 O4 S2 -","1","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0396","0.0347","","","0.0869","0.0921","","","","","","1.001","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517202","17.4089","0.0005","7.332","0.0002","24.3958","0.0007","90","","102.09","0.001","90","","3044.86","0.15","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 Br N2 O4 S2 -","- C36 H23 Br N2 O4 S2 -","- C144 H92 Br4 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0783","0.0445","","","0.0867","0.0981","","","","","","1.054","","","","has coordinates,has disorder","246542","2020-10-21","18:00:00",""
"4517203","9.7763","0.0003","11.4782","0.0004","13.9099","0.0004","108.447","0.002","97.354","0.002","90.644","0.002","1466.28","0.08","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 Br N2 O4 S2 -","- C36 H23 Br N2 O4 S2 -","- C72 H46 Br2 N4 O8 S4 -","2","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0752","0.0388","","","0.0597","0.0663","","","","","","0.895","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517204","8.161","0.0006","7.3167","0.0005","25.7134","0.0014","90","","98.197","0.003","90","","1519.7","0.17","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 N2 O5 S2 -","- C37 H24 N2 O5 S2 -","- C74 H48 N4 O10 S4 -","2","0.5","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.1111","0.05","","","0.0882","0.1031","","","","","","0.91","","","","has coordinates,has disorder","246542","2020-10-21","18:00:00",""
"4517205","7.3991","0.0002","12.6798","0.0003","17.2264","0.0005","101.818","0.002","100.205","0.002","99.579","0.002","1522.03","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 N2 O4 S2 -","- C38 H26 N2 O4 S2 -","- C76 H52 N4 O8 S4 -","2","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0915","0.0397","","","0.078","0.0887","","","","","","0.85","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517206","25.9145","0.0006","6.7971","0.0001","17.1675","0.0004","90","","118.284","0.001","90","","2662.91","0.1","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N2 O4 S2 -","- C32 H22 N2 O4 S2 -","- C128 H88 N8 O16 S8 -","4","0.5","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.057","0.0338","","","0.0798","0.0876","","","","","","0.981","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517207","13.4924","0.0017","8.1242","0.0009","26.524","0.003","90","","90.202","0.01","90","","2907.4","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O4 S2 -","- C36 H24 N2 O4 S2 -","- C144 H96 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.3321","0.0518","","","0.0564","0.0991","","","","","","0.676","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517208","11.618","0.004","28.927","0.009","8.462","0.003","90","","90","","90","","2843.9","1.7","173","2","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H24 N2 O4 S2 -","- C36 H24 N2 O4 S2 -","- C144 H96 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.2474","0.1167","","","0.1892","0.2372","","","","","","1.013","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517209","13.8166","0.0006","8.1675","0.0003","26.586","0.001","90","","90.411","0.002","90","","3000.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N2 O4 S2 -","- C37 H26 N2 O4 S2 -","- C148 H104 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.1274","0.0477","","","0.0798","0.0998","","","","","","0.876","","","","has coordinates,has disorder","246542","2020-10-21","18:00:00",""
"4517210","29.953","0.003","22.96","0.003","8.559","0.001","90","","93.217","0.008","90","","5876.9","1.2","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 Br N2 O4 S2 -","- C36 H23 Br N2 O4 S2 -","- C288 H184 Br8 N16 O32 S16 -","8","2","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.1445","0.0811","","","0.1911","0.2131","","","","","","0.978","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517211","17.15","0.001","13.8999","0.001","13.3182","0.0008","90","","110.989","0.003","90","","2964.2","0.3","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 N2 O5 S2 -","- C37 H24 N2 O5 S2 -","- C148 H96 N8 O20 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.1689","0.0509","","","0.0578","0.0777","","","","","","0.807","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517212","18.9839","0.0008","18.9144","0.0008","8.4209","0.0004","90","","99.386","0.002","90","","2983.2","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N2 O4 S2 -","- C38 H26 N2 O4 S2 -","- C152 H104 N8 O16 S8 -","4","1","","Botes, Delbert S.; Khorasani, Sanaz; Duminy, Welni; Levendis, Demetrius C.; Fernandes, Manuel A.","Supramolecular Inhibition of [4 + 2] Diels‒Alder Reactions in Charge-Transfer Crystals","Crystal Growth & Design","2019","20","1","291","","10.1021/acs.cgd.9b01167","","","0.71073","MoKα","","0.0494","0.0371","","","0.085","0.0908","","","","","","1.027","","","","has coordinates","246542","2020-10-21","18:00:00",""
"4517213","11.0969","0.0003","18.3586","0.0005","12.3866","0.0003","90","","94.46","0.002","90","","2515.8","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 F6 O4 P4 Pd -","- C58 H52 F6 O4 P4 Pd -","- C116 H104 F12 O8 P8 Pd2 -","2","0.5","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0386","0.0291","","","0.0637","0.0694","","","","","","1.049","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517214","11.3082","0.0005","17.6113","0.0011","13.8182","0.0006","90","","92.789","0.004","90","","2748.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl2 P2 Pd -","- C29 H30 Cl2 P2 Pd -","- C116 H120 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0541","0.0377","","","0.0735","0.0821","","","","","","1.022","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517215","21.8565","0.0006","14.7082","0.0004","22.7524","0.0006","90","","90","","90","","7314.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl4 P2 Pd -","- C36 H44 Cl4 P2 Pd -","- C288 H352 Cl32 P16 Pd8 -","8","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0713","0.0469","","","0.1043","0.1192","","","","","","1.046","","","","has coordinates,has disorder","246532","2020-10-21","18:00:00",""
"4517216","11.2984","0.0005","20.6157","0.0008","14.14","0.0006","90","","110.081","0.005","90","","3093.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Cl2 P2 Pd -","- C33 H38 Cl2 P2 Pd -","- C132 H152 Cl8 P8 Pd4 -","4","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","x-ray","0.71073","MoKα","","0.0536","0.0352","","","0.074","0.0829","","","","","","1.033","","","","has coordinates","246532","2020-10-21","18:00:00",""
"4517217","5.1932","0.0002","15.4161","0.0006","18.5227","0.0012","72.871","0.005","83.638","0.004","89.832","0.003","1407.71","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","- C63 H56 B8 O16 -","1","0.5","","Michigami, Kenichi; Sakaguchi, Tatsuhiko; Takemoto, Yoshiji","Catalytic Dehydrative Peptide Synthesis with gem-Diboronic Acids","ACS Catalysis","2019","10","1","683","","10.1021/acscatal.9b03894","","x-ray","1.54184","CuKα","","0.107","0.0953","","","0.2701","0.2797","","","","","","1.06","","","","has coordinates,has disorder","246533","2020-10-21","18:00:00",""
"4517218","22.0893","0.0004","9.47947","0.00015","14.2315","0.0003","90","","107.915","0.002","90","","2835.51","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 O4 S Si4 -","- C20 H40 O4 S Si4 -","- C80 H160 O16 S4 Si16 -","4","1","","Zhang, Zhikun; Hu, Xile","Arylsilylation of Electron-Deficient Alkenes via Cooperative Photoredox and Nickel Catalysis","ACS Catalysis","2019","10","1","777","","10.1021/acscatal.9b04916","","x-ray","1.54184","CuKα","","0.0428","0.0414","","","0.1124","0.1139","","","","","","1.047","","","","has coordinates","246530","2020-10-21","18:00:00",""
"4517219","18.0203","0.0018","18.028","0.002","22.855","0.003","90","","90","","90","","7424.9","1.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44.8 Fe2 N8 O17.4 -","- C32 H44.8 Fe2 N8 O17.4 -","- C256 H358.4 Fe16 N64 O139.2 -","8","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0327","0.0301","","","0.0721","0.0734","","","","","","1.095","","","","has coordinates","246535","2020-10-21","18:00:00",""
"4517220","7.3272","0.0005","13.6323","0.001","23.8535","0.0018","90","","90","","90","","2382.6","0.3","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C88 H120 N16 O32 -","4","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0875","0.0778","","","0.1429","0.1468","","","","","","1.274","","","","has coordinates","246535","2020-10-21","18:00:00",""
"4517221","12.1188","0.0008","18.1908","0.0012","14.0536","0.0009","90","","105.176","0.002","90","","2990.1","0.3","126","2","125.68","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Fe2 N10 O31 -","- C44 H58 Fe2 N10 O31 -","- C88 H116 Fe4 N20 O62 -","2","0.5","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","1.54178","CuKα","","0.0424","0.0394","","","0.1039","0.1059","","","","","","1.061","","","","has coordinates,has disorder","246535","2020-10-21","18:00:00",""
"4517222","7.2519","0.0003","16.6879","0.0009","23.0206","0.0009","90","","90","","90","","2785.9","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Fe O P -","- C35 H32 B Fe O P -","- C140 H128 B4 Fe4 O4 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1312","0.0661","","","0.1078","0.1307","","","","","","0.987","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517223","8.0956","0.0002","10.9588","0.0003","28.2204","0.0007","90","","90","","90","","2503.66","0.11","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B Fe O2 P -","- C30 H30 B Fe O2 P -","- C120 H120 B4 Fe4 O8 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0411","0.0334","","","0.0605","0.0632","","","","","","1.048","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517224","8.7032","0.0008","14.3818","0.0017","15.747","0.002","69.995","0.012","86.666","0.01","73.762","0.009","1776.7","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl6 Fe O P Ru -","- C37 H33 Cl6 Fe O P Ru -","- C74 H66 Cl12 Fe2 O2 P2 Ru2 -","2","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1844","0.0754","","","0.0909","0.1183","","","","","","0.995","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517225","10.0321","0.0002","12.8901","0.0003","17.3984","0.0003","90.327","0.002","101.504","0.002","110.961","0.002","2051.46","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H46 Cl4 Fe O2 P Ru -","- C42.5 H46 Cl4 Fe O2 P Ru -","- C85 H92 Cl8 Fe2 O4 P2 Ru2 -","2","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0459","0.0386","","","0.1066","0.1107","","","","","","1.09","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517226","10.8773","0.0002","19.3811","0.0004","52.8787","0.0014","90","","90","","90","","11147.6","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61.01 H55.04 Cl5 Fe2 O4 P2 Ru -","- C61.01 H55.03 Cl5 Fe2 O4 P2 Ru -","- C488.08 H440.24 Cl40 Fe16 O32 P16 Ru8 -","8","2","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0928","0.0779","","","0.1793","0.1892","","","","","","1.082","","","","has coordinates,has disorder","246536","2020-10-21","18:00:00",""
"4517227","10.0282","0.0006","25.0624","0.0016","10.6559","0.0007","90","","94.416","0.002","90","","2670.2","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0383","0.0366","","","0.0929","0.0946","","","","","","1.063","","","","has coordinates,has Fobs","245435","2020-10-21","18:00:00",""
"4517228","28.5547","0.0011","16.6794","0.0006","11.62","0.0004","90","","98.99","0.001","90","","5466.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0426","0.0417","","","0.1078","0.109","","","","","","1.055","","","","has coordinates,has Fobs","245436","2020-10-21","18:00:00",""
"4517229","11.6101","0.0003","16.6814","0.0005","28.2286","0.0008","90","","90","","90","","5467.1","0.3","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C288 H144 O64 P16 -","16","4","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0519","0.0475","","","0.1217","0.1266","","","","","","1.026","","","","has coordinates,has Fobs","245437","2020-10-21","18:00:00",""
"4517230","9.9199","0.0005","11.8932","0.0005","11.895","0.0006","90","","101.879","0.003","90","","1373.31","0.11","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C72 H36 O16 P4 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0447","0.042","","","0.1068","0.1099","","","","","","1.025","","","","has coordinates,has Fobs","245438","2020-10-21","18:00:00",""
"4517231","12.0382","0.0008","7.4286","0.0005","29.694","0.002","90","","90","","90","","2655.4","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","phosphangulene oxide : phosphangulene 0.50:0.50","","- C18 H9 O3.5 P -","- C18 H9 O3.504 P -","- C144 H72 O28.032 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0646","0.0624","","","0.162","0.1636","","","","","","1.152","","","","has coordinates,has Fobs","245439","2020-10-21","18:00:00",""
"4517232","10.1281","0.0008","25.426","0.002","10.6714","0.0008","90","","93.978","0.004","90","","2741.4","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phosphangulene oxyde : phosphangulene sulfide 0.71:0.29","","","- C18 H9 O3.71 P S0.29 -","- C18 H9 O3.7085 P S0.2915 -","- C144 H72 O29.668 P8 S2.332 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0822","0.0746","","","0.165","0.1694","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","245440","2020-10-21","18:00:00",""
"4517233","14.4805","0.0005","16.6226","0.0006","11.7323","0.0004","90","","101.205","0.002","90","","2770.18","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.91:0.09","","","- C18 H9 O3.72 P S0.28 -","- C18 H9 O3.7255 P S0.2745 -","- C144 H72 O29.804 P8 S2.196 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0487","0.0405","","","0.0992","0.1038","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","245441","2020-10-21","18:00:00",""
"4517234","14.5033","0.0005","16.6611","0.0006","11.7398","0.0004","90","","101.117","0.001","90","","2783.58","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.94:0.06","","","- C18 H9 O3.65 P S0.35 -","- C18 H9 O3.6475 P S0.3525 -","- C144 H72 O29.18 P8 S2.82 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0381","0.035","","","0.0855","0.0877","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","245442","2020-10-21","18:00:00",""
"4517235","15.0217","0.0006","13.5252","0.0005","14.4528","0.0005","90","","93.393","0.002","90","","2931.25","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0456","0.032","","","0.0745","0.0811","","","","","","1.056","","","","has coordinates,has Fobs","245443","2020-10-21","18:00:00",""
"4517236","14.1307","0.0008","6.9551","0.0004","29.079","0.002","90","","90.359","0.002","90","","2857.8","0.3","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0647","0.0632","","","0.1756","0.1774","","","","","","1.057","","","","has coordinates,has Fobs","245444","2020-10-21","18:00:00",""
"4517237","12.085","0.0006","7.4412","0.0004","29.722","0.0016","90","","90","","90","","2672.8","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0561","0.0491","","","0.1238","0.131","","","","","","1.088","","","","has coordinates,has Fobs","245445","2020-10-21","18:00:00",""
"4517238","12.0473","0.0004","7.4364","0.0003","29.7151","0.001","90","","90","","90","","2662.13","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.70:0.30","","","- C18 H9 O3.7 P -","- C18 H9 O3.704 P -","- C144 H72 O29.632 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0493","0.0466","","","0.1205","0.1225","","","","","","1.114","","","","has coordinates,has Fobs","245446","2020-10-21","18:00:00",""
"4517239","12.0696","0.0005","7.4375","0.0003","29.7131","0.0012","90","","90","","90","","2667.28","0.19","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.85:0.15","","","- C18 H9 O3.85 P -","- C18 H9 O3.854 P -","- C144 H72 O30.832 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0476","0.0376","","","0.0851","0.0907","","","","","","1.06","","","","has coordinates,has Fobs","245447","2020-10-21","18:00:00",""
"4517240","14.502","0.0004","16.6652","0.0005","11.7455","0.0004","90","","101.037","0.001","90","","2786.13","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phosphangulene oxyde : phosphangulene sulfide 0.63:0.37","","","- C18 H9 O3.63 P S0.37 -","- C18 H9 O3.627 P S0.373 -","- C144 H72 O29.016 P8 S2.984 -","8","2","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.035","0.0339","","","0.0846","0.0856","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","245448","2020-10-21","18:00:00",""
"4517241","14.7446","0.0003","13.0971","0.0003","14.9443","0.0003","90","","90","","90","","2885.92","0.11","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","phosphangulene sulfide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-sulfide","","- C18 H9 O3 P S -","- C18 H9 O3 P S -","- C144 H72 O24 P8 S8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0306","0.0294","","","0.0847","0.0857","","","","","","1.051","","","","has coordinates,has Fobs","245449","2020-10-21","18:00:00",""
"4517242","14.7099","0.0008","21.1833","0.0012","22.3481","0.0011","90","","90","","90","","6963.8","0.6","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C45 H40 N2 O2 -","- C45 H40 N2 O2 -","- C360 H320 N16 O16 -","8","1","","Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian","Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17545","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","245450","2020-10-21","18:00:00",""
"4517243","14.5643","0.0005","21.1248","0.0009","22.2011","0.0007","90","","90","","90","","6830.6","0.4","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H39 N3 O2 -","- C44 H39 N3 O2 -","- C352 H312 N24 O16 -","8","1","","Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian","Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17545","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","245451","2020-10-21","18:00:00",""
"4517244","7.7759","0.0018","11.885","0.003","12.078","0.003","63.389","0.007","79.307","0.007","73.274","0.007","953.7","0.4","","","","","","","","","","","","4","P 1","P 1","1","","","","- C48 H46 N2 O -","- C48 H46 N2 O -","- C48 H46 N2 O -","1","1","","Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian","Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17545","","","","","","0.204","","","","","","","","","","","","","","","has coordinates","245452","2020-10-21","18:00:00",""
"4517245","8.8287","0.0001","11.0571","0.0001","13.3265","0.0001","90","","102.649","0.001","90","","1269.36","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 N O5 -","- C28 H41 N O5 -","- C56 H82 N2 O10 -","2","1","","Li, Hang; Wei, Haochen; Hu, Jinyu; Lacey, Ernest; Sobolev, Alexandre N.; Stubbs, Keith A.; Solomon, Peter S.; Chooi, Yit-Heng","Genomics-driven Discovery of Phytotoxic Cytochalasans involved in the Virulence of the Wheat Pathogen Parastagonospora nodorum.","ACS chemical biology","2019","","","","","10.1021/acschembio.9b00791","","","1.54178","CuKα","","0.0381","0.0378","","","0.099","0.0994","","","","","","1.004","","","","has coordinates","245453","2020-10-21","18:00:00",""
"4517246","15.7484","0.0005","13.2732","0.0004","42.7568","0.0013","90","","98.284","0.002","90","","8844.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene chlorobenzene solvate","","- C162 H23 Cl O6 P2 Se2 -","- C162 H23 Cl O6 P2 Se2 -","- C648 H92 Cl4 O24 P8 Se8 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.2034","0.1393","","","0.333","0.3816","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245505","2020-10-21","18:00:00",""
"4517247","13.0971","0.0004","14.1629","0.0004","13.3737","0.0004","90","","118.41","0.0011","90","","2181.95","0.11","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-selenone C60 fullerene carbon disulfide","","- C79 H9 O3 P S2 Se -","- C79 H9 O3 P S2 Se -","- C158 H18 O6 P2 S4 Se2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0688","0.0648","","","0.1768","0.1824","","","","","","1.081","","","","has coordinates,has Fobs","245506","2020-10-21","18:00:00",""
"4517248","13.0898","0.0008","14.0998","0.0009","13.3595","0.0008","90","","118.467","0.003","90","","2167.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene carbon disulfide","","- C79 H9 O3 P S3 -","- C79 H9 O3 P S3 -","- C158 H18 O6 P2 S6 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0657","0.0563","","","0.1201","0.1286","","","","","","1.134","","","","has coordinates,has Fobs","245507","2020-10-21","18:00:00",""
"4517249","18.3952","0.0009","13.3563","0.0006","39.9166","0.0019","90","","94.304","0.002","90","","9779.5","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sesquikis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene methanol solvate","","","- C349 H58 O25 P6 -","- C349.24 H58 O25 P6 -","- C698.48 H116 O50 P12 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1439","0.128","","","0.3899","0.4139","","","","","","1.932","","","","has coordinates,has disorder","245508","2020-10-21","18:00:00",""
"4517250","10.0466","0.0003","22.0937","0.0006","13.3309","0.0004","90","","96.709","0.001","90","","2938.75","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene toluene solvate","","- C103 H26 O8 P2 -","- C103 H26 O8 P2 -","- C206 H52 O16 P4 -","2","0.5","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0718","0.0657","","","0.1638","0.1703","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","245509","2020-10-21","18:00:00",""
"4517251","10.0298","0.0004","22.4623","0.0008","10.197","0.0004","90","","96.888","0.002","90","","2280.73","0.15","105","","105","","","","","","","","","5","P 1 n 1","P -2yac","7","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one C60 fullerene chlorobenzene solvate","","- C84 H14 Cl O4 P -","- C84 H14 Cl O4 P -","- C168 H28 Cl2 O8 P2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1105","0.0785","","","0.1937","0.2189","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","245510","2020-10-21","18:00:00",""
"4517252","27.1567","0.0014","13.6785","0.0007","27.0976","0.0013","90","","119.191","0.0019","90","","8787.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene 1,2-xylene solvate","","- C138 H57 O12 P3 -","- C138 H57 O12 P3 -","- C552 H228 O48 P12 -","4","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1291","0.1029","","","0.2865","0.3189","","","","","","1.069","","","","has coordinates,has disorder","245511","2020-10-21","18:00:00",""
"4517253","13.0855","0.0006","13.4725","0.0007","15.6662","0.0007","76.899","0.003","87.109","0.003","61.864","0.002","2367","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyrene-12c-thione C60 fullerene 1,3-xylene solvate","","- C86 H19 O3 P S -","- C86 H19 O3 P S -","- C172 H38 O6 P2 S2 -","2","1","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.0951","0.0653","","","0.1272","0.1415","","","","","","1.08","","","","has coordinates,has Fobs","245512","2020-10-21","18:00:00",""
"4517254","13.2521","0.0015","14.4547","0.0015","25.261","0.003","90","","90.153","0.006","90","","4838.9","0.9","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","12cH-4,8,12-trioxa-12Λ5-phosphadibenzo[cd,mn]pyrene-12c-thione C70 fullerene carbon disulfide","","- C89 H9 O3 P S3 -","- C89 H9 O3 P S3 -","- C356 H36 O12 P4 S12 -","4","2","","Alice Heskia; Thierry Maris; James D. Wuest","Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides","Crystal growth and Design","2019","19","","5418","","10.1021/acs.cgd.9b00954","","x-ray","1.34139","GaKα","","0.1001","0.0926","","","0.2402","0.247","","","","","","1.068","","","","has coordinates,has Fobs","245513","2020-10-21","18:00:00",""
"4517255","8.3259","0.0002","9.6536","0.0002","10.0614","0.0002","109.144","0.001","95.857","0.001","106.722","0.001","714.21","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) monohydrate","6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) monohydrate","","- C12 H14 N10 O -","- C12 H14 N10 O -","- C24 H28 N20 O2 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0443","0.0387","","","0.0968","0.1019","","","","","","1.078","","","","has coordinates,has Fobs","245514","2020-10-21","18:00:00",""
"4517256","19.3777","0.0007","9.5631","0.0003","18.9111","0.0007","90","","90","","90","","3504.4","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C13 H17 N11 O S -","- C13 H17 N11 O S -","- C104 H136 N88 O8 S8 -","8","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0303","0.03","","","0.0796","0.08","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","245515","2020-10-21","18:00:00",""
"4517257","8.6367","0.0003","15.6587","0.0005","19.3519","0.0007","80.649","0.001","83.362","0.001","74.699","0.001","2483.54","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C16 H28 N12 O3 S3 -","- C16 H28 N12 O3 S3 -","- C64 H112 N48 O12 S12 -","4","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0409","0.0402","","","0.1089","0.1098","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","245516","2020-10-21","18:00:00",""
"4517258","16.8304","0.0006","14.237","0.0005","18.0925","0.0007","90","","90","","90","","4335.2","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C14 H22 N12 O2 S2 -","- C14 H22 N12 O2 S2 -","- C112 H176 N96 O16 S16 -","8","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0433","0.043","","","0.1192","0.1196","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245517","2020-10-21","18:00:00",""
"4517259","7.9895","0.0002","11.89","0.0004","12.153","0.0004","98.304","0.001","92.058","0.001","108.035","0.001","1082.25","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) monohydrate","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) monohydrate","","- C16 H16 F6 N10 O5 -","- C16 H16 F6 N10 O5 -","- C32 H32 F12 N20 O10 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0561","0.0424","","","0.1009","0.11","","","","","","1.04","","","","has coordinates,has Fobs","245518","2020-10-21","18:00:00",""
"4517260","8.8984","0.0004","17.106","0.0007","10.7576","0.0004","90","","91.727","0.002","90","","1636.74","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) methanol solvate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) methanol solvate","","- C13 H19 N11 O2 -","- C13 H19 N11 O2 -","- C52 H76 N44 O8 -","4","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.34139","GaKα","","0.0484","0.0462","","","0.122","0.1247","","","","","","1.045","","","","has coordinates,has Fobs","245519","2020-10-21","18:00:00",""
"4517261","15.5811","0.0003","9.7851","0.0002","30.4229","0.0005","90","","90","","90","","4638.36","0.15","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","6,6'-(pyridine-2,6-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate hemihydrate","","- C32 H54 N22 O6 S5 -","- C32 H54 N22 O6 S5 -","- C128 H216 N88 O24 S20 -","4","0.5","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0604","0.0595","","","0.1524","0.153","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","245520","2020-10-21","18:00:00",""
"4517262","4.8558","0.0002","13.2314","0.0005","17.8274","0.0006","78.822","0.002","85.849","0.001","82.793","0.002","1113.43","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) dihydrate","2,4-diamino-6-[4-(4,6-diamino-1,3,5-triazin-5-ium-2-yl)pyridin-2-yl] -1,3,5-triazin-1-ium bis(trifluoroacetate) dihydrate","","- C15 H17 F6 N11 O6 -","- C15 H17 F6 N11 O6 -","- C30 H34 F12 N22 O12 -","2","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0445","0.0415","","","0.1155","0.1194","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","245521","2020-10-21","18:00:00",""
"4517263","15.485","0.003","20.386","0.004","12.655","0.002","90","","101.146","0.005","90","","3919.5","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cu2 N10 O13 -","- C36 H31 Cu2 N10 O13 -","- C144 H124 Cu8 N40 O52 -","4","1","","Jana, Srikanta; Ray, Apurba; Chandra, Angeera; El Fallah, M. Salah; Das, Sachindranath; Sinha, Chittaranjan","Studies on Magnetic and Dielectric Properties of Antiferromagnetically Coupled Dinuclear Cu(II) in a One-Dimensional Cu(II) Coordination Polymer","ACS Omega","2019","","","","","10.1021/acsomega.9b02650","","","0.71073","MoKα","","0.0563","0.0451","","","0.1265","0.1445","","","","","","1.1","","","","has coordinates","245523","2020-10-21","18:00:00",""
"4517264","28.645","0.006","9.1579","0.0018","22.276","0.005","90","","126.87","0.03","90","","4675","3","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes","ACS Catalysis","2019","","","933","","10.1021/acscatal.9b04285","","","0.71073","MoKα","","0.0806","0.0601","","","0.1472","0.1631","","","","","","1.068","","","","has coordinates","246013","2020-10-21","18:00:00",""
"4517265","7.5427","0.0003","6.6034","0.0004","39.366","0.003","90","","94.005","0.005","90","","1955.9","0.2","128.15","","128.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C96 H84 Br4 N8 O4 -","4","1","","Bai, Zibo; Bai, Ziqian; Song, Fangfang; Wang, Hao; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Hydrocarbofunctionalization of 3-Alkenamides with Alkynes","ACS Catalysis","2019","","","933","","10.1021/acscatal.9b04285","","x-ray","0.71073","MoKα","","0.1108","0.0898","","","0.1595","0.1658","","","","","","1.273","","","","has coordinates","246014","2020-10-21","18:00:00",""
"4517266","19.2977","0.0004","19.2977","0.0004","10.0366","0.0008","90","","90","","90","","3737.6","0.3","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H46 N6 Nd2 O23 -","- C24 H46 N6 Nd2 O23 -","- C96 H184 N24 Nd8 O92 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.0689","0.0489","","","0.1061","0.1169","","","","","","1.039","","","","has coordinates","246254","2020-10-21","18:00:00",""
"4517267","19.3748","0.0003","19.3748","0.0003","9.9515","0.0005","90","","90","","90","","3735.6","0.2","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H38 N6 O23 Pr2 -","- C24 H38 N6 O23 Pr2 -","- C96 H152 N24 O92 Pr8 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.088","0.0625","","","0.1205","0.1294","","","","","","1.23","","","","has coordinates,has disorder","246255","2020-10-21","18:00:00",""
"4517268","19.4984","0.0003","19.4984","0.0003","9.9326","0.0005","90","","90","","90","","3776.3","0.2","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H40 La2 N6 O23 -","- C24 H40 La2 N7.176 O23 -","- C96 H160 La8 N28.704 O92 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.062","0.0445","","","0.0886","0.0969","","","","","","0.956","","","","has coordinates,has disorder","246256","2020-10-21","18:00:00",""
"4517269","19.4161","0.0002","19.4161","0.0002","9.9444","0.0004","90","","90","","90","","3748.89","0.16","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H46 Ce2 N6 O23 -","- C24 H46 Ce2 N6 O23 -","- C96 H184 Ce8 N24 O92 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.0776","0.0564","","","0.102","0.1102","","","","","","1.175","","","","has coordinates,has disorder","246257","2020-10-21","18:00:00",""
"4517270","19.5153","0.0007","19.5153","0.0007","9.8489","0.001","90","","90","","90","","3750.9","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 H40 La2 N6 O22.5 -","- C22 H40 La2 N6 O22.5 -","- C88 H160 La8 N24 O90 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.1316","0.052","","","0.0861","0.0993","","","","","","0.97","","","","has coordinates","246258","2020-10-21","18:00:00",""
"4517271","11.8057","0.0003","15.6134","0.0003","15.6605","0.0004","116.403","0.002","99.017","0.002","106.38","0.002","2343.1","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C49 H85 Cl O2.5 P2 Pd -","- C49 H85 Cl O2.5 P2 Pd -","- C98 H170 Cl2 O5 P4 Pd2 -","2","1","","Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H.","Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3","ACS Catalysis","2019","","","999","","10.1021/acscatal.9b04666","","x-ray","1.54184","CuKα","","0.0301","0.0273","","","0.0686","0.0707","","","","","","1.032","","","","has coordinates,has disorder","246259","2020-10-21","18:00:00",""
"4517272","11.3247","0.0006","12.9036","0.0007","15.526","0.0009","86.814","0.004","87.399","0.004","68.191","0.005","2102.4","0.2","99.9","0.14","99.9","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C43 H76 Cl N P2 Pd -","- C43 H76 Cl N P2 Pd -","- C86 H152 Cl2 N2 P4 Pd2 -","2","1","","Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H.","Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3","ACS Catalysis","2019","","","999","","10.1021/acscatal.9b04666","","x-ray","1.54184","CuKα","","0.0341","0.0283","","","0.0712","0.0748","","","","","","1.034","","","","has coordinates","246260","2020-10-21","18:00:00",""
"4517273","11.6891","0.0003","12.0707","0.0005","23.6505","0.0005","80.935","0.002","76.32","0.002","70.62","0.003","3047.2","0.17","100.4","0.6","100.4","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C64 H116 P4 Pd -","- C64 H116 P4 Pd -","- C128 H232 P8 Pd2 -","2","1","","Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H.","Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3","ACS Catalysis","2019","","","999","","10.1021/acscatal.9b04666","","x-ray","1.54184","CuKα","","0.0444","0.0323","","","0.076","0.0835","","","","","","1.023","","","","has coordinates","246261","2020-10-21","18:00:00",""
"4517274","6.7438","0.0015","15.597","0.003","19.696","0.004","68.339","0.006","81.912","0.006","81.492","0.006","1895.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CrtbudhbpyClH2O","","","- C40 H51 Cl Cr N3 O3 -","- C40 H51 Cl Cr N3 O3 -","- C80 H102 Cl2 Cr2 N6 O6 -","2","1","","Hooe, Shelby L.; Dressel, Julia M.; Dickie, Diane A.; Machan, Charles W.","Highly Efficient Electrocatalytic Reduction of CO2 to CO by a Molecular Chromium Complex","ACS Catalysis","2019","","","1146","","10.1021/acscatal.9b04687","","","0.71073","MoKα","","0.1277","0.0561","","","0.1112","0.1366","","","","","","1.006","","","","has coordinates","246262","2020-10-21","18:00:00",""
"4517275","13.6753","0.0018","9.5139","0.0012","26.448","0.004","90","","97.271","0.004","90","","3413.4","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Br2 N4 O3 -","- C36 H34 Br2 N4 O3 -","- C144 H136 Br8 N16 O12 -","4","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.2351","0.0675","","","0.1484","0.2194","","","","","","0.989","","","","has coordinates,has disorder","246263","2020-10-21","18:00:00",""
"4517276","13.513","0.002","9.3806","0.0017","25.521","0.005","90","","94.479","0.006","90","","3225.2","1","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl2 N4 O3 -","- C36 H36 Cl2 N4 O3 -","- C144 H144 Cl8 N16 O12 -","4","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.2103","0.1957","","","0.4969","0.5038","","","","","","1.08","","","","has coordinates","246264","2020-10-21","18:00:00",""
"4517277","9.5793","0.001","12.2135","0.0012","13.5543","0.0014","92.238","0.003","107.023","0.003","96.087","0.003","1503.7","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 Cl2 N4 O3 -","- C33 H29 Cl2 N4 O3 -","- C66 H58 Cl4 N8 O6 -","2","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.097","0.0767","","","0.2212","0.244","","","","","","1.053","","","","has coordinates,has disorder","246265","2020-10-21","18:00:00",""
"4517278","9.56","0.0016","12.335","0.002","13.635","0.002","92.659","0.004","106.547","0.004","95.976","0.004","1528","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Br2 N4 O3 -","- C33 H30 Br2 N4 O3 -","- C66 H60 Br4 N8 O6 -","2","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.1127","0.0678","","","0.1662","0.1915","","","","","","1.04","","","","has coordinates,has disorder","246266","2020-10-21","18:00:00",""
"4517279","6.5821","0.0014","10.142","0.002","10.29","0.002","63.671","0.005","84.888","0.006","87.848","0.006","613.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha","One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02489","","x-ray","0.71073","MoKα","","0.078","0.05","","","0.1214","0.137","","","","","","1.0734","","","","has coordinates","246297","2020-10-21","18:00:00",""
"4517280","21.3923","0.0015","7.6312","0.0006","18.8511","0.0014","90","","102.79","0.002","90","","3001.1","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C144 H112 O48 -","8","2","","Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha","One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02489","","x-ray","0.71073","MoKα","","0.0999","0.046","","","0.0934","0.1287","","","","","","1.104","","","","has coordinates","246298","2020-10-21","18:00:00",""
"4517281","7.8899","0.0005","8.5877","0.0005","9.7421","0.0006","99.496","0.002","105.841","0.002","90.879","0.002","625.05","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha","One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02489","","x-ray","0.71073","MoKα","","0.0419","0.0361","","","0.0928","0.0986","","","","","","1.055","","","","has coordinates","246299","2020-10-21","18:00:00",""
"4517282","6.8145","0.0004","6.9404","0.0004","27.8047","0.0018","90.453","0.003","91.895","0.003","103.098","0.003","1279.96","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C60 H40 N16 -","4","2","","Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen","Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication","ACS Omega","2019","","","","","10.1021/acsomega.9b02962","","","0.71073","MoKα","","0.1858","0.0987","","","0.2353","0.2861","","","","","","1.064","","","","has coordinates","246308","2020-10-21","18:00:00",""
"4517283","7.165","0.002","43.924","0.009","8.416","0.002","90","","106.87","0.03","90","","2534.7","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","2","","Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen","Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication","ACS Omega","2019","","","","","10.1021/acsomega.9b02962","","","0.71073","MoKα","","0.2067","0.1056","","","0.1409","0.1692","","","","","","1.116","","","","has coordinates","246309","2020-10-21","18:00:00",""
"4517284","13.9823","0.0004","22.3768","0.0006","19.3193","0.0005","90","","103.105","0.001","90","","5887.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C200 H78 N4 O8 -","- C200 H78 N4 O8 -","- C400 H156 N8 O16 -","2","0.5","","Wakahara, Takatsugu; Nagaoka, Kahori; Nakagawa, Akari; Hirata, Chika; Matsushita, Yoshitaka; Miyazawa, Kun'ichi; Ito, Osamu; Wada, Yoshiki; Takagi, Makito; Ishimoto, Takayoshi; Tachikawa, Masanori; Tsukagoshi, Kazuhito","One-dimensional Fullerene/Porphyrin Cocrystals: Near-infrared Light Sensing Through Component Interactions.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b18784","","","0.71073","MoKα","","0.2275","0.1979","","","0.5325","0.5692","","","","","","2.713","","","","has coordinates,has disorder","246323","2020-10-21","18:00:00",""
"4517285","11.2351","0.001","5.6546","0.0005","11.98","0.001","90","","96.909","0.005","90","","755.56","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0481","0.0398","","","0.0927","0.0966","","","","","","1.087","","","","has coordinates","246324","2020-10-21","18:00:00",""
"4517286","13.5174","0.0007","6.0844","0.0004","24.6942","0.0013","90","","92.239","0.004","90","","2029.4","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O -","- C25 H31 N O -","- C100 H124 N4 O4 -","4","2","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0528","0.0424","","","0.0932","0.1007","","","","","","1.038","","","","has coordinates","246325","2020-10-21","18:00:00",""
"4517287","9.9772","0.0006","10.027","0.0007","21.2241","0.0013","90","","90","","90","","2123.3","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O -","- C25 H31 N O -","- C100 H124 N4 O4 -","4","1","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0777","0.0734","","","0.1773","0.1799","","","","","","1.084","","","","has coordinates,has disorder","246326","2020-10-21","18:00:00",""
"4517288","9.8494","0.0009","10.0898","0.0009","17.7292","0.0017","86.873","0.003","75.394","0.003","70.241","0.002","1603.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Cu F6 N6 O9 P -","- C24 H32 Cu F6 N6 O9 P -","- C48 H64 Cu2 F12 N12 O18 P2 -","2","1","","Mandal, Tripti; Dey, Arka; Seth, Saikat Kumar; Ortega-Castro, Joaquín; Rheingold, Arnold L.; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02971","","x-ray","0.71073","MoKα","K-L~3~","0.0774","0.0597","","","0.1503","0.1614","","","","","","1.048","","","","has coordinates","246328","2020-10-21","18:00:00",""
"4517289","9.7997","0.0009","10.2097","0.0011","17.6484","0.0015","92.439","0.003","98.427","0.002","108.372","0.003","1650.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H28 Cu F12 N12 O8 P2 -","- C22 H28 Cu F12 N12 O8 P2 -","- C44 H56 Cu2 F24 N24 O16 P4 -","2","1","","Mandal, Tripti; Dey, Arka; Seth, Saikat Kumar; Ortega-Castro, Joaquín; Rheingold, Arnold L.; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02971","","x-ray","0.71073","MoKα","K-L~3~","0.0459","0.0335","","","0.0786","0.0842","","","","","","1.035","","","","has coordinates","246329","2020-10-21","18:00:00",""
"4517290","20.8786","0.0014","10.1453","0.0006","32.4284","0.0019","90","","105.291","0.007","90","","6625.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 B2 Cl9 N O2 -","- C67 H74 B2 Cl9 N O2 -","- C268 H296 B8 Cl36 N4 O8 -","4","1","","Agou, Tomohiro; Matsuo, Kyohei; Kawano, Rei; Park, In Seob; Hosoya, Takaaki; Fukumoto, Hiroki; Kubota, Toshio; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Yasuda, Takuma","Pentacyclic Ladder-Heteraborin Emitters Exhibiting High-Efficiency Blue Thermally Activated Delayed Fluorescence with an Ultrashort Emission Lifetime","ACS Materials Letters","2019","","","28","","10.1021/acsmaterialslett.9b00433","","","0.71073","MoKα","","0.1264","0.0729","","","0.1804","0.2251","","","","","","1.029","","","","has coordinates","246330","2020-10-21","18:00:00",""
"4517291","46.4273","0.0018","22.7246","0.0013","10.8682","0.0005","90","","103.413","0.004","90","","11153.6","0.9","103","3","103","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H71 B2 N S2 -","- C64 H71 B2 N S2 -","- C512 H568 B16 N8 S16 -","8","1","","Agou, Tomohiro; Matsuo, Kyohei; Kawano, Rei; Park, In Seob; Hosoya, Takaaki; Fukumoto, Hiroki; Kubota, Toshio; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Yasuda, Takuma","Pentacyclic Ladder-Heteraborin Emitters Exhibiting High-Efficiency Blue Thermally Activated Delayed Fluorescence with an Ultrashort Emission Lifetime","ACS Materials Letters","2019","","","28","","10.1021/acsmaterialslett.9b00433","","","0.71073","MoKα","","0.1279","0.0687","","","0.1296","0.154","","","","","","1.031","","","","has coordinates,has disorder","246331","2020-10-21","18:00:00",""
"4517298","34.4562","0.0007","34.4562","0.0007","38.796","0.0005","90","","90","","120","","39888.9","1.3","296","2","296.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C126 H60 N6 O55 Zn14 -","- C126 H60 N6 O55 Zn14 -","- C1134 H540 N54 O495 Zn126 -","9","0.25","","Wu, Yun-Long; Yang, Guo-Ping; Cheng, Shan; Qian, Jinjie; Fan, Daidi; Wang, Yao-Yu","Facile Incorporation of Au Nanoparticles into an Unusual Twofold Entangled Zn(II)-MOF with Nanocages for Highly Efficient CO<sub>2</sub> Fixation under Mild Conditions.","ACS applied materials & interfaces","2019","11","50","47437","47445","10.1021/acsami.9b17348","","","0.71073","MoKα","","0.1321","0.0986","","","0.3135","0.3435","","","","","","1.301","","","","has coordinates,has disorder","246474","2020-10-21","18:00:00",""
"4517299","20.2634","0.0002","8.05923","0.0001","15.99977","0.00018","90","","99.033","0.0006","90","","2580.48","0.05","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 Cl2 N4 -","- C15 H8 Cl2 N4 -","- C120 H64 Cl16 N32 -","8","1","","Gao, Weichen; Su, Yan; Wang, Zhonghao; Zhang, Yongfeng; Zhang, Dan; Jia, Peng; Yang, Chaolong; Li, Youbing; Ganguly, Rakesh; Zhao, Yanli","Effect of Carbazolyl Groups on Photophysical Properties of Cyanuric Chloride.","ACS applied materials & interfaces","2019","11","50","47162","47169","10.1021/acsami.9b17554","","","1.54178","CuKα","","0.0379","0.0362","","","0.0966","0.098","","","","","","1.063","","","","has coordinates","246475","2020-10-21","18:00:00",""
"4517300","22.4205","0.0004","3.8584","0.00007","46.0494","0.0008","90","","90","","90","","3983.61","0.12","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H16 Cl N5 -","- C27 H16 Cl N5 -","- C216 H128 Cl8 N40 -","8","2","","Gao, Weichen; Su, Yan; Wang, Zhonghao; Zhang, Yongfeng; Zhang, Dan; Jia, Peng; Yang, Chaolong; Li, Youbing; Ganguly, Rakesh; Zhao, Yanli","Effect of Carbazolyl Groups on Photophysical Properties of Cyanuric Chloride.","ACS applied materials & interfaces","2019","11","50","47162","47169","10.1021/acsami.9b17554","","","1.54178","CuKα","","0.0604","0.0594","","","0.1512","0.152","","","","","","1.094","","","","has coordinates","246477","2020-10-21","18:00:00",""
"4517317","27.45","0.0004","27.45","0.0004","73.194","0.002","90","","90","","120","","47762.9","1.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H22 Cl0 Fe3 N0 O16 -","- C42 H22 Fe3 O16 -","- C756 H396 Fe54 O288 -","18","0.5","","Xue, Yingying; Zhang, Jian-Wei; Li, Yongpeng; Li, Haipeng; Wang, Ying; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quanguo","The mimic of ferroalloy to develop a bifunctional Fe-organic framework platform for enhanced gas sorption and efficient oxygen evolution electrocatalysis.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b17492","","","1.54178","CuKα","","0.0689","0.0597","","","0.1638","0.1683","","","","","","1.02","","","","has coordinates","246969","2020-10-21","18:00:00",""
"7047115","9.0862","0.0005","13.8263","0.0008","16.6951","0.001","90","","103.385","0.003","90","","2040.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl N O Ru -","- C22 H28 Cl N O Ru -","- C88 H112 Cl4 N4 O4 Ru4 -","4","1","","Yao, Zi-Jian; Zhu, Jing-Wei; Lin, Nan; Qiao, Xin-Chao; Deng, Wei","Catalytic hydrogenation of carbonyl and nitro compounds using an [N,O]-chelate half-sandwich ruthenium catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7158","7166","10.1039/c8dt02677g","","","1.34138","GaKα","","0.0443","0.0363","","","0.087","0.0922","","","","","","1.04","","","","has coordinates","224446","2020-10-21","18:00:00",""
"7047116","9.1752","0.0004","13.9311","0.0007","16.7961","0.0008","90","","101.993","0.002","90","","2100.03","0.17","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl F3 N O Ru -","- C22 H25 Cl F3 N O Ru -","- C88 H100 Cl4 F12 N4 O4 Ru4 -","4","1","","Yao, Zi-Jian; Zhu, Jing-Wei; Lin, Nan; Qiao, Xin-Chao; Deng, Wei","Catalytic hydrogenation of carbonyl and nitro compounds using an [N,O]-chelate half-sandwich ruthenium catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7158","7166","10.1039/c8dt02677g","","","1.34138","GaKα","","0.0687","0.0438","","","0.0988","0.11","","","","","","0.997","","","","has coordinates,has disorder","224446","2020-10-21","18:00:00",""
"7047503","10.532","0.003","11.125","0.003","17.118","0.004","90","","102.943","0.004","90","","1954.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Bi O5 Pt S5 -","- C10 H15 Bi O5 Pt S5 -","- C40 H60 Bi4 O20 Pt4 S20 -","4","1","","Yoshida, Takefumi; Izuogu, David C.; Zhang, Hai-Tao; Cosquer, Goulven; Abe, Hitoshi; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Yamashita, Masahiro","Ln-Pt electron polarization effects on the magnetic relaxation of heterometallic Ho- and Er-Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7144","7149","10.1039/c8dt03338b","","","0.71073","MoKα","","0.0585","0.0413","","","0.0956","0.1013","","","","","","0.958","","","","has coordinates","224454","2020-10-21","18:00:00",""
"7047504","8.4429","0.0005","11.7813","0.0007","12.7014","0.0007","83.155","0.001","73.837","0.002","76.145","0.001","1176.27","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Ho2 O14 Pt3 S12 -","- C24 H40 Ho2 O14 Pt3 S12 -","- C24 H40 Ho2 O14 Pt3 S12 -","1","0.5","","Yoshida, Takefumi; Izuogu, David C.; Zhang, Hai-Tao; Cosquer, Goulven; Abe, Hitoshi; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Yamashita, Masahiro","Ln-Pt electron polarization effects on the magnetic relaxation of heterometallic Ho- and Er-Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7144","7149","10.1039/c8dt03338b","","","0.71073","MoKα","","0.0433","0.0337","","","0.0746","0.0786","","","","","","1.037","","","","has coordinates","224454","2020-10-21","18:00:00",""
"7047712","17.795","0.0017","13.851","0.0008","11.484","0.0014","90","","104.985","0.015","90","","2734.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19.9 Cl2 N3 O2.45 Ru S3 -","- C16 H19.9 Cl2.01 N3 O2.45 Ru S3 -","- C64 H79.6 Cl8.04 N12 O9.8 Ru4 S12 -","4","1","","Battistin, Federica; Siegmund, Daniel; Balducci, Gabriele; Alessio, Enzo; Metzler-Nolte, Nils","Ru(ii)-Peptide bioconjugates with the cppH linker (cppH = 2-(2'-pyridyl)pyrimidine-4-carboxylic acid): synthesis, structural characterization, and different stereochemical features between organic and aqueous solvents.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","400","414","10.1039/c8dt03575j","","","0.7","synchrotron","","0.0571","0.0569","","","0.1828","0.183","","","","","","1.067","","","","has coordinates,has disorder","224129","2020-10-21","18:00:00",""
"7047729","10.1175","0.0002","10.6294","0.0003","12.5269","0.0004","69.693","0.003","75.801","0.002","82.165","0.002","1222.91","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Co1.5 N2 O11 -","- C21 H25 Co1.5 N2 O11 -","- C42 H50 Co3 N4 O22 -","2","1","","Wang, Yaqin; Xu, Xinxin; Liu, Luyao; Chen, Jin; Shi, Guimei","A coordination polymer-derived Co<sub>3</sub>O<sub>4</sub>/Co-N@NMC composite material as a Zn-air battery cathode electrocatalyst and microwave absorber.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7150","7157","10.1039/c8dt03792b","","","0.71073","MoKα","","0.0529","0.0428","","","0.1403","0.1512","","","","","","1.083","","","","has coordinates","224460","2020-10-21","18:00:00",""
"7047771","9.096","0.004","13.463","0.007","20.685","0.01","90","","97.556","0.01","90","","2511","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 Dy N3 O7 S -","- C29 H18 Dy N3 O7 S -","- C116 H72 Dy4 N12 O28 S4 -","4","1","","Bai, Chao; Li, Chuan-Ti; Hu, Huai-Ming; Liu, Bin; Li, Jin-Dian; Xue, Ganglin","Dy(iii) zig-zag chains assembled in a 3D framework with single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","814","817","10.1039/c8dt03617a","","","0.71073","MoKα","","0.136","0.0657","","","0.1142","0.1422","","","","","","0.959","","","","has coordinates","224580","2020-10-21","18:00:00",""
"7047777","11.0681","0.0004","30.9567","0.001","11.5924","0.0004","90","","115.726","0.001","90","","3578.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","HK1","","","- C29 H20 Cl5 Mn2 N5 O10 -","- C29 H20 Cl5 Mn2 N5 O10 -","- C116 H80 Cl20 Mn8 N20 O40 -","4","1","","Kuo, Hsin-Ya; Lee, Tia S.; Chu, An T.; Tignor, Steven E.; Scholes, Gregory D.; Bocarsly, Andrew B.","A cyanide-bridged di-manganese carbonyl complex that photochemically reduces CO<sub>2</sub> to CO.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1226","1236","10.1039/c8dt03358g","","","0.71073","MoKα","","0.0498","0.0389","","","0.0864","0.0898","","","","","","1.123","","","","has coordinates,has disorder","224088","2020-10-21","18:00:00",""
"7047832","9.8127","0.0006","19.3312","0.0011","25.2227","0.0015","84.454","0.002","83.079","0.002","81.716","0.002","4684.8","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H144 Cl12 N4 O12 Re3 Zn -","- C70 H144 Cl12 N4 O12 Re3 Zn -","- C140 H288 Cl24 N8 O24 Re6 Zn2 -","2","1","","Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Moliner, Nicolás; Martínez-Lillo, José","Field-induced slow relaxation of magnetisation in an anionic heterotetranuclear [Zn<sup>II</sup>Re] system.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","370","373","10.1039/c8dt03728k","","","0.71073","MoKα","","0.0232","0.0195","","","0.0478","0.0497","","","","","","0.992","","","","has coordinates","224126","2020-10-21","18:00:00",""
"7047942","16.794","0.003","17.209","0.003","14.623","0.003","90","","90","","90","","4226.2","1.4","150","2","150","2","","","","","","","","7","I b a 2","I 2 -2c","45","[Zn(NNN)Cl](PF6)","Chloro-tri(2-pyridylmethyl)aminezinc(II) hexafluorophosphate","","- C18 H18 Cl F6 N4 P Zn -","- C18 H18 Cl F6 N4 P Zn -","- C144 H144 Cl8 F48 N32 P8 Zn8 -","8","1","","de Arruda, Eduardo Guimarães Ratier; Rocha, Bruno Alves; Barrionuevo, Manoel Victor Frutuoso; Aðalsteinsson, Heiðar Már; Galdino, Flávia Elisa; Loh, Watson; Lima, Frederico Alves; Abbehausen, Camilla","The influence of Zn<sup>II</sup> coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2900","2916","10.1039/c8dt03905d","","","0.71073","MoKα","","0.0513","0.0346","","","0.0704","0.0772","","","","","","1.022","","","","has coordinates,has disorder","224331","2020-10-21","18:00:00",""
"7047955","9.5596","0.0003","32.7266","0.0013","16.3335","0.0005","90","","94.033","0.003","90","","5097.3","0.3","106.5","0.6","106.5","0.6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H73 Cl5 Ga O2 P5 Ru2 -","- C42 H73 Cl5 Ga O2 P5 Ru2 -","- C168 H292 Cl20 Ga4 O8 P20 Ru8 -","4","1","","Bispinghoff, Mark; Benkő, Zoltán; Grützmacher, Hansjörg; Calvo, Fuencisla Delgado; Caporali, Maria; Peruzzini, Maurizio","Ruthenium mediated halogenation of white phosphorus: synthesis and reactivity of the unprecedented P<sub>4</sub>Cl<sub>2</sub> moiety.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3593","3600","10.1039/c8dt01840e","","x-ray","0.71073","MoKα","","0.0974","0.0519","","","0.09","0.1054","","","","","","0.991","","","","has coordinates","224541","2020-10-21","18:00:00",""
"7047956","11.9212","0.0003","12.4576","0.0003","13.0288","0.0003","112.29","0.002","107.073","0.002","90.803","0.002","1694.14","0.08","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H112 O2 P8 Ru4 -","- C64 H112 O2 P8 Ru4 -","- C64 H112 O2 P8 Ru4 -","1","0.5","","Bispinghoff, Mark; Benkő, Zoltán; Grützmacher, Hansjörg; Calvo, Fuencisla Delgado; Caporali, Maria; Peruzzini, Maurizio","Ruthenium mediated halogenation of white phosphorus: synthesis and reactivity of the unprecedented P<sub>4</sub>Cl<sub>2</sub> moiety.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3593","3600","10.1039/c8dt01840e","","x-ray","0.71073","MoKα","","0.0465","0.0339","","","0.0719","0.0766","","","","","","1.035","","","","has coordinates","224541","2020-10-21","18:00:00",""
"7047957","22.85","0.0005","22.85","0.0005","8.9379","0.0003","90","","90","","90","","4666.7","0.2","105","1","105","1","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C20 H30 P4 Ru2 -","- C20 H30 P4 Ru2 -","- C160 H240 P32 Ru16 -","8","1","","Bispinghoff, Mark; Benkő, Zoltán; Grützmacher, Hansjörg; Calvo, Fuencisla Delgado; Caporali, Maria; Peruzzini, Maurizio","Ruthenium mediated halogenation of white phosphorus: synthesis and reactivity of the unprecedented P<sub>4</sub>Cl<sub>2</sub> moiety.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3593","3600","10.1039/c8dt01840e","","x-ray","0.71073","MoKα","","0.0474","0.0354","","","0.0599","0.064","","","","","","1.031","","","","has coordinates","224541","2020-10-21","18:00:00",""
"7047958","12.7474","0.0002","13.3991","0.0002","14.5781","0.0003","70.659","0.001","79.095","0.001","88.933","0.001","2304.44","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42.03 H73.04 Cl2 O2 P5 Ru2 -","- C42.03 H73.045 Cl2 O2 P5 Ru2 -","- C84.06 H146.09 Cl4 O4 P10 Ru4 -","2","1","","Bispinghoff, Mark; Benkő, Zoltán; Grützmacher, Hansjörg; Calvo, Fuencisla Delgado; Caporali, Maria; Peruzzini, Maurizio","Ruthenium mediated halogenation of white phosphorus: synthesis and reactivity of the unprecedented P<sub>4</sub>Cl<sub>2</sub> moiety.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3593","3600","10.1039/c8dt01840e","","","0.71073","MoKα","","0.0258","0.0226","","","0.0561","0.0587","","","","","","1.049","","","","has coordinates,has disorder","224541","2020-10-21","18:00:00",""
"7048002","10.4874","0.0004","10.8569","0.0004","14.6279","0.0005","70.005","0.0004","85.1598","0.0005","87.5815","0.0005","1559.41","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 N2 Ni O P -","- C31 H49 N2 Ni O P -","- C62 H98 N4 Ni2 O2 P2 -","2","1","","Macaulay, Casper M.; Ogawa, Takahiko; McDonald, Robert; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","A comparative analysis of hydrosilative amide reduction catalyzed by first-row transition metal (Mn, Fe, Co, and Ni) N-phosphinoamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9581","9587","10.1039/c8dt04221g","","","0.71073","MoKα","","0.0368","0.0327","","","0.087","0.0897","","","","","","1.059","","","","has coordinates","224061","2020-10-21","18:00:00",""
"7048003","8.6286","0.0003","11.7724","0.0004","17.2358","0.0006","86.1898","0.0004","79.796","0.0004","72.2523","0.0004","1640.96","0.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H49 N2 Ni O P -","- C35 H49 N2 Ni O P -","- C70 H98 N4 Ni2 O2 P2 -","2","1","","Macaulay, Casper M.; Ogawa, Takahiko; McDonald, Robert; Sydora, Orson L.; Stradiotto, Mark; Turculet, Laura","A comparative analysis of hydrosilative amide reduction catalyzed by first-row transition metal (Mn, Fe, Co, and Ni) N-phosphinoamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9581","9587","10.1039/c8dt04221g","","","0.71073","MoKα","","0.0395","0.0345","","","0.0908","0.0944","","","","","","1.076","","","","has coordinates","224061","2020-10-21","18:00:00",""
"7048031","9.882","0.002","10.547","0.003","12.689","0.003","90.328","0.004","101.043","0.004","92.185","0.004","1297","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Co N4 -","- C32 H38 Co N4 -","- C64 H76 Co2 N8 -","2","1","","Hashimoto, Koichi; Koide, Taro; Okawara, Toru; Shimakoshi, Hisashi; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Hisaeda, Yoshio","Redox behaviour of the β-dihydroporphycene cobalt complex: study on the effect of hydrogenation of the ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","872","881","10.1039/c8dt03743d","","","0.71073","MoKα","","0.1303","0.0614","","","0.0943","0.1086","","","","","","1.25","","","","has coordinates,has disorder","224590","2020-10-21","18:00:00",""
"7048077","8.9661","0.0019","14.357","0.003","10.11","0.002","90","","109.154","0.004","90","","1229.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl N O Sn -","- C11 H14 Cl N O Sn -","- C44 H56 Cl4 N4 O4 Sn4 -","4","1","","Sharma, Mahendra Kumar; Ansari, Mursaleem; Mahawar, Pritam; Rajaraman, Gopalan; Nagendran, Selvarajan","Expanding the limits of catalysts with low-valent main-group elements for the hydroboration of aldehydes and ketones using [L<sup>†</sup>Sn(ii)][OTf] (L<sup>†</sup> = aminotroponate; OTf = triflate).","Dalton transactions (Cambridge, England : 2003)","2019","48","2","664","672","10.1039/c8dt02857e","","","0.71073","MoKα","","0.0534","0.045","","","0.1199","0.1232","","","","","","0.954","","","","has coordinates","224127","2020-10-21","18:00:00",""
"7048078","5.9965","0.0018","9.897","0.003","13.761","0.004","81.041","0.005","79.279","0.006","72.687","0.005","761.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 F3 N O4 S Sn -","- C12 H14 F3 N O4 S Sn -","- C24 H28 F6 N2 O8 S2 Sn2 -","2","1","","Sharma, Mahendra Kumar; Ansari, Mursaleem; Mahawar, Pritam; Rajaraman, Gopalan; Nagendran, Selvarajan","Expanding the limits of catalysts with low-valent main-group elements for the hydroboration of aldehydes and ketones using [L<sup>†</sup>Sn(ii)][OTf] (L<sup>†</sup> = aminotroponate; OTf = triflate).","Dalton transactions (Cambridge, England : 2003)","2019","48","2","664","672","10.1039/c8dt02857e","","","0.71073","MoKα","","0.0883","0.0812","","","0.2228","0.2326","","","","","","1.07","","","","has coordinates","224127","2020-10-21","18:00:00",""
"7048176","31.7901","0.001","19.3393","0.0008","20.8912","0.0013","90","","124.82","0.001","90","","10544.2","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 Cl5 N15 O22 Tb2 Zn5 -","- C82 H94 Cl5 N15 O22 Tb2 Zn5 -","- C328 H376 Cl20 N60 O88 Tb8 Zn20 -","4","0.5","","Yin, Cheng-Ling; Hu, Zhao-Bo; Long, Qiao-Qiao; Wang, Hui-Sheng; Li, Jing; Song, You; Zhang, Zai-Chao; Zhang, Yi-Quan; Pan, Zhi-Quan","Single molecule magnet behaviors of Zn<sub>4</sub>Ln<sub>2</sub> (Ln = Dy<sup>III</sup>, Tb<sup>III</sup>) complexes with multidentate organic ligands formed by absorption of CO<sub>2</sub> in air through in situ reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","512","522","10.1039/c8dt03849j","","","0.71073","MoKα","","0.0995","0.0618","","","0.1177","0.1297","","","","","","1.09","","","","has coordinates,has disorder","224132","2020-10-21","18:00:00",""
"7048177","15.585","0.002","14.9255","0.0019","22.836","0.003","90","","101.876","0.003","90","","5198.3","1.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H94 Cl2 Dy2 N18 O22 Zn4 -","- C82 H94 Cl2 Dy2 N18 O22 Zn4 -","- C164 H188 Cl4 Dy4 N36 O44 Zn8 -","2","0.5","","Yin, Cheng-Ling; Hu, Zhao-Bo; Long, Qiao-Qiao; Wang, Hui-Sheng; Li, Jing; Song, You; Zhang, Zai-Chao; Zhang, Yi-Quan; Pan, Zhi-Quan","Single molecule magnet behaviors of Zn<sub>4</sub>Ln<sub>2</sub> (Ln = Dy<sup>III</sup>, Tb<sup>III</sup>) complexes with multidentate organic ligands formed by absorption of CO<sub>2</sub> in air through in situ reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","512","522","10.1039/c8dt03849j","","","0.71073","MoKα","","0.19","0.0932","","","0.1901","0.2099","","","","","","1.099","","","","has coordinates,has disorder","224132","2020-10-21","18:00:00",""
"7048178","31.9019","0.0014","19.2849","0.0009","20.9039","0.0008","90","","124.811","0.001","90","","10559.1","0.8","172","2","172","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 Cl5 Gd2 N15 O22 Zn5 -","- C82 H94 Cl5 Gd2 N15 O22 Zn5 -","- C328 H376 Cl20 Gd8 N60 O88 Zn20 -","4","0.5","","Yin, Cheng-Ling; Hu, Zhao-Bo; Long, Qiao-Qiao; Wang, Hui-Sheng; Li, Jing; Song, You; Zhang, Zai-Chao; Zhang, Yi-Quan; Pan, Zhi-Quan","Single molecule magnet behaviors of Zn<sub>4</sub>Ln<sub>2</sub> (Ln = Dy<sup>III</sup>, Tb<sup>III</sup>) complexes with multidentate organic ligands formed by absorption of CO<sub>2</sub> in air through in situ reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","512","522","10.1039/c8dt03849j","","","0.71073","MoKα","","0.1391","0.072","","","0.1274","0.1423","","","","","","1.092","","","","has coordinates,has disorder","224132","2020-10-21","18:00:00",""
"7048180","17.0062","0.0005","10.9658","0.0003","13.4337","0.0004","90","","99.16","0.003","90","","2473.26","0.13","302.2","0.4","302.2","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N6 O13 -","- C20 H20 Cd2 N6 O13 -","- C80 H80 Cd8 N24 O52 -","4","0.5","","Wang, Chen-Xue; Xia, Yu-Pei; Yao, Zhao-Quan; Xu, Jialiang; Chang, Ze; Bu, Xian-He","Two luminescent coordination polymers as highly selective and sensitive chemosensors for Cr<sup>VI</sup>-anions in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","387","394","10.1039/c8dt04230f","","x-ray","1.54184","CuKα","","0.0281","0.026","","","0.0682","0.0694","","","","","","1.062","","","","has coordinates,has disorder","224124","2020-10-21","18:00:00",""
"7048181","16.3819","0.0002","10.7728","0.0002","13.4974","0.0002","90","","98.286","0.001","90","","2357.14","0.06","298.69","0.11","298.69","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 N6 O13 Zn2 -","- C20 H20 N6 O13 Zn2 -","- C80 H80 N24 O52 Zn8 -","4","0.5","","Wang, Chen-Xue; Xia, Yu-Pei; Yao, Zhao-Quan; Xu, Jialiang; Chang, Ze; Bu, Xian-He","Two luminescent coordination polymers as highly selective and sensitive chemosensors for Cr<sup>VI</sup>-anions in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","387","394","10.1039/c8dt04230f","","x-ray","1.54184","CuKα","","0.0301","0.0285","","","0.0759","0.077","","","","","","1.041","","","","has coordinates,has disorder","224124","2020-10-21","18:00:00",""
"7048187","9.6299","0.0005","9.6299","0.0005","21.8959","0.0012","90","","90","","90","","2030.52","0.19","100","2","100","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","","","- C39.5 H29.5 Co2 N2.5 O9.5 Si -","- C38 H24 Co2 N2 O8 Si -","- C76 H48 Co4 N4 O16 Si2 -","2","0.125","","Gupta, Vijay; Mandal, Sanjay K.","A robust and water-stable two-fold interpenetrated metal-organic framework containing both rigid tetrapodal carboxylate and rigid bifunctional nitrogen linkers exhibiting selective CO<sub>2</sub> capture.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","415","425","10.1039/c8dt03844a","","x-ray","0.71073","MoKα","","0.0766","0.0669","","","0.1589","0.1641","","","","","","1.141","","","","has coordinates,has disorder","224140","2020-10-21","18:00:00",""
"7048224","12.297","0.0017","12.7497","0.0019","25.59","0.003","88.487","0.003","82.088","0.004","65.822","0.003","3623.3","0.9","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C29.67 H33.33 Fe O2.33 -","- C29.6667 H36 Fe O2.33333 -","- C178 H216 Fe6 O14 -","6","6","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0933","0.071","","","0.1773","0.1937","","","","","","1.021","","","","has coordinates,has disorder","224414","2020-10-21","18:00:00",""
"7048225","6.2596","0.0006","21.147","0.0017","10.7733","0.001","90","","102.201","0.005","90","","1393.9","0.2","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","E1FeDb","","","- C30 H30 Cl4 Fe O2 -","- C30 H30 Cl4 Fe O2 -","- C60 H60 Cl8 Fe2 O4 -","2","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0462","0.0365","","","0.0742","0.0783","","","","","","1.004","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048226","6.1976","0.0006","19.6861","0.0019","11.2319","0.0011","90","","96.743","0.002","90","","1360.9","0.2","120","2","120.51","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 Fe O2 -","- C35 H36 Fe O2 -","- C70 H72 Fe2 O4 -","2","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0306","0.0279","","","0.0685","0.0697","","","","","","1.031","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048227","7.5702","0.0018","12.041","0.003","12.814","0.003","90","","91.42","0.007","90","","1167.7","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 Fe O2 -","- C29 H32 Fe O2 -","- C58 H64 Fe2 O4 -","2","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","x-ray","0.71073","MoKα","","0.0965","0.0657","","","0.1263","0.1381","","","","","","1.03","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048228","10.0046","0.0004","11.4982","0.0006","11.6527","0.0005","64.265","0.002","74.577","0.002","77.079","0.003","1154.96","0.09","100","2","100.15","","","","","","","","","4","P 1","P 1","1","","","","- C29 H33 Fe O2.5 -","- C29 H33 Fe O2.5 -","- C58 H66 Fe2 O5 -","2","2","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.069","0.0566","","","0.1513","0.1613","","","","","","1.049","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048229","10.3874","0.0009","11.2015","0.0009","20.3224","0.0017","90","","98.921","0.003","90","","2336","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","E2FeA","","","- C29 H32 Fe O3 -","- C29 H32 Fe O3 -","- C116 H128 Fe4 O12 -","4","1","","Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique","Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5952","5964","10.1039/c8dt01856a","","","0.71073","MoKα","","0.0634","0.0579","","","0.1511","0.1577","","","","","","1.114","","","","has coordinates","224414","2020-10-21","18:00:00",""
"7048237","13.6269","0.0003","16.8816","0.0004","19.4131","0.0005","90","","107.141","0.003","90","","4267.5","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Cd N4 O6 -","- C43 H30 Cd N4 O6 -","- C172 H120 Cd4 N16 O24 -","4","1","","Kaur, Harpreet; Kumar, Rakesh; Kumar, Ajay; Krishnan, Venkata; Koner, Rik Rani","Trifunctional metal-organic platform for environmental remediation: structural features with peripheral hydroxyl groups facilitate adsorption, degradation and reduction processes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","915","927","10.1039/c8dt04180f","","x-ray","1.54184","CuKα","","0.0384","0.0331","","","0.0889","0.0945","","","","","","1.078","","","","has coordinates","224582","2020-10-21","18:00:00",""
"7048244","15.1242","0.0003","7.0651","0.0001","23.2973","0.0005","90","","104.6","0.002","90","","2409.02","0.08","293","2","293.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C15 H13 Cl N6 Na2 O14 U -","- C15 H13 Cl N6 Na2 O14 U -","- C60 H52 Cl4 N24 Na8 O56 U4 -","4","1","","Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu","A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","566","577","10.1039/c8dt04099k","","x-ray","0.71073","MoKα","","0.0449","0.0334","","","0.0711","0.0768","","","","","","1.063","","","","has coordinates","224134","2020-10-21","18:00:00",""
"7048245","26.1101","0.0017","7.7452","0.0005","6.8023","0.0005","90","","90","","90","","1375.62","0.16","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 N4 O7 U -","- C10 H8 N4 O7 U -","- C40 H32 N16 O28 U4 -","4","1","","Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu","A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","566","577","10.1039/c8dt04099k","","x-ray","0.71073","MoKα","","0.057","0.0437","","","0.0904","0.096","","","","","","1.102","","","","has coordinates","224134","2020-10-21","18:00:00",""
"7048246","25.7342","0.0009","6.8614","0.0003","16.7222","0.0006","90","","96.75","0.003","90","","2932.2","0.2","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N4 O8 U -","- C10 H10 N4 O8 U -","- C80 H80 N32 O64 U8 -","8","1","","Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu","A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","566","577","10.1039/c8dt04099k","","x-ray","0.71073","MoKα","","0.0334","0.0233","","","0.0397","0.0426","","","","","","0.996","","","","has coordinates","224134","2020-10-21","18:00:00",""
"7048247","7.824","0.0005","8.0617","0.0006","11.9538","0.0007","87.484","0.005","75.764","0.006","88.38","0.006","730.01","0.09","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N8 O16 U2 -","- C20 H20 N8 O16 U2 -","- C20 H20 N8 O16 U2 -","1","0.5","","Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu","A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","566","577","10.1039/c8dt04099k","","x-ray","0.71073","MoKα","","0.0466","0.04","","","0.0755","0.0806","","","","","","1.043","","","","has coordinates","224134","2020-10-21","18:00:00",""
"7048254","10.8002","0.0003","7.2707","0.0002","6.601","0.0002","90","","90","","90","","518.34","0.03","","","293","","","","100","","","","","3","P n m a","-P 2ac 2n","62","Potassium yttrium fluoride","","","- F5 K2 Y -","- F5 K2 Y -","- F20 K8 Y4 -","4","0.5","","Dabachi, Jamal; Body, Monique; Dittmer, Jens; Rakhmatullin, Aydar; Fayon, Franck; Legein, Christophe","Insight into the factors influencing NMR parameters in crystalline materials from the KF-YF<sub>3</sub> binary system.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","587","601","10.1039/c8dt03241f","","x-ray","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","224137","2020-10-21","18:00:00",""
"7048255","12.26","0.003","18.225","0.005","19.795","0.005","90","","90","","90","","4423","2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2.38 H0.86 N0 Ni0.38 O1.9 Si0.1 -","- C2.38095 H0.857143 Ni0.380952 O1.90476 Si0.0952381 -","- C100 H36 Ni16 O80 Si4 -","42","5.25","","Gao, Chao-Ying; Yang, Yang; Liu, Jinghai; Sun, Zhong-Ming","A Ni<sup>II</sup>-cluster-based MOF as an efficient heterogeneous catalyst for the chemical transformation of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1246","1250","10.1039/c8dt04284e","","","0.71073","MoKα","","0.0775","0.0598","","","0.1717","0.1818","","","","","","1.048","","","","has coordinates","224084","2020-10-21","18:00:00",""
"7048260","22.4759","0.0011","17.6489","0.0007","18.5888","0.0009","90","","108.609","0.005","90","","6988.2","0.6","135","0.1","135","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 F36 N8 O16 Tb2 -","- C50 H36 F36 N8 O16 Tb2 -","- C200 H144 F144 N32 O64 Tb8 -","4","1","","Chen, Peng Yun; Wu, Ming Ze; Liu, Zhong Yi; Tian, Li; Zhang, Yi Quan","Slow relaxation of the magnetization observed in mononuclear Ln-radical compounds with D<sub>4d</sub> geometry configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","558","565","10.1039/c8dt03809k","","x-ray","1.54184","CuKα","","0.1449","0.1074","","","0.2835","0.3215","","","","","","1.047","","","","has coordinates,has disorder","224131","2020-10-21","18:00:00",""
"7048261","22.3377","0.0012","17.6","0.0007","18.5483","0.001","90","","108.21","0.006","90","","6926.9","0.6","106.22","0.1","106.22","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Dy2 F36 N8 O16 -","- C50 H36 Dy2 F36 N8 O16 -","- C200 H144 Dy8 F144 N32 O64 -","4","1","","Chen, Peng Yun; Wu, Ming Ze; Liu, Zhong Yi; Tian, Li; Zhang, Yi Quan","Slow relaxation of the magnetization observed in mononuclear Ln-radical compounds with D<sub>4d</sub> geometry configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","558","565","10.1039/c8dt03809k","","x-ray","0.71073","MoKα","","0.0822","0.0524","","","0.1201","0.1475","","","","","","1.03","","","","has coordinates,has disorder","224131","2020-10-21","18:00:00",""
"7048262","22.7171","0.0004","17.7935","0.0003","18.7601","0.0004","90","","109.425","0.002","90","","7151.5","0.2","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F18 Gd N4 O8 -","- C25 H18 F18 Gd N4 O8 -","- C200 H144 F144 Gd8 N32 O64 -","8","2","","Chen, Peng Yun; Wu, Ming Ze; Liu, Zhong Yi; Tian, Li; Zhang, Yi Quan","Slow relaxation of the magnetization observed in mononuclear Ln-radical compounds with D<sub>4d</sub> geometry configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","558","565","10.1039/c8dt03809k","","x-ray","1.54184","CuKα","","0.0841","0.06","","","0.1535","0.1696","","","","","","1.021","","","","has coordinates,has disorder","224131","2020-10-21","18:00:00",""
"7048263","11.1144","0.0006","15.7599","0.0007","14.9052","0.0007","90","","105.382","0.003","90","","2517.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Fe2 N8 O4 S4 -","- C52 H44 Fe2 N8 O4 S4 -","- C104 H88 Fe4 N16 O8 S8 -","2","0.5","","Hsieh, Chang-Chih; Liu, Yu-Chiao; Tseng, Mei-Chun; Chiang, Ming-Hsi; Horng, Yih-Chern","Dioxygen activation by a dinuclear thiolate-ligated Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","379","386","10.1039/c8dt04491k","","","0.71073","MoKα","","0.0539","0.035","","","0.1019","0.1213","","","","","","0.789","","","","has coordinates","224138","2020-10-21","18:00:00",""
"7048264","7.838","0.002","19.043","0.006","15.788","0.005","90","","96.21","0.02","90","","2342.7","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O2 S2 -","- C26 H22 N4 O2 S2 -","- C104 H88 N16 O8 S8 -","4","1","","Hsieh, Chang-Chih; Liu, Yu-Chiao; Tseng, Mei-Chun; Chiang, Ming-Hsi; Horng, Yih-Chern","Dioxygen activation by a dinuclear thiolate-ligated Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","379","386","10.1039/c8dt04491k","","","0.71073","MoKα","","0.1516","0.0632","","","0.1553","0.2219","","","","","","0.926","","","","has coordinates","224138","2020-10-21","18:00:00",""
"7048265","15.879","0.003","12.862","0.003","16.892","0.003","90","","102.985","0.014","90","","3361.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Fe N5 O3 S2 -","- C34 H42 Fe N5 O3 S2 -","- C136 H168 Fe4 N20 O12 S8 -","4","1","","Hsieh, Chang-Chih; Liu, Yu-Chiao; Tseng, Mei-Chun; Chiang, Ming-Hsi; Horng, Yih-Chern","Dioxygen activation by a dinuclear thiolate-ligated Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","379","386","10.1039/c8dt04491k","","","0.71073","MoKα","","0.1574","0.0629","","","0.1419","0.2051","","","","","","0.937","","","","has coordinates","224138","2020-10-21","18:00:00",""
"7048266","9.9938","0.0016","13.994","0.002","8.1879","0.0013","90","","97.361","0.011","90","","1135.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O S -","- C13 H10 N2 O S -","- C52 H40 N8 O4 S4 -","4","1","","Hsieh, Chang-Chih; Liu, Yu-Chiao; Tseng, Mei-Chun; Chiang, Ming-Hsi; Horng, Yih-Chern","Dioxygen activation by a dinuclear thiolate-ligated Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","379","386","10.1039/c8dt04491k","","","0.71073","MoKα","","0.0541","0.0389","","","0.1295","0.1428","","","","","","0.985","","","","has coordinates","224138","2020-10-21","18:00:00",""
"7048270","6.6033","0.0008","7.4965","0.0008","18.663","0.003","90","","90","","90","","923.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 N4 S4 W -","- H10 N4 S4 W -","- H40 N16 S16 W4 -","4","1","","Mangelsen, Sebastian; Srinivasan, Bikshandarkoil R.; Schürmann, Ulrich; Kienle, Lorenz; Näther, Christian; Bensch, Wolfgang","Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1184","1201","10.1039/c8dt04205e","","","0.71073","MoKα","","0.0233","0.0186","","","0.0431","0.0442","","","","","","1.046","","","","has coordinates","224077","2020-10-21","18:00:00",""
"7048271","10.53537","0.00017","7.07583","0.00011","11.75952","0.00017","90","","90","","90","","876.63","0.02","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","?(NH4)(N2H5)WS4?","- H9 N3 S4 W -","- H9 N3 S4 W -","- H36 N12 S16 W4 -","4","0.5","","Mangelsen, Sebastian; Srinivasan, Bikshandarkoil R.; Schürmann, Ulrich; Kienle, Lorenz; Näther, Christian; Bensch, Wolfgang","Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1184","1201","10.1039/c8dt04205e","powder diffraction","x-ray","1.5418","","","","","","","","","","0.0194","2.095","","","","","","","has coordinates","224077","2020-10-21","18:00:00",""
"7048272","20.1904","0.0017","10.0161","0.0009","11.4086","0.001","90","","100.609","0.009","90","","2267.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C23 H15 N3 O4 Zn -","- C23 H11 N3 O4 Zn -","- C92 H44 N12 O16 Zn4 -","4","0.5","","Wang, Di; Zhang, Di; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Li, Jin-Hua; Wang, Guo-Ming","A pillared-layer strategy to construct water-stable Zn-organic frameworks for iodine capture and luminescence sensing of Fe<sup>3</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","602","608","10.1039/c8dt04091e","","","0.71073","MoKα","","0.0741","0.069","","","0.1953","0.2002","","","","","","1.123","","","","has coordinates","224130","2020-10-21","18:00:00",""
"7048273","20.2829","0.0015","10","0.0009","15.6976","0.0014","90","","103.012","0.009","90","","3102.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H19 N3 O4 Zn -","- C29 H11 N3 O4 Zn -","- C116 H44 N12 O16 Zn4 -","4","0.5","","Wang, Di; Zhang, Di; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Li, Jin-Hua; Wang, Guo-Ming","A pillared-layer strategy to construct water-stable Zn-organic frameworks for iodine capture and luminescence sensing of Fe<sup>3</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","602","608","10.1039/c8dt04091e","","","0.71073","MoKα","","0.111","0.0796","","","0.2197","0.2395","","","","","","1.086","","","","has coordinates","224130","2020-10-21","18:00:00",""
"7048277","13.789","0.003","11.399","0.003","12.212","0.003","90","","116.361","0.004","90","","1719.9","0.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Co N4 O2 -","- C20 H22 Co N4 O2 -","- C80 H88 Co4 N16 O8 -","4","0.5","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Hydrogen-bonding interactions and magnetic relaxation dynamics in tetracoordinated cobalt(ii) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","395","399","10.1039/c8dt04537b","","","0.71073","MoKα","","0.0526","0.0403","","","0.1127","0.1231","","","","","","0.879","","","","has coordinates","224125","2020-10-21","18:00:00",""
"7048278","9.6795","0.0011","14.4187","0.0016","25.494","0.003","90","","90","","90","","3558.1","0.7","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Co N4 O3 -","- C19 H18 Co N4 O3 -","- C152 H144 Co8 N32 O24 -","8","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Hydrogen-bonding interactions and magnetic relaxation dynamics in tetracoordinated cobalt(ii) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","395","399","10.1039/c8dt04537b","","","0.71073","MoKα","","0.0488","0.0363","","","0.0905","0.0946","","","","","","1.059","","","","has coordinates","224125","2020-10-21","18:00:00",""
"7048279","11.983","0.0019","7.6704","0.0013","18.692","0.003","90","","105.227","0.002","90","","1657.7","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Co N4 O2 -","- C18 H18 Co N4 O2 -","- C72 H72 Co4 N16 O8 -","4","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Hydrogen-bonding interactions and magnetic relaxation dynamics in tetracoordinated cobalt(ii) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","395","399","10.1039/c8dt04537b","","","0.71073","MoKα","","0.0586","0.0419","","","0.0953","0.1006","","","","","","1.05","","","","has coordinates","224125","2020-10-21","18:00:00",""
"7048280","16.0887","0.0012","15.4561","0.0007","16.3446","0.0015","90","","108.111","0.008","90","","3863","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Br Fe2 O5 S3 -","- C11 H15 Br Fe2 O5 S3 -","- C88 H120 Br8 Fe16 O40 S24 -","8","2","","Xiao, Zhiyin; Jiang, Ran; Jin, Jing; Yang, Xiuqin; Xu, Binyu; Liu, Xiaoming; He, Yabing; He, Yi","Diiron(ii) pentacarbonyl complexes as CO-releasing molecules: their synthesis, characterization, CO-releasing behaviour and biocompatibility.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","468","477","10.1039/c8dt03982h","","x-ray","0.71073","MoKα","","0.212","0.084","","","0.1863","0.2329","","","","","","0.925","","","","has coordinates","224128","2020-10-21","18:00:00",""
"7048281","10.7252","0.0004","20.1697","0.0006","17.087","0.0006","90","","106.031","0.004","90","","3552.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Fe3 I3 O6 S6 -","- C18 H30 Fe3 I3 O6 S6 -","- C72 H120 Fe12 I12 O24 S24 -","4","1","","Xiao, Zhiyin; Jiang, Ran; Jin, Jing; Yang, Xiuqin; Xu, Binyu; Liu, Xiaoming; He, Yabing; He, Yi","Diiron(ii) pentacarbonyl complexes as CO-releasing molecules: their synthesis, characterization, CO-releasing behaviour and biocompatibility.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","468","477","10.1039/c8dt03982h","","x-ray","0.71073","MoKα","","0.0676","0.0442","","","0.0897","0.0974","","","","","","1.072","","","","has coordinates","224128","2020-10-21","18:00:00",""
"7048282","8.6484","0.0003","14.9685","0.0006","17.1875","0.0006","90","","98.389","0.004","90","","2201.18","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Br Fe2 O5 S3 -","- C14 H21 Br Fe2 O5 S3 -","- C56 H84 Br4 Fe8 O20 S12 -","4","1","","Xiao, Zhiyin; Jiang, Ran; Jin, Jing; Yang, Xiuqin; Xu, Binyu; Liu, Xiaoming; He, Yabing; He, Yi","Diiron(ii) pentacarbonyl complexes as CO-releasing molecules: their synthesis, characterization, CO-releasing behaviour and biocompatibility.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","468","477","10.1039/c8dt03982h","","x-ray","1.54184","CuKα","","0.2354","0.1705","","","0.4141","0.4658","","","","","","1.095","","","","has coordinates","224128","2020-10-21","18:00:00",""
"7048283","9.9734","0.0012","11.7281","0.0015","17.3","0.002","79.277","0.011","80.459","0.011","65.816","0.012","1804.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Br4 Fe4 O6 S6 -","- C18 H30 Br4 Fe4 O6 S6 -","- C36 H60 Br8 Fe8 O12 S12 -","2","1","","Xiao, Zhiyin; Jiang, Ran; Jin, Jing; Yang, Xiuqin; Xu, Binyu; Liu, Xiaoming; He, Yabing; He, Yi","Diiron(ii) pentacarbonyl complexes as CO-releasing molecules: their synthesis, characterization, CO-releasing behaviour and biocompatibility.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","468","477","10.1039/c8dt03982h","","","1.54184","CuKα","","0.3573","0.1188","","","0.2233","0.3574","","","","","","0.902","","","","has coordinates","224128","2020-10-21","18:00:00",""
"7048284","14.3478","0.0005","15.215","0.0006","17.8257","0.0006","90.742","0.002","100.401","0.002","109.907","0.002","3587.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.2 H36.3 B10 Cl2 N2.1 P2 Pd -","- C29.2 H36.3 B10 Cl2 N2.1 P2 Pd -","- C116.8 H145.2 B40 Cl8 N8.4 P8 Pd4 -","4","2","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.0705","0.0423","","","0.0766","0.0867","","","","","","1.01","","","","has coordinates,has disorder","224139","2020-10-21","18:00:00",""
"7048285","10.0348","0.0009","12.5745","0.0013","17.0634","0.0017","108.249","0.006","95.507","0.006","98.63","0.006","1998.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H78 B20 Cl12 N2 P4 Pd2 -","- C60 H78 B20 Cl12 N2 P4 Pd2 -","- C60 H78 B20 Cl12 N2 P4 Pd2 -","1","0.5","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.0603","0.0371","","","0.0783","0.0866","","","","","","1.037","","","","has coordinates","224139","2020-10-21","18:00:00",""
"7048286","16.5388","0.0016","15.5576","0.0014","26.972","0.002","90","","90","","90","","6940","1.1","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27.5 H34 B10 Cl3 N P2 Pd -","- C27.5 H34 B10 Cl3 N P2 Pd -","- C220 H272 B80 Cl24 N8 P16 Pd8 -","8","1","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.1124","0.0621","","","0.0976","0.1125","","","","","","1.056","","","","has coordinates,has disorder","224139","2020-10-21","18:00:00",""
"7048287","9.6471","0.0008","20.3872","0.0016","20.3717","0.0015","90","","100.521","0.003","90","","3939.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 B20 Cl8 N2 P4 Pd2 -","- C68 H78 B20 Cl8 N2 P4 Pd2 -","- C136 H156 B40 Cl16 N4 P8 Pd4 -","2","0.5","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.0576","0.0402","","","0.0882","0.0958","","","","","","1.026","","","","has coordinates","224139","2020-10-21","18:00:00",""
"7048288","15.7503","0.0016","15.9367","0.0016","17.0977","0.0016","90","","107.832","0.005","90","","4085.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Cl8 N P2 Pd -","- C39 H33 Cl8 N P2 Pd -","- C156 H132 Cl32 N4 P8 Pd4 -","4","1","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.0787","0.0422","","","0.0766","0.0885","","","","","","1.013","","","","has coordinates","224139","2020-10-21","18:00:00",""
"7048289","12.452","0.0008","16.2137","0.0008","17.6328","0.0011","90","","109.186","0.004","90","","3362.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 B10 Cl2 N P2 Pd -","- C28 H35 B10 Cl2 N P2 Pd -","- C112 H140 B40 Cl8 N4 P8 Pd4 -","4","1","","Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio","Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","486","503","10.1039/c8dt04006k","","","0.71073","MoKα","","0.0564","0.0362","","","0.0708","0.0764","","","","","","1.048","","","","has coordinates","224139","2020-10-21","18:00:00",""
"7048290","19.1253","0.0011","15.57","0.0008","22.0836","0.0012","90","","99.096","0.002","90","","6493.4","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H26 Eu N5 Ni O13 -","- C30 H26 Eu N5 Ni O13 -","- C240 H208 Eu8 N40 Ni8 O104 -","8","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0499","0.0387","","","0.0991","0.1045","","","","","","1.053","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048291","9.285","0.0006","16.2386","0.0011","23.4534","0.0015","90","","95.284","0.002","90","","3521.2","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Eu N5 O15 Zn -","- C32 H34 Eu N5 O15 Zn -","- C128 H136 Eu4 N20 O60 Zn4 -","4","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0323","0.0281","","","0.0662","0.0712","","","","","","1.092","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048292","19.098","0.001","15.5383","0.0007","22.0389","0.0011","90","","99.059","0.002","90","","6458.5","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H26 Eu N5 Ni O13 -","- C30 H26 Eu N5 Ni O13 -","- C240 H208 Eu8 N40 Ni8 O104 -","8","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0417","0.0313","","","0.0714","0.0803","","","","","","1.083","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048293","9.0617","0.001","17.1585","0.0017","22.414","0.002","90","","97.001","0.004","90","","3459.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Eu N5 O15 Zn -","- C30 H28 Eu N5 O15 Zn -","- C120 H112 Eu4 N20 O60 Zn4 -","4","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.063","0.0435","","","0.0996","0.1092","","","","","","1.046","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048294","9.2811","0.0004","16.2336","0.0008","23.4071","0.0011","90","","95.232","0.002","90","","3512","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Eu N5 O15 Zn -","- C32 H34 Eu N5 O15 Zn -","- C128 H136 Eu4 N20 O60 Zn4 -","4","2","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0552","0.0359","","","0.0667","0.0754","","","","","","1.082","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048295","9.2091","0.0014","16.418","0.003","23.14","0.004","90","","95.496","0.006","90","","3482.6","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C63 H64 Eu2 N10 O29 Zn2 -","- C63 H64 Eu2 N10 O29 Zn2 -","- C126 H128 Eu4 N20 O58 Zn4 -","2","1","","Mayans, Júlia; Saez, Queralt; Font-Bardia, Mercè; Escuer, Albert","Enhancement of magnetic relaxation properties with 3d diamagnetic cations in [Zn<sup>II</sup>Ln<sup>III</sup>] and [Ni<sup>II</sup>Ln<sup>III</sup>], Ln<sup>III</sup> = Kramers lanthanides.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","641","652","10.1039/c8dt03679a","","","0.71073","MoKα","","0.0955","0.0737","","","0.1773","0.19","","","","","","1.058","","","","has coordinates","224135","2020-10-21","18:00:00",""
"7048296","16.6555","0.0015","5.7443","0.0005","22.148","0.0016","90","","94.497","0.005","90","","2112.5","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Co N O9.5 P2 -","- C19 H24 Co N O9.503 P2 -","- C76 H96 Co4 N4 O38.012 P8 -","4","1","","Zeng, Tianyu; Wang, Liwen; Feng, Lu; Xu, Hailong; Cheng, Qingrong; Pan, Zhiquan","Two novel organic phosphorous-based MOFs: synthesis, characterization and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","523","534","10.1039/c8dt04106g","","","1.54178","CuKα","","0.0983","0.0729","","","0.1624","0.1787","","","","","","1.076","","","","has coordinates,has disorder","224120","2020-10-21","18:00:00",""
"7048297","10.9957","0.0008","13.1434","0.001","15.1707","0.0013","72.061","0.003","82.134","0.003","66.169","0.002","1907.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 Cu N O7 P2 -","- C19 H20 Cu N O7 P2 -","- C76 H80 Cu4 N4 O28 P8 -","4","2","","Zeng, Tianyu; Wang, Liwen; Feng, Lu; Xu, Hailong; Cheng, Qingrong; Pan, Zhiquan","Two novel organic phosphorous-based MOFs: synthesis, characterization and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","523","534","10.1039/c8dt04106g","","","0.71073","MoKα","","0.1471","0.0605","","","0.0695","0.0796","","","","","","1.019","","","","has coordinates","224120","2020-10-21","18:00:00",""
"7048298","18.7999","0.0002","12.6975","0.0002","29.0765","0.0004","90","","92.7039","0.0012","90","","6933.17","0.16","111.7","0.14","111.7","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 N9 Nd -","- C27 H60 N9 Nd -","- C216 H480 N72 Nd8 -","8","1","","Cwik, Stefan; Beer, Sebastian M. J.; Schmidt, Marcel; Gerhardt, Nils C.; de Los Arcos, Teresa; Rogalla, Detlef; Weßing, Jana; Giner, Ignacio; Hofmann, Martin; Grundmeier, Guido; Wieck, Andreas D.; Devi, Anjana","Luminescent Nd<sub>2</sub>S<sub>3</sub> thin films: a new chemical vapour deposition route towards rare-earth sulphides.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2926","2938","10.1039/c8dt04317e","","x-ray","1.54184","CuKα","","0.0287","0.0258","","","0.0625","0.0644","","","","","","1.024","","","","has coordinates","224322","2020-10-21","18:00:00",""
"7048299","5.41306","0.00011","11.64322","0.00017","5.29631","0.00012","90","","91.5403","0.0013","90","","333.682","0.011","293","","293","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","LaNb0.88W0.12O4","","- La Nb0.88 O4 W0.12 -","- La0.994 Nb0.88 O4 W0.12 -","- La3.976 Nb3.52 O16 W0.48 -","4","0.5","","Li, Cheng; Pramana, Stevin S.; Skinner, Stephen J.","Room temperature structure and transport properties of the incommensurate modulated LaNb<sub>0.88</sub>W<sub>0.12</sub>O<sub>4.06</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1633","1646","10.1039/c8dt03958e","powder diffraction","x-ray","0.3308","","","0.0878","0.0794","","0.0895","0.0887","","","","2.74","","","","","","","has coordinates","224002","2020-10-21","18:00:00",""
"7048300","17.2739","0.0005","10.8748","0.0003","23.2168","0.0007","90","","90.452","0.006","90","","4361.1","0.2","123","","123","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H50 O22 Si12 -","- C16 H50 O22 Si12 -","- C64 H200 O88 Si48 -","4","1","","Sato, Naoto; Tochigi, Kazuma; Kuroda, Yoshiyuki; Wada, Hiroaki; Shimojima, Atsushi; Kuroda, Kazuyuki","Synthesis and crystal structure of double-three ring (D3R)-type cage siloxanes modified with dimethylsilanol groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1969","1975","10.1039/c8dt04244f","","","1.54187","CuKα","","0.1029","0.062","","","0.1204","0.135","","","","","","1.016","","","","has coordinates,has disorder","224155","2020-10-21","18:00:00",""
"7048301","19.8884","0.0004","14.1218","0.0003","16.2519","0.0003","90","","101.415","0.007","90","","4474.22","0.19","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H48 O18 Si12 -","- C15 H48 O18 Si12 -","- C60 H192 O72 Si48 -","4","0.5","","Sato, Naoto; Tochigi, Kazuma; Kuroda, Yoshiyuki; Wada, Hiroaki; Shimojima, Atsushi; Kuroda, Kazuyuki","Synthesis and crystal structure of double-three ring (D3R)-type cage siloxanes modified with dimethylsilanol groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1969","1975","10.1039/c8dt04244f","","","1.54187","CuKα","","0.1058","0.0831","","","0.2268","0.2426","","","","","","1.098","","","","has coordinates,has disorder","224155","2020-10-21","18:00:00",""
"7048302","9.616","0.007","11.057","0.008","12.628","0.009","103.175","0.008","99.103","0.009","92.477","0.008","1286.5","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H22 Cl N2 O P Pd -","- C31 H22 Cl N2 O P Pd -","- C62 H44 Cl2 N4 O2 P2 Pd2 -","2","1","","Liu, Hui; Yuan, Haibin; Shi, Xiaochao","Synthesis of nickel and palladium complexes with diarylamido-based unsymmetrical pincer ligands and application for norbornene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","609","617","10.1039/c8dt04413a","","","0.71073","MoKα","","0.0478","0.0354","","","0.0828","0.101","","","","","","1.165","","","","has coordinates","224122","2020-10-21","18:00:00",""
"7048303","9.347","0.005","10.065","0.006","28.656","0.016","90","","90","","90","","2696","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl N2 O P Pd -","- C30 H28 Cl N2 O P Pd -","- C120 H112 Cl4 N8 O4 P4 Pd4 -","4","1","","Liu, Hui; Yuan, Haibin; Shi, Xiaochao","Synthesis of nickel and palladium complexes with diarylamido-based unsymmetrical pincer ligands and application for norbornene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","609","617","10.1039/c8dt04413a","","","0.71073","MoKα","","0.0184","0.0178","","","0.0444","0.0446","","","","","","1.199","","","","has coordinates","224122","2020-10-21","18:00:00",""
"7048304","14.266","0.008","11.778","0.006","17.235","0.009","90","","112.784","0.006","90","","2670","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl N2 O P Pd -","- C29 H26 Cl N2 O P Pd -","- C116 H104 Cl4 N8 O4 P4 Pd4 -","4","1","","Liu, Hui; Yuan, Haibin; Shi, Xiaochao","Synthesis of nickel and palladium complexes with diarylamido-based unsymmetrical pincer ligands and application for norbornene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","609","617","10.1039/c8dt04413a","","","0.71073","MoKα","","0.0333","0.0256","","","0.059","0.0636","","","","","","1.047","","","","has coordinates","224122","2020-10-21","18:00:00",""
"7048305","10.606","0.011","14.265","0.014","10.706","0.011","90","","114.708","0.011","90","","1471","3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H29 Cl N2 O P Pd -","- C34 H28 Cl N2 O P Pd -","- C68 H56 Cl2 N4 O2 P2 Pd2 -","2","1","","Liu, Hui; Yuan, Haibin; Shi, Xiaochao","Synthesis of nickel and palladium complexes with diarylamido-based unsymmetrical pincer ligands and application for norbornene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","609","617","10.1039/c8dt04413a","","","0.71073","MoKα","","0.0285","0.0257","","","0.059","0.0611","","","","","","1.054","","","","has coordinates","224122","2020-10-21","18:00:00",""
"7048306","9.8986","0.0003","11.6908","0.0004","13.1739","0.0004","71.971","0.003","89.258","0.002","88.706","0.003","1449.27","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 F4 Ir N5 -","- C34 H24 F4 Ir N5 -","- C68 H48 F8 Ir2 N10 -","2","1","","Quan, Linh M.; Stringer, Bradley D.; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Barbante, Gregory J.; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Tuning the electrochemiluminescent properties of iridium complexes of N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","653","663","10.1039/c8dt04433c","","","1.54184","CuKα","","0.048","0.0473","","","0.127","0.1279","","","","","","1.053","","","","has coordinates","224133","2020-10-21","18:00:00",""
"7048307","10.84307","0.00011","15.66542","0.00016","15.57142","0.00016","90","","92.5122","0.0009","90","","2642.44","0.05","172.97","0.14","172.97","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 F6 Ir N4 -","- C32 H19 F6 Ir N4 -","- C128 H76 F24 Ir4 N16 -","4","1","","Quan, Linh M.; Stringer, Bradley D.; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Barbante, Gregory J.; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Tuning the electrochemiluminescent properties of iridium complexes of N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","653","663","10.1039/c8dt04433c","","","1.54184","CuKα","","0.0212","0.0205","","","0.0506","0.0509","","","","","","1.159","","","","has coordinates","224133","2020-10-21","18:00:00",""
"7048308","10.383","0.0003","10.6683","0.0003","13.4176","0.0004","76.274","0.002","82.985","0.002","84.99","0.002","1430.37","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 F4 Ir N4 O2 -","- C34 H25 F4 Ir N4 O2 -","- C68 H50 F8 Ir2 N8 O4 -","2","1","","Quan, Linh M.; Stringer, Bradley D.; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Barbante, Gregory J.; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Tuning the electrochemiluminescent properties of iridium complexes of N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","653","663","10.1039/c8dt04433c","","","0.71073","MoKα","","0.0233","0.0204","","","0.05","0.0517","","","","","","1.071","","","","has coordinates","224133","2020-10-21","18:00:00",""
"7048309","9.0031","0.0003","12.7459","0.0004","15.406","0.0005","104.264","0.003","105.973","0.003","98.494","0.002","1602.56","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl F4 Ir N5 -","- C36 H29 Cl F4 Ir N5 -","- C72 H58 Cl2 F8 Ir2 N10 -","2","1","","Quan, Linh M.; Stringer, Bradley D.; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Barbante, Gregory J.; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.","Tuning the electrochemiluminescent properties of iridium complexes of N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","653","663","10.1039/c8dt04433c","","","0.71073","MoKα","","0.0244","0.0209","","","0.0473","0.0492","","","","","","1.042","","","","has coordinates","224133","2020-10-21","18:00:00",""
"7048310","16.3974","0.0009","19.6444","0.0011","17.5409","0.001","90","","93.055","0.001","90","","5642.2","0.5","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 N6 Na2 O79 Re2 Te2 W20 -","- C30 H72 N6 Na2 O79 Re2 Te2 W20 -","- C60 H144 N12 Na4 O158 Re4 Te4 W40 -","2","0.5","","Lu, Jingkun; Ma, Xinyi; Wang, Ping; Feng, Junwei; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Synthesis, characterization and catalytic epoxidation properties of a new tellurotungstate(iv)-supported rhenium carbonyl derivative.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","628","634","10.1039/c8dt04195d","","","0.71073","MoKα","","0.0735","0.0532","","","0.1148","0.1235","","","","","","1.106","","","","has coordinates","224136","2020-10-21","18:00:00",""
"7048311","11.6998","0.0006","12.5493","0.0007","13.7516","0.0007","83.963","0.002","69.351","0.002","89.471","0.002","1878.04","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 Ag Cu F9 O P -","- C36 H50 Ag Cu F9 O P -","- C72 H100 Ag2 Cu2 F18 O2 P2 -","2","1","","Xiao, Chang; Zhang, Song-Lin","Isolation of OH-bridged Ag(i)/Cu(iii) and ion-pair Cu(i)/Cu(iii) trifluoromethyl complexes with monophosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","848","853","10.1039/c8dt03876g","","","0.71073","MoKα","","0.0339","0.0283","","","0.0825","0.0868","","","","","","1.018","","","","has coordinates","224586","2020-10-21","18:00:00",""
"7048312","14.4378","0.0016","21.135","0.002","11.9539","0.001","90","","98.084","0.003","90","","3611.4","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl K3 N3 O28 Ti3 -","- C21 H18 Cl0.9999 K3 N3 O28 Ti3 -","- C84 H72 Cl3.9996 K12 N12 O112 Ti12 -","4","1","","Li, Caixia; Tao, Ran; Jin, Zhanbin; Li, Fengyan; Fang, Wencheng; Xu, Lin","A layered titanium(iv)-peroxo-pyridine dicarboxylic cluster: crystal structure and photoelectrochemical sensing of dopamine.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1175","1178","10.1039/c8dt04495c","","","0.71073","MoKα","","0.1122","0.0588","","","0.1156","0.1391","","","","","","0.99","","","","has coordinates","224083","2020-10-21","18:00:00",""
"7048317","27.813","0.0005","19.4794","0.0003","19.1878","0.0003","90","","130.22","0.001","90","","7937.8","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H37 Cl3 O2 P2 Pt S2 -","- C41 H37 Cl3 O2 P2 Pt S2 -","- C328 H296 Cl24 O16 P16 Pt8 S16 -","8","1","","Hildebrandt, Jana; Trautwein, Ralf; Kritsch, Daniel; Häfner, Norman; Görls, Helmar; Dürst, Matthias; Runnebaum, Ingo B.; Weigand, Wolfgang","Synthesis, characterization and biological investigation of platinum(ii) complexes with asparagusic acid derivatives as ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","936","944","10.1039/c8dt02553c","","","0.71073","MoKα","","0.0591","0.0425","","","0.0799","0.0864","","","","","","1.085","","","","has coordinates","224583","2020-10-21","18:00:00",""
"7048318","21.7853","0.0003","15.5909","0.0003","26.9714","0.0004","90","","105.256","0.001","90","","8838.1","0.3","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H48 O4 P2 Pt Se2 -","- C48.5 H48 O4 P2 Pt Se2 -","- C388 H384 O32 P16 Pt8 Se16 -","8","2","","Hildebrandt, Jana; Trautwein, Ralf; Kritsch, Daniel; Häfner, Norman; Görls, Helmar; Dürst, Matthias; Runnebaum, Ingo B.; Weigand, Wolfgang","Synthesis, characterization and biological investigation of platinum(ii) complexes with asparagusic acid derivatives as ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","936","944","10.1039/c8dt02553c","","","0.71073","MoKα","","0.108","0.0434","","","0.0764","0.0928","","","","","","0.935","","","","has coordinates","224583","2020-10-21","18:00:00",""
"7048319","14.275","0.002","7.9205","0.0011","18.698","0.003","90","","103.08","0.002","90","","2059.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl5 O W -","- C19 H15 Cl5 O W -","- C76 H60 Cl20 O4 W4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio","Straightforward formation of carbocations from tertiary carboxylic acids via CO release at room temperature.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1574","1577","10.1039/c8dt04416c","","","0.71073","MoKα","","0.0441","0.0374","","","0.0845","0.0875","","","","","","1.076","","","","has coordinates","224003","2020-10-21","18:00:00",""
"7048320","11.0309","0.0003","17.4337","0.0005","11.3811","0.0003","90","","111.847","0.002","90","","2031.5","0.1","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio","Straightforward formation of carbocations from tertiary carboxylic acids via CO release at room temperature.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1574","1577","10.1039/c8dt04416c","","","0.71073","MoKα","","0.0592","0.0406","","","0.0974","0.1099","","","","","","1.024","","","","has coordinates","224003","2020-10-21","18:00:00",""
"7048321","10.7935","0.0006","15.5987","0.0009","17.0524","0.0011","82.036","0.006","88.284","0.006","74.438","0.005","2739","0.3","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C55 H52 Cl4 F3 N4 O3 P2 Rh Ru S -","- C55 H50 Cl4 F3 N4 O3 P2 Rh Ru S -","- C110 H100 Cl8 F6 N8 O6 P4 Rh2 Ru2 S2 -","2","1","","Takemoto, Shin; Kitamura, Manami; Saruwatari, Shuhei; Isono, Atsutaka; Takada, Yoko; Nishimori, Rie; Tsujiwaki, Mina; Sakaue, Naoki; Matsuzaka, Hiroyuki","Bis(bipyridine) ruthenium(ii) bis(phosphido) metalloligand: synthesis of heterometallic complexes and application to catalytic (E)-selective alkyne semi-hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1161","1165","10.1039/c8dt04646h","","","0.71075","MoKα","","0.094","0.0578","","","0.1328","0.1489","","","","","","1.022","","","","has coordinates","224082","2020-10-21","18:00:00",""
"7048322","33.05","0.003","16.3313","0.0011","22.7509","0.0016","90","","123.565","0.009","90","","10232.2","1.7","173","","173","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C106 H108 B2 Cl4 Cu2 F8 N8 O4 P4 Ru2 -","- C106 H108 B2 Cl4 Cu2 F8 N8 O4 P4 Ru2 -","- C424 H432 B8 Cl16 Cu8 F32 N32 O16 P16 Ru8 -","4","0.5","","Takemoto, Shin; Kitamura, Manami; Saruwatari, Shuhei; Isono, Atsutaka; Takada, Yoko; Nishimori, Rie; Tsujiwaki, Mina; Sakaue, Naoki; Matsuzaka, Hiroyuki","Bis(bipyridine) ruthenium(ii) bis(phosphido) metalloligand: synthesis of heterometallic complexes and application to catalytic (E)-selective alkyne semi-hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1161","1165","10.1039/c8dt04646h","","","0.71075","MoKα","","0.0712","0.0489","","","0.1296","0.1427","","","","","","1.043","","","","has coordinates","224082","2020-10-21","18:00:00",""
"7048323","9.9222","0.0008","11.307","0.001","15.2175","0.0013","97.2105","0.0011","98.8142","0.0011","107.505","0.0011","1582.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H47 Cl2 N4 P2 Re -","- C24 H47 Cl2 N4 P2 Re -","- C48 H94 Cl4 N8 P4 Re2 -","2","1","","Tadokoro, Makoto; Isogai, Kazuo; Harada, Shohei; Kouchi, Takaya; Yamane, Takeshi; Sugaya, Tomoaki; Kamebuchi, Hajime","Evidence of proton-coupled mixed-valency by electrochemical behavior on transition metal complex dimers bridged by two Ag<sup>+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","535","546","10.1039/c8dt03962c","","","0.71073","MoKα","","0.0267","0.0253","","","0.0632","0.0641","","","","","","1.09","","","","has coordinates","224121","2020-10-21","18:00:00",""
"7048324","45.768","0.005","25.407","0.003","33.927","0.004","90","","104.095","0.002","90","","38264","8","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H282 Cl12 N24 Os6 P12 -","- C144 H282 Cl12 N24 Os6 P12 -","- C1152 H2256 Cl96 N192 Os48 P96 -","8","1","","Tadokoro, Makoto; Isogai, Kazuo; Harada, Shohei; Kouchi, Takaya; Yamane, Takeshi; Sugaya, Tomoaki; Kamebuchi, Hajime","Evidence of proton-coupled mixed-valency by electrochemical behavior on transition metal complex dimers bridged by two Ag<sup>+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","535","546","10.1039/c8dt03962c","","","0.71073","MoKα","","0.1154","0.0613","","","0.1193","0.143","","","","","","0.98","","","","has coordinates","224121","2020-10-21","18:00:00",""
"7048325","16.1348","0.0013","37.674","0.003","23.0683","0.0019","90","","90","","90","","14022","2","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C96 H184 Ag4 Cl8 N16 P8 Re4 -","- C96 H184 Ag4 Cl8 N16 P8 Re4 -","- C384 H736 Ag16 Cl32 N64 P32 Re16 -","4","1","","Tadokoro, Makoto; Isogai, Kazuo; Harada, Shohei; Kouchi, Takaya; Yamane, Takeshi; Sugaya, Tomoaki; Kamebuchi, Hajime","Evidence of proton-coupled mixed-valency by electrochemical behavior on transition metal complex dimers bridged by two Ag<sup>+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","535","546","10.1039/c8dt03962c","","","0.71073","MoKα","","0.1034","0.0528","","","0.1003","0.11","","","","","","0.936","","","","has coordinates","224121","2020-10-21","18:00:00",""
"7048326","16.5298","0.0016","18.9862","0.0019","24.131","0.002","77.147","0.002","72.796","0.001","89.845","0.002","7036.9","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H184 Ag4 Cl8 N16 Os4 P8 -","- C96 H184 Ag4 Cl8 N16 Os4 P8 -","- C192 H368 Ag8 Cl16 N32 Os8 P16 -","2","1","","Tadokoro, Makoto; Isogai, Kazuo; Harada, Shohei; Kouchi, Takaya; Yamane, Takeshi; Sugaya, Tomoaki; Kamebuchi, Hajime","Evidence of proton-coupled mixed-valency by electrochemical behavior on transition metal complex dimers bridged by two Ag<sup>+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","535","546","10.1039/c8dt03962c","","","0.71073","MoKα","","0.0689","0.0475","","","0.1371","0.1545","","","","","","0.962","","","","has coordinates","224121","2020-10-21","18:00:00",""
"7048327","8.7183","0.0016","9.4583","0.0018","14.634","0.003","72.424","0.003","86.889","0.004","65.525","0.003","1043.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl N2 O8 Zn -","- C20 H19 Cl N2 O8 Zn -","- C40 H38 Cl2 N4 O16 Zn2 -","2","1","","Shi, Qing; Wu, Shi-Yu; Qiu, Xing-Tai; Sun, Yan-Qiong; Zheng, Shou-Tian","Three viologen-derived Zn-organic materials: photochromism, photomodulated fluorescence, and inkless and erasable prints.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","954","963","10.1039/c8dt04393k","","","0.71073","MoKα","","0.0389","0.0315","","","0.073","0.0766","","","","","","1.032","","","","has coordinates","224589","2020-10-21","18:00:00",""
"7048328","11.8799","0.0005","12.1277","0.0005","20.5165","0.0009","99.407","0.001","96.491","0.001","92.289","0.001","2892.3","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H41 N4 O28 Zn3 -","- C51 H41 N4 O28 Zn3 -","- C102 H82 N8 O56 Zn6 -","2","1","","Shi, Qing; Wu, Shi-Yu; Qiu, Xing-Tai; Sun, Yan-Qiong; Zheng, Shou-Tian","Three viologen-derived Zn-organic materials: photochromism, photomodulated fluorescence, and inkless and erasable prints.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","954","963","10.1039/c8dt04393k","","","0.71073","MoKα","","0.0424","0.0332","","","0.0875","0.0911","","","","","","1.066","","","","has coordinates","224589","2020-10-21","18:00:00",""
"7048329","26.415","0.006","13.808","0.003","13.183","0.003","90","","90","","90","","4808.3","1.9","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H36 N4 O20 Zn4 -","- C48 H34 N4 O20 Zn4 -","- C192 H136 N16 O80 Zn16 -","4","1","","Shi, Qing; Wu, Shi-Yu; Qiu, Xing-Tai; Sun, Yan-Qiong; Zheng, Shou-Tian","Three viologen-derived Zn-organic materials: photochromism, photomodulated fluorescence, and inkless and erasable prints.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","954","963","10.1039/c8dt04393k","","","0.71073","MoKα","","0.0393","0.0345","","","0.0824","0.0849","","","","","","1.036","","","","has coordinates","224589","2020-10-21","18:00:00",""
"7048330","27.2797","0.0002","30.1904","0.0003","11.6508","0.0001","90","","91.352","0.001","90","","9592.75","0.14","100","0.2","100","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl)(phenyl)methanone) ((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetrafluoro?borate","","- C55 H42 B Cu F4 N4 O2 P2 -","- C55 H42 B Cu F4 N4 O2 P2 -","- C440 H336 B8 Cu8 F32 N32 O16 P16 -","8","2","","Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong","A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1179","1183","10.1039/c8dt04360d","","x-ray","1.54184","CuKα","","0.0672","0.0612","","","0.1488","0.1518","","","","","","1.171","","","","has coordinates,has disorder","224076","2020-10-21","18:00:00",""
"7048331","14.541","0.0005","15.2405","0.0004","16.9377","0.0006","96.877","0.003","106.932","0.003","113.006","0.003","3186.9","0.2","99.99","0.17","99.99","0.17","","","","","","","","9","P -1","-P 1","2","","((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone)((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetra-fluoroborate, mono-dichloromethane","","- C68 H51 B Cl2 Cu F4 N5 O3 P2 -","- C68 H51 B Cl2 Cu F4 N5 O3 P2 -","- C136 H102 B2 Cl4 Cu2 F8 N10 O6 P4 -","2","1","","Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong","A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1179","1183","10.1039/c8dt04360d","","x-ray","1.54184","CuKα","","0.0508","0.0432","","","0.1197","0.1265","","","","","","1.022","","","","has coordinates","224076","2020-10-21","18:00:00",""
"7048332","17.7416","0.0004","5.5858","0.0001","24.5679","0.0008","90","","102.175","0.003","90","","2379.94","0.11","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(1'H-[1,3'-bipyrazol]-1'-yl) phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone","","- C31 H21 N5 O2 -","- C31 H21 N5 O2 -","- C124 H84 N20 O8 -","4","1","","Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong","A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1179","1183","10.1039/c8dt04360d","","x-ray","1.54184","CuKα","","0.0452","0.0369","","","0.0883","0.0943","","","","","","1.058","","","","has coordinates","224076","2020-10-21","18:00:00",""
"7048333","14.8651","0.0007","15.2844","0.0006","16.91","0.0005","96.249","0.003","107.674","0.003","114.228","0.004","3215.5","0.3","100","0.16","100","0.16","","","","","","","","8","P -1","-P 1","2","","((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone)((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetra-fluoroborate","","- C67 H49 B Cu F4 N5 O3 P2 -","- C67 H49 B Cu F4 N5 O3 P2 -","- C134 H98 B2 Cu2 F8 N10 O6 P4 -","2","1","","Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong","A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1179","1183","10.1039/c8dt04360d","","x-ray","1.54184","CuKα","","0.0429","0.0353","","","0.0885","0.0933","","","","","","1.037","","","","has coordinates","224076","2020-10-21","18:00:00",""
"7048334","7.7406","0.0017","10.942","0.003","10.945","0.003","106.608","0.005","92.5406","0.0011","100.923","0.004","867.5","0.4","103","","103","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cr2 F8 O10 -","- C36 H28 Cr2 F8 O10 -","- C36 H28 Cr2 F8 O10 -","1","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.0431","0.0357","","","0.0857","0.092","","","","","","1.055","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048335","9.6371","0.0012","11.3166","0.0013","16.746","0.002","90","","100.352","0.0013","90","","1796.6","0.4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cr2 F12 O10 -","- C36 H24 Cr2 F12 O10 -","- C72 H48 Cr4 F24 O20 -","2","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.0301","0.0284","","","0.0756","0.0767","","","","","","1.052","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048336","10.718","0.009","10.847","0.008","16.129","0.012","90","","94.519","0.014","90","","1869","3","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cr2 F8 O10 -","- C36 H20 Cr2 F8 O10 -","- C72 H40 Cr4 F16 O20 -","2","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.116","0.0851","","","0.1839","0.2035","","","","","","1.118","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048337","9.0987","0.0012","10.519","0.0016","12.2273","0.0019","81.196","0.006","74.405","0.006","73.368","0.005","1076.3","0.3","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H58 Cr2 O10 -","- C46 H58 Cr2 O10 -","- C46 H58 Cr2 O10 -","1","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.0594","0.0478","","","0.1195","0.1275","","","","","","1.037","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048338","8.822","0.003","16.921","0.006","13.021","0.005","90","","109.56","0.005","90","","1831.6","1.1","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Cr2 F16 O10 -","- C36 H20 Cr2 F16 O10 -","- C72 H40 Cr4 F32 O20 -","2","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.0788","0.0526","","","0.1032","0.1156","","","","","","1.066","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048339","14.874","0.003","15.244","0.003","18.47","0.004","90","","95.212","0.004","90","","4170.6","1.5","103","","103","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 Cr2 F12 O11 -","- C40 H22 Cr2 F12 O11 -","- C160 H88 Cr8 F48 O44 -","4","1","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.0993","0.0745","","","0.1943","0.2251","","","","","","1.083","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048340","9.429","0.006","11.203","0.007","17.198","0.011","90","","101.896","0.01","90","","1778","2","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cr2 F8 O10 -","- C36 H28 Cr2 F8 O10 -","- C72 H56 Cr4 F16 O20 -","2","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.1267","0.0889","","","0.1749","0.1966","","","","","","1.115","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048341","9.122","0.0014","17.927","0.003","11.1326","0.0017","90","","109.334","0.0019","90","","1717.8","0.5","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cr2 F4 O10 -","- C36 H32 Cr2 F4 O10 -","- C72 H64 Cr4 F8 O20 -","2","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.049","0.0471","","","0.1196","0.1215","","","","","","1.061","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048342","19.18","0.02","9.262","0.008","21.08","0.02","90","","111.82","0.012","90","","3476","6","103","","103","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cr2 F4 O10 -","- C36 H28 Cr2 F4 O10 -","- C144 H112 Cr8 F16 O40 -","4","0.5","","Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi","Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","908","914","10.1039/c8dt04347g","","","0.71075","MoKα","","0.1004","0.0886","","","0.2145","0.236","","","","","","1.088","","","","has coordinates","224591","2020-10-21","18:00:00",""
"7048343","18.55","0.0002","17.9339","0.0002","18.7239","0.0002","90","","103.236","0.001","90","","6063.48","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B Cl F20 Mg N2 -","- C65 H58 B Cl F20 Mg N2 -","- C260 H232 B4 Cl4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Elsen, Holger; Harder, Sjoerd","Bulky cationic β-diketiminate magnesium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5560","5568","10.1039/c8dt03576h","","x-ray","1.54184","CuKα","","0.0456","0.0427","","","0.1155","0.1188","","","","","","1.03","","","","has coordinates","224119","2020-10-21","18:00:00",""
"7048344","18.3516","0.0003","17.6435","0.0003","18.8442","0.0003","90","","93.992","0.0014","90","","6086.69","0.17","99.98","0.16","99.98","0.16","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H63 B F20 Mg N2 -","- C67 H63 B F20 Mg N2 -","- C268 H252 B4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Elsen, Holger; Harder, Sjoerd","Bulky cationic β-diketiminate magnesium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5560","5568","10.1039/c8dt03576h","","x-ray","1.54184","CuKα","","0.0558","0.049","","","0.1286","0.1363","","","","","","1.017","","","","has coordinates","224119","2020-10-21","18:00:00",""
"7048345","17.6212","0.0004","17.7017","0.0005","19.053","0.0004","90","","90.265","0.002","90","","5943","0.2","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H59 B F20 Mg N2 -","- C65 H59 B F20 Mg N2 -","- C260 H236 B4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Elsen, Holger; Harder, Sjoerd","Bulky cationic β-diketiminate magnesium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5560","5568","10.1039/c8dt03576h","","x-ray","1.54184","CuKα","","0.0605","0.0479","","","0.1287","0.1426","","","","","","1.03","","","","has coordinates","224119","2020-10-21","18:00:00",""
"7048346","9.4523","0.0008","18.8574","0.0016","18.6567","0.0016","90","","91.129","0.002","90","","3324.8","0.5","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 F18 Mg N O7 -","- C26 H27 F18 Mg N O7 -","- C104 H108 F72 Mg4 N4 O28 -","4","1","","Lethesh, Kallidanthiyil Chellappan; Øien-Ødegaard, Sigurd; Jayasayee, Kaushik; Fiksdahl, Anne","Synthesis of magnesium complexes of ionic liquids with highly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","982","988","10.1039/c8dt04364g","","","0.71073","MoKα","","0.0672","0.0445","","","0.1066","0.1188","","","","","","1.033","","","","has coordinates,has disorder","224581","2020-10-21","18:00:00",""
"7048347","9.5379","0.0007","10.9322","0.0008","15.1147","0.001","81.617","0.001","86.002","0.001","72.564","0.001","1486.97","0.18","100","2","99.96","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F18 Mg N O6 -","- C24 H17 F18 Mg N O6 -","- C48 H34 F36 Mg2 N2 O12 -","2","1","","Lethesh, Kallidanthiyil Chellappan; Øien-Ødegaard, Sigurd; Jayasayee, Kaushik; Fiksdahl, Anne","Synthesis of magnesium complexes of ionic liquids with highly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","982","988","10.1039/c8dt04364g","","","0.71073","MoKα","","0.0511","0.0387","","","0.0992","0.1081","","","","","","1.049","","","","has coordinates,has disorder","224581","2020-10-21","18:00:00",""
"7048348","18.549","0.002","18.597","0.002","20.171","0.002","90","","111.444","0.002","90","","6476.4","1.2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 F18 Mg N O6 -","- C25 H25 F18 Mg N O6 -","- C200 H200 F144 Mg8 N8 O48 -","8","2","","Lethesh, Kallidanthiyil Chellappan; Øien-Ødegaard, Sigurd; Jayasayee, Kaushik; Fiksdahl, Anne","Synthesis of magnesium complexes of ionic liquids with highly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","982","988","10.1039/c8dt04364g","","","0.71073","MoKα","","0.0905","0.0663","","","0.1783","0.2035","","","","","","1.021","","","","has coordinates,has disorder","224581","2020-10-21","18:00:00",""
"7048349","9.0058","0.0008","17.6783","0.0015","20.1473","0.0017","74.18","0.002","86.894","0.002","89.008","0.002","3081.6","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F18 Mg N2 O6 -","- C23 H18 F18 Mg N2 O6 -","- C92 H72 F72 Mg4 N8 O24 -","4","2","","Lethesh, Kallidanthiyil Chellappan; Øien-Ødegaard, Sigurd; Jayasayee, Kaushik; Fiksdahl, Anne","Synthesis of magnesium complexes of ionic liquids with highly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","982","988","10.1039/c8dt04364g","","","0.71073","MoKα","","0.0887","0.0538","","","0.1101","0.1239","","","","","","1.017","","","","has coordinates,has disorder","224581","2020-10-21","18:00:00",""
"7048350","9.4058","0.0003","14.5684","0.0005","35.3521","0.0011","90","","94.482","0.001","90","","4829.4","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","complex of copper(I) iodide with methyltri(pyridin-2-yl)phosphonium iodide","","- C36 H36 Cu4 I6 N8 P2 -","- C36 H36 Cu4 I6 N8 P2 -","- C144 H144 Cu16 I24 N32 P8 -","4","1","","Artem'ev, Alexander V.; Pritchina, Elena A.; Rakhmanova, Marianna I.; Gritsan, Nina P.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Alkyl-dependent self-assembly of the first red-emitting zwitterionic {Cu<sub>4</sub>I<sub>6</sub>} clusters from [alkyl-P(2-Py)<sub>3</sub>]<sup>+</sup> salts and CuI: when size matters.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2328","2337","10.1039/c8dt04328k","","","0.71073","MoKα","","0.0416","0.0296","","","0.0787","0.0858","","","","","","1.043","","","","has coordinates","224304","2020-10-21","18:00:00",""
"7048351","10.2369","0.0013","11.99","0.0014","12.2061","0.0015","118.729","0.005","93.281","0.006","107.283","0.006","1218.1","0.3","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","complex of copper(I) iodide with butyltri(pyridin-2-yl)phosphonium iodide","","- C38 H42 Cu4 I6 N6 P2 -","- C38 H42 Cu4 I6 N6 P2 -","- C38 H42 Cu4 I6 N6 P2 -","1","0.5","","Artem'ev, Alexander V.; Pritchina, Elena A.; Rakhmanova, Marianna I.; Gritsan, Nina P.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Alkyl-dependent self-assembly of the first red-emitting zwitterionic {Cu<sub>4</sub>I<sub>6</sub>} clusters from [alkyl-P(2-Py)<sub>3</sub>]<sup>+</sup> salts and CuI: when size matters.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2328","2337","10.1039/c8dt04328k","","","0.71073","MoKα","","0.076","0.0639","","","0.1602","0.1792","","","","","","1.043","","","","has coordinates,has disorder","224304","2020-10-21","18:00:00",""
"7048352","10.1053","0.0004","12.2864","0.0005","12.3397","0.0006","118.947","0.002","92.187","0.002","107.225","0.002","1249.98","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","complex of copper(I) iodide with benzyltri(pyridin-2-yl)phosphonium iodide","","- C44 H38 Cu4 I6 N6 P2 -","- C44 H38 Cu4 I6 N6 P2 -","- C44 H38 Cu4 I6 N6 P2 -","1","0.5","","Artem'ev, Alexander V.; Pritchina, Elena A.; Rakhmanova, Marianna I.; Gritsan, Nina P.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Alkyl-dependent self-assembly of the first red-emitting zwitterionic {Cu<sub>4</sub>I<sub>6</sub>} clusters from [alkyl-P(2-Py)<sub>3</sub>]<sup>+</sup> salts and CuI: when size matters.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2328","2337","10.1039/c8dt04328k","","","0.71073","MoKα","","0.0318","0.0293","","","0.0802","0.0829","","","","","","1.057","","","","has coordinates","224304","2020-10-21","18:00:00",""
"7048353","23.5747","0.0006","12.1144","0.0004","17.7008","0.0005","90","","114.187","0.001","90","","4611.4","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","complex of copper(I) iodide with propyltri(pyridin-2-yl)phosphonium iodide","","- C36 H38 Cu4 I6 N6 P2 -","- C36 H38 Cu4 I6 N6 P2 -","- C144 H152 Cu16 I24 N24 P8 -","4","0.5","","Artem'ev, Alexander V.; Pritchina, Elena A.; Rakhmanova, Marianna I.; Gritsan, Nina P.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Alkyl-dependent self-assembly of the first red-emitting zwitterionic {Cu<sub>4</sub>I<sub>6</sub>} clusters from [alkyl-P(2-Py)<sub>3</sub>]<sup>+</sup> salts and CuI: when size matters.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2328","2337","10.1039/c8dt04328k","","","0.71073","MoKα","","0.023","0.0199","","","0.0437","0.0447","","","","","","1.081","","","","has coordinates","224304","2020-10-21","18:00:00",""
"7048356","30.935","0.003","6.1805","0.0005","15.124","0.0014","90","","108.124","0.004","90","","2748.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6d","","- C16 H12 Mn N O4 -","- C16 H12 Mn N O4 -","- C128 H96 Mn8 N8 O32 -","8","1","","Oyarzo, Juan; Bosque, Ramón; Toro, Patricia; Silva, Carlos P.; Arancibia, Rodrigo; Font-Bardía, Mercè; Artigas, Vania; Calvis, Carme; Messeguer, Ramon; Klahn, A. Hugo; López, Concepción","A novel type of organometallic 2-R-2,4-dihydro-1H-3,1-benzoxazine with R = [M(η<sup>5</sup>-C<sub>5</sub>H<sub>4</sub>)(CO)<sub>3</sub>] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1023","1039","10.1039/c8dt03265c","","","0.71073","MoKα","","0.0609","0.0458","","","0.1183","0.1227","","","","","","1.06","","","","has coordinates","224588","2020-10-21","18:00:00",""
"7048357","15.3555","0.0007","6.1536","0.0003","29.7559","0.0013","90","","90","","90","","2811.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6c","","- C16 H12 N O4 Re -","- C16 H12 N O4 Re -","- C128 H96 N8 O32 Re8 -","8","2","","Oyarzo, Juan; Bosque, Ramón; Toro, Patricia; Silva, Carlos P.; Arancibia, Rodrigo; Font-Bardía, Mercè; Artigas, Vania; Calvis, Carme; Messeguer, Ramon; Klahn, A. Hugo; López, Concepción","A novel type of organometallic 2-R-2,4-dihydro-1H-3,1-benzoxazine with R = [M(η<sup>5</sup>-C<sub>5</sub>H<sub>4</sub>)(CO)<sub>3</sub>] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1023","1039","10.1039/c8dt03265c","","","0.71073","MoKα","","0.0439","0.0359","","","0.0791","0.0822","","","","","","1.059","","","","has coordinates","224588","2020-10-21","18:00:00",""
"7048358","5.9213","0.0002","7.5337","0.0003","16.2535","0.0007","90","","96.7714","0.0015","90","","720","0.05","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","6a","","- C18 H17 Fe N O -","- C18 H17 Fe N O -","- C36 H34 Fe2 N2 O2 -","2","1","","Oyarzo, Juan; Bosque, Ramón; Toro, Patricia; Silva, Carlos P.; Arancibia, Rodrigo; Font-Bardía, Mercè; Artigas, Vania; Calvis, Carme; Messeguer, Ramon; Klahn, A. Hugo; López, Concepción","A novel type of organometallic 2-R-2,4-dihydro-1H-3,1-benzoxazine with R = [M(η<sup>5</sup>-C<sub>5</sub>H<sub>4</sub>)(CO)<sub>3</sub>] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1023","1039","10.1039/c8dt03265c","","","0.71073","MoKα","","0.0247","0.0229","","","0.0559","0.0569","","","","","","0.968","","","","has coordinates,has disorder","224588","2020-10-21","18:00:00",""
"7048361","8.6838","0.0008","33.813","0.003","9.7383","0.0009","90","","104.186","0.005","90","","2772.2","0.4","297","2","297.17","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H26 Cl2 Cu2 N2 O14 S2 -","- C17 H30 Cl2 Cu2 N2 O14 S2 -","- C68 H120 Cl8 Cu8 N8 O56 S8 -","4","1","","Das, Manisha; Afsan, Zeenat; Basak, Dipmalya; Arjmand, Farukh; Ray, Debashis","Thioether sulfur-bound [Cu<sub>2</sub>] complexes showing catechol oxidase activity and DNA cleaving behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1292","1313","10.1039/c8dt04183k","","","0.71073","MoKα","","0.0544","0.0462","","","0.1252","0.1326","","","","","","1.03","","","","has coordinates","224087","2020-10-21","18:00:00",""
"7048362","8.637","0.003","12.523","0.004","13.642","0.006","77.99","0.02","89.17","0.03","78.25","0.02","1412.4","0.9","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Cl2 Cu2 N2 O11 S2 -","- C23 H24 Cl2 Cu2 N2 O11 S2 -","- C46 H48 Cl4 Cu4 N4 O22 S4 -","2","1","","Das, Manisha; Afsan, Zeenat; Basak, Dipmalya; Arjmand, Farukh; Ray, Debashis","Thioether sulfur-bound [Cu<sub>2</sub>] complexes showing catechol oxidase activity and DNA cleaving behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1292","1313","10.1039/c8dt04183k","","","0.71073","MoKα","","0.0378","0.0276","","","0.0762","0.0805","","","","","","1.079","","","","has coordinates","224087","2020-10-21","18:00:00",""
"7048363","8.566","0.007","12.777","0.012","13.867","0.007","99.18","0.06","91.21","0.06","104.27","0.08","1449","2","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl2 Cu2 N2 O11 S2 -","- C24 H26 Cl2 Cu2 N2 O11 S2 -","- C48 H52 Cl4 Cu4 N4 O22 S4 -","2","1","","Das, Manisha; Afsan, Zeenat; Basak, Dipmalya; Arjmand, Farukh; Ray, Debashis","Thioether sulfur-bound [Cu<sub>2</sub>] complexes showing catechol oxidase activity and DNA cleaving behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1292","1313","10.1039/c8dt04183k","","","0.71073","MoKα","","0.118","0.055","","","0.1297","0.1585","","","","","","1.068","","","","has coordinates","224087","2020-10-21","18:00:00",""
"7048364","15.0449","0.0007","14.233","0.0007","29.2644","0.0013","90","","94.589","0.001","90","","6246.4","0.5","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 F12 N6 O9 P2 Pd S4 Zn -","- C50 H68 F12 N6 O9 P2 Pd S4 Zn -","- C200 H272 F48 N24 O36 P8 Pd4 S16 Zn4 -","4","1","","Steinhoff, Patrick; Paul, Melanie; Schroers, Julian P.; Tauchert, Michael E.","Highly efficient palladium-catalysed carbon dioxide hydrosilylation employing PMP ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1017","1022","10.1039/c8dt03777a","","","0.71073","MoKα","","0.0397","0.0307","","","0.0717","0.0756","","","","","","1.02","","","","has coordinates","224584","2020-10-21","18:00:00",""
"7048365","14.6156","0.0008","19.4178","0.001","40.0329","0.0019","90","","99.083","0.001","90","","11219","1","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 F3 Li N4.5 O2 P2 Pd S -","- C43 H60 F3 Li N4.5 O2 P2 Pd S -","- C344 H480 F24 Li8 N36 O16 P16 Pd8 S8 -","8","1","","Steinhoff, Patrick; Paul, Melanie; Schroers, Julian P.; Tauchert, Michael E.","Highly efficient palladium-catalysed carbon dioxide hydrosilylation employing PMP ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1017","1022","10.1039/c8dt03777a","","","0.71073","MoKα","","0.0907","0.0784","","","0.1889","0.1976","","","","","","1.039","","","","has coordinates,has disorder","224584","2020-10-21","18:00:00",""
"7048366","13.7809","0.001","16.7029","0.0012","26.0578","0.0018","87.104","0.001","89.945","0.001","77.848","0.001","5855.8","0.7","100","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H64 F12 N6 O9 P2 S4 Zn -","- C47 H64 F12 N6 O9 P2 S4 Zn -","- C188 H256 F48 N24 O36 P8 S16 Zn4 -","4","2","","Steinhoff, Patrick; Paul, Melanie; Schroers, Julian P.; Tauchert, Michael E.","Highly efficient palladium-catalysed carbon dioxide hydrosilylation employing PMP ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1017","1022","10.1039/c8dt03777a","","","0.71073","MoKα","","0.0725","0.0466","","","0.0998","0.1097","","","","","","1.045","","","","has coordinates","224584","2020-10-21","18:00:00",""
"7048367","17.031","0.002","17.031","0.002","17.184","0.003","90","","90","","90","","4984.3","1.2","293","2","293","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C37 H49 Cl2 N17 Ni2 O9 -","- C28 H20 Cl N14 Ni2 O6 -","- C112 H80 Cl4 N56 Ni8 O24 -","4","0.25","","Liu, Shuang; Yao, Shuo; Liu, Bing; Sun, Xiaodong; Yuan, Yang; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Two ultramicroporous metal-organic frameworks assembled from binuclear secondary building units for highly selective CO<sub>2</sub>/N<sub>2</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1680","1685","10.1039/c8dt04424d","","","0.71073","MoKα","","0.052","0.0486","","","0.1411","0.1439","","","","","","1.066","","","","has coordinates,has disorder","224009","2020-10-21","18:00:00",""
"7048368","17.274","0.002","17.274","0.002","17.178","0.003","90","","90","","90","","5125.8","1.2","293","2","293","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C37 H41 Cl Co2 N17 O9 -","- C28 H14 Cl Co2 N14 O6 -","- C112 H56 Cl4 Co8 N56 O24 -","4","0.25","","Liu, Shuang; Yao, Shuo; Liu, Bing; Sun, Xiaodong; Yuan, Yang; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Two ultramicroporous metal-organic frameworks assembled from binuclear secondary building units for highly selective CO<sub>2</sub>/N<sub>2</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1680","1685","10.1039/c8dt04424d","","","0.71073","MoKα","","0.0535","0.0464","","","0.1419","0.1462","","","","","","1.103","","","","has coordinates","224009","2020-10-21","18:00:00",""
"7048369","15.8566","0.0006","7.8896","0.0003","17.8929","0.0007","90","","106.539","0.001","90","","2145.83","0.14","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H38 Cu N8 O14 -","- C46 H30 Cu N8 O14 -","- C92 H60 Cu2 N16 O28 -","2","0.5","","Tsai, Meng-Jung; Luo, Jheng-Hua; Wu, Jing-Yun","Two-fold 2D + 2D →2D interweaved rhombus (4,4) grid: synthesis, structure, and dye removal properties in darkness and in daylight.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1095","1107","10.1039/c8dt04170a","","","0.71073","MoKα","","0.066","0.0564","","","0.149","0.1586","","","","","","1.059","","","","has coordinates,has disorder","224585","2020-10-21","18:00:00",""
"7048370","8.9069","0.0008","13.7152","0.0012","15.0922","0.0013","90","","101.607","0.002","90","","1806","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl2 N Ti -","- C18 H23 Cl2 N Ti -","- C72 H92 Cl8 N4 Ti4 -","4","2","","Fischer, Malte; Steinert, Henning; Schmidtmann, Marc; Beckhaus, Ruediger","Teaching c-phosphanylimines the titanaaziridine coordination mode.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1936","1940","10.1039/c8dt04918a","","","0.71073","MoKα","","0.0393","0.0325","","","0.0701","0.0732","","","","","","1.045","","","","has coordinates,has disorder","224147","2020-10-21","18:00:00",""
"7048371","10.7515","0.0004","16.5847","0.0006","16.1243","0.0006","90","","108.888","0.001","90","","2720.31","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl N P Ti -","- C30 H33 Cl N P Ti -","- C120 H132 Cl4 N4 P4 Ti4 -","4","1","","Fischer, Malte; Steinert, Henning; Schmidtmann, Marc; Beckhaus, Ruediger","Teaching c-phosphanylimines the titanaaziridine coordination mode.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1936","1940","10.1039/c8dt04918a","","","0.71073","MoKα","","0.0501","0.036","","","0.0921","0.101","","","","","","1.044","","","","has coordinates","224147","2020-10-21","18:00:00",""
"7048372","23.8897","0.0012","19.2103","0.0008","22.9234","0.0011","90","","95.4","0.005","90","","10473.5","0.9","127","3","127","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C115 H94 Cl3 Cu3 N10 O4 P6 -","- C115 H94 Cl3 Cu3 N10 O4 P6 -","- C460 H376 Cl12 Cu12 N40 O16 P24 -","4","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1065","0.0642","","","0.1572","0.2","","","","","","0.887","","","","has coordinates,has disorder","224123","2020-10-21","18:00:00",""
"7048373","15.918","0.003","33.78","0.007","18.594","0.004","90","","109.31","0.03","90","","9436","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.47 H3.58 Ag0.14 N0.47 O0 P0.24 -","- C4.47059 H3.57647 Ag0.141176 N0.470588 P0.235294 -","- C380 H304 Ag12 N40 P20 -","85","21.25","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","0.71073","MoKα","","0.0882","0.078","","","0.2502","0.2688","","","","","","1.043","","","","has coordinates","224123","2020-10-21","18:00:00",""
"7048374","15.6274","0.0004","14.2329","0.0005","25.1211","0.0008","90","","103.46","0.003","90","","5434","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H47 Ag2 N10 P3 -","- C60 H47 Ag2 N10 P3 -","- C240 H188 Ag8 N40 P12 -","4","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1052","0.063","","","0.1202","0.1331","","","","","","1.039","","","","has coordinates","224123","2020-10-21","18:00:00",""
"7048375","17.9776","0.0008","10.6403","0.0004","21.1006","0.0009","90","","102.053","0.005","90","","3947.3","0.3","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C86 H70 Ag2 B2 F8 N4 P4 -","- C86 H70 Ag2 B2 F8 N4 P4 -","- C172 H140 Ag4 B4 F16 N8 P8 -","2","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1284","0.0699","","","0.1365","0.1801","","","","","","1.007","","","","has coordinates,has disorder","224123","2020-10-21","18:00:00",""
"7048376","21.5029","0.0017","17.2977","0.0008","23.2218","0.0017","90","","114.375","0.009","90","","7867.5","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C172 H136 Cl4 Cu4 N8 O16 P8 -","- C172 H136 Cl4 Cu4 N8 O16 P8 -","- C344 H272 Cl8 Cu8 N16 O32 P16 -","2","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1481","0.0768","","","0.1552","0.2011","","","","","","1.013","","","","has coordinates,has disorder","224123","2020-10-21","18:00:00",""
"7048377","16.0951","0.0004","24.6803","0.0009","28.7623","0.0009","83.315","0.003","78.494","0.002","78.732","0.002","10944.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C226 H183 Cl0 Cu6 N20 P12 -","- C226 H183 Cu6 N20 P12 -","- C452 H366 Cu12 N40 P24 -","2","1","","Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu","Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","741","750","10.1039/c8dt03377c","","","1.54184","CuKα","","0.1672","0.107","","","0.3288","0.3801","","","","","","1.092","","","","has coordinates","224123","2020-10-21","18:00:00",""
"7048378","6.5374","0.0002","12.258","0.0003","21.5616","0.0005","88.574","0.002","85.328","0.002","85.018","0.002","1715.33","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 B2 F8 N8 Pd -","- C28 H44 B2 F8 N8 Pd -","- C56 H88 B4 F16 N16 Pd2 -","2","1","","Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide","Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","818","822","10.1039/c8dt04935a","","x-ray","0.71073","MoKα","","0.0402","0.0318","","","0.0796","0.0827","","","","","","1.045","","","","has coordinates","224578","2020-10-21","18:00:00",""
"7048379","11.6086","0.0001","21.3061","0.0002","12.4395","0.0001","90","","102.909","0.001","90","","2998.95","0.05","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H31 B3 F12 N7 Pd1.5 -","- C20 H31 B3 F12 N7 Pd1.5 -","- C80 H124 B12 F48 N28 Pd6 -","4","1","","Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide","Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","818","822","10.1039/c8dt04935a","","x-ray","1.54184","CuKα","","0.0371","0.0364","","","0.0992","0.0997","","","","","","1.086","","","","has coordinates,has disorder","224578","2020-10-21","18:00:00",""
"7048380","25.6757","0.0006","21.3064","0.0006","11.7797","0.0003","90","","90","","90","","6444.2","0.3","123","2","123","2","","","","","","","","8","A m a 2","A 2 -2a","40","","","","- C22.31 H35.62 B2 Cl2.31 F8 N6 O0.35 Pd -","- C22.31 H35.62 B2 Cl2.308 F8 N6 O0.346 Pd -","- C178.48 H284.96 B16 Cl18.464 F64 N48 O2.768 Pd8 -","8","1","","Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide","Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","818","822","10.1039/c8dt04935a","","x-ray","0.71075","MoKα","","0.0604","0.0561","","","0.1401","0.1423","","","","","","1.118","","","","has coordinates,has disorder","224578","2020-10-21","18:00:00",""
"7048381","12.9729","0.0003","14.3355","0.0003","37.3886","0.0007","90","","91.94","0.002","90","","6949.3","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89.15 B4 F16 N16 O2.57 Pd2 -","- C56 H89.148 B4 F16 N16 O2.574 Pd2 -","- C224 H356.592 B16 F64 N64 O10.296 Pd8 -","4","1","","Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide","Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","818","822","10.1039/c8dt04935a","","x-ray","0.71073","MoKα","","0.0576","0.0472","","","0.094","0.0971","","","","","","1.13","","","","has coordinates,has disorder","224578","2020-10-21","18:00:00",""
"7048382","12.7715","0.0014","13.3164","0.0013","13.7049","0.0012","89.617","0.007","76.348","0.009","72.055","0.009","2149.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 Cl8 Eu8 N12 O52 -","- C60 H50 Cl8 Eu8 N12 O43 -","- C60 H50 Cl8 Eu8 N12 O43 -","1","0.5","","Zhang, Xue-Jing; Su, Fang-Zhe; Chen, Di-Ming; Peng, Yu; Guo, Wan-Ying; Liu, Chun-Sen; Du, Miao","A water-stable Eu<sup>III</sup>-based MOF as a dual-emission luminescent sensor for discriminative detection of nitroaromatic pollutants.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1843","1849","10.1039/c8dt04397c","","x-ray","0.71073","MoKα","","0.0744","0.0606","","","0.1556","0.1643","","","","","","1.123","","","","has coordinates,has disorder","224004","2020-10-21","18:00:00",""
"7048383","9.0226","0.0002","11.2002","0.0002","25.5416","0.0006","90","","96.925","0.001","90","","2562.27","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Au Cl Fe O2 P -","- C29 H25 Au Cl Fe O2 P -","- C116 H100 Au4 Cl4 Fe4 O8 P4 -","4","1","","Subramanian, Gowtham; Sadeer, Abdul; Mukherjee, Kalyani; Kojima, Tadayuki; Tripathi, Pallavi; Naidu, Renugah; Tay, Shan Wen; Pang, Jia Hao; Pullarkat, Sumod A.; Chandramohanadas, Rajesh","Evaluation of ferrocenyl phosphines as potent antimalarials targeting the digestive vacuole function of Plasmodium falciparum.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1108","1117","10.1039/c8dt04263b","","","0.71073","MoKα","","0.0617","0.0386","","","0.0621","0.0708","","","","","","1.03","","","","has coordinates","224587","2020-10-21","18:00:00",""
"7048384","11.007","0.003","13.723","0.004","14.116","0.004","95.279","0.004","107.403","0.004","109.148","0.005","1878.8","0.9","133","2","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 Gd2 N6 O14 -","- C92 H64 Gd2 N6 O14 -","- C92 H64 Gd2 N6 O14 -","1","0.5","","Wu, Dong-Fang; Liu, Zhen; Ren, Peng; Liu, Xiao-He; Wang, Ning; Cui, Jian-Zhong; Gao, Hong-Ling","A new family of dinuclear lanthanide complexes constructed from an 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and near-infrared luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1392","1403","10.1039/c8dt04384a","","","0.71073","MoKα","","0.0292","0.0232","","","0.0539","0.0694","","","","","","1.103","","","","has coordinates","224089","2020-10-21","18:00:00",""
"7048385","11.042","0.002","13.819","0.003","14.209","0.003","96.06","0.03","107.36","0.03","109.23","0.03","1903.3","0.9","113","2","113","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Dy0.5 N1.5 O3.5 -","- C23 H16 Dy0.5 N1.5 O3.5 -","- C92 H64 Dy2 N6 O14 -","4","2","","Wu, Dong-Fang; Liu, Zhen; Ren, Peng; Liu, Xiao-He; Wang, Ning; Cui, Jian-Zhong; Gao, Hong-Ling","A new family of dinuclear lanthanide complexes constructed from an 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and near-infrared luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1392","1403","10.1039/c8dt04384a","","","0.71073","MoKα","","0.0298","0.0272","","","0.0663","0.0679","","","","","","1.059","","","","has coordinates","224089","2020-10-21","18:00:00",""
"7048386","10.9705","0.0014","13.7299","0.0015","14.174","0.0015","96","","107.701","0.002","108.98","0.002","1873.6","0.4","128","","128.15","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 Er2 N6 O14 -","- C92 H64 Er2 N6 O14 -","- C92 H64 Er2 N6 O14 -","1","0.5","","Wu, Dong-Fang; Liu, Zhen; Ren, Peng; Liu, Xiao-He; Wang, Ning; Cui, Jian-Zhong; Gao, Hong-Ling","A new family of dinuclear lanthanide complexes constructed from an 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and near-infrared luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1392","1403","10.1039/c8dt04384a","","","0.71073","MoKα","","0.0306","0.03","","","0.0907","0.0916","","","","","","1.093","","","","has coordinates","224089","2020-10-21","18:00:00",""
"7048387","10.9942","0.0013","13.764","0.0016","14.1936","0.0015","95.916","0.001","107.564","0.001","108.86","0.002","1889.2","0.4","133","2","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 N6 O14 Tb2 -","- C92 H64 N6 O14 Tb2 -","- C92 H64 N6 O14 Tb2 -","1","0.5","","Wu, Dong-Fang; Liu, Zhen; Ren, Peng; Liu, Xiao-He; Wang, Ning; Cui, Jian-Zhong; Gao, Hong-Ling","A new family of dinuclear lanthanide complexes constructed from an 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and near-infrared luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1392","1403","10.1039/c8dt04384a","","","0.71073","MoKα","","0.0271","0.0231","","","0.0541","0.0551","","","","","","1.008","","","","has coordinates","224089","2020-10-21","18:00:00",""
"7048388","10.3473","0.0018","20.187","0.003","20.445","0.003","91.118","0.004","91.324","0.006","95.04","0.006","4251.9","1.2","133","2","133","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H71.5 N8.5 Nd2 O14 -","- C97 H71.5 N8.5 Nd2 O14 -","- C194 H143 N17 Nd4 O28 -","2","1","","Wu, Dong-Fang; Liu, Zhen; Ren, Peng; Liu, Xiao-He; Wang, Ning; Cui, Jian-Zhong; Gao, Hong-Ling","A new family of dinuclear lanthanide complexes constructed from an 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and near-infrared luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1392","1403","10.1039/c8dt04384a","","","0.71073","MoKα","","0.0542","0.039","","","0.0918","0.0994","","","","","","1.05","","","","has coordinates","224089","2020-10-21","18:00:00",""
"7048389","11.0252","0.0017","13.768","0.002","14.157","0.002","95.618","0.001","107.503","0.002","108.923","0.003","1892.7","0.5","133","","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 Eu2 N6 O14 -","- C92 H64 Eu2 N6 O14 -","- C92 H64 Eu2 N6 O14 -","1","0.5","","Wu, Dong-Fang; Liu, Zhen; Ren, Peng; Liu, Xiao-He; Wang, Ning; Cui, Jian-Zhong; Gao, Hong-Ling","A new family of dinuclear lanthanide complexes constructed from an 8-hydroxyquinoline Schiff base and β-diketone: magnetic properties and near-infrared luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1392","1403","10.1039/c8dt04384a","","","0.71073","MoKα","","0.0224","0.0208","","","0.0546","0.0552","","","","","","1.046","","","","has coordinates","224089","2020-10-21","18:00:00",""
"7048390","11.0617","0.0004","12.1065","0.0004","19.4649","0.0008","106.306","0.003","98.251","0.003","103.499","0.003","2370.92","0.17","123","0.1","123","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42 Ag Cl2 F6 N2 O P3 -","- C51 H42 Ag Cl2 F6 N2 O P3 -","- C102 H84 Ag2 Cl4 F12 N4 O2 P6 -","2","1","","Shafikov, Marsel Z.; Czerwieniec, Rafał; Yersin, Hartmut","Ag(i) complex design affording intense phosphorescence with a landmark lifetime of over 100 milliseconds.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2802","2806","10.1039/c8dt04078h","","x-ray","1.54184","CuKα","","0.0431","0.0358","","","0.0894","0.0939","","","","","","1.04","","","","has coordinates,has disorder","223961","2020-10-21","18:00:00",""
"7048391","15.6492","0.0011","8.2325","0.0006","16.7492","0.0011","90","","104.075","0.007","90","","2093.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F6 N3 O2 P -","- C20 H22 F6 N3 O2 P -","- C80 H88 F24 N12 O8 P4 -","4","1","","Groves, Lara M.; Williams, Catrin F.; Hayes, Anthony J.; Ward, Benjamin D.; Isaacs, Marc D.; Symonds, Nadine O.; Lloyd, David; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","Fluorescent functionalised naphthalimides and their Au(i)-NHC complexes for potential use in cellular bioimaging.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1599","1612","10.1039/c8dt04069a","","x-ray","0.71075","MoKα","","0.1438","0.0969","","","0.2411","0.2652","","","","","","1.103","","","","has coordinates,has disorder","224006","2020-10-21","18:00:00",""
"7048392","9.0951","0.0002","10.0127","0.0002","12.2157","0.0003","67.576","0.002","72.828","0.002","76.121","0.002","972.23","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Au Cl N3 O2 -","- C20 H21 Au Cl N3 O2 -","- C40 H42 Au2 Cl2 N6 O4 -","2","1","","Groves, Lara M.; Williams, Catrin F.; Hayes, Anthony J.; Ward, Benjamin D.; Isaacs, Marc D.; Symonds, Nadine O.; Lloyd, David; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","Fluorescent functionalised naphthalimides and their Au(i)-NHC complexes for potential use in cellular bioimaging.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1599","1612","10.1039/c8dt04069a","","x-ray","0.71075","MoKα","","0.0142","0.0133","","","0.0322","0.0324","","","","","","1.047","","","","has coordinates,has disorder","224006","2020-10-21","18:00:00",""
"7048393","12.0271","0.0005","13.1399","0.0008","17.0209","0.0008","109.974","0.005","92.594","0.004","113.357","0.005","2269.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Br2 Cu2 N4 P2 -","- C48 H36 Br2 Cu2 N4 P2 -","- C96 H72 Br4 Cu4 N8 P4 -","2","1","","Jia, Ji-Hui; Chen, Xu-Lin; Liao, Jian-Zhen; Liang, Dong; Yang, Ming-Xue; Yu, Rongmin; Lu, Can-Zhong","Highly luminescent copper(i) halide complexes chelated with a tetradentate ligand (PNNP): synthesis, structure, photophysical properties and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1418","1426","10.1039/c8dt03452d","","x-ray","1.54184","CuKα","","0.0502","0.0378","","","0.0921","0.0999","","","","","","1.07","","","","has coordinates","224086","2020-10-21","18:00:00",""
"7048394","12.2493","0.0004","13.0962","0.0006","17.011","0.0007","107.746","0.004","92.742","0.003","114.186","0.004","2323.6","0.2","100.01","0.12","100.01","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu2 I2 N4 P2 -","- C48 H36 Cu2 I2 N4 P2 -","- C96 H72 Cu4 I4 N8 P4 -","2","1","","Jia, Ji-Hui; Chen, Xu-Lin; Liao, Jian-Zhen; Liang, Dong; Yang, Ming-Xue; Yu, Rongmin; Lu, Can-Zhong","Highly luminescent copper(i) halide complexes chelated with a tetradentate ligand (PNNP): synthesis, structure, photophysical properties and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1418","1426","10.1039/c8dt03452d","","x-ray","1.54184","CuKα","","0.0337","0.0301","","","0.0794","0.0824","","","","","","1.011","","","","has coordinates","224086","2020-10-21","18:00:00",""
"7048395","10.8738","0.0006","18.0751","0.001","14.0504","0.0008","90","","97.333","0.001","90","","2738.9","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Me4N)2(Fe4S4(SMe)4)","","- C12 H36 Fe4 N2 S8 -","- C12 H36 Fe4 N2 S8 -","- C48 H144 Fe16 N8 S32 -","4","1","","Modrzynski, Christian; Burger, Peter","Energy storage inspired by nature - ionic liquid iron-sulfur clusters as electrolytes for redox flow batteries.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1941","1946","10.1039/c8dt03776k","","","0.71073","MoKα","","0.0172","0.0168","","","0.0404","0.0405","","","","","","1.242","","","","has coordinates","224165","2020-10-21","18:00:00",""
"7048396","13.4591","0.0004","21.789","0.0005","13.3532","0.0003","90","","90.297","0.002","90","","3915.91","0.17","287.58","0.1","287.58","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 F12 Fe4 N2 O S8 -","- C20 H40 F12 Fe4 N2 O S8 -","- C80 H160 F48 Fe16 N8 O4 S32 -","4","1","","Modrzynski, Christian; Burger, Peter","Energy storage inspired by nature - ionic liquid iron-sulfur clusters as electrolytes for redox flow batteries.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1941","1946","10.1039/c8dt03776k","","x-ray","0.71073","MoKα","","0.0945","0.0724","","","0.1487","0.1573","","","","","","1.25","","","","has coordinates,has disorder","224165","2020-10-21","18:00:00",""
"7048397","6.7178","0.0003","9.394","0.0004","10.1699","0.0004","69.232","0.004","87.65","0.004","89.471","0.004","599.58","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 Ni O4 -","- C30 H28 N2 Ni O4 -","- C30 H28 N2 Ni O4 -","1","0.5","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","x-ray","0.71075","MoKα","K-L~3~","0.0306","0.0293","","","0.0883","0.089","","","","","","1.185","","","","has coordinates","224075","2020-10-21","18:00:00",""
"7048398","10.369","0.0002","10.7727","0.0003","20.5457","0.0007","85.474","0.002","84.339","0.002","63.261","0.003","2038.05","0.11","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 Co N3 O8 -","- C45 H42 Co N3 O6 -","- C90 H84 Co2 N6 O12 -","2","1","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","","0.71073","MoKα","","0.0483","0.0469","","","0.0924","0.0929","","","","","","1.201","","","","has coordinates","224075","2020-10-21","18:00:00",""
"7048399","9.0156","0.0002","12.5137","0.0002","14.5497","0.0002","93.129","0.001","105.662","0.002","105.28","0.002","1510.62","0.05","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","[Ni4]","","","- C60 H72 N6 Ni4 O19 -","- C60 H72 N6 Ni4 O19 -","- C60 H72 N6 Ni4 O19 -","1","0.5","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","","1.54184","CuKα","","0.0411","0.0374","","","0.101","0.1036","","","","","","1.029","","","","has coordinates,has disorder","224075","2020-10-21","18:00:00",""
"7048400","12.6966","0.0004","10.1709","0.0003","38.0873","0.0011","90","","92.904","0.003","90","","4912.1","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 N4 Ni2 O18 -","- C45 H44 N4 Ni2 O13 -","- C180 H176 N16 Ni8 O52 -","4","1","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","","0.71073","MoKα","","0.0947","0.0683","","","0.1796","0.1965","","","","","","1.057","","","","has coordinates","224075","2020-10-21","18:00:00",""
"7048401","11.1808","0.0005","15.8405","0.0005","20.5877","0.0005","105.986","0.002","90.324","0.003","105.805","0.003","3359.9","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","[Ni4-Br]","","","- C62 H65 Br4 N7 Ni4 O16 -","- C62 H65 Br4 N7 Ni4 O16 -","- C124 H130 Br8 N14 Ni8 O32 -","2","1","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","","0.71073","MoKα","","0.0741","0.058","","","0.1597","0.1773","","","","","","1.044","","","","has coordinates","224075","2020-10-21","18:00:00",""
"7048402","9.0455","0.0006","12.6133","0.0009","14.443","0.001","92.607","0.006","104.914","0.006","103.757","0.006","1536.6","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","[Co4]-(6)","","","- C60 H70 Co4 N6 O19 -","- C60 H70 Co4 N6 O19 -","- C60 H70 Co4 N6 O19 -","1","0.5","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","","0.71073","MoKα","","0.0733","0.0454","","","0.0865","0.0968","","","","","","1.048","","","","has coordinates,has disorder","224075","2020-10-21","18:00:00",""
"7048403","19.8705","0.0005","22.1327","0.0004","23.1956","0.0004","90","","94.902","0.002","90","","10163.8","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co7]","","","- C97 H110 Co7 N8 O28.5 -","- C93 H93 Co7 N6 O18.5 -","- C372 H372 Co28 N24 O74 -","4","1","","Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.","Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1477","1488","10.1039/c8dt04229b","","","0.71073","MoKα","","0.1906","0.1737","","","0.3229","0.3316","","","","","","1.335","","","","has coordinates","224075","2020-10-21","18:00:00",""
"7048404","9.7841","0.0014","15.069","0.002","28.034","0.004","90","","92.701","0.004","90","","4128.6","1","170","","170.05","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl Fe Ga N5 O6 -","- C45 H41 Cl Fe Ga N5 O6 -","- C180 H164 Cl4 Fe4 Ga4 N20 O24 -","4","1","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","0.71073","MoKα","","0.0866","0.0623","","","0.1433","0.1569","","","","","","1.118","","","","has coordinates","224085","2020-10-21","18:00:00",""
"7048405","7.7334","0.0009","13.797","0.0016","16.6692","0.0017","92.736","0.004","102.861","0.004","101.348","0.004","1692.2","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl6 Ga2 N5 -","- C33 H25 Cl6 Ga2 N5 -","- C66 H50 Cl12 Ga4 N10 -","2","1","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","0.71073","MoKα","","0.0715","0.0579","","","0.1827","0.1947","","","","","","1.079","","","","has coordinates","224085","2020-10-21","18:00:00",""
"7048406","9.0074","0.0007","14.0425","0.001","17.2131","0.0014","81.875","0.002","86.671","0.003","75.708","0.002","2088.1","0.3","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H21 Cl6 F12 Ga2 N5 -","- C37 H21 Cl6 F12 Ga2 N5 -","- C74 H42 Cl12 F24 Ga4 N10 -","2","1","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","0.71073","MoKα","","0.0622","0.0458","","","0.0994","0.113","","","","","","1.059","","","","has coordinates,has disorder","224085","2020-10-21","18:00:00",""
"7048407","9.6466","0.0007","18.8631","0.0012","16.5594","0.0011","90","","102.788","0.002","90","","2938.5","0.3","170","","169.81","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl6 Ga2 N5 -","- C25 H21 Cl6 Ga2 N5 -","- C100 H84 Cl24 Ga8 N20 -","4","1","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","0.71073","MoKα","","0.0357","0.0268","","","0.0611","0.0648","","","","","","1.039","","","","has coordinates","224085","2020-10-21","18:00:00",""
"7048408","9.692","","9.329","","26.919","","90","","99.92","","90","","2397.54","","170","","170.08","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H44 Cl24 Ga8 N12 O8 -","- C76 H44 Cl24 Ga8 N12 O8 -","- C76 H44 Cl24 Ga8 N12 O8 -","1","0.25","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","1.54178","CuKα","","0.067","0.0664","","","0.1744","0.1752","","","","","","1.166","","","","has coordinates","224085","2020-10-21","18:00:00",""
"7048409","10.3391","0.001","31.617","0.003","13.0556","0.0012","90","","106.521","0.002","90","","4091.6","0.7","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Al2 Cl8 N3 -","- C34 H45 Al2 Cl8 N3 -","- C136 H180 Al8 Cl32 N12 -","4","1","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","0.71073","MoKα","","0.0599","0.0523","","","0.1268","0.1323","","","","","","1.043","","","","has coordinates,has disorder","224085","2020-10-21","18:00:00",""
"7048410","9.7574","0.0009","10.4579","0.0009","41.051","0.004","90","","95.473","0.002","90","","4169.8","0.7","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 Cl6 Ga2 N3 O -","- C37 H51 Cl6 Ga2 N3 O -","- C148 H204 Cl24 Ga8 N12 O4 -","4","1","","Swidan, Ala'aeddeen; Binder, Justin F.; Onge, Blake J St; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridines as more electron-rich and sterically accessible alternatives to 2,6-bis(imino)pyridine for group 13 coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1284","1291","10.1039/c8dt04276d","","","0.71073","MoKα","","0.0458","0.038","","","0.0818","0.0851","","","","","","1.072","","","","has coordinates","224085","2020-10-21","18:00:00",""
"7048411","15.6988","0.0005","20.5029","0.0007","16.0116","0.0007","90","","91.609","0.001","90","","5151.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F16 N4 Na O6 S8 Tb -","- C40 H30 F16 N4 Na O6 S8 Tb -","- C160 H120 F64 N16 Na4 O24 S32 Tb4 -","4","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Synthesis, structure and long-lived NIR luminescence of lanthanide ate complexes with perfluorinated 2-mercaptobenzothiazole.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1060","1066","10.1039/c8dt04601h","","","0.71073","MoKα","","0.0485","0.0343","","","0.0648","0.0678","","","","","","1.066","","","","has coordinates","224579","2020-10-21","18:00:00",""
"7048412","14.2673","0.0004","32.3497","0.0009","23.1902","0.0006","90","","100.086","0.001","90","","10537.9","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F16 N4 Na Nd O6 S8 -","- C40 H30 F16 N4 Na Nd O6 S8 -","- C320 H240 F128 N32 Na8 Nd8 O48 S64 -","8","2","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Synthesis, structure and long-lived NIR luminescence of lanthanide ate complexes with perfluorinated 2-mercaptobenzothiazole.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1060","1066","10.1039/c8dt04601h","","","0.71073","MoKα","","0.0578","0.0429","","","0.0796","0.0831","","","","","","1.076","","","","has coordinates,has disorder","287906","2023-11-30","18:39:49",""
"7048413","14.2403","0.0007","32.3402","0.0015","23.1367","0.0011","90","","100.217","0.001","90","","10486.3","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F16 N4 Na O6 S8 Sm -","- C40 H30 F16 N4 Na O6 S8 Sm -","- C320 H240 F128 N32 Na8 O48 S64 Sm8 -","8","2","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Synthesis, structure and long-lived NIR luminescence of lanthanide ate complexes with perfluorinated 2-mercaptobenzothiazole.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1060","1066","10.1039/c8dt04601h","","","0.71073","MoKα","","0.0348","0.0286","","","0.0569","0.0584","","","","","","1.089","","","","has coordinates,has disorder","287906","2023-11-30","18:39:49",""
"7048414","13.8956","0.0008","32.1223","0.0017","23.7949","0.0014","90","","106.296","0.002","90","","10194.4","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F16 Li N4 O6 S8 Yb -","- C40 H30 F16 Li N4 O6 S8 Yb -","- C320 H240 F128 Li8 N32 O48 S64 Yb8 -","8","2","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Synthesis, structure and long-lived NIR luminescence of lanthanide ate complexes with perfluorinated 2-mercaptobenzothiazole.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1060","1066","10.1039/c8dt04601h","","","0.71073","MoKα","","0.0834","0.0684","","","0.1869","0.2098","","","","","","1.042","","","","has coordinates","224579","2020-10-21","18:00:00",""
"7048415","9.1691","0.0003","12.466","0.0004","16.2294","0.0008","90","","90","","90","","1855.05","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Si2 -","- C20 H26 Si2 -","- C80 H104 Si8 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0363","0.0353","","","0.0965","0.0975","","","","","","1.054","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048416","11.4961","0.0018","9.9907","0.0014","15.608","0.003","90","","96.664","0.013","90","","1780.5","0.5","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 -","- C22 H26 -","- C88 H104 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.1256","0.0651","","","0.1598","0.1925","","","","","","0.966","","","","has coordinates,has disorder","265213","2021-05-14","09:16:02",""
"7048417","18.001","0.002","9.0764","0.0006","7.2612","0.0009","90","","112.754","0.009","90","","1094","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0385","0.0333","","","0.08","0.0827","","","","","","1.065","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048418","6.1626","0.0005","12.0463","0.001","18.6987","0.0015","107.075","0.006","94.331","0.006","101.872","0.006","1284.78","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H39 B O2 -","- C28 H39 B O2 -","- C56 H78 B2 O4 -","2","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0645","0.0485","","","0.1264","0.1328","","","","","","1.064","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048419","10.4796","0.0008","10.8034","0.0011","21.3385","0.0015","90","","90","","90","","2415.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B2 O4 -","- C26 H32 B2 O4 -","- C104 H128 B8 O16 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0454","0.0417","","","0.1107","0.1134","","","","","","1.051","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048420","7.965","0.002","10.844","0.003","13.205","0.004","96.17","0.02","107.48","0.02","100.62","0.02","1053","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 B2 S4 -","- C50 H46 B2 S4 -","- C50 H46 B2 S4 -","1","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.1483","0.0619","","","0.1248","0.1446","","","","","","0.808","","","","has coordinates,has disorder","224012","2020-10-21","18:00:00",""
"7048421","11.2074","0.0003","22.0029","0.0006","27.0385","0.0009","90","","90","","90","","6667.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B2 O4 -","- C34 H50 B2 O4 -","- C272 H400 B16 O32 -","8","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.1071","0.0868","","","0.2234","0.2391","","","","","","0.955","","","","has coordinates,has disorder","265213","2021-05-14","09:16:02",""
"7048422","35.713","0.003","8.9897","0.0008","19.7599","0.0013","90","","90","","90","","6343.9","0.9","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H50 B2 Li2 O2 -","- C30 H50 B2 Li2 O2 -","- C240 H400 B16 Li16 O16 -","8","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.2007","0.0703","","","0.1408","0.1841","","","","","","0.872","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048423","10.9767","0.0003","18.5254","0.0007","29.8956","0.001","90","","92.319","0.003","90","","6074.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br2 -","- C22 H24 Br2 -","- C264 H288 Br24 -","12","3","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.088","0.0619","","","0.1446","0.1617","","","","","","1.074","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048424","11.3684","0.0004","13.4509","0.0005","21.2477","0.0008","90","","90","","90","","3249.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 B2 O4 -","- C34 H48 B2 O4 -","- C136 H192 B8 O16 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0409","0.0381","","","0.0947","0.0964","","","","","","1.044","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048425","33.375","0.002","11.0282","0.0007","11.7509","0.0008","90","","98.494","0.005","90","","4277.7","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H62 B2 S2 -","- C48 H62 B2 S2 -","- C192 H248 B8 S8 -","4","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0791","0.0488","","","0.099","0.1081","","","","","","0.981","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048426","15.7492","0.0016","15.7492","0.0016","14.4036","0.0017","90","","90","","120","","3094","0.6","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C44 H50 B2 O2 -","- C44 H50 B2 O2 -","- C132 H150 B6 O6 -","3","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.2055","0.1282","","","0.2607","0.2931","","","","","","1.173","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048427","11.0286","0.0009","11.0444","0.0009","13.2897","0.0011","94.589","0.007","98.39","0.006","115.448","0.006","1427.5","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H74 B2 -","- C70 H74 B2 -","- C70 H74 B2 -","1","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.087","0.0626","","","0.1625","0.1765","","","","","","1.053","","","","has coordinates,has disorder","224012","2020-10-21","18:00:00",""
"7048428","8.4808","0.0012","10.1241","0.0017","14.101","0.002","107.102","0.013","100.164","0.012","93.247","0.013","1131.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 B2 Cl6 S4 -","- C48 H36 B2 Cl6 S4 -","- C48 H36 B2 Cl6 S4 -","1","0.5","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.1248","0.0608","","","0.1167","0.1373","","","","","","0.922","","","","has coordinates","224012","2020-10-21","18:00:00",""
"7048429","13.989","0.005","14.305","0.005","14.578","0.005","116.581","0.005","99.606","0.005","95.29","0.005","2525.8","1.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H64 Cl2 Cu N2 O2 S2 -","- C55 H64 Cl2 Cu N2 O2 S2 -","- C110 H128 Cl4 Cu2 N4 O4 S4 -","2","1","","Rajput, Amit; Saha, Anannya; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","[Cu<sup>II</sup>{(L<sup>ISQ</sup>)˙<sup>-</sup>}<sub>2</sub>] (H<sub>2</sub>L: thioether-appended o-aminophenol ligand) monocation triggers change in donor site from N<sub>2</sub>O<sub>2</sub> to N<sub>2</sub>O<sub>(2)</sub>S and valence-tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1795","1813","10.1039/c8dt03778g","","","0.71069","MoKα","","0.1061","0.0656","","","0.1537","0.1798","","","","","","1.008","","","","has coordinates,has disorder","223999","2020-10-21","18:00:00",""
"7048430","9.9852","0.0007","13.7894","0.0009","19.6154","0.0012","93.861","0.002","103.627","0.002","92.205","0.002","2614.7","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H62 Cu F6 N2 O2 P S2 -","- C54 H62 Cu F6 N2 O2 P S2 -","- C108 H124 Cu2 F12 N4 O4 P2 S4 -","2","1","","Rajput, Amit; Saha, Anannya; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","[Cu<sup>II</sup>{(L<sup>ISQ</sup>)˙<sup>-</sup>}<sub>2</sub>] (H<sub>2</sub>L: thioether-appended o-aminophenol ligand) monocation triggers change in donor site from N<sub>2</sub>O<sub>2</sub> to N<sub>2</sub>O<sub>(2)</sub>S and valence-tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1795","1813","10.1039/c8dt03778g","","","0.71073","MoKα","","0.1216","0.0704","","","0.1804","0.2178","","","","","","1.024","","","","has coordinates,has disorder","223999","2020-10-21","18:00:00",""
"7048431","9.9338","0.0008","13.5539","0.0011","19.4159","0.0017","94.07","0.002","103.437","0.002","92.262","0.002","2532","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H62 Cu F6 N2 O2 P S2 -","- C54 H62 Cu F6 N2 O2 P S2 -","- C108 H124 Cu2 F12 N4 O4 P2 S4 -","2","1","","Rajput, Amit; Saha, Anannya; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabindranath","[Cu<sup>II</sup>{(L<sup>ISQ</sup>)˙<sup>-</sup>}<sub>2</sub>] (H<sub>2</sub>L: thioether-appended o-aminophenol ligand) monocation triggers change in donor site from N<sub>2</sub>O<sub>2</sub> to N<sub>2</sub>O<sub>(2)</sub>S and valence-tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1795","1813","10.1039/c8dt03778g","","","0.71073","MoKα","","0.1415","0.074","","","0.1553","0.2016","","","","","","1.02","","","","has coordinates,has disorder","223999","2020-10-21","18:00:00",""
"7048432","11.1383","0.0016","13.614","0.002","21.511","0.003","71.868","0.007","80.282","0.008","70.514","0.008","2914.6","0.7","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","[GaH3(IPrstar)]","(1,3-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)-trihydrido-gallium","","- C76 H67 Ga N2 -","- C76 H67 Ga N2 -","- C152 H134 Ga2 N4 -","2","1","","Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","An exceptionally stable NHC complex of indane (InH<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1591","1594","10.1039/c8dt04956d","","x-ray","0.71073","MoKα","","0.1528","0.0676","","","0.1336","0.1687","","","","","","0.998","","","","has coordinates","224005","2020-10-21","18:00:00",""
"7048433","14.9001","0.0003","18.1641","0.0004","19.6086","0.0004","90","","90.204","0.001","90","","5306.97","0.19","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[InH3(IPr*)]","(1,3-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)-trihydrido-indium","","- C69 H59 In N2 -","- C69 H59 In N2 -","- C276 H236 In4 N8 -","4","1","","Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","An exceptionally stable NHC complex of indane (InH<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1591","1594","10.1039/c8dt04956d","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0971","0.1021","","","","","","1.056","","","","has coordinates","224005","2020-10-21","18:00:00",""
"7048434","12.591","0.004","15.893","0.005","15.98","0.006","119.048","0.013","90.951","0.017","92.806","0.017","2789.2","1.7","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","[InH3(IPr)]","(1,3-bis(diisopropylphenyl)imidazol-2-ylidene)-trihydrido-indium","","- C27 H39 In N2 -","- C27 H39 In N2 -","- C108 H156 In4 N8 -","4","2","","Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","An exceptionally stable NHC complex of indane (InH<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1591","1594","10.1039/c8dt04956d","","x-ray","0.71073","MoKα","","0.0635","0.042","","","0.0944","0.1073","","","","","","1.012","","","","has coordinates,has disorder","224005","2020-10-21","18:00:00",""
"7048435","11.0766","0.0009","14.1661","0.001","14.7052","0.001","69.381","0.006","75.972","0.006","72.748","0.007","2037.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H31 Cu F6 N7 O7 S2 -","- C40 H31 Cu F6 N7 O7 S2 -","- C80 H62 Cu2 F12 N14 O14 S4 -","2","1","","Priyanga, Selvarasu; Khamrang, Themmila; Velusamy, Marappan; Karthi, Sellamuthu; Ashokkumar, Balasubramaniem; Mayilmurugan, Ramasamy","Coordination geometry-induced optical imaging of l-cysteine in cancer cells using imidazopyridine-based copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1489","1503","10.1039/c8dt04634d","","","0.71073","MoKα","","0.0825","0.0565","","","0.13","0.146","","","","","","1.023","","","","has coordinates","224078","2020-10-21","18:00:00",""
"7048436","10.1295","0.0007","15.0236","0.0009","16.3207","0.001","101.942","0.005","104.135","0.006","98.175","0.006","2307.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cu F6 N6 O11 S2 -","- C42 H36 Cu F6 N6 O11 S2 -","- C84 H72 Cu2 F12 N12 O22 S4 -","2","1","","Priyanga, Selvarasu; Khamrang, Themmila; Velusamy, Marappan; Karthi, Sellamuthu; Ashokkumar, Balasubramaniem; Mayilmurugan, Ramasamy","Coordination geometry-induced optical imaging of l-cysteine in cancer cells using imidazopyridine-based copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1489","1503","10.1039/c8dt04634d","","","0.71073","MoKα","","0.086","0.0633","","","0.1539","0.1721","","","","","","1.036","","","","has coordinates","224078","2020-10-21","18:00:00",""
"7048437","11.466","0.0008","11.5674","0.0008","17.1754","0.0011","88.282","0.005","71.269","0.006","81.01","0.006","2130.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cu F6 N6 O10 S2 -","- C41 H34 Cu F6 N6 O10 S2 -","- C82 H68 Cu2 F12 N12 O20 S4 -","2","1","","Priyanga, Selvarasu; Khamrang, Themmila; Velusamy, Marappan; Karthi, Sellamuthu; Ashokkumar, Balasubramaniem; Mayilmurugan, Ramasamy","Coordination geometry-induced optical imaging of l-cysteine in cancer cells using imidazopyridine-based copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1489","1503","10.1039/c8dt04634d","","","0.71073","MoKα","","0.0951","0.068","","","0.1865","0.2115","","","","","","1.047","","","","has coordinates","224078","2020-10-21","18:00:00",""
"7048438","27.6006","0.0014","15.8879","0.0008","21.9963","0.0012","90","","108.44","0.006","90","","9150.5","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 Cu F6 N8 O8 S2 -","- C43 H40 Cu F6 N8 O8 S2 -","- C344 H320 Cu8 F48 N64 O64 S16 -","8","1","","Priyanga, Selvarasu; Khamrang, Themmila; Velusamy, Marappan; Karthi, Sellamuthu; Ashokkumar, Balasubramaniem; Mayilmurugan, Ramasamy","Coordination geometry-induced optical imaging of l-cysteine in cancer cells using imidazopyridine-based copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1489","1503","10.1039/c8dt04634d","","","0.71073","MoKα","","0.0994","0.0727","","","0.18","0.2005","","","","","","1.037","","","","has coordinates","224078","2020-10-21","18:00:00",""
"7048439","13.1277","0.0005","23.5508","0.001","8.6572","0.0004","90","","105.087","0.001","90","","2584.27","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 B2 F10 O5 -","- C28 H14 B2 F10 O5 -","- C112 H56 B8 F40 O20 -","4","1","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.0702","0.0431","","","0.101","0.1156","","","","","","1.009","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048440","8.0225","0.0015","11.695","0.002","13.036","0.003","89.744","0.005","76.108","0.004","89.936","0.005","1187.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H10 B2 F10 O5 -","- C26 H10 B2 F10 O5 -","- C52 H20 B4 F20 O10 -","2","1","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.0955","0.0473","","","0.0954","0.1105","","","","","","1.035","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048441","9.397","0.003","12.429","0.003","12.801","0.004","64.642","0.006","74.28","0.007","86.374","0.007","1298.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 B2 F20 O5 -","- C26 B2 F20 O5 -","- C52 B4 F40 O10 -","2","1","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.1243","0.0514","","","0.1095","0.1384","","","","","","1.004","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048442","9.2726","0.0007","10.5988","0.0008","12.9343","0.0008","107.415","0.005","91.051","0.005","98.916","0.006","1195.41","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 B F5 N2 O2 P -","- C25 H21 B F5 N2 O2 P -","- C50 H42 B2 F10 N4 O4 P2 -","2","1","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.1157","0.0493","","","0.0871","0.1052","","","","","","1","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048443","10.8565","0.0012","11.5001","0.0011","20.5732","0.0019","90","","95.633","0.007","90","","2556.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 B F10 N2 O2 -","- C27 H17 B F10 N2 O2 -","- C108 H68 B4 F40 N8 O8 -","4","1","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.1148","0.0482","","","0.0892","0.1134","","","","","","0.996","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048444","11.7743","0.0011","37.178","0.003","17.9821","0.0017","90","","106.016","0.002","90","","7566","1.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H14 B2 F20 O4 -","- C40 H14 B2 F20 O4 -","- C320 H112 B16 F160 O32 -","8","4","","Zhu, Diya; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Electrophilic boron carboxylate and phosphinate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2038","2045","10.1039/c8dt04818e","","","0.71073","MoKα","","0.157","0.0558","","","0.0914","0.1172","","","","","","1.003","","","","has coordinates","224144","2020-10-21","18:00:00",""
"7048445","18.099","0.004","56.282","0.011","13.435","0.003","90","","90","","90","","13686","5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H24 Co N6 O5 -","- C31 H24 Co N6 O5 -","- C496 H384 Co16 N96 O80 -","16","1","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0782","0.0758","","","0.2072","0.2106","","","","","","1.013","","","","has coordinates","224007","2020-10-21","18:00:00",""
"7048446","10.2023","0.0012","11.5349","0.0014","17.274","0.002","99.987","0.001","93.293","0.001","103.859","0.001","1933.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H66 Cd2 N14 O12 -","- C78 H62 Cd2 N14 O12 -","- C78 H62 Cd2 N14 O12 -","1","0.5","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0356","0.0323","","","0.103","0.1067","","","","","","1.152","","","","has coordinates,has disorder","224007","2020-10-21","18:00:00",""
"7048447","23.937","0.003","18.786","0.002","15.8863","0.0018","90","","90","","90","","7143.8","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H50 N14 O15 Zn2 -","- C72 H47.882 N14 O15 Zn2 -","- C288 H191.528 N56 O60 Zn8 -","4","0.5","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0932","0.0646","","","0.1923","0.2091","","","","","","1.062","","","","has coordinates,has disorder","224007","2020-10-21","18:00:00",""
"7048448","10.2264","0.0014","11.4194","0.0016","16.87","0.002","99.42","0.001","92.468","0.002","105.42","0.002","1865.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 Co N7 O6 -","- C39 H31 Co N7 O6 -","- C78 H62 Co2 N14 O12 -","2","1","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0441","0.0417","","","0.1208","0.1228","","","","","","1.093","","","","has coordinates,has disorder","224007","2020-10-21","18:00:00",""
"7048449","26.882","0.003","10.8337","0.0013","21.914","0.003","90","","91.584","0.002","90","","6379.6","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 N12 O9 Zn2 -","- C62 H46 N12 O9 Zn2 -","- C248 H184 N48 O36 Zn8 -","4","0.5","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0451","0.0367","","","0.1315","0.1454","","","","","","0.626","","","","has coordinates,has disorder","224007","2020-10-21","18:00:00",""
"7048450","26.9949","0.0019","10.8305","0.0007","21.8868","0.0013","90","","91.725","0.001","90","","6396.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N6 O4.5 Zn -","- C31 H22 N6 O4.5 Zn -","- C248 H176 N48 O36 Zn8 -","8","1","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0485","0.0414","","","0.1339","0.1374","","","","","","1.226","","","","has coordinates,has disorder","224007","2020-10-21","18:00:00",""
"7048451","11.624","0.0017","39.353","0.006","19.919","0.003","90","","101.509","0.003","90","","8929","2","298","2","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H66 Br3 Dy N9 O9 P3 -","- C18 H66 Br3 Dy N9 O9 P3 -","- C144 H528 Br24 Dy8 N72 O72 P24 -","8","2","","Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Xu, Ya-Chao; Wang, Wen-Zhen","A new air- and moisture-stable pentagonal-bipyramidal Dy<sup>III</sup> single-ion magnet based on the HMPA ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2213","2219","10.1039/c8dt03565b","","","0.71073","MoKα","","0.2067","0.0707","","","0.1286","0.1774","","","","","","0.925","","","","has coordinates,has disorder","224158","2020-10-21","18:00:00",""
"7048452","7.3597","0.0002","10.2273","0.0002","20.1564","0.0005","90","","90","","90","","1517.17","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.0491","0.0401","","","0.0997","0.1055","","","","","","1.043","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048453","10.0365","0.0004","12.8104","0.0005","14.1398","0.0005","93.3822","0.0013","92.2358","0.0014","107.672","0.0013","1726.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H54 Cl N O Ti -","- C43 H54 Cl N O Ti -","- C86 H108 Cl2 N2 O2 Ti2 -","2","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.0399","0.0298","","","0.0786","0.0841","","","","","","1.028","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048454","11.5804","0.0003","13.551","0.0004","18.5297","0.0005","90","","90","","90","","2907.79","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N O Ti -","- C34 H53 N O Ti -","- C136 H212 N4 O4 Ti4 -","4","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.0293","0.0255","","","0.0643","0.0664","","","","","","1.058","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048455","11.5799","0.0003","13.41","0.0003","18.5438","0.0005","90","","90","","90","","2879.6","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Cl N O Ti -","- C33 H50 Cl N O Ti -","- C132 H200 Cl4 N4 O4 Ti4 -","4","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.029","0.0275","","","0.0725","0.0733","","","","","","1.093","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048456","11.9091","0.0009","14.5982","0.0011","18.1227","0.0013","71.5865","0.0018","78.135","0.0019","80.585","0.002","2908.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H61.5 B Br0.5 Cl2 F15 N O Ti -","- C66 H61.5 B Br0.5 Cl2 F15 N O Ti -","- C132 H123 B2 Br Cl4 F30 N2 O2 Ti2 -","2","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.0553","0.0389","","","0.0968","0.1046","","","","","","1.053","","","","has coordinates,has disorder","224072","2020-10-21","18:00:00",""
"7048457","23.45","0.0008","40.0669","0.0013","15.0655","0.0005","90","","90.1527","0.0018","90","","14155","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 N O Ti -","- C44 H57 N O Ti -","- C704 H912 N16 O16 Ti16 -","16","4","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.1076","0.0542","","","0.1113","0.1341","","","","","","1.044","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048458","21.8891","0.0019","15.7838","0.0013","20.9545","0.0018","90","","90","","90","","7239.6","1.1","113","2","113.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C36 H30 Fe2 N2 O4 P2 S2 -","- C36 H30 Fe2 N2 O4 P2 S2 -","- C288 H240 Fe16 N16 O32 P16 S16 -","8","1","","Song, Li-Cheng; Feng, Li; Guo, Yuan-Qiang","Hydrophilic quaternary ammonium-group-containing [FeFe]H<sub>2</sub>ase models prepared by quaternization of the pyridyl N atoms in pyridylazadiphosphine- and pyridylmethylazadiphosphine-bridged diiron complexes with various electrophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1443","1453","10.1039/c8dt04211j","","","0.71073","MoKα","","0.0344","0.0274","","","0.0649","0.0678","","","","","","1.087","","","","has coordinates","224080","2020-10-21","18:00:00",""
"7048459","9.4838","0.0019","11.511","0.002","21.768","0.004","77.23","0.03","79.37","0.03","69.84","0.03","2160.3","0.8","113","2","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe2 N2 O8 P2 S3 -","- C39 H36 Cl2 Fe2 N2 O8 P2 S3 -","- C78 H72 Cl4 Fe4 N4 O16 P4 S6 -","2","1","","Song, Li-Cheng; Feng, Li; Guo, Yuan-Qiang","Hydrophilic quaternary ammonium-group-containing [FeFe]H<sub>2</sub>ase models prepared by quaternization of the pyridyl N atoms in pyridylazadiphosphine- and pyridylmethylazadiphosphine-bridged diiron complexes with various electrophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1443","1453","10.1039/c8dt04211j","","","0.71073","MoKα","","0.0916","0.0655","","","0.1673","0.1855","","","","","","1.075","","","","has coordinates,has disorder","224080","2020-10-21","18:00:00",""
"7048460","10.658","0.002","26.592","0.005","13.67","0.003","90","","106.77","0.03","90","","3709.5","1.4","113.15","","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Fe2 N2 O4 P2 S2 -","- C37 H32 Fe2 N2 O4 P2 S2 -","- C148 H128 Fe8 N8 O16 P8 S8 -","4","1","","Song, Li-Cheng; Feng, Li; Guo, Yuan-Qiang","Hydrophilic quaternary ammonium-group-containing [FeFe]H<sub>2</sub>ase models prepared by quaternization of the pyridyl N atoms in pyridylazadiphosphine- and pyridylmethylazadiphosphine-bridged diiron complexes with various electrophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1443","1453","10.1039/c8dt04211j","","","0.71073","MoKα","","0.0748","0.0592","","","0.1462","0.1566","","","","","","1.098","","","","has coordinates","224080","2020-10-21","18:00:00",""
"7048461","11.1716","0.0006","29.8239","0.0016","16.407","0.0009","90","","107.058","0.006","90","","5226","0.5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H42.25 Br Cl6.75 Fe2 N2 O5 P2 S2 -","- C42.5 H42.25 Br Cl6.75 Fe2 N2 O5 P2 S2 -","- C170 H169 Br4 Cl27 Fe8 N8 O20 P8 S8 -","4","1","","Song, Li-Cheng; Feng, Li; Guo, Yuan-Qiang","Hydrophilic quaternary ammonium-group-containing [FeFe]H<sub>2</sub>ase models prepared by quaternization of the pyridyl N atoms in pyridylazadiphosphine- and pyridylmethylazadiphosphine-bridged diiron complexes with various electrophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1443","1453","10.1039/c8dt04211j","","x-ray","0.71073","MoKα","","0.0806","0.0546","","","0.1256","0.1398","","","","","","1.02","","","","has coordinates","224080","2020-10-21","18:00:00",""
"7048462","10.501","0.0008","13.9062","0.0011","16.2223","0.0013","113.4","0.002","93.501","0.002","97.357","0.002","2139.8","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 I4 Mo3 N4 O6 -","- C34 H48 I4 Mo3 N4 O6 -","- C68 H96 I8 Mo6 N8 O12 -","2","1","","Volostnykh, Marina V.; Mikhaylov, Maxim A.; Sinelshchikova, Anna A.; Kirakosyan, Gayane A.; Martynov, Alexander G.; Grigoriev, Mikhail S.; Piryazev, Dmitry A.; Tsivadze, Aslan Yu; Sokolov, Maxim N.; Gorbunova, Yulia G.","Hybrid organic-inorganic supramolecular systems based on a pyridine end-decorated molybdenum(ii) halide cluster and zinc(ii) porphyrinate.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1835","1842","10.1039/c8dt04452j","","","0.71073","MoKα","","0.0469","0.0347","","","0.0842","0.0923","","","","","","1.038","","","","has coordinates","224011","2020-10-21","18:00:00",""
"7048463","14.9605","0.0015","9.7595","0.0011","8.5421","0.0009","90","","93.363","0.006","90","","1245.1","0.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N4 Zn -","- C34 H24 N4 Zn -","- C68 H48 N8 Zn2 -","2","0.5","","Volostnykh, Marina V.; Mikhaylov, Maxim A.; Sinelshchikova, Anna A.; Kirakosyan, Gayane A.; Martynov, Alexander G.; Grigoriev, Mikhail S.; Piryazev, Dmitry A.; Tsivadze, Aslan Yu; Sokolov, Maxim N.; Gorbunova, Yulia G.","Hybrid organic-inorganic supramolecular systems based on a pyridine end-decorated molybdenum(ii) halide cluster and zinc(ii) porphyrinate.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1835","1842","10.1039/c8dt04452j","","","0.71073","MoKα","","0.092","0.0713","","","0.1641","0.1751","","","","","","1.074","","","","has coordinates","224011","2020-10-21","18:00:00",""
"7048464","11.9029","0.0007","21.0461","0.0013","29.4339","0.0019","90","","91.286","0.003","90","","7371.6","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C140 H152 Cl8 I8 Mo6 N16 O12 Zn2 -","- C140 H152 Cl8 I8 Mo6 N16 O12 Zn2 -","- C280 H304 Cl16 I16 Mo12 N32 O24 Zn4 -","2","0.5","","Volostnykh, Marina V.; Mikhaylov, Maxim A.; Sinelshchikova, Anna A.; Kirakosyan, Gayane A.; Martynov, Alexander G.; Grigoriev, Mikhail S.; Piryazev, Dmitry A.; Tsivadze, Aslan Yu; Sokolov, Maxim N.; Gorbunova, Yulia G.","Hybrid organic-inorganic supramolecular systems based on a pyridine end-decorated molybdenum(ii) halide cluster and zinc(ii) porphyrinate.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1835","1842","10.1039/c8dt04452j","","","0.71073","MoKα","","0.051","0.032","","","0.0681","0.0777","","","","","","1.021","","","","has coordinates","224011","2020-10-21","18:00:00",""
"7048465","20.253","0.001","20.5959","0.0011","21.6995","0.001","103.62","0.002","107.057","0.003","98.424","0.002","8180.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C368 H356 Cl8 I8 Mo6 N40 O14 Zn8 -","- C344 H300 Cl8 I8 Mo6 N40 O14 Zn8 -","- C344 H300 Cl8 I8 Mo6 N40 O14 Zn8 -","1","0.5","","Volostnykh, Marina V.; Mikhaylov, Maxim A.; Sinelshchikova, Anna A.; Kirakosyan, Gayane A.; Martynov, Alexander G.; Grigoriev, Mikhail S.; Piryazev, Dmitry A.; Tsivadze, Aslan Yu; Sokolov, Maxim N.; Gorbunova, Yulia G.","Hybrid organic-inorganic supramolecular systems based on a pyridine end-decorated molybdenum(ii) halide cluster and zinc(ii) porphyrinate.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1835","1842","10.1039/c8dt04452j","","","0.71073","MoKα","","0.1936","0.0717","","","0.1719","0.2503","","","","","","0.941","","","","has coordinates","224011","2020-10-21","18:00:00",""
"7048466","11.3537","0.0004","23.9312","0.0006","17.2928","0.0005","90","","105.819","0.003","90","","4520.6","0.2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H43 F4 N3 O2 -","- C56 H43 F4 N3 O2 -","- C224 H172 F16 N12 O8 -","4","1","","Zhang, Randi; Wang, Zheng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Plastomeric-like polyethylenes achievable using thermally robust N,N'-nickel catalysts appended with electron withdrawing difluorobenzhydryl and nitro groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1878","1891","10.1039/c8dt04427a","","","0.71073","MoKα","","0.1588","0.0715","","","0.1279","0.1562","","","","","","1.013","","","","has coordinates","223991","2020-10-21","18:00:00",""
"7048467","11.3027","0.0003","32.3842","0.0007","15.9132","0.0004","90","","108.872","0.003","90","","5511.6","0.3","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 Br2 F4 N3 Ni O3 -","- C56 H45 Br2 F4 N3 Ni O3 -","- C224 H180 Br8 F16 N12 Ni4 O12 -","4","1","","Zhang, Randi; Wang, Zheng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Plastomeric-like polyethylenes achievable using thermally robust N,N'-nickel catalysts appended with electron withdrawing difluorobenzhydryl and nitro groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1878","1891","10.1039/c8dt04427a","","","0.71073","MoKα","","0.1413","0.07","","","0.1595","0.1849","","","","","","1.038","","","","has coordinates","223991","2020-10-21","18:00:00",""
"7048468","14.652","0.003","32.546","0.007","10.81","0.002","90","","95.61","0.03","90","","5130.2","1.8","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H37 Br2 F4 N3 Ni O2 -","- C53 H37 Br2 F4 N3 Ni O2 -","- C212 H148 Br8 F16 N12 Ni4 O8 -","4","1","","Zhang, Randi; Wang, Zheng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Plastomeric-like polyethylenes achievable using thermally robust N,N'-nickel catalysts appended with electron withdrawing difluorobenzhydryl and nitro groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1878","1891","10.1039/c8dt04427a","","","0.71073","MoKα","","0.084","0.0772","","","0.1558","0.1614","","","","","","1.211","","","","has coordinates,has disorder","223991","2020-10-21","18:00:00",""
"7048469","20.085","0.0007","23.243","0.006","15.21","0.001","90","","90","","90","","7100.6","1.9","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C182 H64 Cl6 Dy N12 O4 -","- C182 H64 Cl6 Dy N12 O4 -","- C364 H128 Cl12 Dy2 N24 O8 -","2","0.5","","Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang","Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1586","1590","10.1039/c8dt04008g","","","0.71069","MoKα","","0.12","0.0979","","","0.2609","0.2796","","","","","","1.082","","","","has coordinates,has disorder","224008","2020-10-21","18:00:00",""
"7048470","21.695","0.0002","21.7955","0.0002","23.4279","0.0005","90","","90","","90","","11078","0.3","150","","150","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C64 H36 Cl2 Dy0.5 N6 O2 -","- C64 H36 Cl2 Dy0.5 N6 O2 -","- C512 H288 Cl16 Dy4 N48 O16 -","8","1","","Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang","Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1586","1590","10.1039/c8dt04008g","","","0.71073","MoKα","","0.1946","0.1153","","","0.2426","0.2975","","","","","","1.076","","","","has coordinates","224008","2020-10-21","18:00:00",""
"7048471","21.7576","0.0004","21.4063","0.0005","15.2756","0.0003","90","","90","","90","","7114.6","0.3","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C94 H34 Cl4 Dy0.5 N6 O2 -","- C94 H34 Cl4 Dy0.5 N6 O2 -","- C376 H136 Cl16 Dy2 N24 O8 -","4","1","","Sun, Nana; Wang, Hailong; Liu, Tao; Qi, Dongdong; Jiang, Jianzhuang","Magnetic investigations over reversibly switched chiral (phthalocyaninato)(porphyrinato) dysprosium double-decker compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1586","1590","10.1039/c8dt04008g","","","0.71073","MoKα","","0.1","0.0853","","","0.2307","0.2444","","","","","","1.076","","","","has coordinates","224008","2020-10-21","18:00:00",""
"7048472","12.3784","0.0002","19.1075","0.0003","21.1751","0.0003","90","","90.0587","0.0007","90","","5008.34","0.13","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H28 Cl2 N4 Ni O9 S2 -","- C14 H26 Cl2 N4 Ni O9.0155 S2 -","- C112 H208 Cl16 N32 Ni8 O72.124 S16 -","8","1","","Gerschel, P.; Warm, K.; Farquhar, E. R.; Englert, U.; Reback, M. L.; Siegmund, D.; Ray, K.; Apfel, U.-P.","Sulfur substitution in a Ni(cyclam) derivative results in lower overpotential for CO<sub>2</sub> reduction and enhanced proton reduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5923","5932","10.1039/c8dt04740e","","","0.71073","MoKα","","0.0817","0.0757","","","0.1859","0.1919","","","","","","1.027","","","","has coordinates,has disorder","224407","2020-10-21","18:00:00",""
"7048473","9.9496","0.0008","12.4616","0.0009","17.5712","0.0016","90","","97.452","0.008","90","","2160.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H42 Cu N2 O6 -","- C52 H42 Cu N2 O6 -","- C104 H84 Cu2 N4 O12 -","2","1","","Zheng, Puyi; Eskandari, Arvin; Lu, Chunxin; Laws, Kristine; Aldous, Leigh; Suntharalingam, Kogularamanan","Biophysical analysis of cancer stem cell-potent copper(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5892","5896","10.1039/c8dt04706e","","","1.54184","CuKα","","0.0628","0.0505","","","0.1344","0.1468","","","","","","1.031","","","","has coordinates","224410","2020-10-21","18:00:00",""
"7048474","7.4092","0.0002","7.7822","0.0002","14.3986","0.0003","84.463","0.001","77.729","0.001","87.429","0.001","807.22","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Au2 Cl5 N2 -","- C12 H8 Au2 Cl5 N2 -","- C24 H16 Au4 Cl10 N4 -","2","1","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0134","0.0122","","","0.0254","0.0257","","","","","","1.138","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048475","7.033","0.0002","14.1302","0.0003","17.3904","0.0004","90","","93.714","0.001","90","","1724.59","0.07","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Au Cl2 F6 N2 P -","- C14 H12 Au Cl2 F6 N2 P -","- C56 H48 Au4 Cl8 F24 N8 P4 -","4","1","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0173","0.0146","","","0.0303","0.0313","","","","","","1.126","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048476","11.2927","0.0017","17.827","0.003","6.4414","0.0008","90","","90","","90","","1296.8","0.3","90","0.2","90","0.2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Au Cl3 N2 -","- C12 H8 Au Cl3 N2 -","- C48 H32 Au4 Cl12 N8 -","4","0.25","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0424","0.0362","","","0.087","0.0899","","","","","","1.162","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048477","7.3559","0.0002","7.9171","0.0002","13.8613","0.0004","74.929","0.001","77.645","0.001","84.574","0.001","760.78","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Au2 Cl4 N2 -","- C12 H8 Au2 Cl4 N2 -","- C24 H16 Au4 Cl8 N4 -","2","1","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0213","0.0193","","","0.0461","0.0467","","","","","","1.199","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048478","15.2841","0.0003","12.1249","0.0003","15.5256","0.0003","90","","90","","90","","2877.18","0.11","90","0.2","90","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Au Cl3 N2 O4 -","- C12 H8 Au Cl3 N2 O4 -","- C96 H64 Au8 Cl24 N16 O32 -","8","1","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0137","0.0122","","","0.0256","0.0261","","","","","","1.096","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048479","6.6826","0.0001","14.7624","0.0003","14.6209","0.0003","90","","100.956","0.001","90","","1416.08","0.05","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Au Cl2 F6 N2 P -","- C10 H8 Au Cl2 F6 N2 P -","- C40 H32 Au4 Cl8 F24 N8 P4 -","4","1","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0137","0.0125","","","0.0265","0.0269","","","","","","1.127","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048480","13.584","0.004","14.829","0.004","19.058","0.005","67.164","0.009","72.81","0.009","76.576","0.009","3349.8","1.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H66 B3 F12 Fe2 N12 O4 S -","- C49 H66 B3 F12 Fe2 N12 O4 S -","- C98 H132 B6 F24 Fe4 N24 O8 S2 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Transfer of hydrosulfide from thiols to iron(ii): a convenient synthetic route to nonheme diiron(ii)-hydrosulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5903","5908","10.1039/c8dt04092c","","x-ray","0.71073","MoKα","","0.1189","0.0913","","","0.2535","0.2793","","","","","","1.074","","","","has coordinates,has disorder","224408","2020-10-21","18:00:00",""
"7048481","12.253","0.003","15.368","0.004","18.42","0.005","102.748","0.008","96.655","0.007","98.924","0.007","3301.3","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H77 B2 Cl F8 Fe2 N14 O5 -","- C55 H77 B2 Cl F8 Fe2 N14 O5 -","- C110 H154 B4 Cl2 F16 Fe4 N28 O10 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Transfer of hydrosulfide from thiols to iron(ii): a convenient synthetic route to nonheme diiron(ii)-hydrosulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5903","5908","10.1039/c8dt04092c","","x-ray","0.71073","MoKα","","0.1737","0.1013","","","0.2707","0.3187","","","","","","1.032","","","","has coordinates,has disorder","224408","2020-10-21","18:00:00",""
"7048482","12.226","0.002","15.384","0.003","18.398","0.003","102.922","0.005","96.739","0.005","98.616","0.006","3293.6","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H78 B2 F8 Fe2 N14 O5 S -","- C55 H78 B2 F8 Fe2 N14 O5 S -","- C110 H156 B4 F16 Fe4 N28 O10 S2 -","2","1","","Pal, Nabhendu; Majumdar, Amit","Transfer of hydrosulfide from thiols to iron(ii): a convenient synthetic route to nonheme diiron(ii)-hydrosulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5903","5908","10.1039/c8dt04092c","","x-ray","0.71073","MoKα","","0.1296","0.0918","","","0.2053","0.2338","","","","","","1.032","","","","has coordinates,has disorder","224408","2020-10-21","18:00:00",""
"7048483","13.9837","0.0016","22.878","0.003","16.0002","0.0016","90","","97.816","0.003","90","","5071.2","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 B2 F8 Fe2 N11 O3 S -","- C46 H59 B2 F8 Fe2 N11 O3 S -","- C184 H236 B8 F32 Fe8 N44 O12 S4 -","4","1","","Pal, Nabhendu; Majumdar, Amit","Transfer of hydrosulfide from thiols to iron(ii): a convenient synthetic route to nonheme diiron(ii)-hydrosulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5903","5908","10.1039/c8dt04092c","","x-ray","0.71073","MoKα","","0.2097","0.1418","","","0.4088","0.4539","","","","","","1.613","","","","has coordinates,has disorder","224408","2020-10-21","18:00:00",""
"7048484","12.8688","0.0004","13.2752","0.0004","15.8294","0.0005","90.038","0.001","102.534","0.001","95.685","0.001","2626.11","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0379","0.0306","","","0.0685","0.0725","","","","","","1.044","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048485","12.8446","0.0009","13.253","0.0011","15.8329","0.0013","90.02","0.003","102.538","0.003","95.859","0.003","2616.5","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0334","0.0273","","","0.0604","0.0632","","","","","","1.056","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048486","12.8193","0.0004","13.2636","0.0005","15.7926","0.0006","89.848","0.002","77.537","0.001","84.055","0.001","2607.3","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0413","0.0338","","","0.0811","0.0851","","","","","","1.035","","","","has coordinates","224142","2020-10-21","18:00:00",""
"7048487","12.8163","0.0005","13.2907","0.0007","15.8134","0.0008","89.888","0.002","77.57","0.002","84.163","0.002","2616.3","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","- C117 H117 Dy2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0221","0.0198","","","0.0507","0.0516","","","","","","1.027","","","","has coordinates","224142","2020-10-21","18:00:00",""
"7048488","12.8552","0.0005","13.2618","0.0006","15.8132","0.0007","90.122","0.002","102.58","0.002","95.812","0.002","2616.8","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","- C117 H117 Eu2 N7 O22 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0387","0.0294","","","0.0624","0.0664","","","","","","1.057","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048489","12.8145","0.0005","13.2959","0.0006","15.8108","0.0007","89.955","0.002","77.517","0.002","84.175","0.002","2616","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","- C117 H117 N7 O22 Tb2 -","1","1","","Casanovas, Berta; Speed, Saskia; El Fallah, Mohamed Salah; Vicente, Ramon; Font-Bardía, Mercè; Zinna, Francesco; Di Bari, Lorenzo","Chiral dinuclear Ln(iii) complexes derived from S- and R-2-(6-methoxy-2-naphthyl)propionate. Optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2059","2067","10.1039/c8dt04149k","","","0.71073","MoKα","","0.0286","0.0242","","","0.0569","0.0592","","","","","","1.08","","","","has coordinates,has disorder","224142","2020-10-21","18:00:00",""
"7048490","10.6514","0.0006","26.9487","0.0015","17.426","0.0011","90","","95.551","0.005","90","","4978.5","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 Co N14 -","- C52 H48 Co N14 -","- C208 H192 Co4 N56 -","4","0.5","","Switlicka, Anna; Palion-Gazda, Joanna; Machura, Barbara; Cano, Joan; Lloret, Francesc; Julve, Miguel","Field-induced slow magnetic relaxation in pseudooctahedral cobalt(ii) complexes with positive axial and large rhombic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1404","1417","10.1039/c8dt03965h","","","0.71073","MoKα","","0.0683","0.0457","","","0.1192","0.1307","","","","","","1.06","","","","has coordinates","224074","2020-10-21","18:00:00",""
"7048491","10.0227","0.0006","10.9006","0.0006","20.9125","0.0012","90","","92.995","0.005","90","","2281.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Co N14 -","- C48 H40 Co N14 -","- C96 H80 Co2 N28 -","2","0.5","","Switlicka, Anna; Palion-Gazda, Joanna; Machura, Barbara; Cano, Joan; Lloret, Francesc; Julve, Miguel","Field-induced slow magnetic relaxation in pseudooctahedral cobalt(ii) complexes with positive axial and large rhombic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1404","1417","10.1039/c8dt03965h","","","0.71073","MoKα","","0.0814","0.0499","","","0.1256","0.1443","","","","","","1.078","","","","has coordinates","224074","2020-10-21","18:00:00",""
"7048492","12.2141","0.0001","24.289","0.0002","15.8351","0.0001","90","","99.4996","0.0007","90","","4633.35","0.06","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 B N4 O2 P2 Ru S2 -","- C49 H51 B N4 O2 P2 Ru S2 -","- C196 H204 B4 N16 O8 P8 Ru4 S8 -","4","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.54184","CuKα","","0.0241","0.0227","","0.058","0.0571","0.058","","","","","","1.0204","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048493","9.2352","0.0004","16.5996","0.0006","18.7713","0.0007","90","","94.733","0.004","90","","2867.84","0.19","150","0.1","150","0.1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C27 H27 Cl2 N4 O P Ru S2 -","- C27 H27 Cl2 N4 O P Ru S2 -","- C108 H108 Cl8 N16 O4 P4 Ru4 S8 -","4","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","x-ray","0.71073","MoKα","","0.0312","0.0291","","","0.0641","0.0653","","","","","","1.045","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048494","9.981","0.0007","11.0018","0.0006","19.3279","0.0008","73.725","0.004","82.147","0.004","65.67","0.006","1855.8","0.2","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C36 H33 B Cl3 N4 O P Ru S2 -","- C36 H33 B Cl3 N4 O P Ru S2 -","- C72 H66 B2 Cl6 N8 O2 P2 Ru2 S4 -","2","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","x-ray","1.54184","CuKα","","0.0363","0.0323","","","0.0806","0.0834","","","","","","1.024","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048495","11.5279","0.0001","20.9802","0.0001","18.3591","0.0002","90","","108.039","0.0009","90","","4222.02","0.07","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 Cl5 N2 O P2 Ru S -","- C42 H37 Cl5 N2 O P2 Ru S -","- C168 H148 Cl20 N8 O4 P8 Ru4 S4 -","4","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.54184","CuKα","","0.0338","0.0309","","0.0782","0.0766","0.0782","","","","","","0.9994","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048496","14.5664","0.0001","15.1058","0.0001","23.6542","0.0002","90","","105.46","0.0009","90","","5016.48","0.07","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 F7 N4 O P3 Ru S2 -","- C51 H48 F7 N4 O P3 Ru S2 -","- C204 H192 F28 N16 O4 P12 Ru4 S8 -","4","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.5418","CuKα","","0.0575","0.0539","","0.1274","0.125","0.1274","","","","","","1.0315","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048497","8.5565","0.0001","18.5822","0.0002","36.1544","0.0003","90","","90","","90","","5748.5","0.1","150","","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H33 B N4 O P2 Ru S2 -","- C25 H33 B N4 O P2 Ru S2 -","- C200 H264 B8 N32 O8 P16 Ru8 S16 -","8","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.54184","CuKα","","0.0396","0.0388","","0.0979","0.0976","0.0979","","","","","","1.0876","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048498","10.4568","0.0005","12.4325","0.0005","15.903","0.0007","68.191","0.004","82.434","0.004","71.916","0.004","1824.35","0.15","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H33 B N4 O P2 Ru S2 -","- C35 H33 B N4 O P2 Ru S2 -","- C70 H66 B2 N8 O2 P4 Ru2 S4 -","2","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.5418","CuKα","","0.0386","0.0371","","0.1008","0.0986","0.1008","","","","","","0.997","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048499","9.7228","0.0001","18.6012","0.0001","17.8876","0.0001","90","","97.7641","0.0007","90","","3205.42","0.04","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 B Cl3 N4 O2 P Ru S2 -","- C29 H27 B Cl3 N4 O2 P Ru S2 -","- C116 H108 B4 Cl12 N16 O8 P4 Ru4 S8 -","4","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.5418","CuKα","","0.03","0.0293","","0.0775","0.0768","0.0775","","","","","","1.0112","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048500","9.4439","0.0001","15.2581","0.0003","26.4419","0.0004","93.167","0.0014","92.0931","0.0012","93.9263","0.0013","3792.31","0.1","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H87 B3 N12 O21 P6 Ru3 S6 -","- C45 H87 B3 N12 O21 P6 Ru3 S6 -","- C90 H174 B6 N24 O42 P12 Ru6 S12 -","2","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.54184","CuKα","","0.0416","0.0382","","0.0975","0.0943","0.0975","","","","","","1.0496","","","","has coordinates,has disorder","224146","2020-10-21","18:00:00",""
"7048501","24.4133","0.0004","15.2016","0.0002","12.9342","0.0002","90","","90","","90","","4800.16","0.13","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","η5-Pentamethylcyclopentadienyliridium(1-(2-chloro-6-fluorophenylmethyl)-3-methylimidazolin-2-ylidene) carbonate","","- C22 H29 Cl F Ir N2 O5 -","- C22 H29 Cl F Ir N2 O5 -","- C176 H232 Cl8 F8 Ir8 N16 O40 -","8","1","","Marr, Andrew C.; Morgan, Patrick J.; Saunders, Graham C.; Thomas, Hayden P.","Conversion of haloform to carbonate by iridium N-heterocyclic carbene complexes and silver(i) oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1947","1949","10.1039/c8dt04456b","","x-ray","1.54184","CuKα","","0.0545","0.0409","","","0.1101","0.1259","","","","","","1.0599","","","","has coordinates","224157","2020-10-21","18:00:00",""
"7048502","10.2228","0.0005","10.021","0.0005","18.7682","0.001","90","","95.874","0.002","90","","1912.57","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","1","","Pandey, Abha; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.","A selective hydrolytic and restructuring approach through a Schiff base design on a coumarin platform for ""turn-on"" fluorogenic sensing of Zn<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2068","2076","10.1039/c8dt03211d","","","0.71073","MoKα","","0.1599","0.0657","","","0.1454","0.1874","","","","","","0.959","","","","has coordinates,has disorder","224150","2020-10-21","18:00:00",""
"7048503","6.8677","0.001","8.2475","0.0012","9.6475","0.0014","78.996","0.005","69.498","0.004","83.187","0.004","501.63","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N2 O -","- C11 H15 N2 O -","- C22 H30 N4 O2 -","2","1","","Pandey, Abha; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.","A selective hydrolytic and restructuring approach through a Schiff base design on a coumarin platform for ""turn-on"" fluorogenic sensing of Zn<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2068","2076","10.1039/c8dt03211d","","","0.71073","MoKα","","0.0823","0.0656","","","0.1701","0.1881","","","","","","1.042","","","","has coordinates","224150","2020-10-21","18:00:00",""
"7048504","18.1235","0.0008","16.7124","0.0007","20.6274","0.0009","90","","102.8","0.001","90","","6092.5","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 N6 O18 S4 Zn2 -","- C53 H60 N6 O18 S4 Zn2 -","- C212 H240 N24 O72 S16 Zn8 -","4","1","","Pandey, Abha; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.","A selective hydrolytic and restructuring approach through a Schiff base design on a coumarin platform for ""turn-on"" fluorogenic sensing of Zn<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2068","2076","10.1039/c8dt03211d","","","0.71073","MoKα","","0.1274","0.0672","","","0.1355","0.1553","","","","","","1.03","","","","has coordinates,has disorder","224150","2020-10-21","18:00:00",""
"7048505","15.4795","0.001","10.0302","0.0006","16.4542","0.0011","90","","93.9154","0.0017","90","","2548.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Br N Ni O P -","- C25 H35 Br N Ni O P -","- C100 H140 Br4 N4 Ni4 O4 P4 -","4","1","","Gudun, Kristina A.; Segizbayev, Medet; Adamov, Assyl; Plessow, Philipp N.; Lyssenko, Konstantin A.; Balanay, Mannix P.; Khalimon, Andrey Y.","POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1732","1746","10.1039/c8dt04854a","","","0.71073","MoKα","","0.0752","0.0417","","","0.0836","0.097","","","","","","0.949","","","","has coordinates","223994","2020-10-21","18:00:00",""
"7048506","28.3028","0.0016","12.4428","0.0007","14.4107","0.0008","90","","90","","90","","5075","0.5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25.81 H37.43 Cl0.19 N Ni O P -","- C25.8085 H37.4255 Cl0.1915 N Ni O P -","- C206.468 H299.404 Cl1.532 N8 Ni8 O8 P8 -","8","2","","Gudun, Kristina A.; Segizbayev, Medet; Adamov, Assyl; Plessow, Philipp N.; Lyssenko, Konstantin A.; Balanay, Mannix P.; Khalimon, Andrey Y.","POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1732","1746","10.1039/c8dt04854a","","","0.71073","MoKα","","0.0432","0.0337","","","0.0792","0.0836","","","","","","1.037","","","","has coordinates,has disorder","223994","2020-10-21","18:00:00",""
"7048507","12.0222","0.0005","13.5884","0.0005","16.3723","0.0006","90","","90.878","0.001","90","","2674.31","0.18","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 B F4 N Ni O P -","- C25 H35 B F4 N Ni O P -","- C100 H140 B4 F16 N4 Ni4 O4 P4 -","4","1","","Gudun, Kristina A.; Segizbayev, Medet; Adamov, Assyl; Plessow, Philipp N.; Lyssenko, Konstantin A.; Balanay, Mannix P.; Khalimon, Andrey Y.","POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1732","1746","10.1039/c8dt04854a","","","0.71073","MoKα","","0.0617","0.0459","","","0.1099","0.1204","","","","","","1.022","","","","has coordinates,has disorder","223994","2020-10-21","18:00:00",""
"7048508","15.5364","0.0018","10.1575","0.0012","16.462","0.002","90","","94.059","0.003","90","","2591.4","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 B N Ni O P -","- C25 H39 B N Ni O P -","- C100 H156 B4 N4 Ni4 O4 P4 -","4","1","","Gudun, Kristina A.; Segizbayev, Medet; Adamov, Assyl; Plessow, Philipp N.; Lyssenko, Konstantin A.; Balanay, Mannix P.; Khalimon, Andrey Y.","POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1732","1746","10.1039/c8dt04854a","","","0.71073","MoKα","","0.046","0.0332","","","0.078","0.0843","","","","","","1.006","","","","has coordinates","223994","2020-10-21","18:00:00",""
"7048509","5.1947","0.0007","13.717","0.002","10.9339","0.0016","90","","93.1","0.005","90","","777.96","0.19","100.15","","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H4 N2 S3 -","- C6 H4 N2 S3 -","- C24 H16 N8 S12 -","4","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0344","0.0344","","","0.0878","0.0879","","","","","","1.056","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048510","15.7488","0.001","10.253","0.0006","18.1104","0.0011","90","","90","","90","","2924.3","0.3","100.15","","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F12 N6 O4 P2 Ru S6 -","- C16 H14 F12 N6 O4 P2 Ru S6 -","- C64 H56 F48 N24 O16 P8 Ru4 S24 -","4","0.5","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0271","0.0228","","","0.0602","0.062","","","","","","1.042","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048511","5.6977","0.0006","21.813","0.002","7.5732","0.0011","90","","111.635","0.005","90","","874.92","0.18","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O2 S3 -","- C6 H4 N2 O2 S3 -","- C24 H16 N8 O8 S12 -","4","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0218","0.0214","","","0.0567","0.0569","","","","","","1.079","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048512","20.74","0.002","11.2518","0.0011","19.1696","0.0019","90","","110.755","0.005","90","","4183.2","0.7","100.15","","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl4 F12 N6 P2 Ru S9 -","- C20 H16 Cl4 F12 N6 P2 Ru S9 -","- C80 H64 Cl16 F48 N24 P8 Ru4 S36 -","4","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0907","0.0667","","","0.1639","0.1772","","","","","","1.02","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048513","9.9194","0.001","12.2967","0.0012","15.4919","0.0016","83.535","0.003","78.175","0.002","71.471","0.002","1751.4","0.3","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 F12 N6 P2 Ru S3 -","- C26 H20 F12 N6 P2 Ru S3 -","- C52 H40 F24 N12 P4 Ru2 S6 -","2","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0443","0.0357","","","0.0865","0.0909","","","","","","1.03","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048514","12.8317","0.0008","15.276","0.001","36.552","0.002","90","","90","","90","","7164.8","0.8","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H20 F12.2 N6 O2 P2 Ru S3 -","- C30 H20 F12.196 N6 O2 P2 Ru S3 -","- C240 H160 F97.568 N48 O16 P16 Ru8 S24 -","8","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.07","0.0588","","","0.1358","0.141","","","","","","1.122","","","","has coordinates,has disorder","224090","2020-10-21","18:00:00",""
"7048515","13.2844","0.0006","12.9331","0.0006","25.3545","0.0011","90","","93.727","0.002","90","","4346.9","0.3","100.15","","100.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 B Cl2 Cu F4 N2 O3 P2 S3 -","- C43 H34 B Cl2 Cu F4 N2 O3 P2 S3 -","- C172 H136 B4 Cl8 Cu4 F16 N8 O12 P8 S12 -","4","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0306","0.0278","","","0.0701","0.0716","","","","","","1.046","","","","has coordinates,has disorder","224090","2020-10-21","18:00:00",""
"7048516","12.6003","0.0014","13.8878","0.0015","15.3231","0.0016","72.305","0.004","71.948","0.004","66.698","0.004","2290.4","0.4","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C98.02 H104.06 B2.04 Cu2 F8.16 N2 O4 P4 S2 -","- C98.016 H104.056 B2.038 Cu2 F8.152 N2 O4 P4 S2 -","- C98.016 H104.056 B2.038 Cu2 F8.152 N2 O4 P4 S2 -","1","0.5","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0463","0.0388","","","0.1049","0.111","","","","","","1.058","","","","has coordinates,has disorder","224090","2020-10-21","18:00:00",""
"7048517","13.0385","0.0009","44.59","0.003","14.4382","0.0008","90","","94.266","0.002","90","","8370.9","0.9","100.15","","100.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C43.49 H35.63 B Cl0.34 Cu F4 N2 O1.33 P2 S3 -","- C43.487 H35.632 B Cl0.342 Cu F4 N2 O1.329 P2 S3 -","- C347.896 H285.056 B8 Cl2.736 Cu8 F32 N16 O10.632 P16 S24 -","8","2","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0442","0.0352","","","0.0847","0.0886","","","","","","1.057","","","","has coordinates,has disorder","224090","2020-10-21","18:00:00",""
"7048518","15.802","0.002","16.885","0.002","30.444","0.004","90","","98.742","0.002","90","","8028.6","1.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62.5 Eu2 N5.5 Na O18.5 -","- C61 H40 Eu2 N3 Na O16 -","- C244 H160 Eu8 N12 Na4 O64 -","4","1","","Xu, Shan; Shi, Jing-Jing; Ding, Bo; Liu, Zheng-Yu; Wang, Xiu-Guang; Zhao, Xiao-Jun; Yang, En-Cui","A heterometallic sodium(i)-europium(iii)-organic layer exhibiting dual-responsive luminescent sensing for nitrofuran antibiotics, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and MnO<sub>4</sub><sup>-</sup> anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1823","1834","10.1039/c8dt04208j","","","0.71073","MoKα","","0.0872","0.055","","","0.1224","0.1288","","","","","","1.099","","","","has coordinates,has disorder","224013","2020-10-21","18:00:00",""
"7048519","7.1573","0.001","10.8234","0.0016","34.496","0.005","90","","90","","90","","2672.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 B11 N S -","- C21 H32 B11 N S -","- C84 H128 B44 N4 S4 -","4","1","","Jin, Hyomin; Bae, Hye Jin; Kim, Seonah; Lee, Ji Hye; Hwang, Hyonseok; Park, Myung Hwan; Lee, Kang Mun","2-Phenylpyridine- and 2-(benzo[b]thiophen-2-yl)pyridine-based o-carboranyl compounds: impact of the structural formation of aromatic rings on photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1467","1476","10.1039/c8dt04367a","","","0.71073","MoKα","","0.1376","0.0689","","","0.1448","0.1756","","","","","","1.048","","","","has coordinates","224079","2020-10-21","18:00:00",""
"7048520","9.1649","0.0005","17.6824","0.0005","29.9758","0.0005","72.855","0.002","87.796","0.003","76.607","0.004","4513.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H81 Au3 N6 -","- C96 H81 Au3 N6 -","- C192 H162 Au6 N12 -","2","1","","Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W.","Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2275","2279","10.1039/c8dt04898c","","","1.54184","CuKα","","0.0945","0.0753","","","0.1986","0.2188","","","","","","0.959","","","","has coordinates","224310","2020-10-21","18:00:00",""
"7048521","9.61574","0.00016","52.1775","0.0011","17.2889","0.0003","90","","101.733","0.0016","90","","8493","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H82.05 Cl6 Cu3 N6 -","- C98 H82.05 Cl6 Cu3 N6 -","- C392 H328.2 Cl24 Cu12 N24 -","4","1","","Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W.","Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2275","2279","10.1039/c8dt04898c","","x-ray","1.54184","CuKα","","0.0867","0.0691","","","0.1614","0.1681","","","","","","1.035","","","","has coordinates,has disorder","224310","2020-10-21","18:00:00",""
"7048522","9.0044","0.0003","17.5149","0.0006","30.0739","0.0008","73.42","0.003","88.48","0.003","78.205","0.003","4447.2","0.3","200","10","200","10","","","","","","","","4","P -1","-P 1","2","","","","- C96 H81 Ag3 N6 -","- C96 H81 Ag3 N6 -","- C192 H162 Ag6 N12 -","2","1","","Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W.","Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2275","2279","10.1039/c8dt04898c","","","0.71073","MoKα","","0.1559","0.0648","","","0.1199","0.1422","","","","","","0.929","","","","has coordinates","224310","2020-10-21","18:00:00",""
"7048523","36.962","0.004","10.229","0.0011","16.7982","0.0018","90","","99.294","0.005","90","","6267.8","1.2","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Cl4 N2 P2 Pd -","- C31 H32 Cl4 N2 P2 Pd -","- C248 H256 Cl32 N16 P16 Pd8 -","8","1","","Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan","Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7203","7210","10.1039/c8dt03413c","","","0.71073","MoKα","","0.0403","0.0324","","","0.0766","0.0803","","","","","","1.06","","","","has coordinates,has disorder","224456","2020-10-21","18:00:00",""
"7048524","28.845","0.003","9.0434","0.001","23.141","0.003","90","","101.366","0.003","90","","5918.1","1.2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 Cl2 N2 Ni O1.5 P2 -","- C30 H33 Cl2 N2 Ni O1.5 P2 -","- C240 H264 Cl16 N16 Ni8 O12 P16 -","8","1","","Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan","Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7203","7210","10.1039/c8dt03413c","","","0.71073","MoKα","","0.0464","0.0334","","","0.0862","0.0936","","","","","","1.006","","","","has coordinates,has disorder","224456","2020-10-21","18:00:00",""
"7048525","9.4114","0.0014","12.154","0.002","15.368","0.002","70.883","0.008","88.024","0.008","71.058","0.007","1565.9","0.4","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 B0.7 Cl1.3 F2.8 N2 P2 Pd -","- C30 H30 B0.7 Cl1.3 F2.8 N2 P2 Pd -","- C60 H60 B1.4 Cl2.6 F5.6 N4 P4 Pd2 -","2","1","","Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan","Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7203","7210","10.1039/c8dt03413c","","","0.71073","MoKα","","0.0493","0.037","","","0.0962","0.1021","","","","","","1.05","","","","has coordinates,has disorder","224456","2020-10-21","18:00:00",""
"7048526","8.974","0.003","12.154","0.003","15.103","0.004","95.04","0.018","106.082","0.018","103.084","0.017","1521.6","0.8","298","2","297.75","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 B Cl F4 N2 Ni P2 -","- C30 H30 B Cl F4 N2 Ni P2 -","- C60 H60 B2 Cl2 F8 N4 Ni2 P4 -","2","1","","Subramaniyan, Vasudevan; Dutta, Bidisa; Govindaraj, Anbarasu; Mani, Ganesan","Facile synthesis of Pd(ii) and Ni(ii) pincer carbene complexes by the double C-H bond activation of a new hexahydropyrimidine-based bis(phosphine): catalysis of C-N couplings.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7203","7210","10.1039/c8dt03413c","","","0.71073","MoKα","","0.1295","0.071","","","0.1477","0.176","","","","","","1.068","","","","has coordinates,has disorder","224456","2020-10-21","18:00:00",""
"7048527","9.8478","0.0002","16.9303","0.0003","17.3365","0.0003","90","","100.764","0.0007","90","","2839.59","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(tBupz)2CHSiMe2Cl","","- C25 H45 Cl N4 Si -","- C25 H45 Cl N4 Si -","- C100 H180 Cl4 N16 Si4 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0835","0.0402","","0.0677","0.0413","0.0413","","","","","","1.12","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048528","19.749","0.0009","11.0055","0.0005","22.6313","0.001","90","","110.253","0.002","90","","4614.7","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg{(tBu2pz)2CHSiMe2NPh}({N(SiHMe2)2} . 0.75 C5H12","","- C38.75 H73 Mg N6 Si3 -","- C38.75 H73 Mg N6 Si3 -","- C155 H292 Mg4 N24 Si12 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.1757","0.0619","","0.1097","0.0591","0.0591","","","","","","1.1389","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048529","8.7597","0.0002","11.2019","0.0002","25.331","0.0006","90","","90","","90","","2485.61","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mg{(Me2pz)2CHSiMe2NPh}Bu","","- C23 H35 Mg N5 Si -","- C23 H35 Mg N5 Si -","- C92 H140 Mg4 N20 Si4 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.058","0.0414","","0.0585","0.0406","0.0378","","","","","","1.119","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048530","13.9372","0.0002","15.275","0.0002","20.1552","0.0002","90","","90","","90","","4290.86","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mg{(tBu2pz)2CHSiMe2NiPr}({N(SiMe3)2}","","- C37 H68 Mg N6 Si3 -","- C37 H68 Mg N6 Si3 -","- C148 H272 Mg4 N24 Si12 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0461","0.0357","","0.0421","0.0372","0.0372","","","","","","1.1189","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048531","8.8605","0.0001","19.3115","0.0002","19.2772","0.0002","90","","97.144","0.001","90","","3272.91","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HC(tBupz)2SiMe2N(H)Ph","(tBupz)2CHSiMe2NHPh","","- C31 H51 N5 Si -","- C31 H51 N5 Si -","- C124 H204 N20 Si4 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0565","0.0464","","","0.1183","0.1266","","","","","","1.023","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048532","10.3686","0.0002","13.7276","0.0004","11.7088","0.0003","90","","113.686","0.0015","90","","1526.19","0.07","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Mg{(Me2pz)2CHSiMe2NiPr}({N(SiMe3)2}","","- C22 H50 Mg N6 Si3 -","- C22 H50 Mg N6 Si3 -","- C44 H100 Mg2 N12 Si6 -","2","0.5","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.08","0.0544","","0.0746","0.0607","0.0607","","","","","","1.1675","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048533","12.4038","0.0002","18.3606","0.0003","17.3649","0.0003","90","","90.8103","0.0007","90","","3954.31","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mg{(Me2pz)2CHSiMe2NPh}2","","- C38 H53 Mg N10 Si2 -","- C38 H53 Mg N10 Si2 -","- C152 H212 Mg4 N40 Si8 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0981","0.0501","","0.0813","0.0482","0.0443","","","","","","1.1325","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048534","8.1821","0.0003","8.8902","0.0003","14.2556","0.0005","90.1009","0.0014","93.1351","0.0014","96.5529","0.0013","1028.61","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","Zn{(Me2pz)2CHSiMe2NiPr}Me","","- C17 H31 N5 Si Zn -","- C17 H31 N5 Si Zn -","- C34 H62 N10 Si2 Zn2 -","2","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.056","0.0471","","0.059","0.0536","0.0536","","","","","","1.0932","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048535","25.4552","0.0002","10.7201","0.0001","25.4576","0.0002","90","","95.6052","0.0004","90","","6913.71","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn{HC(tBupz)2SiMe2NPh}Me","","- C32 H53 N5 Si Zn -","- C32 H53 N5 Si Zn -","- C256 H424 N40 Si8 Zn8 -","8","2","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0625","0.0446","","0.0699","0.0541","0.0541","","","","","","0.9883","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048536","8.9736","0.0001","25.8526","0.0005","10.3274","0.0002","90","","110.105","0.0008","90","","2249.86","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn{(Me2pz)2CHSiMe2NPh}Me","","- C20 H29 N5 Si Zn -","- C20 H29 N5 Si Zn -","- C80 H116 N20 Si4 Zn4 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0709","0.0305","","0.0549","0.0307","0.0307","","","","","","1.1239","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048537","16.9775","0.0003","19.4673","0.0003","20.6194","0.0004","90","","90","","90","","6814.8","0.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mg{HC(tBupz)2SiMe2NiPr}Me","","- C29 H55 Mg N5 Si -","- C29 H55 Mg N5 Si -","- C232 H440 Mg8 N40 Si8 -","8","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0856","0.0379","","0.0888","0.0428","0.0428","","","","","","1.1009","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048538","10.8767","0.0003","17.7204","0.0005","16.2958","0.0005","90","","99.1999","0.0011","90","","3100.44","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg{(Me2pz)2CHSiMe2NPh}({N(SiMe3)2}","","- C25 H44 Mg N6 Si3 -","- C25 H44 Mg N6 Si3 -","- C100 H176 Mg4 N24 Si12 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.1264","0.0503","","0.0736","0.0498","0.0498","","","","","","1.1362","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048539","17.1451","0.0006","17.1531","0.0007","17.7334","0.0007","70.087","0.004","87.863","0.003","86.218","0.003","4892.1","0.3","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C144 H172 Eu12 N16 O76 -","- C144 H172 Eu12 N16 O76 -","- C144 H172 Eu12 N16 O76 -","1","0.5","","Dinca, Alina S.; Mindru, Alexei; Dragancea, Diana; Tiseanu, Carmen; Shova, Sergiu; Cornia, Samuele; Carrella, Luca M.; Rentschler, Eva; Affronte, Marco; Andruh, Marius","Aggregation of [Ln] clusters by the dianion of 3-formylsalicylic acid. Synthesis, crystal structures, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1700","1708","10.1039/c8dt04602f","","x-ray","0.71073","MoKα","","0.0794","0.0515","","","0.1229","0.1452","","","","","","1.066","","","","has coordinates,has disorder","224000","2020-10-21","18:00:00",""
"7048540","17.0435","0.0006","17.1107","0.0005","17.828","0.0006","71.221","0.003","84.773","0.003","87.821","0.003","4901.7","0.3","199.95","0.1","199.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C142.5 H168.5 Dy12 N15.5 O75.5 -","- C142.5 H168.5 Dy12 N15.5 O75.5 -","- C142.5 H168.5 Dy12 N15.5 O75.5 -","1","0.5","","Dinca, Alina S.; Mindru, Alexei; Dragancea, Diana; Tiseanu, Carmen; Shova, Sergiu; Cornia, Samuele; Carrella, Luca M.; Rentschler, Eva; Affronte, Marco; Andruh, Marius","Aggregation of [Ln] clusters by the dianion of 3-formylsalicylic acid. Synthesis, crystal structures, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1700","1708","10.1039/c8dt04602f","","x-ray","0.71073","MoKα","","0.0931","0.0565","","","0.1239","0.1473","","","","","","1.032","","","","has coordinates,has disorder","224000","2020-10-21","18:00:00",""
"7048541","17.2373","0.0012","17.238","0.0011","17.9087","0.0009","71.244","0.005","84.76","0.005","87.213","0.005","5016.6","0.6","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C141 H165 Gd12 N15 O75 -","- C141 H165 Gd12 N15 O75 -","- C141 H165 Gd12 N15 O75 -","1","0.5","","Dinca, Alina S.; Mindru, Alexei; Dragancea, Diana; Tiseanu, Carmen; Shova, Sergiu; Cornia, Samuele; Carrella, Luca M.; Rentschler, Eva; Affronte, Marco; Andruh, Marius","Aggregation of [Ln] clusters by the dianion of 3-formylsalicylic acid. Synthesis, crystal structures, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1700","1708","10.1039/c8dt04602f","","x-ray","0.71073","MoKα","","0.1185","0.0805","","","0.1812","0.2111","","","","","","1.04","","","","has coordinates,has disorder","224000","2020-10-21","18:00:00",""
"7048542","11.8367","0.0006","12.8422","0.0007","15.1912","0.0009","81.153","0.002","72.566","0.002","65.531","0.002","2004.08","0.19","100","","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H60 Br Fe K N2 O6 Si4 -","- C24 H60 Br Fe K N2 O6 Si4 -","- C48 H120 Br2 Fe2 K2 N4 O12 Si8 -","2","1","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0456","0.0308","","","0.0624","0.0667","","","","","","1.029","","","","has coordinates,has disorder","223997","2020-10-21","18:00:00",""
"7048543","11.9279","0.0008","17.7448","0.0012","20.9599","0.0015","111.463","0.002","97.733","0.002","99.677","0.002","3975.9","0.5","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H60 Cl2 Fe K N2 O6 Si4 -","- C24 H60 Cl2 Fe K N2 O6 Si4 -","- C96 H240 Cl8 Fe4 K4 N8 O24 Si16 -","4","2","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0657","0.0485","","","0.107","0.1141","","","","","","1.02","","","","has coordinates,has disorder","223997","2020-10-21","18:00:00",""
"7048544","8.658","0.0004","19.6164","0.0009","23.2135","0.001","90","","91.518","0.002","90","","3941.2","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Cl Fe K N2 O6 Si4 -","- C24 H60 Cl Fe K N2 O6 Si4 -","- C96 H240 Cl4 Fe4 K4 N8 O24 Si16 -","4","1","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0458","0.0351","","","0.0725","0.076","","","","","","1.078","","","","has coordinates","223997","2020-10-21","18:00:00",""
"7048545","10.1672","0.0004","23.713","0.0009","17.7834","0.0009","90","","92.968","0.002","90","","4281.7","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H65 Fe K N2 O6 Si4 -","- C30 H65 Fe K N2 O6 Si4 -","- C120 H260 Fe4 K4 N8 O24 Si16 -","4","1","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0685","0.0446","","","0.0977","0.1049","","","","","","1.031","","","","has coordinates,has disorder","223997","2020-10-21","18:00:00",""
"7048546","9.1092","0.0004","19.754","0.0009","23.9066","0.0009","94.594","0.001","96.924","0.001","96.112","0.002","4227.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H69 Fe K N2 O6 Si4 -","- C28 H69 Fe K N2 O6 Si4 -","- C112 H276 Fe4 K4 N8 O24 Si16 -","4","2","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0556","0.0355","","","0.0694","0.0756","","","","","","1.033","","","","has coordinates,has disorder","223997","2020-10-21","18:00:00",""
"7048547","9.0328","0.0009","19.98","0.002","24.078","0.003","91.857","0.004","94.986","0.004","92.202","0.004","4323.1","0.8","100","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H67 Fe K N2 O6 Si4 -","- C31 H67 Fe K N2 O6 Si4 -","- C124 H268 Fe4 K4 N8 O24 Si16 -","4","2","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.123","0.1083","","","0.2652","0.2697","","","","","","1.168","","","","has coordinates,has disorder","223997","2020-10-21","18:00:00",""
"7048548","12.1198","0.0005","18.0228","0.0007","20.7923","0.0009","111.893","0.001","98.352","0.002","99.436","0.001","4050.1","0.3","100.02","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H60 Br2 Fe K N2 O6 Si4 -","- C24 H60 Br2 Fe K N2 O6 Si4 -","- C96 H240 Br8 Fe4 K4 N8 O24 Si16 -","4","2","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0406","0.03","","","0.0665","0.0696","","","","","","1.026","","","","has coordinates,has disorder","223997","2020-10-21","18:00:00",""
"7048549","19.1913","0.0005","12.5055","0.0003","47.8877","0.0013","90","","92.617","0.001","90","","11480.9","0.5","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H180 F3 Fe3 K3 N6 O18 Si12 -","- C72 H180 F3 Fe3 K3 N6 O18 Si12 -","- C288 H720 F12 Fe12 K12 N24 O72 Si48 -","4","1","","Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.","C-Halide bond cleavage by a two-coordinate iron(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1757","1765","10.1039/c8dt05002c","","x-ray","0.71073","MoKα","","0.0364","0.0317","","","0.0772","0.079","","","","","","1.094","","","","has coordinates","223997","2020-10-21","18:00:00",""
"7048550","19.3201","0.0005","13.2499","0.0003","13.8392","0.0004","90","","97.12","0.001","90","","3515.37","0.16","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H58 Cd4 N16 O29 S4 -","- C56 H58 Cd4 N16 O29 S4 -","- C112 H116 Cd8 N32 O58 S8 -","2","0.5","","Gogia, Alisha; Mandal, Sanjay K.","A rational design and green synthesis of 3D metal organic frameworks containing a rigid heterocyclic nitrogen-rich dicarboxylate: structural diversity, CO<sub>2</sub> sorption and selective sensing of 2,4,6-TNP in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2388","2398","10.1039/c8dt04474k","","","0.71073","MoKα","","0.0276","0.025","","","0.0619","0.0634","","","","","","1.038","","","","has coordinates","224302","2020-10-21","18:00:00",""
"7048551","11.018","0.0012","11.018","0.0012","21.837","0.002","90","","90","","120","","2295.8","0.4","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H8 Cu N4 O4 S -","- C14 H8 Cu N4 O4 S -","- C84 H48 Cu6 N24 O24 S6 -","6","1","","Gogia, Alisha; Mandal, Sanjay K.","A rational design and green synthesis of 3D metal organic frameworks containing a rigid heterocyclic nitrogen-rich dicarboxylate: structural diversity, CO<sub>2</sub> sorption and selective sensing of 2,4,6-TNP in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2388","2398","10.1039/c8dt04474k","","","0.71073","MoKα","","0.0462","0.044","","","0.1077","0.1092","","","","","","1.047","","","","has coordinates","224302","2020-10-21","18:00:00",""
"7048552","9.9705","0.0002","9.9833","0.0002","16.69","0.0003","94.7874","0.0015","94.4024","0.0013","111.773","0.0011","1526.95","0.05","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 B Mo N7 O2 Se -","- C26 H42 B Mo N7 O2 Se -","- C52 H84 B2 Mo2 N14 O4 Se2 -","2","1","","Cade, Ian A.; Hill, Anthony F.; McQueen, Caitlin M. A.","Isoselenocarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2000","2012","10.1039/c8dt04947e","","","0.71073","MoKα","","0.0588","0.035","","0.0842","0.0783","0.0842","","","","","","0.8731","","","","has coordinates","224152","2020-10-21","18:00:00",""
"7048553","13.5618","0.0003","15.3628","0.0004","15.6564","0.0004","83.7605","0.0013","75.6795","0.0015","78.2821","0.0015","3088.86","0.13","200","","200","","","","","","","","Research School of Chemistry","10","P -1","-P 1","2","","","","- C61 H61 B Cl4 Mo N6 O2 P2 Ru Se -","- C61 H61 B Cl4 Mo N6 O2 P2 Ru Se -","- C122 H122 B2 Cl8 Mo2 N12 O4 P4 Ru2 Se2 -","2","1","","Cade, Ian A.; Hill, Anthony F.; McQueen, Caitlin M. A.","Isoselenocarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2000","2012","10.1039/c8dt04947e","","","0.71073","MoKα","","0.0662","0.0503","","0.1285","0.1228","0.1285","","","","","","1.0025","","","","has coordinates","224152","2020-10-21","18:00:00",""
"7048554","9.5378","0.0002","18.6556","0.0002","10.5052","0.0002","90","","115.551","0.0008","90","","1686.41","0.05","200","","200","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H37 B Mo N6 O4 Ru Se -","- C30 H37 B Mo N6 O4 Ru Se -","- C60 H74 B2 Mo2 N12 O8 Ru2 Se2 -","2","1","","Cade, Ian A.; Hill, Anthony F.; McQueen, Caitlin M. A.","Isoselenocarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2000","2012","10.1039/c8dt04947e","","","0.71073","MoKα","","0.0322","0.0248","","0.0663","0.0592","0.0663","","","","","","0.8228","","","","has coordinates","224152","2020-10-21","18:00:00",""
"7048555","15.596","0.0002","17.0224","0.0003","23.1922","0.0003","90","","101.019","0.001","90","","6043.58","0.15","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 B Mo N6 O4 P2 Ru Se -","- C56 H53 B Mo N6 O4 P2 Ru Se -","- C224 H212 B4 Mo4 N24 O16 P8 Ru4 Se4 -","4","1","","Cade, Ian A.; Hill, Anthony F.; McQueen, Caitlin M. A.","Isoselenocarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2000","2012","10.1039/c8dt04947e","","","0.71073","MoKα","","0.1092","0.0364","","0.2081","0.1175","0.2081","","","","","","1.0178","","","","has coordinates","224152","2020-10-21","18:00:00",""
"7048556","15.79","0.002","14.221","0.002","23.958","0.003","90","","106.126","0.005","90","","5168.1","1.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H151 Mn2 N4 O15.5 Si4 -","- C94 H151 Mn2 N4 O15.5 Si4 -","- C188 H302 Mn4 N8 O31 Si8 -","2","0.5","","Shova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, J.; Ozarowski, Andrew; Malček, Michal; Bucinsky, Lukas; Rapta, Peter; Cano, Joan; Telser, Joshua; Arion, Vladimir B.","Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5909","5922","10.1039/c8dt04596h","","","0.71073","MoKα","","0.0957","0.0779","","","0.2045","0.217","","","","","","1.03","","","","has coordinates,has disorder","224401","2020-10-21","18:00:00",""
"7048557","11.8837","0.0017","12.7755","0.0019","18.564","0.003","73.414","0.005","81.359","0.005","72.378","0.005","2568.1","0.7","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H144 Cl8 Mn2 N4 O10 Si4 -","- C92 H144 Cl8 Mn2 N4 O10 Si4 -","- C92 H144 Cl8 Mn2 N4 O10 Si4 -","1","0.5","","Shova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, J.; Ozarowski, Andrew; Malček, Michal; Bucinsky, Lukas; Rapta, Peter; Cano, Joan; Telser, Joshua; Arion, Vladimir B.","Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5909","5922","10.1039/c8dt04596h","","","0.71073","MoKα","","0.0838","0.0765","","","0.2179","0.227","","","","","","1.061","","","","has coordinates","224401","2020-10-21","18:00:00",""
"7048558","13.7007","0.0007","14.7166","0.0007","15.9617","0.0008","67.7592","0.0016","66.1603","0.0017","79.2085","0.0017","2722.5","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H146 Cl12 Mn2 N4 O10 Si4 -","- C90 H146 Cl12 Mn2 N4 O10 Si4 -","- C90 H146 Cl12 Mn2 N4 O10 Si4 -","1","0.5","","Shova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, J.; Ozarowski, Andrew; Malček, Michal; Bucinsky, Lukas; Rapta, Peter; Cano, Joan; Telser, Joshua; Arion, Vladimir B.","Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5909","5922","10.1039/c8dt04596h","","","0.71073","MoKα","","0.0781","0.0539","","","0.1516","0.1653","","","","","","1.04","","","","has coordinates,has disorder","224401","2020-10-21","18:00:00",""
"7048559","15.1953","0.0008","11.9962","0.0006","14.2787","0.0008","90","","103.94","0.005","90","","2526.1","0.2","190","2","190.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N5 Pt -","- C33 H21 N5 Pt -","- C132 H84 N20 Pt4 -","4","1","","Etchells, Isaac M.; Pfrunder, Michael C.; Williams, J. A. Gareth; Moore, Evan G.","Quantification of energy transfer in bimetallic Pt(ii)-Ln(iii) complexes featuring an N^C^N-cyclometallating ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2142","2149","10.1039/c8dt04640a","","x-ray","0.71073","MoKα","","0.0602","0.042","","","0.0725","0.0815","","","","","","1.015","","","","has coordinates","224148","2020-10-21","18:00:00",""
"7048560","5.9967","0.0009","28.244","0.005","7.6942","0.0012","90","","111.292","0.005","90","","1214.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N3 Na O5 S -","- C10 H10 N3 Na O5 S -","- C40 H40 N12 Na4 O20 S4 -","4","1","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0511","0.0381","","","0.0829","0.0874","","","","","","1.09","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048561","6.9078","0.0003","27.7995","0.0012","8.5286","0.0004","90","","101.458","0.002","90","","1605.14","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N6 Na2 O18 S2 -","- C20 H32 N6 Na2 O18 S2 -","- C40 H64 N12 Na4 O36 S4 -","2","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0612","0.0453","","","0.1142","0.1288","","","","","","1.021","","","","has coordinates,has disorder","223996","2020-10-21","18:00:00",""
"7048562","9.589","0.002","13.188","0.003","11.558","0.002","90","","108.545","0.004","90","","1385.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cu N6 O14 S2 -","- C20 H28 Cu N6 O14 S2 -","- C40 H56 Cu2 N12 O28 S4 -","2","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0743","0.0419","","","0.0911","0.1045","","","","","","1.02","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048563","7.4839","0.0011","11.1918","0.0015","16.739","0.003","106.232","0.01","102.07","0.01","97.821","0.01","1287.8","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Cu N8 O18 S2 -","- C46 H58 Cu N8 O18 S2 -","- C46 H58 Cu N8 O18 S2 -","1","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.2432","0.0916","","","0.1987","0.271","","","","","","0.985","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048564","21.9238","0.0018","6.6867","0.0005","22.2697","0.0017","90","","90","","90","","3264.7","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu N3 O9 S -","- C10 H17 Cu N3 O9 S -","- C80 H136 Cu8 N24 O72 S8 -","8","1","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0733","0.042","","","0.1036","0.1263","","","","","","1.089","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048565","7.3204","0.0013","12.411","0.002","13.597","0.002","86.394","0.009","75.139","0.009","75.607","0.01","1156.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 N6 Na2 O14 S2 -","- C44 H48 N6 Na2 O14 S2 -","- C44 H48 N6 Na2 O14 S2 -","1","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0626","0.0432","","","0.1038","0.1158","","","","","","1.013","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048566","7.0948","0.0007","13.2858","0.0011","16.1728","0.0015","90","","100.556","0.003","90","","1498.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cu N6 O16 S2 -","- C20 H28 Cu N6 O16 S2 -","- C40 H56 Cu2 N12 O32 S4 -","2","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0782","0.0497","","","0.1075","0.1234","","","","","","1.048","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048567","9.3348","0.0007","17.2988","0.0012","18.2151","0.0013","91.687","0.002","99.237","0.002","91.912","0.003","2899.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H44 B Fe N2 Na O10 -","- C20 H44 B Fe N2 Na O10 -","- C80 H176 B4 Fe4 N8 Na4 O40 -","4","2","","Huang, Huang-Chia; Ching, Wei-Min; Tseng, Yu-Ting; Chen, Chien-Hong; Lu, Tsai-Te","Transformation of the hydride-containing dinitrosyl iron complex [(NO)<sub>2</sub>Fe(η<sup>2</sup>-BH<sub>4</sub>)]<sup>-</sup> into [(NO)<sub>2</sub>Fe(η<sup>3</sup>-HCS<sub>2</sub>)]<sup>-</sup>via reaction with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5897","5902","10.1039/c8dt04714f","","","0.71073","MoKα","","0.1174","0.1094","","","0.2181","0.2214","","","","","","1.189","","","","has coordinates,has disorder","224411","2020-10-21","18:00:00",""
"7048568","17.1637","0.0004","9.4306","0.0002","18.6308","0.0005","90","","90.166","0.001","90","","3015.64","0.12","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Fe N2 Na O10 S2 -","- C21 H41 Fe N2 Na O10 S2 -","- C84 H164 Fe4 N8 Na4 O40 S8 -","4","1","","Huang, Huang-Chia; Ching, Wei-Min; Tseng, Yu-Ting; Chen, Chien-Hong; Lu, Tsai-Te","Transformation of the hydride-containing dinitrosyl iron complex [(NO)<sub>2</sub>Fe(η<sup>2</sup>-BH<sub>4</sub>)]<sup>-</sup> into [(NO)<sub>2</sub>Fe(η<sup>3</sup>-HCS<sub>2</sub>)]<sup>-</sup>via reaction with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5897","5902","10.1039/c8dt04714f","","","0.71073","MoKα","","0.0602","0.0446","","","0.1088","0.1209","","","","","","1.031","","","","has coordinates,has disorder","224411","2020-10-21","18:00:00",""
"7048569","22.8836","0.0006","12.2462","0.0003","45.2221","0.0012","90","","90","","90","","12672.9","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(MeClamp)Ti . 2 CH3CN","κ6-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]titanium(IV) diacetonitrile solvate","","- C67 H84 N6 O3 Ti -","- C67 H84 N6 O3 Ti -","- C536 H672 N48 O24 Ti8 -","8","1","","Marshall-Roth, Travis; Yao, Kun; Parkhill, John A.; Brown, Seth N.","On the border between localization and delocalization: tris(iminoxolene)titanium(iv).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1427","1435","10.1039/c8dt04528c","","","1.54178","CuKα","","0.0421","0.0406","","","0.1106","0.1118","","","","","","1.039","","","","has coordinates,has disorder","224073","2020-10-21","18:00:00",""
"7048570","23.783","0.003","9.9498","0.001","18.2611","0.0019","90","","113.215","0.001","90","","3971.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 B Cl3 N O3 -","- C22 H15 B Cl3 N O3 -","- C176 H120 B8 Cl24 N8 O24 -","8","1","","Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi","Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2118","2127","10.1039/c8dt00128f","","","0.71073","MoKα","","0.0474","0.0444","","","0.1192","0.1218","","","","","","1.042","","","","has coordinates,has disorder","224145","2020-10-21","18:00:00",""
"7048571","14.9464","0.0015","14.1675","0.0014","19.4407","0.0019","90","","107.427","0.001","90","","3927.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 B2 N4 O6 -","- C50 H38 B2 N4 O6 -","- C200 H152 B8 N16 O24 -","4","1","","Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi","Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2118","2127","10.1039/c8dt00128f","","","0.71073","MoKα","","0.06","0.0413","","","0.1226","0.14","","","","","","0.98","","","","has coordinates","224145","2020-10-21","18:00:00",""
"7048572","17.996","0.003","8.254","0.0016","10.502","0.003","90","","90","","90","","1560","0.6","223","3","223","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C37 H46 B N O3 -","- C37 H22 B N O3 -","- C74 H44 B2 N2 O6 -","2","0.5","","Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi","Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2118","2127","10.1039/c8dt00128f","","","0.71073","MoKα","","0.0962","0.0802","","","0.2337","0.2548","","","","","","1.019","","","","has coordinates","224145","2020-10-21","18:00:00",""
"7048573","12.3081","0.0006","18.8028","0.001","27.2978","0.0013","90","","92.387","0.004","90","","6312","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 Mo N2 O5 -","- C64 H94 Mo N2 O5 -","- C256 H376 Mo4 N8 O20 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0686","0.0336","","","0.0674","0.0731","","","","","","0.817","","","","has coordinates","212970","2020-10-21","18:00:00",""
"7048574","17.8943","0.0006","18.8664","0.0006","22.3021","0.0008","69.326","0.003","89.921","0.003","64.793","0.003","6274.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H172 Mo2 O10 -","- C128 H172 Mo2 O10 -","- C256 H344 Mo4 O20 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","1.54184","CuKα","","0.1043","0.0847","","","0.2267","0.2442","","","","","","1.062","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048575","18.8177","0.0014","19.7659","0.0015","10.7727","0.0008","90","","90","","90","","4006.9","0.5","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H116 Li2 Mo2 N4 O10 -","- C76 H116 Li2 Mo2 N4 O10 -","- C152 H232 Li4 Mo4 N8 O20 -","2","0.5","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0782","0.051","","","0.0919","0.1022","","","","","","1.012","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048576","12.4077","0.0005","17.8693","0.0008","27.6221","0.0012","90","","92.32","0.002","90","","6119.3","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H102 Mo O5 -","- C66 H88 Mo O5 -","- C264 H352 Mo4 O20 -","4","0.5","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0384","0.0329","","","0.0851","0.088","","","","","","1.104","","","","has coordinates","212970","2020-10-21","18:00:00",""
"7048577","12.76192","0.0001","12.76192","0.0001","12.52433","0.00018","90","","90","","90","","2039.8","0.04","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C46 H55 N O5 W -","- C46 H55 N O5 W -","- C92 H110 N2 O10 W2 -","2","","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0228","0.0228","","","0.0698","0.0698","","","","","","1.121","","","","has coordinates","212970","2020-10-21","18:00:00",""
"7048578","12.2064","0.0001","18.6584","0.0001","27.3246","0.0002","90","","91.99","0.001","90","","6219.48","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 N2 O5 W -","- C64 H94 N2 O5 W -","- C256 H376 N8 O20 W4 -","4","1","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.025","0.0246","","","0.0579","0.0581","","","","","","1.191","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048579","12.7438","0.0004","12.7438","0.0004","12.5551","0.0008","90","","90","","90","","2039","0.16","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C46 H55 Mo N O5 -","- C46 H55 Mo N O5 -","- C92 H110 Mo2 N2 O10 -","2","","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.1076","0.0738","","","0.1761","0.1938","","","","","","1.039","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048580","17.9604","0.0004","18.9135","0.0005","22.3389","0.0005","69.394","0.002","90.178","0.002","64.723","0.002","6316.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H172 O10 W2 -","- C128 H172 O10 W2 -","- C256 H344 O20 W4 -","2","1","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0984","0.0621","","","0.1132","0.1238","","","","","","1.075","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048581","26.8222","0.0019","10.0205","0.0007","40.384","0.003","90","","105.795","0.001","90","","10444.3","1.3","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H62.5 Cl2 N3.5 O4 W -","- C51 H62.5 Cl2 N3.5 O4 W -","- C408 H500 Cl16 N28 O32 W8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0478","0.0373","","","0.0724","0.0754","","","","","","1.191","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048582","27.3856","0.0001","27.3856","0.0001","26.848","0.0002","90","","90","","90","","20135.2","0.18","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H73 N O6 W -","- C54 H73 N O6 W -","- C864 H1168 N16 O96 W16 -","16","","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","x-ray","0.71073","MoKα","","0.0349","0.0321","","","0.0612","0.062","","","","","","1.279","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048583","13.3399","0.0007","18.5018","0.0009","21.0181","0.001","108.303","0.002","106.247","0.002","92.989","0.002","4672.3","0.4","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C95 H76 Cu5 Eu F3 N16 O20 S -","- C95 H72 Cu5 Eu F3 N16 O18 S -","- C190 H144 Cu10 Eu2 F6 N32 O36 S2 -","2","1","","Wang, Jin; Ruan, Ze-Yu; Li, Quan-Wen; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Reta, Daniel; Chilton, Nicholas F.; Wang, Zhen-Xing; Tong, Ming-Liang","Slow magnetic relaxation in a {EuCu<sub>5</sub>} metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1686","1692","10.1039/c8dt04814b","","","0.71073","MoKα","","0.0719","0.0488","","","0.1103","0.1198","","","","","","1.021","","","","has coordinates","223992","2020-10-21","18:00:00",""
"7048584","13.3798","0.0006","18.4376","0.0008","21.1189","0.001","108.072","0.002","106.38","0.002","93.023","0.002","4695.3","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C95 H76 Cu5 F3 Lu N16 O20 S -","- C95 H72 Cu5 F3 Lu N16 O18 S -","- C190 H144 Cu10 F6 Lu2 N32 O36 S2 -","2","1","","Wang, Jin; Ruan, Ze-Yu; Li, Quan-Wen; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Reta, Daniel; Chilton, Nicholas F.; Wang, Zhen-Xing; Tong, Ming-Liang","Slow magnetic relaxation in a {EuCu<sub>5</sub>} metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1686","1692","10.1039/c8dt04814b","","","0.71073","MoKα","","0.0582","0.0432","","","0.1075","0.1167","","","","","","1.039","","","","has coordinates","223992","2020-10-21","18:00:00",""
"7048585","9.2912","0.0006","17.6962","0.0012","12.8115","0.0009","90","","97.226","0.002","90","","2089.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 F6 Fe N4 P -","- C16 H22 Cl2 F6 Fe N4 P -","- C64 H88 Cl8 F24 Fe4 N16 P4 -","4","1","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","0.71073","MoKα","","0.0412","0.039","","","0.1028","0.1044","","","","","","1.128","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048586","14.1995","0.0007","8.0887","0.0005","15.09","0.0008","90","","90","","90","","1733.17","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H22 Cl2 Fe N4 -","- C16 H22 Cl2 Fe N4 -","- C64 H88 Cl8 Fe4 N16 -","4","0.5","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","0.71073","MoKα","","0.0433","0.0289","","","0.0642","0.0694","","","","","","1.049","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048587","10.0933","0.0006","11.4226","0.0007","17.1223","0.001","90","","95.803","0.002","90","","1963.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl2 Fe N4 O2 -","- C18 H26 Cl2 Fe N4 O2 -","- C72 H104 Cl8 Fe4 N16 O8 -","4","0.5","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","0.71073","MoKα","","0.0231","0.022","","","0.056","0.0566","","","","","","1.08","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048588","12.2396","0.0006","10.704","0.0005","22.9106","0.0011","90","","97.493","0.002","90","","2975.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Fe N6 O3 -","- C26 H42 Cl2 Fe N6 O3 -","- C104 H168 Cl8 Fe4 N24 O12 -","4","1","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","1.54178","CuKα","","0.0286","0.026","","","0.0639","0.0657","","","","","","0.954","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048589","8.5565","0.0003","11.9424","0.0005","8.8195","0.0004","90","","105.296","0.001","90","","869.3","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O2 -","- C18 H26 N4 O2 -","- C36 H52 N8 O4 -","2","0.5","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","1.54178","CuKα","","0.0368","0.0354","","","0.0858","0.0872","","","","","","1.055","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048590","10.974","0.0019","12.663","0.002","13.902","0.003","107.517","0.002","108.43","0.002","96.563","0.002","1700.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 F12 Fe N6 O2 P2 -","- C26 H40 F12 Fe N6 O2 P2 -","- C52 H80 F24 Fe2 N12 O4 P4 -","2","1","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","0.71073","MoKα","","0.0608","0.0495","","","0.1251","0.1362","","","","","","1.04","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048591","10.5537","0.0006","11.644","0.0006","17.9699","0.001","90","","100.349","0.002","90","","2172.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl2 Fe N5 O -","- C19 H27 Cl2 Fe N5 O -","- C76 H108 Cl8 Fe4 N20 O4 -","4","1","","Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.","O-H and (CO)N-H bond weakening by coordination to Fe(ii).","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2179","2189","10.1039/c8dt04689a","","","0.71073","MoKα","","0.0789","0.0637","","","0.1548","0.1688","","","","","","1.075","","","","has coordinates","224143","2020-10-21","18:00:00",""
"7048592","12.3587","0.0005","12.4755","0.0005","11.0104","0.0004","90","","107.929","0.0013","90","","1615.16","0.11","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O S -","- C17 H19 Br O S -","- C68 H76 Br4 O4 S4 -","4","1","","Deak, Noemi; Thillaye du Boullay, Olivier; Moraru, Ionut-Tudor; Mallet-Ladeira, Sonia; Madec, David; Nemes, Gabriela","A non-symmetric sulfur-based O,C,O-chelating pincer ligand leading to chiral germylene and stannylene.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2399","2406","10.1039/c8dt05116j","","","0.71073","MoKα","","0.057","0.0364","","","0.1089","0.1256","","","","","","0.916","","","","has coordinates","224311","2020-10-21","18:00:00",""
"7048593","9.035","0.004","9.959","0.004","13.309","0.01","100.829","0.017","101.45","0.03","102.442","0.015","1112.4","1.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O3 S2 -","- C24 H26 O3 S2 -","- C48 H52 O6 S4 -","2","1","","Deak, Noemi; Thillaye du Boullay, Olivier; Moraru, Ionut-Tudor; Mallet-Ladeira, Sonia; Madec, David; Nemes, Gabriela","A non-symmetric sulfur-based O,C,O-chelating pincer ligand leading to chiral germylene and stannylene.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2399","2406","10.1039/c8dt05116j","","","0.71073","MoKα","","0.0553","0.0475","","","0.1095","0.1129","","","","","","1.12","","","","has coordinates,has disorder","224311","2020-10-21","18:00:00",""
"7048594","9.5483","0.0007","9.7909","0.0007","13.8355","0.001","75.257","0.002","89.804","0.002","84.233","0.003","1244.19","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl O3 S2 Sn -","- C24 H25 Cl O3 S2 Sn -","- C48 H50 Cl2 O6 S4 Sn2 -","2","1","","Deak, Noemi; Thillaye du Boullay, Olivier; Moraru, Ionut-Tudor; Mallet-Ladeira, Sonia; Madec, David; Nemes, Gabriela","A non-symmetric sulfur-based O,C,O-chelating pincer ligand leading to chiral germylene and stannylene.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2399","2406","10.1039/c8dt05116j","","","0.71073","MoKα","","0.0438","0.03","","","0.0633","0.0684","","","","","","1.029","","","","has coordinates","224311","2020-10-21","18:00:00",""
"7048595","9.4696","0.0007","9.6861","0.0007","13.773","0.001","105.093","0.002","90.07","0.002","94.398","0.002","1215.84","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl Ge O3 S2 -","- C24 H25 Cl Ge O3 S2 -","- C48 H50 Cl2 Ge2 O6 S4 -","2","1","","Deak, Noemi; Thillaye du Boullay, Olivier; Moraru, Ionut-Tudor; Mallet-Ladeira, Sonia; Madec, David; Nemes, Gabriela","A non-symmetric sulfur-based O,C,O-chelating pincer ligand leading to chiral germylene and stannylene.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2399","2406","10.1039/c8dt05116j","","","0.71073","MoKα","","0.0444","0.0333","","","0.0829","0.0883","","","","","","1.047","","","","has coordinates","224311","2020-10-21","18:00:00",""
"7048596","12.7979","0.0006","13.2777","0.0006","16.135","0.0009","84.604","0.002","77.121","0.002","70.633","0.002","2520.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H51 F6 N3 O6 P2 Pd S2 -","- C52 H51 F6 N3 O6 P2 Pd S2 -","- C104 H102 F12 N6 O12 P4 Pd2 S4 -","2","1","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","","0.71073","MoKα","","0.057","0.0415","","0.0576","0.0418","0.0403","","","","","","1.1235","","","","has coordinates","223998","2020-10-21","18:00:00",""
"7048597","25.8085","0.001","13.8014","0.0006","18.8584","0.0014","90","","126.545","0.001","90","","5396.6","0.5","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C52 H49 Cl2 F6 N3 O6 P2 Pd S2 -","- C52 H49 Cl2 F6 N3 O6 P2 Pd S2 -","- C208 H196 Cl8 F24 N12 O24 P8 Pd4 S8 -","4","0.5","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","x-ray","0.71073","MoKα","","0.0354","0.0315","","","0.0756","0.0786","","","","","","1.044","","","","has coordinates","223998","2020-10-21","18:00:00",""
"7048598","12.9726","0.0006","14.7721","0.0007","16.7001","0.0008","88.082","0.001","73.571","0.001","65.144","0.001","2771.8","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H54.45 Cl F6 N4 O6 P2 Pd S2 -","- C54 H54.445 Cl F6 N4 O6 P2 Pd S2 -","- C108 H108.89 Cl2 F12 N8 O12 P4 Pd2 S4 -","2","1","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","x-ray","0.71073","MoKα","","0.0345","0.0323","","","0.089","0.0914","","","","","","1.031","","","","has coordinates","223998","2020-10-21","18:00:00",""
"7048599","10","0.007","13.831","0.01","21.778","0.014","85.044","0.017","79.313","0.018","89.59","0.02","2949","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 F9 N2 O9 P2 S3 -","- C48 H45 F9 N2 O9 P2 S3 -","- C96 H90 F18 N4 O18 P4 S6 -","2","1","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","x-ray","0.71073","MoKα","","0.0653","0.0619","","","0.1416","0.1438","","","","","","1.154","","","","has coordinates,has disorder","223998","2020-10-21","18:00:00",""
"7048600","13.6658","0.0009","17.1283","0.001","21.6507","0.0013","90","","91.366","0.002","90","","5066.4","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H52.2 F6 N3 O6.6 P2 Pd S2 -","- C52 H51 F6 N3 O6.6 P2 Pd S2 -","- C208 H204 F24 N12 O26.4 P8 Pd4 S8 -","4","1","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","","0.71073","MoKα","","0.1383","0.084","","0.1306","0.0871","0.0857","","","","","","1.1047","","","","has coordinates","223998","2020-10-21","18:00:00",""
"7048601","15.3294","0.0006","15.1363","0.0006","18.3583","0.0007","90","","90","","90","","4259.7","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Br N2 P -","- C24 H24 Br N2 P -","- C192 H192 Br8 N16 P8 -","8","1","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","","0.71073","MoKα","","0.0309","0.0252","","0.0331","0.0251","0.0243","","","","","","1.0921","","","","has coordinates","223998","2020-10-21","18:00:00",""
"7048602","8.816","0.0008","10.9385","0.0009","14.2052","0.0013","91.625","0.003","97.465","0.003","95.545","0.003","1350.7","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C20 H20 Cu I2 K2 O5 P S -","- C20 H20 Cu I2 K2 O5 P S -","- C40 H40 Cu2 I4 K4 O10 P2 S2 -","2","1","","Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu","Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2128","2134","10.1039/c8dt04502j","","x-ray","0.71073","MoKα","","0.0762","0.0584","","","0.1497","0.1622","","","","","","1.057","","","","has coordinates","224164","2020-10-21","18:00:00",""
"7048603","10.38","0.0004","11.5408","0.0004","14.0557","0.0004","87.064","0.001","86.382","0.001","86.785","0.001","1675.86","0.1","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C36 H28 Cu K O6 P2 S2 -","- C36 H28 Cu K O6 P2 S2 -","- C72 H56 Cu2 K2 O12 P4 S4 -","2","1","","Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu","Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2128","2134","10.1039/c8dt04502j","","x-ray","0.71073","MoKα","","0.0331","0.028","","","0.0735","0.0827","","","","","","1.134","","","","has coordinates","224164","2020-10-21","18:00:00",""
"7048604","11.7847","0.0004","9.0047","0.0003","20.0552","0.0007","90","","97.723","0.001","90","","2108.91","0.12","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cu O5 P S -","- C19 H26 Cu O5 P S -","- C76 H104 Cu4 O20 P4 S4 -","4","1","","Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu","Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2128","2134","10.1039/c8dt04502j","","x-ray","0.71073","MoKα","","0.0342","0.0297","","","0.0954","0.1013","","","","","","0.954","","","","has coordinates","224164","2020-10-21","18:00:00",""
"7048605","16.509","0.002","8.8665","0.0012","19.163","0.002","90","","106.257","0.004","90","","2692.9","0.6","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N4 O3 P S -","- C26 H26 Cu N4 O3 P S -","- C104 H104 Cu4 N16 O12 P4 S4 -","4","1","","Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu","Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2128","2134","10.1039/c8dt04502j","","x-ray","0.71073","MoKα","","0.0416","0.0326","","","0.0788","0.0837","","","","","","1.037","","","","has coordinates","224164","2020-10-21","18:00:00",""
"7048606","8.3918","0.0007","9.9958","0.0007","12.8416","0.001","109.783","0.002","108.389","0.002","93.792","0.002","943.65","0.13","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C36 H42 Cu2 N2 O6 P2 S2 -","- C36 H42 Cu2 N2 O6 P2 S2 -","- C36 H42 Cu2 N2 O6 P2 S2 -","1","0.5","","Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu","Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2128","2134","10.1039/c8dt04502j","","x-ray","0.71073","MoKα","","0.0295","0.028","","","0.0813","0.0826","","","","","","1.18","","","","has coordinates","224164","2020-10-21","18:00:00",""
"7048607","8.7999","0.0008","18.226","0.002","17.1438","0.0019","90","","96.313","0.004","90","","2733","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cu N3 O5 P S -","- C26 H27 Cu N3 O5 P S -","- C104 H108 Cu4 N12 O20 P4 S4 -","4","1","","Vacher, Antoine; Amar, Anissa; Camerel, Franck; Molard, Yann; Latouche, Camille; Roisnel, Thierry; Dorcet, Vincent; Boucekkine, Abdou; Akdas-Kiliç, Huriye; Achard, Mathieu","Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2128","2134","10.1039/c8dt04502j","","x-ray","0.71073","MoKα","","0.0354","0.0281","","","0.0723","0.0769","","","","","","0.963","","","","has coordinates","224164","2020-10-21","18:00:00",""
"7048608","11.8996","0.0006","12.0868","0.0005","16.6138","0.0008","90","","109.756","0.005","90","","2248.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 I2 N4 O Pd -","- C18 H22 I2 N4 O Pd -","- C72 H88 I8 N16 O4 Pd4 -","4","1","","Rendón-Nava, David; Álvarez-Hernández, Alejandro; Rheingold, Arnold L.; Suárez-Castillo, Oscar R; Mendoza-Espinosa, Daniel","Hydroxyl-functionalized triazolylidene-based PEPPSI complexes: metallacycle formation effect on the Suzuki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3214","3222","10.1039/c8dt04432e","","x-ray","0.71073","MoKα","","0.0442","0.0326","","","0.0729","0.0839","","","","","","1.119","","","","has coordinates","223809","2020-10-21","18:00:00",""
"7048609","9.8862","0.0002","15.2996","0.0004","17.2513","0.0003","79.583","0.002","88.011","0.002","88.42","0.002","2564.19","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 Cl3 I4 N8 O2 Pd2 -","- C39 H44 Cl3 I4 N8 O2 Pd2 -","- C78 H88 Cl6 I8 N16 O4 Pd4 -","2","1","","Rendón-Nava, David; Álvarez-Hernández, Alejandro; Rheingold, Arnold L.; Suárez-Castillo, Oscar R; Mendoza-Espinosa, Daniel","Hydroxyl-functionalized triazolylidene-based PEPPSI complexes: metallacycle formation effect on the Suzuki coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3214","3222","10.1039/c8dt04432e","","","0.71073","MoKα","","0.0506","0.0406","","","0.1051","0.1138","","","","","","1.073","","","","has coordinates","223809","2020-10-21","18:00:00",""
"7048610","12.6941","0.0016","13.8767","0.0018","22.845","0.003","90","","90.525","0.004","90","","4024","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N6 Ni O14 S -","- C39 H38 N6 Ni O14 S -","- C156 H152 N24 Ni4 O56 S4 -","4","1","","Yang, Shuai-Liang; Yuan, Yue-Ying; Ren, Fei; Zhang, Chen-Xi; Wang, Qing-Lun","High proton conductivity in a nickel(ii) complex and its hybrid membrane.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2190","2196","10.1039/c8dt04171g","","","0.71073","MoKα","","0.0379","0.0304","","","0.0736","0.0766","","","","","","1.016","","","","has coordinates","224141","2020-10-21","18:00:00",""
"7048611","24.8256","0.0004","24.8256","0.0004","26.7247","0.0008","90","","90","","120","","14264.1","0.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H26 Co Li2 N2 O11 -","- C22 H8 Co Li2 N2 O11 -","- C396 H144 Co18 Li36 N36 O198 -","18","1","","Du, Zhen-Qiang; Li, Yong-Peng; Wang, Xing-Xia; Wang, Juan; Zhai, Quan-Guo","Enhanced electrochemical performance of Li-Co-BTC ternary metal-organic frameworks as cathode materials for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2013","2018","10.1039/c8dt04863k","","","0.71073","MoKα","","0.0528","0.0427","","","0.1352","0.1416","","","","","","1.098","","","","has coordinates","224162","2020-10-21","18:00:00",""
"7048612","14.5515","0.0001","14.5515","0.0001","17.66","0.0002","90","","90","","90","","3739.44","0.06","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","PtMn07I","","","- C36 I1.7 Mn2 N8 O4 Pt -","- C36 I1.7 Mn2 N8 O4 Pt -","- C144 I6.8 Mn8 N32 O16 Pt4 -","4","","","Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers","Dalton Transactions","2019","","","","","10.1039/C8DT04624G","powder diffraction","","1","synchrotron","","0.02369","","","","","","0.02285","0.04942","0.2079","","","","","","","has coordinates","213058","2020-10-21","18:00:00",""
"7048613","14.703","0.0004","14.4342","0.0005","17.5493","0.0009","90","","90","","90","","3724.4","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","PtMn03I","","","- C36 I0.9 Mn2 N8 O4 Pt -","- C36 I0.9 Mn2 N8 O4 Pt -","- C144 I3.6 Mn8 N32 O16 Pt4 -","4","0.5","","Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers","Dalton Transactions","2019","","","","","10.1039/C8DT04624G","powder diffraction","","1","synchrotron","","0.02244","","","","","","0.0229","0.05729","0.3619","","","","","","","has coordinates","213058","2020-10-21","18:00:00",""
"7048614","14.682","0.001","14.687","0.001","17.096","0.0008","90","","90","","90","","3686.5","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","PtMn01I","","","- C36 I0.36 Mn2 N8 O4 Pt -","- C36 I0.36 Mn2 N8 O4 Pt -","- C144 I1.44 Mn8 N32 O16 Pt4 -","4","0.5","","Ohtani, Ryo; Yamamoto, Riho; Ohtsu, Hiroyoshi; Kawano, Masaki; Pirillo, Jenny; Hijikata, Yuh; Sadakiyo, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Consecutive oxidative additions of iodine on undulating 2D coordination polymers: formation of I‒Pt‒I chains and inhomogeneous layers","Dalton Transactions","2019","","","","","10.1039/C8DT04624G","powder diffraction","","1","synchrotron","","0.04271","","","","","","0.04398","0.08016","0.2316","","","","","","","has coordinates","213058","2020-10-21","18:00:00",""
"7048615","6.0559","0.0003","22.1208","0.0011","12.1647","0.0006","90","","94.721","0.005","90","","1624.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pb4(2,6-ndc)3Cl2]n","","","- C18 H9 Cl O6 Pb2 -","- C18 H9 Cl O6 Pb2 -","- C72 H36 Cl4 O24 Pb8 -","4","1","","Lu, Jian; Xin, Xue-Huan; Lin, Yang-Jie; Wang, Shuai-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Efficient X-ray scintillating lead(ii)-based MOFs derived from rigid luminescent naphthalene motifs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1722","1731","10.1039/c8dt04587a","","x-ray","0.71073","MoKα","","0.0396","0.032","","","0.0671","0.0691","","","","","","1.066","","","","has coordinates","223993","2020-10-21","18:00:00",""
"7048616","8.2143","0.0007","11.8601","0.0011","14.6928","0.0018","102.099","0.018","93.567","0.014","109.763","0.012","1303.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Pb2(2,6-ndc)2H2O]n, nDMF","","","- C27 H21 N O10 Pb2 -","- C27 H21 N O10 Pb2 -","- C54 H42 N2 O20 Pb4 -","2","1","","Lu, Jian; Xin, Xue-Huan; Lin, Yang-Jie; Wang, Shuai-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Efficient X-ray scintillating lead(ii)-based MOFs derived from rigid luminescent naphthalene motifs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1722","1731","10.1039/c8dt04587a","","","0.71073","MoKα","","0.0357","0.0273","","","0.0567","0.0572","","","","","","0.857","","","","has coordinates,has disorder","223993","2020-10-21","18:00:00",""
"7048617","6.999","0.0003","14.0842","0.0006","15.1934","0.0005","90","","90","","90","","1497.69","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Pb(1,4-ndc)DMF]n","","","- C15 H13 N O5 Pb -","- C15 H13 N O5 Pb -","- C60 H52 N4 O20 Pb4 -","4","1","","Lu, Jian; Xin, Xue-Huan; Lin, Yang-Jie; Wang, Shuai-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Efficient X-ray scintillating lead(ii)-based MOFs derived from rigid luminescent naphthalene motifs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1722","1731","10.1039/c8dt04587a","","x-ray","0.71073","MoKα","","0.0304","0.0257","","","0.0444","0.0454","","","","","","0.99","","","","has coordinates","223993","2020-10-21","18:00:00",""
"7048618","7.036","0.002","14.584","0.005","15.051","0.005","90","","90","","90","","1544.4","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Pb(1,4-ndc)DMA]n","","","- C16 H15 N O5 Pb -","- C16 H15 N O5 Pb -","- C64 H60 N4 O20 Pb4 -","4","1","","Lu, Jian; Xin, Xue-Huan; Lin, Yang-Jie; Wang, Shuai-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Efficient X-ray scintillating lead(ii)-based MOFs derived from rigid luminescent naphthalene motifs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1722","1731","10.1039/c8dt04587a","","","0.71073","MoKα","","0.026","0.0239","","","0.0501","0.0504","","","","","","0.917","","","","has coordinates,has disorder","223993","2020-10-21","18:00:00",""
"7048619","10.542","0.002","8.4713","0.0017","10.792","0.002","90","","106.73","0.03","90","","923","0.3","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N6 O8 -","- C4 H2 N6 O8 -","- C16 H8 N24 O32 -","4","1","","Zhang, Yiying; Li, Yanan; Hu, Jianjian; Ge, Zhongxue; Sun, Chenghui; Pang, Siping","Energetic C-trinitromethyl-substituted pyrazoles: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1524","1529","10.1039/c8dt04712j","","","0.71073","MoKα","","0.0662","0.059","","","0.1291","0.1334","","","","","","1.173","","","","has coordinates,has disorder","224081","2020-10-21","18:00:00",""
"7048620","10.104","0.002","8.3288","0.0017","12.031","0.002","90","","110.8","0.03","90","","946.5","0.4","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N6 O8 -","- C4 H2 N6 O8 -","- C16 H8 N24 O32 -","4","1","","Zhang, Yiying; Li, Yanan; Hu, Jianjian; Ge, Zhongxue; Sun, Chenghui; Pang, Siping","Energetic C-trinitromethyl-substituted pyrazoles: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1524","1529","10.1039/c8dt04712j","","","0.71073","MoKα","","0.0493","0.0447","","","0.1049","0.1171","","","","","","1.186","","","","has coordinates,has disorder","224081","2020-10-21","18:00:00",""
"7048621","12.4355","0.0005","15.6728","0.0008","17.6863","0.0009","76.352","0.004","71.082","0.004","89.701","0.004","3159.2","0.3","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 Co2 Cu3 Mo10 N9 O47 -","- C21 H26 Co2 Cu3 Mo10 N9 O47 -","- C42 H52 Co4 Cu6 Mo20 N18 O94 -","2","1","","Li, Feng-Cai; Li, Xi-Li; Tan, Li-Kun; Wang, Jin-Tang; Yao, Wei-Zhong","Evans-Showell-type polyoxometalate-based metal-organic complexes with novel 3D structures constructed from flexible bis-pyrazine-bis-amide ligands and copper metals: syntheses, structures, and fluorescence and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2160","2169","10.1039/c8dt04698k","","","0.71073","MoKα","","0.0711","0.0498","","","0.1183","0.1329","","","","","","1.017","","","","has coordinates","224159","2020-10-21","18:00:00",""
"7048622","23.3279","0.0008","12.4706","0.0005","22.1391","0.0012","90","","96.52","0.004","90","","6398.9","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Co2 Cu2 Mo10 N6 O44 -","- C16 H26 Co2 Cu2 Mo10 N6 O44 -","- C64 H104 Co8 Cu8 Mo40 N24 O176 -","4","0.5","","Li, Feng-Cai; Li, Xi-Li; Tan, Li-Kun; Wang, Jin-Tang; Yao, Wei-Zhong","Evans-Showell-type polyoxometalate-based metal-organic complexes with novel 3D structures constructed from flexible bis-pyrazine-bis-amide ligands and copper metals: syntheses, structures, and fluorescence and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2160","2169","10.1039/c8dt04698k","","","0.71073","MoKα","","0.0639","0.0505","","","0.1559","0.1697","","","","","","1.074","","","","has coordinates","224159","2020-10-21","18:00:00",""
"7048623","12.545","0.003","15.163","0.004","18.579","0.004","90","","115.029","0.014","90","","3202.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Co N3 O10 -","- C37 H25 Co N3 O10 -","- C148 H100 Co4 N12 O40 -","4","1","","Zhang, Chuan-Lei; Liu, Zi-Teng; Xu, Heng; Zheng, He-Gen; Ma, Jing; Zhao, Jing","An excellent example illustrating the fluorescence sensing property of cobalt-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2285","2289","10.1039/c9dt00005d","","","0.71073","MoKα","","0.0927","0.0574","","","0.1395","0.1521","","","","","","1.004","","","","has coordinates","224314","2020-10-21","18:00:00",""
"7048624","13.097","0.0006","6.6265","0.0003","6.8836","0.0003","90","","90","","90","","597.41","0.05","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C3 H K2 N3 O3 -","- C3 H K2 N3 O3 -","- C12 H4 K8 N12 O12 -","4","0.25","","Wang, Naizheng; Liang, Fei; Yang, Yi; Zhang, Shengzi; Lin, Zheshuai","A new ultraviolet transparent hydra-cyanurate K<sub>2</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>H) with strong optical anisotropy from delocalized π-bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2271","2274","10.1039/c8dt05018j","","","0.71073","MoKα","","0.0266","0.0254","","","0.0649","0.0659","","","","","","1.214","","","","has coordinates","224305","2020-10-21","18:00:00",""
"7048625","9.1264","0.0005","15.3834","0.0008","11.2882","0.0005","90","","111.447","0.005","90","","1475.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl N3 O -","- C14 H18 Cl N3 O -","- C56 H72 Cl4 N12 O4 -","4","1","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0592","0.0468","","","0.1235","0.1382","","","","","","0.996","","","","has coordinates","213087","2020-10-21","18:00:00",""
"7048626","9.2296","0.0005","11.5622","0.0006","16.0686","0.0007","98.137","0.004","93.568","0.004","99.629","0.004","1667.08","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H47 N3 O3 Ti -","- C35 H47 N3 O3 Ti -","- C70 H94 N6 O6 Ti2 -","2","1","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0492","0.0433","","","0.1161","0.1205","","","","","","1.092","","","","has coordinates","213087","2020-10-21","18:00:00",""
"7048627","32.9866","0.001","10.4591","0.0002","34.4041","0.001","90","","122.401","0.004","90","","10021.9","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H83 N9 Ti -","- C48 H83 N9 Ti -","- C384 H664 N72 Ti8 -","8","1","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","0.71073","MoKα","","0.0564","0.0494","","","0.1361","0.1429","","","","","","1.036","","","","has coordinates,has disorder","213087","2020-10-21","18:00:00",""
"7048628","11.9485","0.0005","12.6031","0.0006","21.2454","0.0008","92.364","0.004","97.25","0.003","118.055","0.005","2782.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 N10 S2 Ti -","- C60 H70 N10 S2 Ti -","- C120 H140 N20 S4 Ti2 -","2","1","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0526","0.046","","","0.1228","0.1294","","","","","","1.033","","","","has coordinates","213087","2020-10-21","18:00:00",""
"7048629","16.6882","0.0004","16.6882","0.0004","10.0005","0.0004","90","","90","","90","","2785.1","0.15","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C112 H152 N24 O8 -","8","","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0675","0.0487","","","0.1246","0.1427","","","","","","0.946","","","","has coordinates","213087","2020-10-21","18:00:00",""
"7048630","20.4747","0.0004","20.9986","0.0003","20.8892","0.0003","90","","90","","90","","8981.1","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C46 H60 N8 Ti -","- C46 H60 N8 Ti -","- C368 H480 N64 Ti8 -","8","1","","Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta","Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator","Dalton Transactions","2019","","","","","10.1039/C8DT04630A","","","1.54184","CuKα","","0.0805","0.056","","","0.1519","0.1679","","","","","","1.094","","","","has coordinates","213087","2020-10-21","18:00:00",""
"7048631","19.1355","0.0003","35.4097","0.0005","9.05694","0.00014","90","","90.2575","0.0014","90","","6136.76","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 Br N2 O3 P Re -","- C36 H25 Br N2 O3 P Re -","- C288 H200 Br8 N16 O24 P8 Re8 -","8","2","","Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti","Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2467","2478","10.1039/c8dt04540b","","","0.71075","MoKα","","0.0582","0.0393","","","0.068","0.0737","","","","","","1.042","","","","has coordinates","224306","2020-10-21","18:00:00",""
"7048632","17.6737","0.0004","8.37774","0.00019","19.8176","0.0004","90","","95.527","0.002","90","","2920.66","0.11","100","2","100","2","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C36 H25 F N2 O3 P Re -","- C36 H25 F N2 O3 P Re -","- C144 H100 F4 N8 O12 P4 Re4 -","4","1","","Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti","Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2467","2478","10.1039/c8dt04540b","","","0.71075","MoKα","","0.0359","0.0294","","","0.0602","0.0638","","","","","","1.023","","","","has coordinates,has disorder","224306","2020-10-21","18:00:00",""
"7048633","23.5467","0.0004","12.5757","0.0002","12.8889","0.0002","90","","90.8795","0.0017","90","","3816.16","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N3 O3 P Re S -","- C46 H37 N3 O3 P Re S -","- C184 H148 N12 O12 P4 Re4 S4 -","4","1","","Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti","Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2467","2478","10.1039/c8dt04540b","","","0.71075","MoKα","","0.0461","0.0353","","","0.0658","0.0694","","","","","","1.054","","","","has coordinates","224306","2020-10-21","18:00:00",""
"7048634","17.5172","0.0003","8.355","0.00014","19.9929","0.0003","90","","94.9322","0.0016","90","","2915.25","0.08","100","2","100","2","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C36 H25 F N2 O3 P Re -","- C36 H25 F N2 O3 P Re -","- C144 H100 F4 N8 O12 P4 Re4 -","4","1","","Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti","Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2467","2478","10.1039/c8dt04540b","","","0.71075","MoKα","","0.0302","0.0279","","","0.0586","0.06","","","","","","1.018","","","","has coordinates","224306","2020-10-21","18:00:00",""
"7048635","13.6225","0.00016","16.5488","0.00019","13.6427","0.00015","90","","100.611","0.0011","90","","3022.96","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 F5 N2 O3 P Re -","- C36 H21 F5 N2 O3 P Re -","- C144 H84 F20 N8 O12 P4 Re4 -","4","1","","Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti","Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2467","2478","10.1039/c8dt04540b","","","0.71075","MoKα","","0.0176","0.0167","","","0.0385","0.0389","","","","","","1.054","","","","has coordinates","224306","2020-10-21","18:00:00",""
"7048636","17.9756","0.0004","12.9438","0.0002","19.8103","0.0004","90","","98.62","0.002","90","","4557.25","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 N3 O3 P Re -","- C55 H49 N3 O3 P Re -","- C220 H196 N12 O12 P4 Re4 -","4","1","","Manav, Neha; Kesavan, Praseetha E.; Ishida, Masatoshi; Mori, Shigeki; Yasutake, Yuhsuke; Fukatsu, Susumu; Furuta, Hiroyuki; Gupta, Iti","Phosphorescent rhenium-dipyrrinates: efficient photosensitizers for singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2467","2478","10.1039/c8dt04540b","","","0.71075","MoKα","","0.074","0.0568","","","0.1073","0.1123","","","","","","1.189","","","","has coordinates","224306","2020-10-21","18:00:00",""
"7048637","7.2685","0.0005","14.6954","0.0011","19.3575","0.0017","78.962","0.006","79.28","0.005","75.788","0.005","1946.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 Eu2 N2 O16 -","- C38 H22 Eu2 N2 O16 -","- C76 H44 Eu4 N4 O32 -","2","1","","Zhan, Zhiying; Liang, Xiaoyu; Zhang, Xiaolei; Jia, Yuejiao; Hu, Ming","A water-stable europium-MOF as a multifunctional luminescent sensor for some trivalent metal ions (Fe<sup>3+</sup>, Cr<sup>3+</sup>, Al<sup>3+</sup>), PO<sub>4</sub><sup>3-</sup> ions, and nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1786","1794","10.1039/c8dt04653k","","","0.71073","MoKα","","0.0208","0.0184","","","0.0542","0.0557","","","","","","0.805","","","","has coordinates,has disorder","224010","2020-10-21","18:00:00",""
"7048638","35.7794","0.0016","12.6929","0.0005","12.7024","0.0005","90","","90","","90","","5768.7","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C37 H34 N10 O14 Zn2 -","- C37 H34 N10 O14 Zn2 -","- C148 H136 N40 O56 Zn8 -","4","0.5","","Lee, Li-Wei; Kao, Ya-Chuan; Chung, Mei-Ying; Chang, Bor-Chen; Lee, Gene-Hsiang; Peng, Shie-Ming; Wang, Chih-Min; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Rare metal-ion metathesis of a tetrahedral Zn(ii) core of a noncentrosymmetric (3,4)-connected 3D MOF.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1950","1954","10.1039/c8dt04472d","","","0.71073","MoKα","","0.0791","0.0674","","","0.1801","0.1886","","","","","","1.105","","","","has coordinates,has disorder","224156","2020-10-21","18:00:00",""
"7048639","9.5093","0.0002","27.8801","0.0005","24.3205","0.0005","90","","97.661","0.002","90","","6390.3","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H105 N3 P3 -","- C69 H105 N3 P3 -","- C276 H420 N12 P12 -","4","1","","Chen, Xiaodan; Hinz, Alexander; Harmer, Jeffrey R.; Li, Zhongshu","Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2549","2553","10.1039/c8dt04842h","","x-ray","1.54184","CuKα","","0.1257","0.1137","","","0.314","0.3215","","","","","","1.106","","","","has coordinates","223972","2020-10-21","18:00:00",""
"7048640","30.0735","0.0015","10.7348","0.0003","23.2145","0.0012","90","","130.949","0.009","90","","5660.5","0.9","150","0.1","150","0.1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H71 Au2 Cl2 F N2 P2 -","- C52 H71 Au2 Cl2 F N2 P2 -","- C208 H284 Au8 Cl8 F4 N8 P8 -","4","1","","Chen, Xiaodan; Hinz, Alexander; Harmer, Jeffrey R.; Li, Zhongshu","Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2549","2553","10.1039/c8dt04842h","","x-ray","1.54184","CuKα","","0.0592","0.0546","","","0.1378","0.1445","","","","","","1.003","","","","has coordinates,has disorder","223972","2020-10-21","18:00:00",""
"7048641","29.4871","0.0013","10.2236","0.0002","22.3739","0.001","90","","131.533","0.007","90","","5049.1","0.6","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H70 D12 N2 O2 P2 -","- C58 H70 D12 N2 O2 P2 -","- C232 H280 D48 N8 O8 P8 -","4","0.5","","Chen, Xiaodan; Hinz, Alexander; Harmer, Jeffrey R.; Li, Zhongshu","Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2549","2553","10.1039/c8dt04842h","","x-ray","1.54184","CuKα","","0.0412","0.0378","","","0.0995","0.1027","","","","","","1.052","","","","has coordinates","223972","2020-10-21","18:00:00",""
"7048642","17.788","0.0008","9.4205","0.0005","20.7058","0.0009","90","","99.996","0.002","90","","3417","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 N2 O2 Sc Si2 -","- C31 H51 N2 O2 Sc Si2 -","- C124 H204 N8 O8 Sc4 Si8 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Li, Yang; Jiang, Kang; He, Gaohong","Anilido-oxazoline-ligated rare-earth metal complexes: synthesis, characterization and highly cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3583","3592","10.1039/c8dt04647f","","","0.71073","MoKα","","0.0817","0.072","","","0.1874","0.1976","","","","","","1.058","","","","has coordinates","224548","2020-10-21","18:00:00",""
"7048643","17.8753","0.0005","9.547","0.0002","20.6698","0.0005","90","","99.922","0.001","90","","3474.66","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 N2 O2 Si2 Y -","- C31 H51 N2 O2 Si2 Y -","- C124 H204 N8 O8 Si8 Y4 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Li, Yang; Jiang, Kang; He, Gaohong","Anilido-oxazoline-ligated rare-earth metal complexes: synthesis, characterization and highly cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3583","3592","10.1039/c8dt04647f","","","0.71073","MoKα","","0.0874","0.064","","","0.1642","0.1803","","","","","","1.035","","","","has coordinates","224548","2020-10-21","18:00:00",""
"7048644","10.4347","0.0008","19.9397","0.0015","18.8679","0.0014","90","","95.374","0.003","90","","3908.5","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H59 N2 O2 Si2 Y -","- C35 H59 N2 O2 Si2 Y -","- C140 H236 N8 O8 Si8 Y4 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Li, Yang; Jiang, Kang; He, Gaohong","Anilido-oxazoline-ligated rare-earth metal complexes: synthesis, characterization and highly cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3583","3592","10.1039/c8dt04647f","","","0.71073","MoKα","","0.1","0.078","","","0.2004","0.2201","","","","","","1.043","","","","has coordinates","224548","2020-10-21","18:00:00",""
"7048645","10.3732","0.0005","16.9019","0.0007","19.2689","0.0008","90","","92.44","0.002","90","","3375.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 N2 O Sc Si2 -","- C31 H51 N2 O Sc Si2 -","- C124 H204 N8 O4 Sc4 Si8 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Li, Yang; Jiang, Kang; He, Gaohong","Anilido-oxazoline-ligated rare-earth metal complexes: synthesis, characterization and highly cis-1,4-selective polymerization of isoprene.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3583","3592","10.1039/c8dt04647f","","","0.71073","MoKα","","0.045","0.0346","","","0.0821","0.0864","","","","","","1.029","","","","has coordinates","224548","2020-10-21","18:00:00",""
"7048646","18.465","0.0019","5.4113","0.0005","17.7373","0.0018","90","","116.474","0.003","90","","1586.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N2 P -","- C19 H19 N2 P -","- C76 H76 N8 P4 -","4","1","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","0.71073","MoKα","","0.076","0.0481","","","0.1133","0.1256","","","","","","1.028","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048647","7.578","0.0008","12.4245","0.0014","16.9432","0.0019","77.923","0.004","83.039","0.003","81.784","0.003","1537","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cl2 Fe N2 P2 -","- C34 H34 Cl2 Fe N2 P2 -","- C68 H68 Cl4 Fe2 N4 P4 -","2","1","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","0.71073","MoKα","","0.1025","0.0462","","","0.0709","0.085","","","","","","0.998","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048648","10.1359","0.0008","11.6672","0.0011","18.8632","0.0016","90","","96.513","0.002","90","","2216.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl2 Co N2 P -","- C23 H21 Cl2 Co N2 P -","- C92 H84 Cl8 Co4 N8 P4 -","4","1","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","0.71073","MoKα","","0.1052","0.0376","","","0.0748","0.0938","","","","","","0.981","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048649","8.1738","0.0005","10.2012","0.0005","17.1703","0.0011","103.832","0.003","97.26","0.003","94.369","0.006","1370.6","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Cl4 Co2 N4 P2 -","- C52 H78 Cl4 Co2 N4 P2 -","- C52 H78 Cl4 Co2 N4 P2 -","1","0.5","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","0.71073","MoKα","","0.077","0.0503","","","0.1196","0.1299","","","","","","1.142","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048650","9.4667","0.0003","14.2123","0.0005","14.8138","0.0006","90","","103.426","0.002","90","","1938.63","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Cl2 Fe N2 P -","- C17 H25 Cl2 Fe N2 P -","- C68 H100 Cl8 Fe4 N8 P4 -","4","1","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","1.54178","CuKα","","0.0311","0.0257","","","0.0612","0.0642","","","","","","1.02","","","","has coordinates,has disorder","224149","2020-10-21","18:00:00",""
"7048651","18.9295","0.0018","11.58","0.001","12.5645","0.0011","90","","97.447","0.003","90","","2731","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Cl4 Co N2 P -","- C24 H35 Cl4 Co N2 P -","- C96 H140 Cl16 Co4 N8 P4 -","4","1","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","0.71073","MoKα","","0.1229","0.0668","","","0.1524","0.1757","","","","","","1.087","","","","has coordinates,has disorder","224149","2020-10-21","18:00:00",""
"7048652","10.4998","0.0003","9.7331","0.0003","24.6015","0.0006","90","","96.835","0.002","90","","2496.3","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Cl8 Fe2 N4 P2 -","- C48 H46 Cl8 Fe2 N4 P2 -","- C96 H92 Cl16 Fe4 N8 P4 -","2","0.5","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","1.54178","CuKα","","0.0453","0.036","","","0.0897","0.0938","","","","","","1.051","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048653","7.8587","0.0004","19.4737","0.0009","30.7593","0.0014","90","","90","","90","","4707.3","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H35 Cl2 Co N2 P -","- C19 H29 Cl2 Co N2 P -","- C152 H232 Cl16 Co8 N16 P8 -","8","2","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","1.54178","CuKα","","0.045","0.0362","","","0.0798","0.0851","","","","","","1.051","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048654","6.4865","0.0017","33.878","0.009","24.134","0.007","90","","94.039","0.006","90","","5290","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 F3 N4 O Pt -","- C32 H21 F3 N4 O Pt -","- C256 H168 F24 N32 O8 Pt8 -","8","2","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zheng, You-Xuan; Zhao, Yue","Two platinum(ii) complexes with a 4-phenyl-4H-1,2,4-triazole derivative as an ancillary ligand for efficient green OLEDs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1892","1899","10.1039/c8dt04750b","","","0.71073","MoKα","","0.1563","0.0834","","","0.1502","0.1775","","","","","","1.137","","","","has coordinates,has disorder","224001","2020-10-21","18:00:00",""
"7048655","7.4368","0.0003","13.2521","0.0004","17.6939","0.0006","90","","90","","90","","1743.79","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Au Cl N2 -","- C18 H20 Au Cl N2 -","- C72 H80 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0436","0.0382","","","0.0793","0.0813","","","","","","1.06","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048656","8.1533","0.0002","17.9539","0.0003","13.2803","0.0003","90","","97.812","0.001","90","","1925.98","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Au Cl N2 -","- C20 H24 Au Cl N2 -","- C80 H96 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0342","0.0284","","","0.0655","0.068","","","","","","1.06","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048657","16.5805","0.0005","14.6038","0.0006","8.1861","0.0004","90","","90","","90","","1982.17","0.14","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H26 Au Cl N2 -","- C21 H26 Au Cl N2 -","- C84 H104 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0397","0.0336","","","0.0802","0.0829","","","","","","1.055","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048658","9.6232","0.0006","7.6641","0.0007","9.7659","0.0007","90","","114.728","0.004","90","","654.22","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H20 Au Br0.31 Cl0.69 N2 -","- C10 H20 Au Br0.311 Cl0.689 N2 -","- C20 H40 Au2 Br0.622 Cl1.378 N4 -","2","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.048","0.0421","","","0.094","0.0979","","","","","","1.07","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048659","12.3002","0.0003","9.386","0.0002","15.472","0.0002","90","","101.338","0.001","90","","1751.38","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Au Cl N2 -","- C15 H30 Au Cl N2 -","- C60 H120 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0305","0.0254","","","0.0537","0.0557","","","","","","1.063","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048660","9.5596","0.0002","18.9069","0.0005","12.5673","0.0002","90","","90.647","0.001","90","","2271.3","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Au Cl N2 -","- C25 H34 Au Cl N2 -","- C100 H136 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0259","0.0231","","","0.0532","0.0544","","","","","","1.052","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048661","9.3774","0.0002","8.3117","0.0002","17.1446","0.0004","90","","91.032","0.002","90","","1336.07","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Au Cl N2 -","- C11 H22 Au Cl N2 -","- C44 H88 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0302","0.0279","","","0.0705","0.0715","","","","","","1.109","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048662","14.6513","0.0013","7.8132","0.0008","16.182","0.0013","90","","97.495","0.006","90","","1836.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 Au Cl N2 -","- C19 H22 Au Cl N2 -","- C76 H88 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.1304","0.0766","","","0.1104","0.1225","","","","","","1.156","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048663","10.6937","0.0004","13.6965","0.0005","14.728","0.0005","90","","90","","90","","2157.16","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28.63 Au0.37 B0.63 Cl0.37 F2.51 N2 -","- C23 H28.629 Au0.371 B0.629 Cl0.371 F2.516 N2 -","- C92 H114.516 Au1.484 B2.516 Cl1.484 F10.064 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0857","0.0672","","","0.1431","0.1592","","","","","","1.099","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048664","16.1241","0.0003","16.1241","0.0003","11.4641","0.0002","90","","90","","120","","2581.2","0.08","150","2","150","2","","","","","","","","5","P 63","P 6c","173","","","","- C15 H28 Au Cl N2 -","- C15 H28 Au Cl N2 -","- C90 H168 Au6 Cl6 N12 -","6","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0488","0.0411","","","0.0775","0.0808","","","","","","1.051","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048665","6.7532","0.0003","8.8718","0.0003","21.8273","0.0009","90","","90","","90","","1307.74","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0319","0.0293","","","0.0643","0.0654","","","","","","1.095","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048666","20.5559","0.0005","13.8353","0.0004","14.04","0.0004","90","","90","","90","","3992.93","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Au Cl N3 -","- C21 H25 Au Cl N3 -","- C168 H200 Au8 Cl8 N24 -","8","2","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0384","0.0285","","","0.0456","0.0498","","","","","","1.017","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048667","16.7838","0.0002","13.048","0.0001","20.4063","0.0002","90","","91.259","0.001","90","","4467.8","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H58 Au B F4 N8 O -","- C45 H58 Au B F4 N8 O -","- C180 H232 Au4 B4 F16 N32 O4 -","4","2","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","1.54184","CuKα","","0.0391","0.0371","","","0.0984","0.1009","","","","","","1.042","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048668","13.3262","0.0002","14.2393","0.0002","23.9673","0.0004","73.606","0.001","88.232","0.001","89.787","0.001","4360.89","0.12","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C191 H190 Au2 F12 N8 O P10 -","- C191 H190 Au2 F12 N8 O P10 -","- C191 H190 Au2 F12 N8 O P10 -","1","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0892","0.055","","","0.0869","0.1022","","","","","","1.006","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048669","7.9564","0.0002","19.0099","0.0004","13.4208","0.0003","90","","97.576","0.002","90","","2012.18","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H56 Au2 I2 N4 -","- C38 H56 Au2 I2 N4 -","- C76 H112 Au4 I4 N8 -","2","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0369","0.0324","","","0.0683","0.0709","","","","","","1.045","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048670","16.104","0.0016","11.3324","0.0012","17.9653","0.0019","90","","94.292","0.002","90","","3269.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 Dy4 N8 O22 -","- C62 H60 Dy4 N8 O22 -","- C124 H120 Dy8 N16 O44 -","2","0.5","","Zhang, Kun; Li, Gao-Peng; Montigaud, Vincent; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui; Wang, Yao-Yu","Tetranuclear dysprosium single-molecule magnets: tunable magnetic interactions and magnetization dynamics through modifying coordination number.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2135","2141","10.1039/c8dt05004j","","","0.71073","MoKα","","0.059","0.033","","","0.0652","0.0748","","","","","","0.968","","","","has coordinates","224154","2020-10-21","18:00:00",""
"7048671","12.9312","0.0006","29.6458","0.0014","20.2652","0.001","90","","105.391","0.005","90","","7490.2","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cu3 Mo8 N9 O46 P V6 -","- C45 H33 Cu3 Mo8 N9 O46 P V6 -","- C180 H132 Cu12 Mo32 N36 O184 P4 V24 -","4","1","","Zhou, Wanli; Zheng, Yanping; Yuan, Gang; Peng, Jun","Three polyoxometalates-based organic-inorganic hybrids decorated with Cu-terpyridine complexes exhibiting dual functional electro-catalytic behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2598","2605","10.1039/c8dt04945a","","","0.71073","MoKα","","0.1759","0.1044","","","0.2683","0.3235","","","","","","1.03","","","","has coordinates","223954","2020-10-21","18:00:00",""
"7048672","16.5866","0.0004","25.4564","0.0005","22.0082","0.0005","90","","102.606","0.002","90","","9068.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H49 Cu3 N9 O70 P2 W18 -","- C45 H33 Cu3 N9 O70 P2 W18 -","- C180 H132 Cu12 N36 O280 P8 W72 -","4","1","","Zhou, Wanli; Zheng, Yanping; Yuan, Gang; Peng, Jun","Three polyoxometalates-based organic-inorganic hybrids decorated with Cu-terpyridine complexes exhibiting dual functional electro-catalytic behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2598","2605","10.1039/c8dt04945a","","","0.71073","MoKα","","0.0616","0.0394","","","0.0801","0.0884","","","","","","1.025","","","","has coordinates","223954","2020-10-21","18:00:00",""
"7048673","13.479","0.005","21.683","0.005","24.772","0.005","110.131","0.005","103.113","0.005","98.596","0.005","6412","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H59 Cu5 N15 O82 P2 W24 -","- C75 H55 Cu5 N15 O82 P W24 -","- C150 H110 Cu10 N30 O164 P2 W48 -","2","1","","Zhou, Wanli; Zheng, Yanping; Yuan, Gang; Peng, Jun","Three polyoxometalates-based organic-inorganic hybrids decorated with Cu-terpyridine complexes exhibiting dual functional electro-catalytic behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2598","2605","10.1039/c8dt04945a","","","0.71069","MoKα","","0.0842","0.049","","","0.0781","0.0913","","","","","","0.995","","","","has coordinates","223954","2020-10-21","18:00:00",""
"7048674","6.7135","0.0002","7.351","0.0002","13.5057","0.0004","76.5719","0.0011","79.4401","0.0011","77.8505","0.0011","627.42","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F5 N3 O2 -","- C12 H8 F5 N3 O2 -","- C24 H16 F10 N6 O4 -","2","1","","Chang, Chao-Wan; Lee, Gene-Hsiang","Facile synthesis of 1,5-disubstituted 1,2,3-triazoles by the regiospecific alkylation of a ruthenium triazolato complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2028","2037","10.1039/c8dt04189j","","","0.71073","MoKα","","0.0406","0.0347","","","0.0866","0.0921","","","","","","1.057","","","","has coordinates","224153","2020-10-21","18:00:00",""
"7048675","13.4954","0.0009","28.3436","0.0019","10.7073","0.0007","90","","102.186","0.0009","90","","4003.3","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Cl2 F3 N3 O4 P2 Ru -","- C39 H38 Cl2 F3 N3 O4 P2 Ru -","- C156 H152 Cl8 F12 N12 O16 P8 Ru4 -","4","1","","Chang, Chao-Wan; Lee, Gene-Hsiang","Facile synthesis of 1,5-disubstituted 1,2,3-triazoles by the regiospecific alkylation of a ruthenium triazolato complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2028","2037","10.1039/c8dt04189j","","","0.71073","MoKα","","0.0542","0.0485","","","0.1279","0.1321","","","","","","1.099","","","","has coordinates,has disorder","224153","2020-10-21","18:00:00",""
"7048676","12.1244","0.0004","12.4294","0.0005","15.4419","0.0006","86.9979","0.0011","77.3854","0.0012","86.1615","0.0012","2264.11","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H78 F12 N6 O4 P6 Ru2 -","- C80 H78 F12 N6 O4 P6 Ru2 -","- C80 H78 F12 N6 O4 P6 Ru2 -","1","0.5","","Chang, Chao-Wan; Lee, Gene-Hsiang","Facile synthesis of 1,5-disubstituted 1,2,3-triazoles by the regiospecific alkylation of a ruthenium triazolato complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2028","2037","10.1039/c8dt04189j","","","0.71073","MoKα","","0.084","0.0667","","","0.1634","0.1757","","","","","","1.08","","","","has coordinates,has disorder","224153","2020-10-21","18:00:00",""
"7048677","11.21465","0.00012","21.5494","0.0002","17.6658","0.0002","90","","104.998","0.0012","90","","4123.85","0.08","99.99","0.1","99.99","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 B10 Cl2 N2 O Ru S2 -","- C34 H51 B10 Cl2 N2 O Ru S2 -","- C136 H204 B40 Cl8 N8 O4 Ru4 S8 -","4","1","","Wang, Tao; Wu, Botao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Dang, Yanfeng; Wang, Jianhui","Synthesis, catalysis, and DFT study of a ruthenium carbene complex bearing a 1,2-dicarbadodecaborane (12)-1,2-dithiolate ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2646","2656","10.1039/c8dt04290j","","x-ray","1.54184","CuKα","","0.0408","0.0367","","","0.0929","0.0977","","","","","","1.043","","","","has coordinates","223960","2020-10-21","18:00:00",""
"7048678","10.255","0.002","10.607","0.003","19.408","0.006","81.416","0.018","78.469","0.016","71.452","0.012","1952.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 As Cl3 N2 P Pt -","- C39 H57 As Cl3 N2 P Pt -","- C78 H114 As2 Cl6 N4 P2 Pt2 -","2","1","","Muessig, Jonas H.; Stennett, Tom E.; Schmidt, Uwe; Dewhurst, Rian D.; Mailänder, Lisa; Braunschweig, Holger","Oxidative addition of arsenic halides to platinum(0).","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3547","3550","10.1039/c8dt04995e","","","0.71073","MoKα","","0.0273","0.0228","","","0.0503","0.0519","","","","","","1.05","","","","has coordinates","224537","2020-10-21","18:00:00",""
"7048679","10.0229","0.0004","13.4142","0.0005","15.1155","0.0006","89.34","0.001","89.11","0.001","74.418","0.001","1957.28","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 As Cl3 P2 Pt -","- C36 H66 As Cl3 P2 Pt -","- C72 H132 As2 Cl6 P4 Pt2 -","2","1","","Muessig, Jonas H.; Stennett, Tom E.; Schmidt, Uwe; Dewhurst, Rian D.; Mailänder, Lisa; Braunschweig, Holger","Oxidative addition of arsenic halides to platinum(0).","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3547","3550","10.1039/c8dt04995e","","","0.71073","MoKα","","0.0171","0.0155","","","0.037","0.0378","","","","","","0.931","","","","has coordinates","224537","2020-10-21","18:00:00",""
"7048680","15.239","0.006","26.032","0.008","21.255","0.007","90","","101.68","0.02","90","","8257","5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H144 As2 Br2 P4 Pt3 -","- C77 H144 As2 Br2 P4 Pt3 -","- C308 H576 As8 Br8 P16 Pt12 -","4","1","","Muessig, Jonas H.; Stennett, Tom E.; Schmidt, Uwe; Dewhurst, Rian D.; Mailänder, Lisa; Braunschweig, Holger","Oxidative addition of arsenic halides to platinum(0).","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3547","3550","10.1039/c8dt04995e","","","0.71073","MoKα","","0.0495","0.0284","","","0.0559","0.0631","","","","","","1.03","","","","has coordinates,has disorder","224537","2020-10-21","18:00:00",""
"7048681","8.25","0.002","8.25","0.002","18.655","0.004","90","","90","","90","","1269.7","0.5","296","2","296","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C10 H10 Fe O4 P2 Zn -","- C10 H10 Fe O4 P2 Zn -","- C40 H40 Fe4 O16 P8 Zn4 -","4","0.5","","Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","Zn and Co redox active coordination polymers as efficient electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3601","3609","10.1039/c8dt04618b","","x-ray","0.71073","MoKα","","0.046","0.032","","","0.0723","0.0752","","","","","","0.979","","","","has coordinates","224542","2020-10-21","18:00:00",""
"7048682","8.2537","0.0012","8.2537","0.0012","18.659","0.004","90","","90","","90","","1271.1","0.4","150","2","150","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C10 H10 Fe O4 P2 Zn -","- C10 H10 Fe O4 P2 Zn -","- C40 H40 Fe4 O16 P8 Zn4 -","4","0.5","","Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","Zn and Co redox active coordination polymers as efficient electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3601","3609","10.1039/c8dt04618b","","x-ray","0.71073","MoKα","","0.0374","0.0302","","","0.05","0.051","","","","","","1.174","","","","has coordinates","224542","2020-10-21","18:00:00",""
"7048683","8.22","0.0012","8.22","0.0012","18.84","0.004","90","","90","","90","","1273","0.4","296","2","296","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C10 H10 Co Fe O4 P2 -","- C10 H10 Co Fe O4 P2 -","- C40 H40 Co4 Fe4 O16 P8 -","4","0.5","","Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","Zn and Co redox active coordination polymers as efficient electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3601","3609","10.1039/c8dt04618b","","x-ray","0.88561","synchrotron","","0.0816","0.0749","","","0.2034","0.2287","","","","","","1.149","","","","has coordinates","224542","2020-10-21","18:00:00",""
"7048684","13.364","0.0002","14.8268","0.0003","17.2128","0.0003","88.1","0.001","82.458","0.001","84.075","0.001","3362.4","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H84 Cd3 N6 O18 -","- C94 H84 Cd3 N6 O18 -","- C94 H84 Cd3 N6 O18 -","1","0.5","","Xu, Ning; Zhang, Qinghua; Zhang, Guoan","A carbazole-functionalized metal-organic framework for efficient detection of antibiotics, pesticides and nitroaromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2683","2691","10.1039/c8dt04558e","","","1.54178","CuKα","","0.046","0.0382","","","0.0983","0.1019","","","","","","0.96","","","","has coordinates","223970","2020-10-21","18:00:00",""
"7048685","26.9513","0.0009","17.2697","0.0006","11.1949","0.0003","90","","90","","90","","5210.6","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H35 I3 Mo N P2 -","- C19 H35 I3 Mo N P2 -","- C152 H280 I24 Mo8 N8 P16 -","8","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0843","0.072","","","0.1694","0.1763","","","","","","1","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048686","23.5322","0.0006","23.5322","0.0006","21.991","0.0006","90","","90","","90","","12177.8","0.6","173","","173","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H45 I3 Mo N P2 -","- C24 H45 I3 Mo N P2 -","- C384 H720 I48 Mo16 N16 P32 -","16","","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0876","0.0552","","","0.134","0.1502","","","","","","0.987","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048687","19.962","0.002","18.924","0.002","18.744","0.002","90","","114.643","0.008","90","","6435.9","1.2","181","","181","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H47 I Mo N2 P2 -","- C29 H27 I Mo N2 P2 -","- C232 H216 I8 Mo8 N16 P16 -","8","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.1882","0.1377","","","0.2181","0.2443","","","","","","1","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048688","10.8646","0.0007","11.4437","0.0007","13.9846","0.001","96.216","0.007","98.933","0.007","109.654","0.008","1593.3","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 I3 Mo N P2 -","- C31 H27 I3 Mo N P2 -","- C62 H54 I6 Mo2 N2 P4 -","2","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.1124","0.0699","","","0.1745","0.1928","","","","","","1.101","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048689","21.9017","0.001","15.3078","0.0008","13.875","0.0006","90","","120.601","0.009","90","","4004","0.5","173","","173","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H59 Fe I Mo N2 O P2 -","- C37 H53 Fe I Mo N2 O P2 -","- C148 H212 Fe4 I4 Mo4 N8 O4 P8 -","4","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0792","0.0725","","","0.1278","0.1313","","","","","","1.004","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048690","15.0489","0.0006","18.7575","0.0007","17.1035","0.0008","90","","90.845","0.006","90","","4827.4","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 I3 Mo N P2 Ru -","- C33 H51 I3 Mo N P2 Ru -","- C132 H204 I12 Mo4 N4 P8 Ru4 -","4","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.1581","0.0896","","","0.2227","0.2591","","","","","","1.009","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048691","23.7105","0.001","23.7105","0.001","22.0142","0.0005","90","","90","","90","","12376.1","0.8","173","","173","","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C24 H45 I3 Mo N O P2 -","- C24 H45 I3 Mo N O P2 -","- C384 H720 I48 Mo16 N16 O16 P32 -","16","","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0978","0.0692","","","0.1518","0.1652","","","","","","1.074","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048692","14.837","0.0005","18.7561","0.0005","17.0679","0.0005","90","","90.45","0.006","90","","4749.6","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Fe I3 Mo N P2 -","- C33 H51 Fe I3 Mo N P2 -","- C132 H204 Fe4 I12 Mo4 N4 P8 -","4","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0599","0.0486","","","0.1019","0.1062","","","","","","1.071","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048693","24.7398","0.0005","25.2842","0.0005","25.498","0.003","90","","118.7","0.005","90","","13990.2","1.8","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H71 I5 Mo2 N2 P3 -","- C21.75 H35.25 I2.25 Mo0.75 N0.75 P1.5 -","- C348 H564 I36 Mo12 N12 P24 -","16","2","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.067","0.0488","","","0.1026","0.1085","","","","","","1.026","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048694","13.4693","0.0002","14.5628","0.0002","16.6475","0.0002","90","","90","","90","","3265.42","0.08","200","","200","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B Ir N8 O P S2 -","- C29 H35 B Ir N8 O P S2 -","- C116 H140 B4 Ir4 N32 O4 P4 S8 -","4","1","","Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao","5-Mercaptotetrazolyl-derived metallaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2367","2376","10.1039/c8dt05036h","","","0.71073","MoKα","","0.0309","0.0263","","0.0571","0.0554","0.0571","","","","","","1.0078","","","","has coordinates","224303","2020-10-21","18:00:00",""
"7048695","14.0341","0.0004","14.0341","0.0004","34.1262","0.001","90","","90","","120","","5820.9","0.3","200","","200","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C34 H42 B N12 O P Ru S3 -","- C33.9966 H42 B N11.988 O0.9999 P Ru0.9999 S2.9997 -","- C203.98 H252 B6 N71.928 O5.9994 P6 Ru5.9994 S17.9982 -","6","0.333333","","Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao","5-Mercaptotetrazolyl-derived metallaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2367","2376","10.1039/c8dt05036h","","","0.71073","MoKα","","0.0718","0.0531","","0.1257","0.1188","0.1257","","","","","","1.0587","","","","has coordinates","224303","2020-10-21","18:00:00",""
"7048696","20.6419","0.0002","10.348","0.0001","24.609","0.0003","90","","112.109","0.0006","90","","4870.01","0.09","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 B N8 O1.5 P2 Ru S2 -","- C48 H51 B N8 O1.5 P2 Ru S2 -","- C192 H204 B4 N32 O6 P8 Ru4 S8 -","4","1","","Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao","5-Mercaptotetrazolyl-derived metallaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2367","2376","10.1039/c8dt05036h","","","0.71073","MoKα","","0.0806","0.0564","","0.1704","0.1572","0.1704","","","","","","0.9671","","","","has coordinates","224303","2020-10-21","18:00:00",""
"7048697","11.7902","0.0002","27.3841","0.0006","11.3666","0.0002","90","","90.675","0.001","90","","3669.61","0.12","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 Ca2 N8 Si4 -","- C52 H88 Ca2 N8 Si4 -","- C104 H176 Ca4 N16 Si8 -","2","0.5","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0718","0.0558","","","0.1374","0.1476","","","","","","1.08","","","","has coordinates,has disorder","224301","2020-10-21","18:00:00",""
"7048698","11.8846","0.0002","19.3809","0.0002","20.1264","0.0003","90","","95.693","0.001","90","","4612.93","0.11","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N6 Sr -","- C52 H60 N6 Sr -","- C208 H240 N24 Sr4 -","4","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0699","0.046","","","0.0777","0.0867","","","","","","1.123","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048699","11.9432","0.0002","19.2797","0.0003","20.027","0.0004","90","","95.972","0.001","90","","4586.42","0.14","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 Ca N6 -","- C52 H60 Ca N6 -","- C208 H240 Ca4 N24 -","4","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.1327","0.0799","","","0.1563","0.1804","","","","","","1.129","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048700","11.9581","0.0002","16.9041","0.0003","12.7267","0.0002","90","","114.685","0.001","90","","2337.5","0.07","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 Ca N6 -","- C50 H72 Ca N6 -","- C100 H144 Ca2 N12 -","2","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0412","0.0374","","","0.0816","0.0841","","","","","","1.042","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048701","11.9728","0.0002","16.9256","0.0004","12.7315","0.0003","90","","114.75","0.001","90","","2343.01","0.09","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 Ca N6 -","- C50 H72 Ca N6 -","- C100 H144 Ca2 N12 -","2","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0479","0.0404","","","0.0831","0.0875","","","","","","1.071","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048702","13.7474","0.0003","27.3642","0.0005","14.5119","0.0002","90","","110.447","0.001","90","","5115.23","0.17","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H76 N8 Sr -","- C53 H76 N8 Sr -","- C212 H304 N32 Sr4 -","4","1","","Krieck, Sven; Kalden, Diana; Oberheide, Ansgar; Seyfarth, Lydia; Arndt, Hans-Dieter; Görls, Helmar; Westerhausen, Matthias","Synthesis and catalytic activity of tridentate N-(2-pyridylethyl)-substituted bulky amidinates of calcium and strontium.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2479","2490","10.1039/c8dt04905j","","","0.71073","MoKα","","0.0613","0.0433","","","0.0811","0.0894","","","","","","1.078","","","","has coordinates","224301","2020-10-21","18:00:00",""
"7048703","23.6828","0.0012","31.4643","0.0016","18.0577","0.0007","90","","90","","90","","13455.9","1.1","173","2","173","2","","","","","","","","10","P c c n","-P 2ab 2ac","56","","","","- C69 H52 Cl3 N7 O7 Ti en lv so t -","- C69 H52 Cl3 N7 O7 Ti -","- C552 H416 Cl24 N56 O56 Ti8 -","8","1","","Barloy, L.; Heinrich, B.; Douce, L.; Henry, M.; Scarpi-Luttenauer, M; Kyritsakas, N.; Mobian, P.","A robust Ti(iv)-based mesogen constructed around a TiO<sub>4</sub>N<sub>2</sub> core.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1960","1963","10.1039/c8dt04972f","","","0.71073","MoKα","","0.1576","0.1013","","","0.3011","0.3424","","","","","","1.132","","","","has coordinates","224161","2020-10-21","18:00:00",""
"7048704","15.6855","0.0003","14.9114","0.0003","16.68","0.0003","90","","94.689","0.001","90","","3888.27","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl Cu P2 Te -","- C48 H36 Cl Cu P2 Te -","- C192 H144 Cl4 Cu4 P8 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Bis(6-diphenylphosphinoacenaphth-5-yl)telluride as a ligand toward coinage metal chlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2635","2645","10.1039/c9dt00089e","","","0.71073","MoKα","","0.0491","0.0439","","","0.0708","0.0724","","","","","","1.225","","","","has coordinates","223956","2020-10-21","18:00:00",""
"7048705","11.1426","0.0004","11.8187","0.0005","17.8258","0.0008","90.539","0.001","96.964","0.001","112.556","0.001","2147.93","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Ag Cl P2 Te -","- C48 H36 Ag Cl P2 Te -","- C96 H72 Ag2 Cl2 P4 Te2 -","2","1","","Do, Truong Giang; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Bis(6-diphenylphosphinoacenaphth-5-yl)telluride as a ligand toward coinage metal chlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2635","2645","10.1039/c9dt00089e","","","0.71073","MoKα","","0.0623","0.0372","","","0.0643","0.0691","","","","","","1.056","","","","has coordinates","223956","2020-10-21","18:00:00",""
"7048706","11.2428","0.0002","15.3293","0.0003","15.5607","0.0003","95.646","0.001","105.881","0.001","110.31","0.001","2362.84","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 Cl8 P2 Te -","- C51 H42 Cl8 P2 Te -","- C102 H84 Cl16 P4 Te2 -","2","1","","Do, Truong Giang; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Bis(6-diphenylphosphinoacenaphth-5-yl)telluride as a ligand toward coinage metal chlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2635","2645","10.1039/c9dt00089e","","","0.71073","MoKα","","0.0307","0.0231","","","0.0498","0.0521","","","","","","1.05","","","","has coordinates","223956","2020-10-21","18:00:00",""
"7048707","10.9482","0.0002","22.6458","0.0005","13.1929","0.0003","90","","100.046","0.002","90","","3220.78","0.12","100","0.12","100","0.12","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Cl Co F4 N5 O3 -","- C33 H35 Cl Co F4 N5 O3 -","- C132 H140 Cl4 Co4 F16 N20 O12 -","4","1","","King, A. Paden; Gellineau, Hendryck A.; MacMillan, Samantha N.; Wilson, Justin J.","Physical properties, ligand substitution reactions, and biological activity of Co(iii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5987","6002","10.1039/c8dt04606a","","x-ray","0.71073","MoKα","","0.0295","0.0264","","","0.0692","0.0706","","","","","","1.053","","","","has coordinates,has disorder","224417","2020-10-21","18:00:00",""
"7048708","7.9661","0.0002","11.0108","0.0002","11.9024","0.0002","65.768","0.002","89.306","0.002","82.092","0.002","941.82","0.04","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C13 H22 Cl Co F6 N4 O3 -","- C13 H22 Cl Co F6 N4 O3 -","- C26 H44 Cl2 Co2 F12 N8 O6 -","2","1","","King, A. Paden; Gellineau, Hendryck A.; MacMillan, Samantha N.; Wilson, Justin J.","Physical properties, ligand substitution reactions, and biological activity of Co(iii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5987","6002","10.1039/c8dt04606a","","x-ray","0.71073","MoKα","","0.0331","0.0274","","","0.0653","0.0675","","","","","","1.058","","","","has coordinates","224417","2020-10-21","18:00:00",""
"7048709","15.4493","0.0003","15.4493","0.0003","14.474","0.0005","90","","90","","90","","3454.67","0.15","100.01","0.1","100.01","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 Cl Co F8 N4 O3 -","- C30 H38 Cl Co F8 N4 O3 -","- C120 H152 Cl4 Co4 F32 N16 O12 -","4","0.5","","King, A. Paden; Gellineau, Hendryck A.; MacMillan, Samantha N.; Wilson, Justin J.","Physical properties, ligand substitution reactions, and biological activity of Co(iii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5987","6002","10.1039/c8dt04606a","","x-ray","0.71073","MoKα","","0.0592","0.0522","","","0.1481","0.1547","","","","","","1.048","","","","has coordinates,has disorder","224417","2020-10-21","18:00:00",""
"7048710","15.755","0.003","11.78","0.002","20.929","0.004","90","","109.538","0.002","90","","3660.6","1.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H44 N7 Ni2 O18.5 -","- C25 H44 N7 Ni2 O18.5 -","- C100 H176 N28 Ni8 O74 -","4","2","","Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis","Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2772","2784","10.1039/c8dt04631j","","","0.71073","MoKα","","0.0707","0.0499","","","0.1161","0.1277","","","","","","1.03","","","","has coordinates,has disorder","223957","2020-10-21","18:00:00",""
"7048711","17.6797","0.0016","12.8141","0.0016","14.3303","0.0015","90","","114.391","0.005","90","","2956.8","0.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Cl3 N4 Ni2 O3 -","- C27 H35 Cl3 N4 Ni2 O3 -","- C108 H140 Cl12 N16 Ni8 O12 -","4","0.5","","Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis","Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2772","2784","10.1039/c8dt04631j","","","0.71073","MoKα","","0.0426","0.0363","","","0.0956","0.1017","","","","","","1.081","","","","has coordinates,has disorder","223957","2020-10-21","18:00:00",""
"7048712","13.938","0.002","13.552","0.002","17.572","0.003","90","","102.448","0.004","90","","3241.1","0.9","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Br N4 Ni2 O7 -","- C29 H37 Br N4 Ni2 O7 -","- C116 H148 Br4 N16 Ni8 O28 -","4","1","","Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis","Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2772","2784","10.1039/c8dt04631j","","","0.71073","MoKα","","0.054","0.0343","","","0.0817","0.0891","","","","","","1.02","","","","has coordinates","223957","2020-10-21","18:00:00",""
"7048713","34.968","0.002","34.968","0.002","6.2485","0.0003","90","","90","","120","","6616.8","0.6","150","2","150","","","","","","","","","5","R -3","-R 3","148","","","","- C22 H38 N4 O4 P4 -","- C22 H38 N4 O4 P4 -","- C198 H342 N36 O36 P36 -","9","","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0655","0.0483","","","0.1074","0.1201","","","","","","1.039","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048714","14.956","0.0006","16.3767","0.0007","17.6289","0.0007","90","","101.459","0.004","90","","4231.8","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl4 Cu4 N4 O4 P4 -","- C28 H44 Cl4 Cu4 N4 O4 P4 -","- C112 H176 Cl16 Cu16 N16 O16 P16 -","4","1","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0418","0.0352","","","0.0844","0.0886","","","","","","1.038","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048715","9.263","0.0003","12.1825","0.0003","18.6917","0.0007","88.319","0.002","82.651","0.003","84.948","0.002","2083.49","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Cu2 I2 N6 O4 P4 -","- C32 H50 Cu2 I2 N6 O4 P4 -","- C64 H100 Cu4 I4 N12 O8 P8 -","2","1","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.039","0.0319","","","0.0677","0.0715","","","","","","1.04","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048716","8.5545","0.0003","8.8157","0.0003","17.6978","0.0005","87.933","0.003","87.232","0.003","63.913","0.004","1197.13","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 Cl2 Cu2 N4 O2 P2 -","- C18 H28 Cl2 Cu2 N4 O2 P2 -","- C36 H56 Cl4 Cu4 N8 O4 P4 -","2","1","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0257","0.0244","","","0.0629","0.064","","","","","","1.047","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048717","15.4007","0.0006","16.7327","0.0005","18.1852","0.0007","90","","113.29","0.004","90","","4304.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cu4 I4 N4 O4 P4 -","- C28 H44 Cu4 I4 N4 O4 P4 -","- C112 H176 Cu16 I16 N16 O16 P16 -","4","1","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0229","0.0202","","","0.0454","0.0461","","","","","","1.1","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048718","15.3981","0.0009","16.3342","0.001","17.8607","0.0011","90","","113.069","0.001","90","","4133","0.4","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br4 Cu4 N4 O4 P4 -","- C28 H44 Br4 Cu4 N4 O4 P4 -","- C112 H176 Br16 Cu16 N16 O16 P16 -","4","1","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0362","0.0294","","","0.0745","0.0782","","","","","","1.021","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048719","9.22027","0.00018","12.2451","0.0002","18.8242","0.0003","86.826","0.0014","79.334","0.0016","84.3383","0.0015","2076.91","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Br2 Cu2 N6 O4 P4 -","- C32 H50 Br2 Cu2 N6 O4 P4 -","- C64 H100 Br4 Cu4 N12 O8 P8 -","2","1","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.0418","0.0347","","","0.0832","0.0875","","","","","","1.035","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048720","16.4158","0.0013","10.4693","0.0007","17.2657","0.0016","90","","110.152","0.01","90","","2785.7","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Cl4 N4 O4 P4 Pd4 -","- C34 H58 Cl4 N4 O4 P4 Pd4 -","- C68 H116 Cl8 N8 O8 P8 Pd8 -","2","0.5","","Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah","Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ","Dalton Transactions","2019","","","","","10.1039/C8DT04819C","","","0.71073","MoKα","","0.1067","0.0722","","","0.1648","0.19","","","","","","1.04","","","","has coordinates","213305","2020-10-21","18:00:00",""
"7048721","9.9629","0.0002","10.4616","0.0002","18.5419","0.0003","90","","90.923","0.001","90","","1932.33","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","2","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","1.54178","CuKα","","0.041","0.0401","","","0.1036","0.1049","","","","","","1.043","","","","has coordinates,has disorder","224571","2020-10-21","18:00:00",""
"7048722","7.133","0.002","12.872","0.004","13.741","0.004","66.302","0.004","75.196","0.005","83.836","0.005","1116.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B10 Cl2 N2 -","- C16 H20 B10 Cl2 N2 -","- C32 H40 B20 Cl4 N4 -","2","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.0791","0.0618","","","0.1943","0.2156","","","","","","1.003","","","","has coordinates","224447","2020-10-21","18:00:00",""
"7048723","7.3966","0.0011","11.6224","0.0018","13.104","0.002","85.7","0.002","82.407","0.002","85.925","0.002","1111.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 B10 Cl2 N2 -","- C16 H24 B10 Cl2 N2 -","- C32 H48 B20 Cl4 N4 -","2","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.0664","0.0555","","","0.161","0.1736","","","","","","1.035","","","","has coordinates","224447","2020-10-21","18:00:00",""
"7048724","7.4532","0.0017","13.427","0.003","22.271","0.005","90","","92.261","0.006","90","","2227","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 B10 N2 -","- C18 H26 B10 N2 -","- C72 H104 B40 N8 -","4","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.0962","0.0496","","","0.1219","0.147","","","","","","1.013","","","","has coordinates","224447","2020-10-21","18:00:00",""
"7048725","11.268","0.008","19.419","0.014","39.46","0.03","90","","90","","90","","8634","11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H34 B10 N2 -","- C12 H34 B10 N2 -","- C192 H544 B160 N32 -","16","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.2822","0.096","","","0.1791","0.2295","","","","","","1.121","","","","has coordinates,has disorder","224447","2020-10-21","18:00:00",""
"7048726","8.829","0.005","11.088","0.005","12.66","0.006","107.034","0.009","98.56","0.009","109.841","0.006","1071.3","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H34 B10 N2 -","- C13 H34 B10 N2 -","- C26 H68 B20 N4 -","2","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.1361","0.0829","","","0.2015","0.2288","","","","","","1.012","","","","has coordinates,has disorder","224447","2020-10-21","18:00:00",""
"7048727","26.797","0.006","7.6904","0.0017","11.398","0.003","90","","90","","90","","2348.9","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H30 B10 N2 O2 -","- C18 H30 B10 N2 O2 -","- C72 H120 B40 N8 O8 -","4","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.046","0.0395","","","0.1052","0.1109","","","","","","1.035","","","","has coordinates","224447","2020-10-21","18:00:00",""
"7048728","9.9253","0.0005","13.783","0.0006","16.2197","0.0008","69.31","0.004","83.274","0.004","83.634","0.004","2055.7","0.18","150.03","0.1","150.03","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 N O18 S6 Tb2 -","- C33 H29 N O18 S6 Tb2 -","- C66 H58 N2 O36 S12 Tb4 -","2","1","","Wang, Yutong; Wang, Xia; Zhang, Kailiang; Wang, Xiaokang; Xin, Xuelian; Fan, Weidong; Dai, Fangna; Han, Yinfeng; Sun, Daofeng","Solvent-induced terbium metal-organic frameworks for highly selective detection of manganese(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2569","2573","10.1039/c9dt00006b","","x-ray","1.54184","CuKα","","0.0724","0.0622","","","0.1462","0.1546","","","","","","1.027","","","","has coordinates","223967","2020-10-21","18:00:00",""
"7048729","7.7585","0.0004","9.769","0.0005","13.2627","0.0007","82.04","0.004","74.628","0.005","75.679","0.004","936.27","0.09","280.21","0.1","280.21","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 O9 S3 Tb -","- C15 H12 O9 S3 Tb -","- C30 H24 O18 S6 Tb2 -","2","1","","Wang, Yutong; Wang, Xia; Zhang, Kailiang; Wang, Xiaokang; Xin, Xuelian; Fan, Weidong; Dai, Fangna; Han, Yinfeng; Sun, Daofeng","Solvent-induced terbium metal-organic frameworks for highly selective detection of manganese(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2569","2573","10.1039/c9dt00006b","","x-ray","1.54184","CuKα","","0.0662","0.0627","","","0.1759","0.1834","","","","","","1.06","","","","has coordinates","223967","2020-10-21","18:00:00",""
"7048730","8.8005","0.0008","9.3882","0.0013","10.636","0.0006","101.502","0.008","96.239","0.006","97.956","0.009","844.37","0.15","120","0.14","120","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C20 H46 Gd2 N8 O20 -","- C20 H46 Gd2 N8 O20 -","- C20 H46 Gd2 N8 O20 -","1","0.5","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0654","0.0593","","","0.1615","0.1671","","","","","","1.074","","","","has coordinates","224160","2020-10-21","18:00:00",""
"7048731","28.496","0.0006","14.9727","0.0003","9.1211","0.0002","90","","90","","90","","3891.63","0.14","383","0.14","383","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0378","0.0306","","","0.0548","0.0569","","","","","","1.009","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048732","28.3822","0.0006","14.9641","0.0003","9.077","0.0002","90","","90","","90","","3855.13","0.14","293","0.14","293","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0441","0.0357","","","0.0458","0.0486","","","","","","0.976","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048733","28.2783","0.0006","14.9386","0.0003","9.0311","0.0002","90","","90","","90","","3815.08","0.14","200","0.14","200","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0371","0.0327","","","0.0538","0.0555","","","","","","0.995","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048734","28.4536","0.0006","14.97","0.0003","9.1074","0.0002","90","","90","","90","","3879.3","0.14","353","0.14","353","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.044","0.0356","","","0.0516","0.0541","","","","","","0.975","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048735","19.051","0.004","20.642","0.004","22.34","0.004","90","","100.311","0.004","90","","8643","3","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-1","","- C72.5 H76 Eu2 N4 O26.5 Zn2 -","- C72.5 H76 Eu2 N4 O26.5 Zn2 -","- C290 H304 Eu8 N16 O106 Zn8 -","4","1","","Jiang, Dongmei; Yang, Xiaoping; Chen, Hongfen; Wang, Fei; Wang, Shiqing; Zhu, Ting; Zhang, Lijie; Huang, Shaoming","Cation sensing by luminescent high-nuclearity Zn-Eu Schiff base nanoscale complexes: high sensitivity to Ag<sup>+</sup> and Cd<sup>2+</sup> ions at the ppm level.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2206","2212","10.1039/c8dt04942d","","","0.71073","MoKα","","0.1158","0.0913","","","0.2305","0.2494","","","","","","1.128","","","","has coordinates","224151","2020-10-21","18:00:00",""
"7048736","19.141","0.004","20.744","0.004","22.564","0.004","90","","100.827","0.003","90","","8800","3","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-2","","- C73 H78 N4 Nd2 O26 Zn2 -","- C73 H78 N4 Nd2 O26 Zn2 -","- C292 H312 N16 Nd8 O104 Zn8 -","4","1","","Jiang, Dongmei; Yang, Xiaoping; Chen, Hongfen; Wang, Fei; Wang, Shiqing; Zhu, Ting; Zhang, Lijie; Huang, Shaoming","Cation sensing by luminescent high-nuclearity Zn-Eu Schiff base nanoscale complexes: high sensitivity to Ag<sup>+</sup> and Cd<sup>2+</sup> ions at the ppm level.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2206","2212","10.1039/c8dt04942d","","","0.71073","MoKα","","0.1601","0.0932","","","0.2395","0.2986","","","","","","1.123","","","","has coordinates","224151","2020-10-21","18:00:00",""
"7048737","18.086","0.004","22.236","0.005","20.024","0.005","90","","114.808","0.004","90","","7310","3","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-3","","- C102 H106 Eu6 N4 O52 Zn6 -","- C102 H106 Eu6 N4 O52 Zn6 -","- C204 H212 Eu12 N8 O104 Zn12 -","2","0.5","","Jiang, Dongmei; Yang, Xiaoping; Chen, Hongfen; Wang, Fei; Wang, Shiqing; Zhu, Ting; Zhang, Lijie; Huang, Shaoming","Cation sensing by luminescent high-nuclearity Zn-Eu Schiff base nanoscale complexes: high sensitivity to Ag<sup>+</sup> and Cd<sup>2+</sup> ions at the ppm level.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2206","2212","10.1039/c8dt04942d","","","0.71073","MoKα","","0.1251","0.0802","","","0.2122","0.2465","","","","","","0.922","","","","has coordinates","224151","2020-10-21","18:00:00",""
"7048738","15.353","0.0017","11.028","0.001","20.812","0.003","90","","102.899","0.006","90","","3434.8","0.7","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.0595","0.0452","","","0.0959","0.1047","","","","","","0.944","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048739","15.3431","0.0018","11.0404","0.001","20.877","0.003","90","","102.735","0.006","90","","3449.4","0.7","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.0608","0.0452","","","0.0967","0.1061","","","","","","0.962","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048740","15.3404","0.0018","11.0521","0.001","20.93","0.003","90","","102.584","0.006","90","","3463.3","0.7","130","","130","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.0647","0.0473","","","0.1029","0.1129","","","","","","0.965","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048741","15.3536","0.0019","11.069","0.0011","20.979","0.003","90","","102.497","0.006","90","","3480.9","0.7","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.0705","0.0515","","","0.1123","0.1228","","","","","","0.984","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048742","15.566","0.014","11.161","0.009","21.302","0.016","90","","102.022","0.014","90","","3620","5","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.1377","0.0943","","","0.2029","0.2281","","","","","","1.098","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048743","15.3428","0.0018","11.0604","0.001","20.949","0.003","90","","102.478","0.007","90","","3471","0.7","140","","140","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.0666","0.0487","","","0.1042","0.1138","","","","","","0.966","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048744","15.3379","0.0018","11.046","0.001","20.9","0.003","90","","102.657","0.006","90","","3454.9","0.7","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H8 Cl7 Cu F12 N2 O4 -","- C27 H8 Cl7 Cu F12 N2 O4 -","- C108 H32 Cl28 Cu4 F48 N8 O16 -","4","0.5","","Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi","One-dimensional magnetic chain composed of Cu<sup>II</sup> and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7090","7093","10.1039/c8dt05104f","","","0.71075","MoKα","","0.0633","0.0459","","","0.1016","0.1123","","","","","","0.949","","","","has coordinates","224453","2020-10-21","18:00:00",""
"7048745","13.22571","0.00013","18.46616","0.00017","20.7044","0.0002","90","","90","","90","","5056.6","0.08","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H54 Ir O P3 -","- C62 H54 Ir O P3 -","- C248 H216 Ir4 O4 P12 -","4","1","","Guan, Dexin; Godard, Cyril; Polas, Stacey M.; Tooze, Robert P.; Whitwood, Adrian C.; Duckett, Simon B.","Using para hydrogen induced polarization to study steps in the hydroformylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2664","2675","10.1039/c8dt04723e","","x-ray","0.71073","MoKα","","0.0155","0.0152","","","0.0366","0.0367","","","","","","1.041","","","","has coordinates,has disorder","223969","2020-10-21","18:00:00",""
"7048746","12.2491","0.0012","12.2632","0.0012","16.0048","0.0015","67.732","0.002","88.193","0.002","63.247","0.002","1958.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H47 Ir O P2 -","- C46 H47 Ir O P2 -","- C92 H94 Ir2 O2 P4 -","2","1","","Guan, Dexin; Godard, Cyril; Polas, Stacey M.; Tooze, Robert P.; Whitwood, Adrian C.; Duckett, Simon B.","Using para hydrogen induced polarization to study steps in the hydroformylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2664","2675","10.1039/c8dt04723e","","","0.71073","MoKα","","0.0439","0.0393","","","0.1013","0.1037","","","","","","1.055","","","","has coordinates","223969","2020-10-21","18:00:00",""
"7048747","10.2878","0.0007","18.41","0.0012","17.6432","0.0011","90","","91.633","0.002","90","","3340.2","0.4","115","2","115.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Iridium allyl carbonyl bis(triphenylphosphine)","","","- C40 H35 Ir O P2 -","- C40 H35 Ir O P2 -","- C160 H140 Ir4 O4 P8 -","4","1","","Guan, Dexin; Godard, Cyril; Polas, Stacey M.; Tooze, Robert P.; Whitwood, Adrian C.; Duckett, Simon B.","Using para hydrogen induced polarization to study steps in the hydroformylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2664","2675","10.1039/c8dt04723e","","","0.71073","MoKα","","0.043","0.0301","","","0.0676","0.0721","","","","","","1.027","","","","has coordinates","223969","2020-10-21","18:00:00",""
"7048748","26.04","0.005","7.551","0.0015","9.56","0.0019","90","","92.54","0.03","90","","1877.9","0.6","170","2","170","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12 H10 K N6 O Re S4 -","- C12 H10 K N6 O Re S4 -","- C48 H40 K4 N24 O4 Re4 S16 -","4","0.5","","Chrysochos, Nicolas; Ahmadi, Mohsen; Wahlefeld, Stefan; Rippers, Yvonne; Zebger, Ingo; Mroginski, Maria Andrea; Schulzke, Carola","Comparison of molybdenum and rhenium oxo bis-pyrazine-dithiolene complexes - in search of an alternative metal centre for molybdenum cofactor models.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2701","2714","10.1039/c8dt04237c","","","0.71073","MoKα","","0.0525","0.0422","","","0.1018","0.1093","","","","","","1.055","","","","has coordinates","223971","2020-10-21","18:00:00",""
"7048749","9.5168","0.0019","13.59","0.003","12.011","0.002","90","","94.25","0.03","90","","1549.2","0.5","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H46 Mo N6 O2 S4 -","- C24 H46 Mo N6 O2 S4 -","- C48 H92 Mo2 N12 O4 S8 -","2","1","","Chrysochos, Nicolas; Ahmadi, Mohsen; Wahlefeld, Stefan; Rippers, Yvonne; Zebger, Ingo; Mroginski, Maria Andrea; Schulzke, Carola","Comparison of molybdenum and rhenium oxo bis-pyrazine-dithiolene complexes - in search of an alternative metal centre for molybdenum cofactor models.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2701","2714","10.1039/c8dt04237c","","","0.71073","MoKα","","0.0345","0.0319","","","0.0863","0.0949","","","","","","0.913","","","","has coordinates","223971","2020-10-21","18:00:00",""
"7048750","9.944","0.014","12.969","0.019","14.91","0.02","90","","92.99","0.04","90","","1920","5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N -","- C21 H29 N -","- C84 H116 N4 -","4","1","","Kathewad, Neha; M C, Anagha; Parvin, Nasrina; Parambath, Sneha; Parameswaran, Pattiyil; Khan, Shabana","Facile Buchwald-Hartwig coupling of sterically encumbered substrates effected by PNP ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2730","2734","10.1039/c9dt00159j","","","0.71073","MoKα","","0.2388","0.0801","","","0.1965","0.2873","","","","","","0.922","","","","has coordinates","223955","2020-10-21","18:00:00",""
"7048751","13.119","0.003","8.223","0.002","13.364","0.003","90","0.03","103.93","0.03","90","0.03","1399.3","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 N4 -","- C68 H84 N4 -","- C68 H84 N4 -","1","0.25","","Kathewad, Neha; M C, Anagha; Parvin, Nasrina; Parambath, Sneha; Parameswaran, Pattiyil; Khan, Shabana","Facile Buchwald-Hartwig coupling of sterically encumbered substrates effected by PNP ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2730","2734","10.1039/c9dt00159j","","","0.71073","MoKα","","0.0652","0.0504","","","0.1568","0.1669","","","","","","1.604","","","","has coordinates","223955","2020-10-21","18:00:00",""
"7048752","12.224","0.004","9.583","0.003","18.985","0.007","90","","104.841","0.01","90","","2149.8","1.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N -","- C24 H35 N -","- C96 H140 N4 -","4","1","","Kathewad, Neha; M C, Anagha; Parvin, Nasrina; Parambath, Sneha; Parameswaran, Pattiyil; Khan, Shabana","Facile Buchwald-Hartwig coupling of sterically encumbered substrates effected by PNP ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2730","2734","10.1039/c9dt00159j","","","0.71073","MoKα","","0.1159","0.0619","","","0.0959","0.1004","","","","","","2.149","","","","has coordinates","223955","2020-10-21","18:00:00",""
"7048753","12.7575","0.0004","11.4706","0.0004","16.9277","0.0007","90","","104.391","0.004","90","","2399.41","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 N3 P Ru -","- C24 H32 Cl2 N3 P Ru -","- C96 H128 Cl8 N12 P4 Ru4 -","4","1","","Fang, Xiaolong; Li, Bin; Zheng, Jianwei; Wang, Xiaoping; Zhu, Hongping; Yuan, Youzhu","Ruthenium complexes with N-functionalized secondary amino ligands: a new class of catalysts toward efficient hydrogenation of esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2290","2294","10.1039/c8dt04957b","","","0.71","MoKα","","0.0641","0.0539","","","0.1392","0.1502","","","","","","1.035","","","","has coordinates,has disorder","224312","2020-10-21","18:00:00",""
"7048754","18.1403","0.0006","10.3239","0.0003","18.5086","0.0006","90","","106.797","0.003","90","","3318.38","0.19","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl2 N2 P2 Ru -","- C38 H36 Cl2 N2 P2 Ru -","- C152 H144 Cl8 N8 P8 Ru4 -","4","1","","Fang, Xiaolong; Li, Bin; Zheng, Jianwei; Wang, Xiaoping; Zhu, Hongping; Yuan, Youzhu","Ruthenium complexes with N-functionalized secondary amino ligands: a new class of catalysts toward efficient hydrogenation of esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2290","2294","10.1039/c8dt04957b","","","1.54178","CuKα","","0.033","0.0314","","","0.0843","0.0857","","","","","","1.038","","","","has coordinates","224312","2020-10-21","18:00:00",""
"7048755","12.7552","0.0006","11.4178","0.0006","19.7866","0.0011","90","","100.144","0.003","90","","2836.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C63 H82 O8 P2 Pd2 -","- C63 H82 O8 P2 Pd2 -","- C126 H164 O16 P4 Pd4 -","2","0.5","","Montgomery, Michelle; O'Brien, Harry M; Méndez-Gálvez, Carolina; Bromfield, Caitlin R.; Roberts, Jack P. M.; Winnicka, Anna M.; Horner, Andrew; Elorriaga, David; Sparkes, Hazel A.; Bedford, Robin B.","The surprisingly facile formation of Pd(i)-phosphido complexes from ortho-biphenylphosphines and palladium acetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3539","3542","10.1039/c8dt04926b","","","0.71073","MoKα","","0.0449","0.0312","","","0.0646","0.0702","","","","","","1.006","","","","has coordinates,has disorder","224535","2020-10-21","18:00:00",""
"7048756","9.3085","0.0002","10.5148","0.0003","13.9103","0.0003","74.242","0.001","72.221","0.001","69.11","0.001","1190.83","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Cl2 O4 P2 Pd2 -","- C52 H68 Cl2 O4 P2 Pd2 -","- C52 H68 Cl2 O4 P2 Pd2 -","1","0.5","","Montgomery, Michelle; O'Brien, Harry M; Méndez-Gálvez, Carolina; Bromfield, Caitlin R.; Roberts, Jack P. M.; Winnicka, Anna M.; Horner, Andrew; Elorriaga, David; Sparkes, Hazel A.; Bedford, Robin B.","The surprisingly facile formation of Pd(i)-phosphido complexes from ortho-biphenylphosphines and palladium acetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3539","3542","10.1039/c8dt04926b","","","0.71073","MoKα","","0.0217","0.0199","","","0.0508","0.0518","","","","","","1.073","","","","has coordinates","224535","2020-10-21","18:00:00",""
"7048757","28.277","0.0006","10.8401","0.0002","41.2461","0.0009","90","","98.002","0.001","90","","12519.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H92 F6 O4 P4 Pd2 -","- C64 H92 F6 O4 P4 Pd2 -","- C512 H736 F48 O32 P32 Pd16 -","8","1","","Montgomery, Michelle; O'Brien, Harry M; Méndez-Gálvez, Carolina; Bromfield, Caitlin R.; Roberts, Jack P. M.; Winnicka, Anna M.; Horner, Andrew; Elorriaga, David; Sparkes, Hazel A.; Bedford, Robin B.","The surprisingly facile formation of Pd(i)-phosphido complexes from ortho-biphenylphosphines and palladium acetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3539","3542","10.1039/c8dt04926b","","","0.71073","MoKα","","0.0603","0.0412","","","0.0893","0.097","","","","","","1.032","","","","has coordinates,has disorder","224535","2020-10-21","18:00:00",""
"7048758","11.5721","0.0004","15.3228","0.0005","22.479","0.0007","85.7858","0.0014","75.7187","0.0015","69.5539","0.0015","3619","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H108 F6 O4 P4 Pd2 -","- C72 H108 F6 O4 P4 Pd2 -","- C144 H216 F12 O8 P8 Pd4 -","2","1","","Montgomery, Michelle; O'Brien, Harry M; Méndez-Gálvez, Carolina; Bromfield, Caitlin R.; Roberts, Jack P. M.; Winnicka, Anna M.; Horner, Andrew; Elorriaga, David; Sparkes, Hazel A.; Bedford, Robin B.","The surprisingly facile formation of Pd(i)-phosphido complexes from ortho-biphenylphosphines and palladium acetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3539","3542","10.1039/c8dt04926b","","","0.71073","MoKα","","0.0305","0.0263","","","0.06","0.0618","","","","","","1.031","","","","has coordinates","224535","2020-10-21","18:00:00",""
"7048759","10.5842","0.0003","12.0661","0.0004","12.7702","0.0004","63.514","0.001","85.646","0.001","80.89","0.001","1441.27","0.08","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H70 Dy2 N8 O20 -","- C54 H70 Dy2 N8 O20 -","- C54 H70 Dy2 N8 O20 -","1","0.5","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Dunbar, Kim R.","Hard versus soft: zero-field dinuclear Dy(iii) oxygen bridged SMM and theoretical predictions of the sulfur and selenium analogues.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2872","2876","10.1039/c9dt00324j","","x-ray","0.71073","MoKα","","0.0172","0.0158","","","0.0381","0.0385","","","","","","1.12","","","","has coordinates","224320","2020-10-21","18:00:00",""
"7048760","25.9973","0.0009","12.6932","0.0004","19.6403","0.0006","90","","106.546","0.001","90","","6212.7","0.3","110","2","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77 Gd2 N7 O23 -","- C54 H77 Gd2 N7 O23 -","- C216 H308 Gd8 N28 O92 -","4","1","","Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Dunbar, Kim R.","Hard versus soft: zero-field dinuclear Dy(iii) oxygen bridged SMM and theoretical predictions of the sulfur and selenium analogues.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2872","2876","10.1039/c9dt00324j","","x-ray","0.71073","MoKα","","0.0416","0.0311","","","0.063","0.0676","","","","","","1.068","","","","has coordinates,has disorder","224320","2020-10-21","18:00:00",""
"7048761","12.886","0.002","12.993","0.002","16.345","0.003","78.553","0.003","71.205","0.002","62.174","0.002","2287.3","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H65 K Mg N2 O3 -","- C50 H65 K Mg N2 O3 -","- C100 H130 K2 Mg2 N4 O6 -","2","1","","Ma, Meimei; Wang, Huanhuan; Wang, Juju; Shen, Lingyi; Zhao, Yanxia; Xu, Wen-Hua; Wu, Biao; Yang, Xiao-Juan","Mg-Mg-bonded compounds with N,N'-dipp-substituted phenanthrene-diamido and o-phenylene-diamino ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2295","2299","10.1039/c9dt00028c","","","0.71073","MoKα","","0.0738","0.0469","","","0.1207","0.133","","","","","","1.014","","","","has coordinates","224307","2020-10-21","18:00:00",""
"7048762","9.703","0.003","13.489","0.004","19.372","0.005","104.191","0.003","92.282","0.003","110.287","0.003","2283.8","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H140 K2 Mg2 N10 O8 -","- C92 H136 K2 Mg2 N10 O8 -","- C92 H136 K2 Mg2 N10 O8 -","1","0.5","","Ma, Meimei; Wang, Huanhuan; Wang, Juju; Shen, Lingyi; Zhao, Yanxia; Xu, Wen-Hua; Wu, Biao; Yang, Xiao-Juan","Mg-Mg-bonded compounds with N,N'-dipp-substituted phenanthrene-diamido and o-phenylene-diamino ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2295","2299","10.1039/c9dt00028c","","","0.71073","MoKα","","0.0749","0.0592","","","0.1472","0.1567","","","","","","1.053","","","","has coordinates","224307","2020-10-21","18:00:00",""
"7048763","20.745","0.003","16.854","0.003","28.794","0.005","90","","90","","90","","10067","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H76 K Mg N2 O3 -","- C54 H68 K Mg N2 O3 -","- C432 H544 K8 Mg8 N16 O24 -","8","1","","Ma, Meimei; Wang, Huanhuan; Wang, Juju; Shen, Lingyi; Zhao, Yanxia; Xu, Wen-Hua; Wu, Biao; Yang, Xiao-Juan","Mg-Mg-bonded compounds with N,N'-dipp-substituted phenanthrene-diamido and o-phenylene-diamino ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2295","2299","10.1039/c9dt00028c","","","0.71073","MoKα","","0.0855","0.0623","","","0.1629","0.1821","","","","","","1.116","","","","has coordinates","224307","2020-10-21","18:00:00",""
"7048764","12.575","0.002","12.681","0.002","17.464","0.003","80.066","0.002","81.603","0.002","84.333","0.002","2706","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H174 Li2 Mg2 N6 O12 -","- C110 H174 Li2 Mg2 N6 O12 -","- C110 H174 Li2 Mg2 N6 O12 -","1","0.5","","Ma, Meimei; Wang, Huanhuan; Wang, Juju; Shen, Lingyi; Zhao, Yanxia; Xu, Wen-Hua; Wu, Biao; Yang, Xiao-Juan","Mg-Mg-bonded compounds with N,N'-dipp-substituted phenanthrene-diamido and o-phenylene-diamino ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2295","2299","10.1039/c9dt00028c","","","0.71073","MoKα","","0.0889","0.071","","","0.1629","0.1729","","","","","","1.028","","","","has coordinates","224307","2020-10-21","18:00:00",""
"7048765","11.227","0.004","14.518","0.004","35.949","0.009","88.46","0.02","85.33","0.02","86.8","0.02","5829","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H128 Al2 Ba O12 Si4 -","- C133 H128 Al2 Ba O12 Si4 -","- C266 H256 Al4 Ba2 O24 Si8 -","2","1","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.0943","0.0595","","","0.1111","0.125","","","","","","1.016","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048766","14.926","0.004","14.964","0.004","15.66","0.004","107.74","0.03","95.45","0.02","118.92","0.03","2790","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H138 O26 Si4 Sr4 Ti2 -","- C106 H138 O26 Si4 Sr4 Ti2 -","- C106 H138 O26 Si4 Sr4 Ti2 -","1","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.1025","0.0647","","","0.1421","0.1684","","","","","","1.034","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048767","13.359","0.004","15.235","0.006","15.87","0.006","112.91","0.03","93.04","0.03","90.47","0.03","2969","2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H146 O25 Si4 Sr4 Ti2 -","- C116 H146 O25 Si4 Sr4 Ti2 -","- C116 H146 O25 Si4 Sr4 Ti2 -","1","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.0589","0.0375","","","0.0785","0.0877","","","","","","1.038","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048768","11.641","0.002","23.511","0.003","21.993","0.005","90","","98.79","0.02","90","","5948.6","1.9","80","2","80","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C113.2 H144.8 Hf2 O26 Si4 Sr4 -","- C113.2 H144.8 Hf2 O26 Si4 Sr4 -","- C226.4 H289.6 Hf4 O52 Si8 Sr8 -","2","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.0651","0.0424","","","0.1033","0.1218","","","","","","1.086","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048769","11.599","0.004","23.593","0.005","21.871","0.006","90","","98.86","0.03","90","","5914","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110 H147 Cl O27 Si4 Sr4 Zr2 -","- C110 H147 Cl O27 Si4 Sr4 Zr2 -","- C220 H294 Cl2 O54 Si8 Sr8 Zr4 -","2","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.1584","0.0709","","","0.1141","0.1415","","","","","","1.008","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048770","11.394","0.004","14.12","0.004","19.167","0.005","100.03","0.02","102.58","0.03","112.84","0.03","2656.4","1.7","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H140 Ca2 Hf2 O24 Si4 -","- C110 H140 Ca2 Hf2 O24 Si4 -","- C110 H140 Ca2 Hf2 O24 Si4 -","1","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.0553","0.0494","","","0.1206","0.1247","","","","","","1.069","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048771","25.601","0.003","16.596","0.003","29.699","0.006","90","","96.88","0.03","90","","12527","4","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H148 Hf2 O25 Si4 Sr3 -","- C112 H148 Hf2 O25 Si4 Sr3 -","- C448 H592 Hf8 O100 Si16 Sr12 -","4","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.149","0.1086","","","0.2418","0.2675","","","","","","1.154","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048772","21.742","0.002","26.897","0.002","21.048","0.002","90","","118.7","0.02","90","","10797","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H120 Al2 O14 Si4 Sr -","- C120 H120 Al2 O14 Si4 Sr -","- C480 H480 Al8 O56 Si16 Sr4 -","4","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.1608","0.0785","","","0.1184","0.1485","","","","","","1.031","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048773","11.421","0.003","14.263","0.004","19.107","0.005","103.64","0.04","95.93","0.04","113.43","0.04","2706.7","1.8","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C108.8 H134.8 Ca2 Cl0.4 O22 Si4 Zr2 -","- C108.8 H134.8 Ca2 Cl0.4 O22 Si4 Zr2 -","- C108.8 H134.8 Ca2 Cl0.4 O22 Si4 Zr2 -","1","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.106","0.0681","","","0.1459","0.1688","","","","","","1.042","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048774","40.661","0.006","20.363","0.003","36.72","0.005","90","","90","","90","","30403","8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C290 H344 Ba8 Cl8 O40 Si8 Zr4 -","- C290 H344 Ba8 Cl8 O40 Si8 Zr4 -","- C1160 H1376 Ba32 Cl32 O160 Si32 Zr16 -","4","0.5","","Petrus, R.; Drąg-Jarząbek, A; Utko, J.; Lis, T.; Sobota, P.","Transformation of molecular compounds with Ba(Sr)/Al/Si and Ca(Sr, Ba)/Ti(Zr, Hf)/Si heteroelements as new efficient route to metal silicate materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4283","4298","10.1039/c8dt03796e","","","0.71073","MoKα","","0.0861","0.0695","","","0.1819","0.1923","","","","","","1.123","","","","has coordinates,has disorder","224267","2020-10-21","18:00:00",""
"7048775","16.082","0.002","14.797","0.002","25.996","0.004","90","","96.515","0.002","90","","6146.2","1.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H74 N2 P2 Yb2 -","- C71 H74 N2 P2 Yb2 -","- C284 H296 N8 P8 Yb8 -","4","1","","Ying, Huacheng; Gong, Mingzhu; Pi, Chengfu","Generation and reactivity of neutral 1,3-benzazaphosphole and anionic 1,3-benzazaphospholide ytterbium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2722","2729","10.1039/c8dt04768e","","","0.71073","MoKα","","0.0554","0.0408","","","0.1001","0.1062","","","","","","1.061","","","","has coordinates,has disorder","223963","2020-10-21","18:00:00",""
"7048776","38.22","0.006","8.3463","0.0014","22.987","0.004","90","","115.923","0.003","90","","6594.9","1.9","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 N P Yb2 -","- C39 H36 N P Yb2 -","- C312 H288 N8 P8 Yb16 -","8","1","","Ying, Huacheng; Gong, Mingzhu; Pi, Chengfu","Generation and reactivity of neutral 1,3-benzazaphosphole and anionic 1,3-benzazaphospholide ytterbium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2722","2729","10.1039/c8dt04768e","","","0.71073","MoKα","","0.0805","0.0562","","","0.1327","0.1445","","","","","","1.041","","","","has coordinates","223963","2020-10-21","18:00:00",""
"7048777","13.2386","0.0006","21.6434","0.001","15.4959","0.0007","90","","102.1","0.001","90","","4341.4","0.3","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H27 B F15 N P Yb -","- C48 H27 B F15 N P Yb -","- C192 H108 B4 F60 N4 P4 Yb4 -","4","1","","Ying, Huacheng; Gong, Mingzhu; Pi, Chengfu","Generation and reactivity of neutral 1,3-benzazaphosphole and anionic 1,3-benzazaphospholide ytterbium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2722","2729","10.1039/c8dt04768e","","","0.71073","MoKα","","0.036","0.0264","","","0.0604","0.0645","","","","","","1.032","","","","has coordinates","223963","2020-10-21","18:00:00",""
"7048778","11.4829","0.0005","18.7948","0.0008","12.6254","0.0006","90","","106.163","0.001","90","","2617.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H12 Cl4 Dy N2 O6 -","- C26 H12 Cl4 Dy N2 O6 -","- C104 H48 Cl16 Dy4 N8 O24 -","4","1","","Zhang, Ju-Wen; Man, Yi; Liu, Wen-Hua; Liu, Bin-Qiu; Dong, Yan-Ping","A Dy<sub>2</sub> dimer derived from a two-dimensional network with a high U<sub>eff</sub> value.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2560","2563","10.1039/c8dt04836c","","","0.71073","MoKα","","0.0449","0.0289","","","0.048","0.0515","","","","","","1.074","","","","has coordinates","223968","2020-10-21","18:00:00",""
"7048779","42.967","0.002","11.6599","0.0006","24.2264","0.0012","90","","116.906","0.002","90","","10823.4","0.9","150","2","150.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H42 Cl0 Cu F6 N4 O P3 -","- C59 H42 Cu F6 N4 O P3 -","- C472 H336 Cu8 F48 N32 O8 P24 -","8","1","","Shi, Ying; Liu, Xia; Shan, Yuyu; Zhang, Xia; Kong, Weibo; Lu, Yuenan; Tan, Zhidan; Li, Xiu-Ling","Naked-eye repeatable off-on-off and on-off-on switching luminescence of copper(i)-1H-imidazo[4,5-f][1,10]phenanthroline complexes with reversible acid-base responses.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2430","2441","10.1039/c8dt04538k","","","0.71073","MoKα","","0.0901","0.0549","","","0.1434","0.1708","","","","","","1.023","","","","has coordinates","224313","2020-10-21","18:00:00",""
"7048780","11.303","0.004","13.704","0.004","21.312","0.007","105.655","0.004","100.773","0.004","101.648","0.004","3009.5","1.7","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H51 Cl0 Cu N4 O2 P2 -","- C68 H51 Cu N4 O2 P2 -","- C136 H102 Cu2 N8 O4 P4 -","2","1","","Shi, Ying; Liu, Xia; Shan, Yuyu; Zhang, Xia; Kong, Weibo; Lu, Yuenan; Tan, Zhidan; Li, Xiu-Ling","Naked-eye repeatable off-on-off and on-off-on switching luminescence of copper(i)-1H-imidazo[4,5-f][1,10]phenanthroline complexes with reversible acid-base responses.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2430","2441","10.1039/c8dt04538k","","","0.71073","MoKα","","0.0594","0.042","","","0.1055","0.1141","","","","","","1.038","","","","has coordinates","224313","2020-10-21","18:00:00",""
"7048781","11.7392","0.0004","16.1442","0.0005","16.9695","0.0006","65.672","0.001","72.006","0.001","82.884","0.001","2787.13","0.16","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H51 Cl4 Cu N4 O2 P2 -","- C64 H51 Cl4 Cu N4 O2 P2 -","- C128 H102 Cl8 Cu2 N8 O4 P4 -","2","1","","Shi, Ying; Liu, Xia; Shan, Yuyu; Zhang, Xia; Kong, Weibo; Lu, Yuenan; Tan, Zhidan; Li, Xiu-Ling","Naked-eye repeatable off-on-off and on-off-on switching luminescence of copper(i)-1H-imidazo[4,5-f][1,10]phenanthroline complexes with reversible acid-base responses.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2430","2441","10.1039/c8dt04538k","","","0.71073","MoKα","","0.0443","0.0386","","","0.1112","0.115","","","","","","1.061","","","","has coordinates,has disorder","224313","2020-10-21","18:00:00",""
"7048782","9.9994","0.0004","11.3818","0.0005","20.3653","0.0007","90","","90","","90","","2317.8","0.16","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Fe K N2 O10 -","- C14 H30 Fe K N2 O10 -","- C56 H120 Fe4 K4 N8 O40 -","4","1","","Liu, Pai-Heng; Tsai, Fu-Te; Chen, Bo-Hao; Hsu, I-Jui; Hsieh, Hung-Hsi; Liaw, Wen-Feng","Insight into chalcogenolate-bound {Fe(NO)<sub>2</sub>}<sup>9</sup> dinitrosyl iron complexes (DNICs): covalent character versus ionic character.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6040","6050","10.1039/c8dt04670k","","","0.71073","MoKα","","0.0539","0.0429","","","0.1027","0.109","","","","","","1.055","","","","has coordinates","224413","2020-10-21","18:00:00",""
"7048783","11.8963","0.0015","8.4665","0.0009","20.035","0.002","90","","91.071","0.004","90","","2017.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 Fe K N2 O9 -","- C13 H27 Fe K N2 O9 -","- C52 H108 Fe4 K4 N8 O36 -","4","1","","Liu, Pai-Heng; Tsai, Fu-Te; Chen, Bo-Hao; Hsu, I-Jui; Hsieh, Hung-Hsi; Liaw, Wen-Feng","Insight into chalcogenolate-bound {Fe(NO)<sub>2</sub>}<sup>9</sup> dinitrosyl iron complexes (DNICs): covalent character versus ionic character.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6040","6050","10.1039/c8dt04670k","","","0.71073","MoKα","","0.0569","0.0436","","","0.1096","0.1157","","","","","","1.011","","","","has coordinates","224413","2020-10-21","18:00:00",""
"7048784","7.4731","0.0005","13.2115","0.001","14.9811","0.0011","86.824","0.004","81.552","0.004","81.251","0.004","1445.2","0.18","221.99","","221.99","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 B Cl2 Cu F4 N3 -","- C24 H40 B0.9999 Cl2 Cu F3.9996 N3 -","- C48 H80 B1.9998 Cl4 Cu2 F7.9992 N6 -","2","1","","Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd","A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies","Dalton Transactions","2019","","","","","10.1039/C8DT04858D","","","0.71073","MoKα","","0.0619","0.0424","","","0.1096","0.1222","","","","","","1.035","","","","has coordinates,has disorder","213360","2020-10-21","18:00:00",""
"7048785","11.2232","0.0015","11.2232","0.0015","27.924","0.004","90","","90","","120","","3046.1","0.7","150","","150","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C18 H24 B0.5 Cu0.5 F2 N2 -","- C18 H24 B0.5 Cu0.5 F2 N2 -","- C108 H144 B3 Cu3 F12 N12 -","6","1","","Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd","A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies","Dalton Transactions","2019","","","","","10.1039/C8DT04858D","","","0.71073","MoKα","","0.0857","0.0787","","","0.2163","0.2253","","","","","","1.097","","","","has coordinates,has disorder","213360","2020-10-21","18:00:00",""
"7048786","19.423","0.0019","19.423","0.0019","29.434","0.003","90","","90","","120","","9616.4","1.7","149.99","","149.99","","","","","","","","","7","R 3","R 3","146","","","","- C36.33 H48 Cu F8 N4 O P1.33 -","- C36.333 H47.9991 Cu F8.0002 N4 O P1.3333 -","- C326.997 H431.992 Cu9 F72.0018 N36 O9 P11.9997 -","9","","","Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd","A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies","Dalton Transactions","2019","","","","","10.1039/C8DT04858D","","","0.71073","MoKα","","0.1592","0.0812","","","0.2111","0.2586","","","","","","1.025","","","","has coordinates,has disorder","213360","2020-10-21","18:00:00",""
"7048787","21.073","0.003","14.264","0.002","16.949","0.003","90","","90","","90","","5094.6","1.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H22 N2 O2 Se -","- C34 H22 N2 O2 Se -","- C272 H176 N16 O16 Se8 -","8","2","","Kadu, Rahul; Batabyal, Monojit; Kadyan, Heena; Koner, Apurba Lal; Kumar, Sangit","An efficient copper-catalyzed synthesis of symmetrical bis(N-arylbenzamide) selenides and their conversion to hypervalent spirodiazaselenuranes and hydroxy congeners.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7249","7260","10.1039/c8dt04832k","","","0.71073","MoKα","","0.0962","0.0518","","","0.0898","0.1067","","","","","","0.959","","","","has coordinates","224443","2020-10-21","18:00:00",""
"7048788","13.809","0.0003","21.5866","0.0008","15.4832","0.0006","90","","92.98","0.003","90","","4609.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H81 P Th -","- C49 H81 P Th -","- C196 H324 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","x-ray","1.54184","CuKα","","0.0878","0.0772","","","0.1694","0.1768","","","","","","1.09","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048789","13.4503","0.0004","17.0758","0.0005","17.6755","0.0005","90","","97.625","0.003","90","","4023.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 N4 Th -","- C42 H68 N4 Th -","- C168 H272 N16 Th4 -","4","0.5","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","x-ray","0.71073","MoKα","","0.0397","0.0336","","","0.0618","0.0634","","","","","","1.131","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048790","10.2293","0.0001","20.8251","0.0002","17.4204","0.0002","90","","95.537","0.001","90","","3693.69","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 O Th -","- C40 H66 O Th -","- C160 H264 O4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","x-ray","1.54184","CuKα","","0.0328","0.0291","","","0.0706","0.0731","","","","","","1.03","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048791","22.726","0.006","20.038","0.005","19.906","0.005","90","","104.794","0.003","90","","8764","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 Se2 Th -","- C46 H68 Se2 Th -","- C368 H544 Se16 Th8 -","8","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","","0.71073","MoKα","","0.0353","0.0272","","","0.0554","0.0577","","","","","","1.025","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048792","10.3422","0.0004","19.3149","0.0005","21.2672","0.0006","90","","102.863","0.003","90","","4141.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H68 P2 Th -","- C46 H68 P2 Th -","- C184 H272 P8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","x-ray","0.71073","MoKα","","0.0769","0.0455","","","0.0702","0.0779","","","","","","1.129","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048793","12.0224","0.0005","14.9397","0.0006","19.817","0.0008","68.243","0.004","82.483","0.004","80.226","0.004","3248.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H109 N P Th -","- C70 H109 N P Th -","- C140 H218 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","x-ray","1.54184","CuKα","","0.0494","0.0422","","","0.0981","0.1029","","","","","","1.045","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048794","12.2839","0.0003","18.1136","0.0005","16.7491","0.0005","90","","92.286","0.002","90","","3723.8","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 O P Th -","- C37 H65 O P Th -","- C148 H260 O4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Walter, Marc D.","A base-free terminal thorium phosphinidene metallocene and its reactivity toward selected organic molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2377","2387","10.1039/c9dt00012g","","x-ray","1.54184","CuKα","","0.0752","0.0612","","","0.1534","0.1686","","","","","","1.069","","","","has coordinates","224308","2020-10-21","18:00:00",""
"7048795","12.621","0.003","12.751","0.002","16.797","0.003","93.553","0.003","110.782","0.003","99.534","0.003","2470.9","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H57 Mn2 Na9 O94 Sb2 Sn2 W18 -","- C6 H32 Mn2 Na9 O94 Sb2 Sn2 W18 -","- C6 H32 Mn2 Na9 O94 Sb2 Sn2 W18 -","1","0.5","","Wang, Hai-Dan; Wang, Xing-Fang; Su, Fang; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Zhu, Zai-Ming","Carboxyethyltin and transition metal co-functionalized tungstoantimonates composited with polypyrrole for enhanced electrocatalytic methanol oxidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2977","2987","10.1039/c8dt05118f","","","0.71073","MoKα","","0.0496","0.0417","","","0.1139","0.1192","","","","","","1.031","","","","has coordinates,has disorder","224323","2020-10-21","18:00:00",""
"7048796","12.4709","0.0019","12.6542","0.0018","16.428","0.002","94.899","0.002","109.885","0.003","101.197","0.003","2359.1","0.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C6 H64 K2 Na8 O98 Sb2 Sn2 W18 Zn2 -","- C6 H60 K2 Na8 O98 Sb2 Sn2 W18 Zn2 -","- C6 H60 K2 Na8 O98 Sb2 Sn2 W18 Zn2 -","1","0.5","","Wang, Hai-Dan; Wang, Xing-Fang; Su, Fang; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Zhu, Zai-Ming","Carboxyethyltin and transition metal co-functionalized tungstoantimonates composited with polypyrrole for enhanced electrocatalytic methanol oxidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2977","2987","10.1039/c8dt05118f","","","0.71073","MoKα","","0.1468","0.0955","","","0.3367","0.3894","","","","","","1.093","","","","has coordinates,has disorder","224323","2020-10-21","18:00:00",""
"7048797","12.4828","0.0018","12.6293","0.0017","16.44","0.002","94.595","0.002","109.959","0.002","101.665","0.002","2354.3","0.5","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C6 H68 K5 Na5 Ni2 O100 Sb2 Sn2 W18 -","- C6 H52 K5 Na5 Ni2 O100 Sb2 Sn2 W18 -","- C6 H52 K5 Na5 Ni2 O100 Sb2 Sn2 W18 -","1","0.5","","Wang, Hai-Dan; Wang, Xing-Fang; Su, Fang; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Zhu, Zai-Ming","Carboxyethyltin and transition metal co-functionalized tungstoantimonates composited with polypyrrole for enhanced electrocatalytic methanol oxidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2977","2987","10.1039/c8dt05118f","","","0.71073","MoKα","","0.073","0.0419","","","0.0851","0.0977","","","","","","1.037","","","","has coordinates,has disorder","224323","2020-10-21","18:00:00",""
"7048798","12.4391","0.0012","12.6196","0.0012","16.3813","0.0016","94.581","0.002","109.896","0.002","101.759","0.002","2335.9","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C6 H69 Co2 K5 Na4 O100 Sb2 Sn2 W18 -","- C6 H56 Co2 K5 Na4 O100 Sb2 Sn2 W18 -","- C6 H56 Co2 K5 Na4 O100 Sb2 Sn2 W18 -","1","0.5","","Wang, Hai-Dan; Wang, Xing-Fang; Su, Fang; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Zhu, Zai-Ming","Carboxyethyltin and transition metal co-functionalized tungstoantimonates composited with polypyrrole for enhanced electrocatalytic methanol oxidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2977","2987","10.1039/c8dt05118f","","","0.71073","MoKα","","0.0562","0.0365","","","0.0715","0.0788","","","","","","0.979","","","","has coordinates,has disorder","224323","2020-10-21","18:00:00",""
"7048799","9.149","0.002","13.467","0.002","20.06","0.006","90","","96.18","0.02","90","","2457.2","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl2 Co N4 -","- C26 H38 Cl2 Co N4 -","- C104 H152 Cl8 Co4 N16 -","4","0.5","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.1325","0.0953","","","0.2144","0.2275","","","","","","1.041","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048800","7.6252","0.001","11.0029","0.0014","14.884","0.002","71.316","0.01","81.906","0.011","87.281","0.011","1171.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 F6 N4 Ni O2 P -","- C20 H33 F6 N4 Ni O2 P -","- C40 H66 F12 N8 Ni2 O4 P2 -","2","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.064","0.0478","","","0.1669","0.1762","","","","","","1.059","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048801","9.2044","0.0011","12.7702","0.0017","19.65","0.003","90","","90","","90","","2309.7","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 Co F12 N4 O2 P2 -","- C14 H29 Co F12 N4 O2 P2 -","- C56 H116 Co4 F48 N16 O8 P8 -","4","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0812","0.0376","","","0.0509","0.0583","","","","","","0.6","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048802","8.8352","0.0017","13.1417","0.0017","19.92","0.003","90","","91.985","0.016","90","","2311.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl2 N4 Ni -","- C24 H34 Cl2 N4 Ni -","- C96 H136 Cl8 N16 Ni4 -","4","0.5","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0308","0.0258","","","0.067","0.0685","","","","","","1.049","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048803","25.992","0.003","25.992","0.003","17.3325","0.0015","90","","90","","120","","10140.8","1.9","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C16 H35 Co F6 N4 O3 P -","- C16 H35 Co F6 N4 O3 P -","- C288 H630 Co18 F108 N72 O54 P18 -","18","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0779","0.037","","","0.0563","0.0624","","","","","","0.678","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048804","16.0338","0.0018","11.4266","0.0014","17.658","0.002","90","","104.712","0.009","90","","3129.1","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 Co F12 N4 O2 P2 -","- C26 H37 Co F12 N4 O2 P2 -","- C104 H148 Co4 F48 N16 O8 P8 -","4","0.5","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.089","0.0469","","","0.0924","0.1059","","","","","","0.94","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048805","12.021","0.0016","16.226","0.003","12.4026","0.0016","90","","103.909","0.01","90","","2348.2","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 Cl2 F6 N4 Ni O2 P -","- C15 H31 Cl2 F6 N4 Ni O2 P -","- C60 H124 Cl8 F24 N16 Ni4 O8 P4 -","4","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0975","0.0678","","","0.1275","0.1348","","","","","","1.075","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048806","10.2977","0.0014","10.4483","0.0013","16.902","0.002","98.981","0.01","104.607","0.01","106.546","0.01","1635.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H47 F6 N4 Ni O4 P -","- C29 H47 F6 N4 Ni O4 P -","- C58 H94 F12 N8 Ni2 O8 P2 -","2","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0674","0.0496","","","0.1242","0.1334","","","","","","1.044","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048807","9.0137","0.0016","13.3814","0.0017","20.352","0.003","90","","90","","90","","2454.8","0.6","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H38 Cl2 N4 Ni -","- C26 H38 Cl2 N4 Ni -","- C104 H152 Cl8 N16 Ni4 -","4","0.5","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0391","0.0311","","","0.0603","0.062","","","","","","1.035","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048808","18.148","0.0018","9.4592","0.0008","20.795","0.002","90","","119.919","0.007","90","","3094","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 F6 N4 Ni O4 P -","- C27 H43 F6 N4 Ni O4 P -","- C108 H172 F24 N16 Ni4 O16 P4 -","4","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0585","0.0352","","","0.0775","0.0841","","","","","","0.945","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048809","24.1934","0.0016","13.0996","0.0006","21.9782","0.0016","90","","115.652","0.002","90","","6278.9","0.7","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[{PhB(MeIm)3}Co(acac)(MeImH)]OTf H2O","[{tris(1-methylimidazol-2-ylidene-3-yl)phenylborato}(acetylacetonato)(1-methylimidazole)cobalt(III)] triflate H2O","","- C28 H35 B Co F3 N8 O6 S -","- C28 H35 B Co F3 N8 O6 S -","- C224 H280 B8 Co8 F24 N64 O48 S8 -","8","1","","Nishiura, Toshiki; Takabatake, Asako; Okutsu, Mariko; Nakazawa, Jun; Hikichi, Shiro","Heteroleptic cobalt(iii) acetylacetonato complexes with N-heterocyclic carbine-donating scorpionate ligands: synthesis, structural characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2564","2568","10.1039/c8dt04469d","","","0.71073","MoKα","","0.0513","0.0488","","","0.1388","0.1415","","","","","","1.069","","","","has coordinates,has disorder","223958","2020-10-21","18:00:00",""
"7048810","9.9266","0.0004","12.0407","0.0007","19.3675","0.0008","89.36","0.006","86.399","0.005","85.143","0.005","2301.96","0.19","173","2","173","2","","","","","","","","9","P -1","-P 1","2","[Co(PhBMeIm3)2](OTf)(CH2Cl2)2","[bis(tris(1-methylimidazol-2-ylidene-3-yl)phenylborato)cobalt(III)](OTf)(CH2Cl2)2","","- C39 H44 B2 Cl4 Co F3 N12 O3 S -","- C39 H44 B2 Cl4 Co F3 N12 O3 S -","- C78 H88 B4 Cl8 Co2 F6 N24 O6 S2 -","2","1","","Nishiura, Toshiki; Takabatake, Asako; Okutsu, Mariko; Nakazawa, Jun; Hikichi, Shiro","Heteroleptic cobalt(iii) acetylacetonato complexes with N-heterocyclic carbine-donating scorpionate ligands: synthesis, structural characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2564","2568","10.1039/c8dt04469d","","","0.71073","MoKα","","0.0579","0.0532","","","0.1525","0.1571","","","","","","1.036","","","","has coordinates,has disorder","223958","2020-10-21","18:00:00",""
"7048811","30.906","0.002","20.3398","0.0015","7.5421","0.0006","90","","90","","90","","4741.1","0.6","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H58 Cl3 Dy O14 P2 -","- C38 H56 Cl3 Dy O14 P2 -","- C152 H224 Cl12 Dy4 O56 P8 -","4","0.5","","Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min","Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2735","2740","10.1039/c9dt00073a","","","0.71073","MoKα","","0.085","0.0813","","","0.1753","0.1772","","","","","","1.004","","","","has coordinates,has disorder","223965","2020-10-21","18:00:00",""
"7048812","30.875","0.003","20.3031","0.0017","7.5804","0.0006","90","","90","","90","","4751.8","0.7","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H54 Cl3 Gd O12 P2 -","- C38 H54 Cl3 Gd O12 P2 -","- C152 H216 Cl12 Gd4 O48 P8 -","4","0.5","","Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min","Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2735","2740","10.1039/c9dt00073a","","","0.71073","MoKα","","0.1012","0.0969","","","0.2212","0.2233","","","","","","1.01","","","","has coordinates,has disorder","223965","2020-10-21","18:00:00",""
"7048813","30.722","0.002","20.3442","0.0014","7.5758","0.0005","90","","90","","90","","4735","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H56 Cl3 Er O13 P2 -","- C38 H56 Cl3 Er O13 P2 -","- C152 H224 Cl12 Er4 O52 P8 -","4","0.5","","Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min","Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2735","2740","10.1039/c9dt00073a","","","0.71073","MoKα","","0.0716","0.0622","","","0.1307","0.1351","","","","","","1.006","","","","has coordinates,has disorder","223965","2020-10-21","18:00:00",""
"7048814","15.01","0.002","12.9027","0.0019","20.065","0.003","90","","90","","90","","3886","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Cl2 N4 O2 Zn -","- C15 H24 Cl2 N4 O2 Zn -","- C120 H192 Cl16 N32 O16 Zn8 -","8","1","","Schäfer, Pascal M; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth D.; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka N.; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja","Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6071","6082","10.1039/c8dt04938f","","","0.71073","MoKα","","0.049","0.0359","","","0.0817","0.0877","","","","","","1.038","","","","has coordinates","224421","2020-10-21","18:00:00",""
"7048815","9.4998","0.0004","16.0292","0.0007","11.7929","0.0005","90","","105.045","0.001","90","","1734.2","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cl3 N3 O2 Zn -","- C13 H18 Cl3 N3 O2 Zn -","- C52 H72 Cl12 N12 O8 Zn4 -","4","1","","Schäfer, Pascal M; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth D.; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka N.; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja","Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6071","6082","10.1039/c8dt04938f","","","0.71073","MoKα","","0.0336","0.0274","","","0.0636","0.0667","","","","","","1.071","","","","has coordinates","224421","2020-10-21","18:00:00",""
"7048816","9.5828","0.0004","16.0067","0.0007","11.7969","0.0005","90","","104.917","0.001","90","","1748.53","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Cl2 N3 O2 Zn -","- C14 H21 Cl2 N3 O2 Zn -","- C56 H84 Cl8 N12 O8 Zn4 -","4","1","","Schäfer, Pascal M; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth D.; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka N.; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja","Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6071","6082","10.1039/c8dt04938f","","","0.71073","MoKα","","0.0313","0.0261","","","0.0658","0.0678","","","","","","1.047","","","","has coordinates","224421","2020-10-21","18:00:00",""
"7048817","17.377","0.004","8.0888","0.0016","13.258","0.003","90","","90.439","0.004","90","","1863.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","monoclinic","","","- C15 H24 Cl2 N4 O2 Zn -","- C15 H24 Cl2 N4 O2 Zn -","- C60 H96 Cl8 N16 O8 Zn4 -","4","1","","Schäfer, Pascal M; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth D.; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka N.; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja","Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6071","6082","10.1039/c8dt04938f","","","0.71073","MoKα","","0.0596","0.0418","","","0.0959","0.1039","","","","","","1.024","","","","has coordinates","224421","2020-10-21","18:00:00",""
"7048818","21.0289","0.0002","21.0289","0.0002","9.5708","0.0002","90","","90","","90","","4232.35","0.11","446","2","446","2","","","","","","","","8","P 4/n b m :2","-P 4a 2b","125","","","","- C10 H16 Cl La N2 Na4 O14 P -","- C10 H17.5 Cl0.99 La N2 Na4 O14 P -","- C80 H140 Cl7.92 La8 N16 Na32 O112 P8 -","8","0.5","","Wang, Si-Yuan; Gao, Song; Dai, Jun-Wei; Shi, Yan-Ru; Dong, Xin; Weng, Weizheng; Zhou, Zhao-Hui","Carbonate and phosphite encaged in the frameworks constructed by square lanthanum aminopolycarboxylates and sodium chlorides","Dalton Transactions","2019","","","","","10.1039/C8DT04940H","","","0.71073","MoKα","","0.0788","0.0781","","","0.1653","0.1657","","","","","","1.209","","","","has coordinates","213381","2020-10-21","18:00:00",""
"7048819","21.022","0.0003","21.022","0.0003","9.5449","0.0003","90","","90","","90","","4218.13","0.16","173","","173","","","","","","","","","7","P 4/n b m","-P 4a 2b","125","","","","- C44 H56 Cl8 La4 N8 Na20 O48 -","- C44 H56 Cl7.9996 La4 N8 Na20 O48 -","- C88 H112 Cl15.9992 La8 N16 Na40 O96 -","2","","","Wang, Si-Yuan; Gao, Song; Dai, Jun-Wei; Shi, Yan-Ru; Dong, Xin; Weng, Weizheng; Zhou, Zhao-Hui","Carbonate and phosphite encaged in the frameworks constructed by square lanthanum aminopolycarboxylates and sodium chlorides","Dalton Transactions","2019","","","","","10.1039/C8DT04940H","","x-ray","0.71073","MoKα","","0.0917","0.0805","","","0.1609","0.1657","","","","","","1.208","","","","has coordinates","213381","2020-10-21","18:00:00",""
"7048820","32.8933","0.001","9.4679","0.0004","34.2291","0.0014","90","","102.532","0.004","90","","10406","0.7","173.15","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H118 K12 La4 N8 O67 -","- C60 H72 K12 La4 N8 O67 -","- C240 H288 K48 La16 N32 O268 -","4","0.5","","Wang, Si-Yuan; Gao, Song; Dai, Jun-Wei; Shi, Yan-Ru; Dong, Xin; Weng, Weizheng; Zhou, Zhao-Hui","Carbonate and phosphite encaged in the frameworks constructed by square lanthanum aminopolycarboxylates and sodium chlorides","Dalton Transactions","2019","","","","","10.1039/C8DT04940H","","","0.71073","MoKα","","0.097","0.0748","","","0.1435","0.1529","","","","","","1.09","","","","has coordinates","213381","2020-10-21","18:00:00",""
"7048821","12.9372","0.0004","22.1222","0.0005","19.5024","0.0007","90","","108.947","0.003","90","","5279.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48 Mo N2 P5 -","- C59 H48 Mo N2 P5 -","- C236 H192 Mo4 N8 P20 -","4","1","","Weyrich, Thomas; Krahmer, Jan; Engesser, Tobias A.; Näther, Christian; Tuczek, Felix","Molybdenum dinitrogen complex supported by a cyclohexane-based triphosphine ligand and dmpm.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6019","6025","10.1039/c8dt04738c","","","0.71073","MoKα","","0.0862","0.0598","","","0.144","0.1587","","","","","","1.043","","","","has coordinates,has disorder","224403","2020-10-21","18:00:00",""
"7048822","10.7012","0.0002","23.6772","0.0006","13.8942","0.0004","90","","90","","90","","3520.44","0.15","170","2","170","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C42 H39 P3 -","- C42 H39 P3 -","- C168 H156 P12 -","4","1","","Weyrich, Thomas; Krahmer, Jan; Engesser, Tobias A.; Näther, Christian; Tuczek, Felix","Molybdenum dinitrogen complex supported by a cyclohexane-based triphosphine ligand and dmpm.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6019","6025","10.1039/c8dt04738c","","","0.71073","MoKα","","0.0421","0.0378","","","0.09","0.0922","","","","","","1.043","","","","has coordinates","224403","2020-10-21","18:00:00",""
"7048823","8.7205","0.0001","30.8866","0.0005","25.4645","0.0006","90","","90.917","0.001","90","","6857.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl-(m2-ethane-1,2-dithiolato)-(4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione)-di-iron","","- C71 H54 Cl2 Fe4 O12 P4 S4 -","- C71 H54 Cl2 Fe4 O12 P4 S4 -","- C284 H216 Cl8 Fe16 O48 P16 S16 -","4","1","","Ghosh, Shishir; Hollingsworth, Nathan; Warren, Mark; Hrovat, David A.; Richmond, Michael G.; Hogarth, Graeme","Hydrogenase biomimics containing redox-active ligands: Fe<sub>2</sub>(CO)<sub>4</sub>(μ-edt)(κ<sup>2</sup>-bpcd) with electron-acceptor 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd) as a potential [Fe<sub>4</sub>-S<sub>4</sub>]<sub>H</sub> surrogate.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6051","6060","10.1039/c8dt04906h","","","0.6889","Synchrotron","","0.0622","0.0448","","","0.1063","0.1148","","","","","","1.032","","","","has coordinates","224415","2020-10-21","18:00:00",""
"7048824","9.8816","0.0002","10.5121","0.0003","12.2372","0.0003","85.493","0.002","77.295","0.002","68.969","0.003","1157.43","0.06","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl N2 O Sb Si2 -","- C20 H30 Cl N2 O Sb Si2 -","- C40 H60 Cl2 N4 O2 Sb2 Si4 -","2","1","","Schwamm, Ryan J.; Edwards, Alison J.; Fitchett, Christopher M.; Coles, Martyn P.","A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2953","2958","10.1039/c8dt05113e","","x-ray","0.71073","MoKα","","0.0422","0.0361","","","0.0758","0.0806","","","","","","1.001","","","","has coordinates","224315","2020-10-21","18:00:00",""
"7048825","7.6028","0.0005","11.5896","0.0008","13.802","0.0007","99.459","0.005","100.012","0.005","107.557","0.006","1110.98","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 N2 O Sb Si2 -","- C20 H31 N2 O Sb Si2 -","- C40 H62 N4 O2 Sb2 Si4 -","2","1","","Schwamm, Ryan J.; Edwards, Alison J.; Fitchett, Christopher M.; Coles, Martyn P.","A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2953","2958","10.1039/c8dt05113e","","x-ray","0.71073","MoKα","","0.0344","0.0308","","","0.0652","0.0673","","","","","","1.027","","","","has coordinates","224315","2020-10-21","18:00:00",""
"7048826","7.6028","0.0005","11.5896","0.0008","13.802","0.0007","99.459","0.005","100.012","0.005","107.557","0.006","1110.98","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 N2 O Sb Si2 -","- C20 H31 N2 O Sb Si2 -","- C40 H62 N4 O2 Sb2 Si4 -","2","1","","Schwamm, Ryan J.; Edwards, Alison J.; Fitchett, Christopher M.; Coles, Martyn P.","A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2953","2958","10.1039/c8dt05113e","","neutron","0.85","neutron","","0.1572","0.0677","","0.1429","0.0624","0.0537","","","","","","1.4721","","","","has coordinates","224315","2020-10-21","18:00:00",""
"7048827","12.3588","0.0002","16.881","0.0004","17.0204","0.0004","73.916","0.002","84.828","0.0016","85.4219","0.0016","3392.47","0.13","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H108 N4 O2 Sb2 Si4 -","- C62 H108 N4 O2 Sb2 Si4 -","- C124 H216 N8 O4 Sb4 Si8 -","2","1","","Schwamm, Ryan J.; Edwards, Alison J.; Fitchett, Christopher M.; Coles, Martyn P.","A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2953","2958","10.1039/c8dt05113e","","x-ray","0.71073","MoKα","","0.0382","0.0302","","","0.0649","0.0685","","","","","","1.05","","","","has coordinates,has disorder","224315","2020-10-21","18:00:00",""
"7048828","9.43069","0.00012","22.2904","0.0003","23.4692","0.0003","102.917","0.001","99.8049","0.001","96.059","0.001","4685.18","0.11","286.04","0.1","286.04","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 Cl N2 O Sb Si2 -","- C28 H46 Cl N2 O Sb Si2 -","- C168 H276 Cl6 N12 O6 Sb6 Si12 -","6","3","","Schwamm, Ryan J.; Edwards, Alison J.; Fitchett, Christopher M.; Coles, Martyn P.","A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2953","2958","10.1039/c8dt05113e","","x-ray","0.71073","MoKα","","0.0478","0.0328","","","0.0692","0.0758","","","","","","1.081","","","","has coordinates","224315","2020-10-21","18:00:00",""
"7048829","15.442","0.004","15.608","0.004","18.615","0.004","70.259","0.002","82.278","0.002","90.156","0.002","4179","1.8","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H144 Au18 Cl7 F6 P13 -","- C162 H144 Au18 Cl7 F6 P13 -","- C162 H144 Au18 Cl7 F6 P13 -","1","0.5","","Zhang, Shan-Shan; Senanayake, Ravithree D.; Zhao, Quan-Qin; Su, Hai-Feng; Aikens, Christine M.; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","[Au<sub>18</sub>(dppm)<sub>6</sub>Cl<sub>4</sub>]<sup>4+</sup>: a phosphine-protected gold nanocluster with rich charge states.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3635","3640","10.1039/c9dt00042a","","","0.71073","MoKα","","0.1272","0.0761","","","0.1998","0.2566","","","","","","1.014","","","","has coordinates","224544","2020-10-21","18:00:00",""
"7048830","24.9074","0.0007","5.97709","0.00017","23.3822","0.0007","90","","105.949","0.003","90","","3347","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 N -","- C45 H37 N -","- C180 H148 N4 -","4","1","","Żak, Patrycja; Bołt, Małgorzata; Dudziec, Beata; Kubicki, Maciej","Synthesis of (E)-1,4-disilsesquioxylsubstituted but-1-en-3-ynes via platinum-catalyzed dimerization of ethynylsiloxysilsesquioxanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2657","2663","10.1039/c8dt05142a","","x-ray","0.71073","MoKα","","0.0666","0.0453","","","0.1062","0.1165","","","","","","1.05","","","","has coordinates","223964","2020-10-21","18:00:00",""
"7048831","9.659","0.0002","18.2142","0.0004","20.0321","0.0004","90","","97.331","0.002","90","","3495.46","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C92 H72 N2 -","- C92 H72 N2 -","- C184 H144 N4 -","2","0.5","","Żak, Patrycja; Bołt, Małgorzata; Dudziec, Beata; Kubicki, Maciej","Synthesis of (E)-1,4-disilsesquioxylsubstituted but-1-en-3-ynes via platinum-catalyzed dimerization of ethynylsiloxysilsesquioxanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2657","2663","10.1039/c8dt05142a","","x-ray","0.71073","MoKα","","0.0694","0.0456","","","0.1052","0.1185","","","","","","1.029","","","","has coordinates","223964","2020-10-21","18:00:00",""
"7048832","15.0517","0.0003","26.586","0.0005","19.6409","0.0004","90","","92.6396","0.0017","90","","7851.3","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H90 N2 O Pt Si2 -","- C101 H90 N2 O Pt Si2 -","- C404 H360 N8 O4 Pt4 Si8 -","4","1","","Żak, Patrycja; Bołt, Małgorzata; Dudziec, Beata; Kubicki, Maciej","Synthesis of (E)-1,4-disilsesquioxylsubstituted but-1-en-3-ynes via platinum-catalyzed dimerization of ethynylsiloxysilsesquioxanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2657","2663","10.1039/c8dt05142a","","x-ray","0.71073","MoKα","","0.0469","0.0316","","","0.0613","0.0671","","","","","","1.034","","","","has coordinates","223964","2020-10-21","18:00:00",""
"7048833","11.1851","0.0002","13.2033","0.0003","14.842","0.0004","77.084","0.001","71.312","0.001","66.439","0.002","1891.68","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 N4 P2 Ru S2 -","- C44 H36 N4 P2 Ru S2 -","- C88 H72 N8 P4 Ru2 S4 -","2","1","","Velozo-Sá, Vivianne S; Pereira, Luciano R.; Lima, Aliny P.; Mello-Andrade, Francyelli; Rezende, Manuela R. M.; Goveia, Rebeca M.; Pires, Wanessa C.; Silva, Monize M.; Oliveira, Katia M.; Ferreira, Antonio G.; Ellena, Javier; Deflon, Victor M.; Grisolia, Cesar Koppe; Batista, Alzir A.; Silveira-Lacerda, Elisângela P","In vitro cytotoxicity and in vivo zebrafish toxicity evaluation of Ru(ii)/2-mercaptopyrimidine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6026","6039","10.1039/c8dt03738h","","x-ray","0.71073","MoKα","","0.0941","0.0479","","","0.1047","0.1254","","","","","","1.035","","","","has coordinates","224405","2020-10-21","18:00:00",""
"7048834","11.1616","0.0004","11.3093","0.0004","14.4332","0.0004","90.587","0.001","104.741","0.001","111.151","0.001","1632.68","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 N4 P2 Ru S2 -","- C35 H32 N4 P2 Ru S2 -","- C70 H64 N8 P4 Ru2 S4 -","2","1","","Velozo-Sá, Vivianne S; Pereira, Luciano R.; Lima, Aliny P.; Mello-Andrade, Francyelli; Rezende, Manuela R. M.; Goveia, Rebeca M.; Pires, Wanessa C.; Silva, Monize M.; Oliveira, Katia M.; Ferreira, Antonio G.; Ellena, Javier; Deflon, Victor M.; Grisolia, Cesar Koppe; Batista, Alzir A.; Silveira-Lacerda, Elisângela P","In vitro cytotoxicity and in vivo zebrafish toxicity evaluation of Ru(ii)/2-mercaptopyrimidine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6026","6039","10.1039/c8dt03738h","","","0.71073","MoKα","","0.0358","0.0303","","","0.0733","0.077","","","","","","1.067","","","","has coordinates","224405","2020-10-21","18:00:00",""
"7048835","21.538","0.001","11.555","0.001","22.094","0.001","90","","110.008","0.004","90","","5166.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Cl N2 P4 Ru S -","- C54 H47 Cl N2 P4 Ru S -","- C216 H188 Cl4 N8 P16 Ru4 S4 -","4","1","","Velozo-Sá, Vivianne S; Pereira, Luciano R.; Lima, Aliny P.; Mello-Andrade, Francyelli; Rezende, Manuela R. M.; Goveia, Rebeca M.; Pires, Wanessa C.; Silva, Monize M.; Oliveira, Katia M.; Ferreira, Antonio G.; Ellena, Javier; Deflon, Victor M.; Grisolia, Cesar Koppe; Batista, Alzir A.; Silveira-Lacerda, Elisângela P","In vitro cytotoxicity and in vivo zebrafish toxicity evaluation of Ru(ii)/2-mercaptopyrimidine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6026","6039","10.1039/c8dt03738h","","x-ray","0.71073","MoKα","","0.1182","0.0696","","","0.1698","0.1939","","","","","","1.037","","","","has coordinates","224405","2020-10-21","18:00:00",""
"7048836","13.979","0.0004","20.091","0.001","21.149","0.001","90","","92.913","0.002","90","","5932.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H51 F6 N2 P5 Ru S -","- C56 H51 F6 N2 P5 Ru S -","- C224 H204 F24 N8 P20 Ru4 S4 -","4","1","","Velozo-Sá, Vivianne S; Pereira, Luciano R.; Lima, Aliny P.; Mello-Andrade, Francyelli; Rezende, Manuela R. M.; Goveia, Rebeca M.; Pires, Wanessa C.; Silva, Monize M.; Oliveira, Katia M.; Ferreira, Antonio G.; Ellena, Javier; Deflon, Victor M.; Grisolia, Cesar Koppe; Batista, Alzir A.; Silveira-Lacerda, Elisângela P","In vitro cytotoxicity and in vivo zebrafish toxicity evaluation of Ru(ii)/2-mercaptopyrimidine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6026","6039","10.1039/c8dt03738h","","x-ray","0.71073","MoKα","","0.1495","0.1189","","","0.3187","0.3326","","","","","","1.018","","","","has coordinates","224405","2020-10-21","18:00:00",""
"7048837","6.9831","0.001","14.1056","0.0019","7.0752","0.0009","90","","115.325","0.004","90","","629.94","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cerium molybdate iodate","","","- Ce I4 Mo O15 -","- Ce I4 Mo O15 -","- Ce2 I8 Mo2 O30 -","2","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0256","0.0254","","","0.0617","0.0618","","","","","","1.113","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048838","6.9871","0.0012","14.114","0.002","7.0873","0.0012","90","","115.065","0.004","90","","633.1","0.18","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Praseodymium molybdate iodate","","","- I4 Mo O15 Pr -","- I4 Mo O15 Pr -","- I8 Mo2 O30 Pr2 -","2","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0178","0.0175","","","0.0412","0.0413","","","","","","1.11","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048839","7.5995","0.0012","11.3847","0.0018","11.33","0.0019","90","","92.142","0.004","90","","979.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Terbium molybdate iodate","","","- I Mo2 O12 Tb -","- I Mo2 O12 Tb -","- I4 Mo8 O48 Tb4 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0333","0.0319","","","0.111","0.1143","","","","","","1.216","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048840","7.5804","0.0004","11.3583","0.0006","11.2975","0.0006","90","","92.2852","0.0017","90","","971.95","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dysprosium molybdate iodate","","","- Dy I Mo2 O12 -","- Dy I Mo2 O12 -","- Dy4 I4 Mo8 O48 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0284","0.0219","","","0.0474","0.0489","","","","","","1.129","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048841","7.5242","0.0016","11.321","0.002","11.203","0.002","90","","92.308","0.007","90","","953.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ytterbium molybdate iodate","","","- I Mo2 O12 Yb -","- I Mo2 O12 Yb -","- I4 Mo8 O48 Yb4 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0436","0.0329","","","0.0959","0.1056","","","","","","1.118","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048842","7.5554","0.0004","11.3436","0.0006","11.2689","0.0006","90","","92.2717","0.0015","90","","965.05","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Holmium molybdate iodate","","","- Ho I Mo2 O12 -","- Ho I Mo2 O12 -","- Ho4 I4 Mo8 O48 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0168","0.015","","","0.0324","0.0328","","","","","","1.106","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048843","7.261","0.003","8.769","0.004","21.82","0.008","90","","90","","90","","1389.3","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Thorium molybdate iodate","","","- F I Mo O7 Th -","- F I Mo O7 Th -","- F8 I8 Mo8 O56 Th8 -","8","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0417","0.0343","","","0.0902","0.0928","","","","","","1.2","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048844","7.6068","0.001","11.3865","0.0015","11.3561","0.0015","90","","92.129","0.003","90","","982.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Gadolinium molybdate iodate","","","- Gd I Mo2 O12 -","- Gd I Mo2 O12 -","- Gd4 I4 Mo8 O48 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0431","0.0387","","","0.1136","0.129","","","","","","1.452","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048845","7.5639","0.0006","11.3372","0.0009","11.2573","0.001","90","","92.219","0.002","90","","964.63","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Yttrium molybdate iodate","","","- I Mo2 O12 Y -","- I Mo2 O12 Y -","- I4 Mo8 O48 Y4 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0213","0.0201","","","0.0464","0.0467","","","","","","1.137","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048846","7.5508","0.0004","11.3352","0.0006","11.2366","0.0006","90","","92.3336","0.0016","90","","960.94","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Erbium molybdate iodate","","","- Er I Mo2 O12 -","- Er I Mo2 O12 -","- Er4 I4 Mo8 O48 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0184","0.0165","","","0.0372","0.0378","","","","","","1.164","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048847","7.536","0.0006","11.322","0.0009","11.1946","0.0009","90","","92.284","0.002","90","","954.39","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thulium molybdate iodate","","","- I Mo2 O12 Tm -","- I Mo2 O12 Tm -","- I4 Mo8 O48 Tm4 -","4","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0171","0.0161","","","0.0387","0.039","","","","","","1.156","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048848","9.2912","0.0005","6.0861","0.0003","8.3411","0.0005","90","","102.492","0.003","90","","460.5","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 B N -","- C12 H10 B N -","- C24 H20 B2 N2 -","2","0.5","","Ishibashi, Jacob S. A.; Darrigan, Clovis; Chrostowska, Anna; Li, Bo; Liu, Shih-Yuan","A BN anthracene mimics the electronic structure of more highly conjugated systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2807","2812","10.1039/c9dt00481e","","","1.54178","CuKα","","0.0398","0.0379","","","0.1028","0.1048","","","","","","1.089","","","","has coordinates,has disorder","223959","2020-10-21","18:00:00",""
"7048849","8.866","0.0006","9.3604","0.0007","11.0495","0.0008","82.031","0.002","82.674","0.002","66.299","0.002","828.93","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","2","","Ishibashi, Jacob S. A.; Darrigan, Clovis; Chrostowska, Anna; Li, Bo; Liu, Shih-Yuan","A BN anthracene mimics the electronic structure of more highly conjugated systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2807","2812","10.1039/c9dt00481e","","","0.71073","MoKα","","0.0492","0.0431","","","0.1179","0.1231","","","","","","1.032","","","","has coordinates","223959","2020-10-21","18:00:00",""
"7048850","15.671","0.003","15.668","0.003","16.235","0.004","108.514","0.003","93.226","0.003","94.916","0.003","3751.3","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H75 B Cl9 N2 O3 P2 Rh -","- C76 H62 B N2 O2 P2 Rh -","- C152 H124 B2 N4 O4 P4 Rh2 -","2","1","","Azpeitia, Susan; Barquín, Montserrat; Mendicute-Fierro, Claudio; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, Jose M.; San Sebastian, Eider; Ibarlucea, Lourdes; Garralda, María A","(Diphenylphosphino)alkylaldehyde affords hydride- or alkyl-[(diphenylphosphino)alkylacyl]rhodium(iii) or (diphenylphosphino)alkylester complexes: theoretical and experimental diastereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3300","3313","10.1039/c8dt04929g","","","0.71069","MoKα","","0.0762","0.0545","","","0.1338","0.1478","","","","","","1.033","","","","has coordinates","223807","2020-10-21","18:00:00",""
"7048851","9.6045","0.001","12.0456","0.0012","13.9271","0.0014","64.448","0.001","72.559","0.001","75.993","0.001","1374.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O P Rh -","- C31 H28 Cl2 N2 O P Rh -","- C62 H56 Cl4 N4 O2 P2 Rh2 -","2","1","","Azpeitia, Susan; Barquín, Montserrat; Mendicute-Fierro, Claudio; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, Jose M.; San Sebastian, Eider; Ibarlucea, Lourdes; Garralda, María A","(Diphenylphosphino)alkylaldehyde affords hydride- or alkyl-[(diphenylphosphino)alkylacyl]rhodium(iii) or (diphenylphosphino)alkylester complexes: theoretical and experimental diastereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3300","3313","10.1039/c8dt04929g","","","0.71073","MoKα","","0.0389","0.0334","","","0.0885","0.0946","","","","","","0.742","","","","has coordinates","223807","2020-10-21","18:00:00",""
"7048852","10.685","0.003","29.093","0.003","20.488","0.004","90","","111.271","0.015","90","","5935","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 B F4 N2 O3 P2 Rh -","- C49 H40 B F4 N2 O P2 Rh -","- C196 H160 B4 F16 N8 O4 P8 Rh4 -","4","1","","Azpeitia, Susan; Barquín, Montserrat; Mendicute-Fierro, Claudio; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, Jose M.; San Sebastian, Eider; Ibarlucea, Lourdes; Garralda, María A","(Diphenylphosphino)alkylaldehyde affords hydride- or alkyl-[(diphenylphosphino)alkylacyl]rhodium(iii) or (diphenylphosphino)alkylester complexes: theoretical and experimental diastereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3300","3313","10.1039/c8dt04929g","","","0.71069","MoKα","","0.081","0.077","","","0.1788","0.1812","","","","","","1.19","","","","has coordinates","223807","2020-10-21","18:00:00",""
"7048853","9.9698","0.0007","17.4017","0.0012","21.2563","0.0014","90","","92.159","0.008","90","","3685.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Cl N O4 P Rh -","- C43 H44 Cl N O4 P Rh -","- C172 H176 Cl4 N4 O16 P4 Rh4 -","4","1","","Azpeitia, Susan; Barquín, Montserrat; Mendicute-Fierro, Claudio; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, Jose M.; San Sebastian, Eider; Ibarlucea, Lourdes; Garralda, María A","(Diphenylphosphino)alkylaldehyde affords hydride- or alkyl-[(diphenylphosphino)alkylacyl]rhodium(iii) or (diphenylphosphino)alkylester complexes: theoretical and experimental diastereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3300","3313","10.1039/c8dt04929g","","","0.71069","MoKα","","0.0446","0.0365","","","0.0923","0.0977","","","","","","1.041","","","","has coordinates","223807","2020-10-21","18:00:00",""
"7048854","10.8421","0.0017","9.8845","0.0012","34.895","0.002","90","","92.883","0.003","90","","3734.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Cl3 N2 O2 P Rh -","- C39 H37 Cl3 N2 O P Rh -","- C156 H148 Cl12 N8 O4 P4 Rh4 -","4","1","","Azpeitia, Susan; Barquín, Montserrat; Mendicute-Fierro, Claudio; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, Jose M.; San Sebastian, Eider; Ibarlucea, Lourdes; Garralda, María A","(Diphenylphosphino)alkylaldehyde affords hydride- or alkyl-[(diphenylphosphino)alkylacyl]rhodium(iii) or (diphenylphosphino)alkylester complexes: theoretical and experimental diastereoselectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3300","3313","10.1039/c8dt04929g","","","0.71069","MoKα","","0.0876","0.0535","","","0.1265","0.1477","","","","","","1.108","","","","has coordinates","223807","2020-10-21","18:00:00",""
"7048855","9.8734","0.001","11.6662","0.0012","12.3849","0.0012","70.703","0.003","81.836","0.003","74.313","0.003","1294.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Au2 Cl2 N2 P4 -","- C60 H50 Au2 Cl2 N2 P4 -","- C60 H50 Au2 Cl2 N2 P4 -","1","0.5","","Kathewad, Neha; Kumar, Nandha; Dasgupta, Rajarshi; Ghosh, Moushakhi; Pal, Shiv; Khan, Shabana","The syntheses and photophysical properties of PNP-based Au(i) complexes with strong intramolecular AuAu interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7274","7280","10.1039/c8dt04471f","","","0.71073","MoKα","","0.0255","0.0179","","","0.0354","0.0374","","","","","","1.044","","","","has coordinates","224457","2020-10-21","18:00:00",""
"7048856","10.7487","0.0019","13.558","0.002","19.785","0.004","96.481","0.004","99.229","0.004","96.747","0.004","2800.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Au Cl N P2 -","- C32 H29 Au Cl N P2 -","- C128 H116 Au4 Cl4 N4 P8 -","4","2","","Kathewad, Neha; Kumar, Nandha; Dasgupta, Rajarshi; Ghosh, Moushakhi; Pal, Shiv; Khan, Shabana","The syntheses and photophysical properties of PNP-based Au(i) complexes with strong intramolecular AuAu interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7274","7280","10.1039/c8dt04471f","","","0.71073","MoKα","","0.0334","0.0246","","","0.0521","0.0551","","","","","","1.028","","","","has coordinates","224457","2020-10-21","18:00:00",""
"7048857","13.516","0.004","13.53","0.004","18.73","0.006","90","","95.971","0.008","90","","3406.6","1.8","150","2","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H62 Au2 Cl4 F12 N2 P4 Sb2 -","- C66 H62 Au2 Cl4 F12 N2 P4 Sb2 -","- C132 H124 Au4 Cl8 F24 N4 P8 Sb4 -","2","0.5","","Kathewad, Neha; Kumar, Nandha; Dasgupta, Rajarshi; Ghosh, Moushakhi; Pal, Shiv; Khan, Shabana","The syntheses and photophysical properties of PNP-based Au(i) complexes with strong intramolecular AuAu interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7274","7280","10.1039/c8dt04471f","","","0.71073","MoKα","","0.0292","0.0256","","","0.0617","0.0639","","","","","","1.032","","","","has coordinates,has disorder","224457","2020-10-21","18:00:00",""
"7048858","9.758","0.002","9.758","0.002","26.267","0.009","90","","90","","120","","2166","1","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H54 Cl3 N9 O14 Zn2 -","- C36 H54 Cl3 N9.0002 O14.0006 Zn2 -","- C72 H108 Cl6 N18.0004 O28.0012 Zn4 -","2","0.166667","","Chattopadhyay, Taraknath; B S, Anju; Gupta, Shourya; S, Ananya; Bertke, Jeffery A.; Kundu, Subrata","NO<sub>x</sub><sup>-</sup> anion recognition by bimetallic cryptates: selectivity for nitrite over nitrate.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7085","7089","10.1039/c8dt04971h","","","0.71073","MoKα","","0.1033","0.0961","","","0.2457","0.2518","","","","","","1.224","","","","has coordinates,has disorder","224442","2020-10-21","18:00:00",""
"7048859","9.9795","0.0005","9.9795","0.0005","25.6934","0.0012","90","","90","","120","","2216","0.19","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C36 H54 Cl3 Cu2 N9 O14 -","- C36 H54 Cl3 Cu2 N9.0002 O14.0006 -","- C72 H108 Cl6 Cu4 N18.0004 O28.0012 -","2","0.166667","","Chattopadhyay, Taraknath; B S, Anju; Gupta, Shourya; S, Ananya; Bertke, Jeffery A.; Kundu, Subrata","NO<sub>x</sub><sup>-</sup> anion recognition by bimetallic cryptates: selectivity for nitrite over nitrate.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7085","7089","10.1039/c8dt04971h","","","0.71073","MoKα","","0.0676","0.0558","","","0.1638","0.1748","","","","","","1.158","","","","has coordinates,has disorder","224442","2020-10-21","18:00:00",""
"7048860","13.1705","0.0009","13.1705","0.0009","19.6437","0.0014","90","","90","","90","","3407.4","0.4","120","2","120","2","","","","","","","","5","I -4","I -4","82","","","","- C62.8 H57.6 Cu4 N32 O8.8 -","- C62.8 H52 Cu4 N32 O8.8 -","- C125.6 H104 Cu8 N64 O17.6 -","2","0.25","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Shul'gin, Victor; Ryush, Irina; Kiskin, Michail; Efimov, Nickolay; Ugolkova, Elena; Minin, Vadim; Lyssenko, Konstantin; Eremenko, Igor; Linert, Wolfgang","Copper(ii) self-assembled clusters of bis((pyridin-2-yl)-1,2,4-triazol-3-yl)alkanes. Unusual rearrangement of ligands under reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3052","3060","10.1039/c8dt04816a","","","0.71073","MoKα","","0.0483","0.0371","","","0.0895","0.0939","","","","","","1.058","","","","has coordinates","224324","2020-10-21","18:00:00",""
"7048861","13.099","0.0011","11.697","0.0007","14.5274","0.0012","90","","112.745","0.01","90","","2052.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 Cu N8 O8 -","- C16 H14 Cl2 Cu N8 O8 -","- C64 H56 Cl8 Cu4 N32 O32 -","4","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Shul'gin, Victor; Ryush, Irina; Kiskin, Michail; Efimov, Nickolay; Ugolkova, Elena; Minin, Vadim; Lyssenko, Konstantin; Eremenko, Igor; Linert, Wolfgang","Copper(ii) self-assembled clusters of bis((pyridin-2-yl)-1,2,4-triazol-3-yl)alkanes. Unusual rearrangement of ligands under reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3052","3060","10.1039/c8dt04816a","","","0.71073","MoKα","","0.0294","0.025","","","0.0683","0.0695","","","","","","1.084","","","","has coordinates","224324","2020-10-21","18:00:00",""
"7048862","19.725","0.003","18.998","0.003","12.833","0.002","90","","95.971","0.005","90","","4782.9","1.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H50 Cl4 Cu2 N16 O6.5 -","- C36 H48 Cl4 Cu2 N16 O6 -","- C144 H192 Cl16 Cu8 N64 O24 -","4","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Shul'gin, Victor; Ryush, Irina; Kiskin, Michail; Efimov, Nickolay; Ugolkova, Elena; Minin, Vadim; Lyssenko, Konstantin; Eremenko, Igor; Linert, Wolfgang","Copper(ii) self-assembled clusters of bis((pyridin-2-yl)-1,2,4-triazol-3-yl)alkanes. Unusual rearrangement of ligands under reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3052","3060","10.1039/c8dt04816a","","","0.71073","MoKα","","0.0839","0.0531","","","0.1323","0.1544","","","","","","1.017","","","","has coordinates,has disorder","224324","2020-10-21","18:00:00",""
"7048863","15.506","0.003","16.16","0.003","20.311","0.004","86.84","0.003","89.884","0.003","61.689","0.003","4472.2","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H70 Cl Cu3 N30 Na2 O16 -","- C72 H66 Cl Cu3 N30 Na2 O16 -","- C144 H132 Cl2 Cu6 N60 Na4 O32 -","2","1","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Shul'gin, Victor; Ryush, Irina; Kiskin, Michail; Efimov, Nickolay; Ugolkova, Elena; Minin, Vadim; Lyssenko, Konstantin; Eremenko, Igor; Linert, Wolfgang","Copper(ii) self-assembled clusters of bis((pyridin-2-yl)-1,2,4-triazol-3-yl)alkanes. Unusual rearrangement of ligands under reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3052","3060","10.1039/c8dt04816a","","","0.71073","MoKα","","0.2127","0.0658","","","0.1142","0.1459","","","","","","0.713","","","","has coordinates,has disorder","224324","2020-10-21","18:00:00",""
"7048864","12.0146","0.0001","20.539","0.0002","14.3234","0.0002","90","","100.388","0.001","90","","3476.62","0.07","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H100 Mg2 N4 S2 -","- C66 H100 Mg2 N4 S2 -","- C132 H200 Mg4 N8 S4 -","2","0.5","","Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing","Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3109","3115","10.1039/c9dt00090a","","","1.54184","CuKα","","0.0491","0.0418","","","0.1095","0.1154","","","","","","1.054","","","","has coordinates","224326","2020-10-21","18:00:00",""
"7048865","8.9221","0.0002","10.135","0.0002","23.6908","0.0005","100.865","0.002","95.075","0.002","101.435","0.002","2044.39","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H65 Mg N3 O2 -","- C44 H65 Mg N3 O2 -","- C88 H130 Mg2 N6 O4 -","2","1","","Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing","Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3109","3115","10.1039/c9dt00090a","","x-ray","1.54184","CuKα","","0.0474","0.0443","","","0.1224","0.1255","","","","","","1.042","","","","has coordinates","224326","2020-10-21","18:00:00",""
"7048866","9.3835","0.0003","12.6275","0.0003","15.4945","0.0005","86.019","0.002","80.49","0.002","84.668","0.002","1800.14","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 Mg N2 O Se -","- C37 H58 Mg N2 O Se -","- C74 H116 Mg2 N4 O2 Se2 -","2","1","","Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing","Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3109","3115","10.1039/c9dt00090a","","","0.71073","MoKα","","0.0508","0.0395","","","0.0912","0.0966","","","","","","1.029","","","","has coordinates","224326","2020-10-21","18:00:00",""
"7048867","23.051","0.0005","10.0565","0.0002","16.8071","0.0004","90","","108.036","0.003","90","","3704.65","0.15","150","10","150","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55.92 Mg N2 O Se2 -","- C37 H55.92 Mg N2 O Se2 -","- C148 H223.68 Mg4 N8 O4 Se8 -","4","1","","Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing","Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3109","3115","10.1039/c9dt00090a","","","1.54178","CuKα","","0.0503","0.0434","","","0.1114","0.116","","","","","","1.039","","","","has coordinates,has disorder","224326","2020-10-21","18:00:00",""
"7048868","21.2566","0.0002","17.0216","0.0002","13.6278","0.0002","90","","105.952","0.001","90","","4740.95","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58.67 Mg N4 S2 -","- C46.9999 H58.6663 Mg N4 S2 -","- C188 H234.665 Mg4 N16 S8 -","4","1","","Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing","Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3109","3115","10.1039/c9dt00090a","","","1.54184","CuKα","","0.0767","0.0567","","","0.1491","0.1575","","","","","","1.047","","","","has coordinates,has disorder","224326","2020-10-21","18:00:00",""
"7048869","13.3001","0.0005","14.3346","0.0005","21.0947","0.0008","72.837","0.003","75.308","0.003","63.308","0.004","3398.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H100 Mg2 N8 -","- C73 H100 Mg2 N8 -","- C146 H200 Mg4 N16 -","2","1","","Ren, Wenshan; Zhang, Shaohui; Xu, Ziyi; Ma, Xuebing","Reactivity of a β-diketiminate-supported magnesium alkyl complex toward small molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3109","3115","10.1039/c9dt00090a","","x-ray","1.54184","CuKα","","0.0432","0.0395","","","0.1047","0.1084","","","","","","1.02","","","","has coordinates","224326","2020-10-21","18:00:00",""
"7048870","21.7038","0.0018","24.446","0.002","28.467","0.003","90","","109.836","0.001","90","","14208","2","100","2","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H168 Co6 Mo10 N6 O58 P6 -","- C90 H168 Co6 Mo10 N6 O58 P6 -","- C360 H672 Co24 Mo40 N24 O232 P24 -","4","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.1086","0.0615","","","0.1584","0.1956","","","","","","1.079","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048871","22.2697","0.0015","24.3823","0.0017","28.6485","0.0018","90","","110.017","0.0017","90","","14616.1","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H176 Co6 Mo10 N6 O58 P6 -","- C98 H176 Co6 Mo10 N6 O58 P6 -","- C392 H704 Co24 Mo40 N24 O232 P24 -","4","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0906","0.0563","","","0.1383","0.1627","","","","","","1.086","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048872","13.75","0.0004","16.8554","0.0005","17.1095","0.0005","107.632","0.001","95.012","0.001","101.664","0.001","3653.8","0.19","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H87.25 Co3 Mo5 N5.75 O29 P3 -","- C45.5 H89.25 Co3 Mo5 N5.75 O29 P3 -","- C91 H178.5 Co6 Mo10 N11.5 O58 P6 -","2","1","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.115","0.0544","","","0.0903","0.1056","","","","","","1.002","","","","has coordinates","224317","2020-10-21","18:00:00",""
"7048873","13.9147","0.0006","17.0418","0.0007","17.3781","0.0007","74.837","0.001","80.331","0.001","83.527","0.002","3910.7","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C92.8 H185.2 Co6 Mo10 N10.4 O58 P6 -","- C92.8 H185.2 Co6 Mo10 N10.4 O58 P6 -","- C92.8 H185.2 Co6 Mo10 N10.4 O58 P6 -","1","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0841","0.046","","","0.1089","0.132","","","","","","1.093","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048874","15.6966","0.0007","19.558","0.0009","23.4785","0.001","90","","97.587","0.002","90","","7144.7","0.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H171.69 Co6 Mo10 N7.5 O58 P6 -","- C89 H171.694 Co6 Mo10 N7.5 O58 P6 -","- C178 H343.388 Co12 Mo20 N15 O116 P12 -","2","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0836","0.0514","","","0.1041","0.1185","","","","","","1.193","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048875","14.9997","0.0004","25.6304","0.0007","17.4332","0.0005","90","","96.0101","0.0011","90","","6665.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H163 Co6 Mo10 N7 O58 P6 -","- C76 H163 Co6 Mo10 N7 O58 P6 -","- C152 H326 Co12 Mo20 N14 O116 P12 -","2","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0483","0.0302","","","0.0731","0.0779","","","","","","1.006","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048876","16.9115","0.0008","17.8098","0.0009","18.2776","0.0009","65.269","0.001","64.072","0.001","84.863","0.001","4467.4","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C136 H130 Co6 Mo10 N10 O58 P6 -","- C136 H130 Co6 Mo10 N10 O58 P6 -","- C136 H130 Co6 Mo10 N10 O58 P6 -","1","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0986","0.0622","","","0.1622","0.1969","","","","","","1.022","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048877","29.7884","0.0013","28.1953","0.0012","19.9483","0.0008","90","","91.463","0.001","90","","16749","1.2","100","2","100.01","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C240 H354 Co12 Mo20 N12 O116 P12 -","- C240 H392 Co12 Mo20 N12 O116 P12 -","- C480 H784 Co24 Mo40 N24 O232 P24 -","2","0.25","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.1279","0.0698","","","0.1668","0.2192","","","","","","1.068","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048878","17.7506","0.0007","18.8983","0.0008","27.1892","0.0012","75.835","0.001","80.882","0.001","72.521","0.001","8399.5","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C133 H203 Co6 Mo10 N10 O58 P6 -","- C133 H203 Co6 Mo10 N10 O58 P6 -","- C266 H406 Co12 Mo20 N20 O116 P12 -","2","1","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0883","0.0439","","","0.0957","0.116","","","","","","1.009","","","","has coordinates","224317","2020-10-21","18:00:00",""
"7048879","17.6667","0.0008","25.3666","0.0012","20.0291","0.0009","90","","107.672","0.001","90","","8552.3","0.7","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C125 H218.5 Co6 Mo10 N13.5 O58 P6 -","- C125 H218.5 Co6 Mo10 N13.5 O58 P6 -","- C250 H437 Co12 Mo20 N27 O116 P12 -","2","0.5","","Healy, Colm; Steuber, Friedrich W.; Wix, Paul; Macreadie, Lauren K.; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Assembly, disassembly and reassembly: a ""top-down"" synthetic strategy towards hybrid, mixed-metal {Mo<sub>10</sub>Co<sub>6</sub>} POM clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3018","3027","10.1039/c9dt00075e","","","0.71073","MoKα","","0.0817","0.0356","","","0.0643","0.073","","","","","","0.889","","","","has coordinates,has disorder","224317","2020-10-21","18:00:00",""
"7048880","31.8358","0.0009","16.2318","0.0006","24.15","0.0013","90","","121.038","0.001","90","","10692.8","0.8","20","2","20","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 B2 F8 Fe N10 O4 -","- C52 H52 B2 F8 Fe N10 O4 -","- C416 H416 B16 F64 Fe8 N80 O32 -","8","1","","Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3231","3236","10.1039/c9dt00204a","","","1","synchrotron","","0.137","0.1007","","","0.2814","0.3069","","","","","","1.092","","","","has coordinates,has disorder","223808","2020-10-21","18:00:00",""
"7048881","32.019","0.003","16.3126","0.0014","24.246","0.002","90","","121.207","0.001","90","","10831.5","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 B2 F8 Fe N10 O3 -","- C52 H52 B2 F8 Fe N10 O4 -","- C416 H416 B16 F64 Fe8 N80 O32 -","8","1","","Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3231","3236","10.1039/c9dt00204a","","","0.71073","MoKα","","0.1497","0.0858","","","0.2272","0.2795","","","","","","1.022","","","","has coordinates,has disorder","223808","2020-10-21","18:00:00",""
"7048882","32.372","0.012","16.452","0.006","24.557","0.016","90","","121.401","0.004","90","","11163","9","270","2","270","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 B2 F8 Fe N10 O3 -","- C52 H56 B2 F8 Fe N10 O3 -","- C416 H448 B16 F64 Fe8 N80 O24 -","8","1","","Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3231","3236","10.1039/c9dt00204a","","","0.71073","MoKα","","0.1386","0.0689","","","0.1892","0.235","","","","","","1.03","","","","has coordinates,has disorder","223808","2020-10-21","18:00:00",""
"7048883","12.496","0.01","12.836","0.01","17.661","0.014","85.769","0.008","73.318","0.011","84.14","0.011","2696","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.5 H56 B2 F8 Fe N10 O3.5 -","- C53.5 H56 B2 F8 Fe N10 O3.5 -","- C107 H112 B4 F16 Fe2 N20 O7 -","2","1","","Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3231","3236","10.1039/c9dt00204a","","","0.71073","MoKα","","0.1661","0.1244","","","0.3343","0.37","","","","","","1.069","","","","has coordinates,has disorder","223808","2020-10-21","18:00:00",""
"7048884","32.0647","0.0013","16.252","0.0005","24.1773","0.0017","90","","121.544","0.001","90","","10737.5","0.9","20","2","20","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 B2 F8 Fe N10 O4 -","- C52 H52 B2 F8 Fe N10 O4 -","- C416 H416 B16 F64 Fe8 N80 O32 -","8","1","","Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3231","3236","10.1039/c9dt00204a","","","1","synchrotron","","0.1542","0.1189","","","0.3245","0.3462","","","","","","1.219","","","","has coordinates,has disorder","223808","2020-10-21","18:00:00",""
"7048885","18.389","0.003","16.551","0.003","22.333","0.003","90","","112.772","0.002","90","","6267.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 B2 F8 Fe N10 O2 -","- C64 H78 B2 F8 Fe N10 O2 -","- C256 H312 B8 F32 Fe4 N40 O8 -","4","1","","Saiki, Ryo; Miyamoto, Haruka; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3231","3236","10.1039/c9dt00204a","","","0.71073","MoKα","","0.2093","0.1335","","","0.2993","0.3446","","","","","","1.252","","","","has coordinates,has disorder","223808","2020-10-21","18:00:00",""
"7048886","17.5574","0.0008","20.8944","0.0009","16.8168","0.0008","90","","90","","90","","6169.3","0.5","250","","250","","","","","","","","","5","P b c n","-P 2n 2ab","60","","InPF-50","","- C30 H18 In N O10.5 -","- C30 H23 In N O10.5 -","- C240 H184 In8 N8 O84 -","8","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina M; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Gándara, Felipe; Monge, M Ángeles","Anionic and neutral 2D indium metal-organic frameworks as catalysts for the Ugi one-pot multicomponent reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2988","2995","10.1039/c8dt04977g","","","1.54178","CuKα","","0.1008","0.0866","","","0.2445","0.2618","","","","","","1.158","","","","has coordinates,has disorder","224319","2020-10-21","18:00:00",""
"7048887","17.3589","0.0006","13.041","0.0006","25.9082","0.0009","90","","91.109","0.002","90","","5863.9","0.4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","InPF-51","InPF-51","","- C61 H52 Cl2 In2 N3 O13 -","- C61.0001 H52.0003 Cl2 In2 N3 O13 -","- C244 H208.001 Cl8 In8 N12 O52 -","4","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina M; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Gándara, Felipe; Monge, M Ángeles","Anionic and neutral 2D indium metal-organic frameworks as catalysts for the Ugi one-pot multicomponent reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2988","2995","10.1039/c8dt04977g","","","1.54178","CuKα","","0.0798","0.0671","","","0.1833","0.1953","","","","","","1.03","","","","has coordinates,has disorder","224319","2020-10-21","18:00:00",""
"7048888","13.79","0.003","10.428","0.002","18.95","0.005","90","","111.077","0.004","90","","2542.7","1","183","","183","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H70 Fe O4 Si8 -","- C34 H70 Fe O4 Si8 -","- C68 H140 Fe2 O8 Si16 -","2","0.5","","Arata, Shogo; Sunada, Yusuke","An isolable iron(ii) bis(supersilyl) complex as an effective catalyst for reduction reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2891","2895","10.1039/c9dt00116f","","","0.71075","MoKα","","0.0634","0.0513","","","0.1352","0.1458","","","","","","1.071","","","","has coordinates","224328","2020-10-21","18:00:00",""
"7048889","10.76","0.003","12.605","0.002","18.063","0.004","73.466","0.01","81.042","0.011","70.518","0.009","2209.1","0.9","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 Fe N2 Si8 -","- C28 H64 Fe N2 Si8 -","- C56 H128 Fe2 N4 Si16 -","2","1","","Arata, Shogo; Sunada, Yusuke","An isolable iron(ii) bis(supersilyl) complex as an effective catalyst for reduction reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2891","2895","10.1039/c9dt00116f","","","0.71075","MoKα","","0.0856","0.0495","","","0.0964","0.11","","","","","","1.04","","","","has coordinates","224328","2020-10-21","18:00:00",""
"7048890","10.6536","0.0009","22.3187","0.0017","17.0499","0.0012","90","","92.052","0.003","90","","4051.4","0.5","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Li(N3Dmp2)]","","","- C48 H50 Li N3 -","- C48 H50 Li N3 -","- C192 H200 Li4 N12 -","4","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.1","0.0589","","","0.1479","0.1724","","","","","","1.032","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048891","11.072","0.0004","15.5491","0.0005","12.1161","0.0005","90","","99.486","0.001","90","","2057.38","0.13","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","[Cs(N3Dmp2)]","","","- C48 H50 Cs N3 -","- C48 H50 Cs N3 -","- C96 H100 Cs2 N6 -","2","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0293","0.0279","","","0.0654","0.0662","","","","","","1.046","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048892","11.4916","0.0004","30.8596","0.0012","13.3457","0.0005","90","","110.931","0.002","90","","4420.4","0.3","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Li2(N3Dmp2)(n-Bu)]","","","- C52 H59 Li2 N3 -","- C52 H59 Li2 N3 -","- C208 H236 Li8 N12 -","4","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0936","0.0558","","","0.1299","0.1466","","","","","","1.021","","","","has coordinates,has disorder","224316","2020-10-21","18:00:00",""
"7048893","14.2522","0.0019","19.794","0.003","14.8684","0.0018","90","","109.082","0.006","90","","3964","0.9","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Na(N3Dmp2)]","","","- C48 H50 N3 Na -","- C48 H50 N3 Na -","- C192 H200 N12 Na4 -","4","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0977","0.0531","","","0.1352","0.16","","","","","","1.025","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048894","11.1579","0.0018","15.707","0.002","11.9335","0.0018","90","","100.237","0.007","90","","2058.1","0.5","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","[Rb(N3Dmp2)]","","","- C48 H50 N3 Rb -","- C48 H50 N3 Rb -","- C96 H100 N6 Rb2 -","2","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0704","0.0386","","","0.0633","0.0704","","","","","","0.924","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048895","10.6705","0.0004","15.6826","0.0008","12.3438","0.0007","90","","93.288","0.002","90","","2062.23","0.18","150","2","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","[K(N3Dmp)2]","","","- C48 H50 K N3 -","- C48 H50 K N3 -","- C96 H100 K2 N6 -","2","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0902","0.0551","","","0.1124","0.1286","","","","","","1.029","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048896","16.857","0.003","13.948","0.002","23.24","0.004","90","","108.738","0.009","90","","5174.6","1.5","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[K(N3Dmp2)(O2C4H10)].O2C4H10","","","- C56 H70 K N3 O4 -","- C56 H70 K N3 O4 -","- C224 H280 K4 N12 O16 -","4","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.127","0.0623","","","0.1496","0.1831","","","","","","1.054","","","","has coordinates","224316","2020-10-21","18:00:00",""
"7048897","11.925","0.0004","17.6801","0.0005","24.5702","0.0007","90","","97.213","0.001","90","","5139.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Li(N3Dmp2)(OC4H8)2].OC4H8","","","- C60 H74 Li N3 O3 -","- C60 H74 Li N3 O3 -","- C240 H296 Li4 N12 O12 -","4","1","","McKay, Alasdair I.; Cole, Marcus L.","Structural diversity in a homologous series of donor free alkali metal complexes bearing a sterically demanding triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2948","2952","10.1039/c8dt04983a","","","0.71073","MoKα","","0.0941","0.0546","","","0.1366","0.158","","","","","","1.027","","","","has coordinates,has disorder","224316","2020-10-21","18:00:00",""
"7048898","12.163","0.0003","23.7267","0.0004","29.4161","0.0005","90","","90.9225","0.0007","90","","8488","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H123 Cl3 Ge2 N6 O Rh3 -","- C92 H123 Cl3 Ge2 N6 O Rh3 -","- C368 H492 Cl12 Ge8 N24 O4 Rh12 -","4","1","","Su, Bochao; Ota, Kei; Li, Yongxin; Kinjo, Rei","Germylone-bridged bimetallic Ir and Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3555","3559","10.1039/c9dt00145j","","","0.71073","MoKα","","0.0989","0.0482","","","0.08","0.0986","","","","","","1.041","","","","has coordinates","224533","2020-10-21","18:00:00",""
"7048899","12.4041","0.0004","14.8542","0.0005","22.8415","0.0008","90","","94.2923","0.0018","90","","4196.8","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H63 Cl2 Ge Ir2 N3 -","- C43 H63 Cl2 Ge Ir2 N3 -","- C172 H252 Cl8 Ge4 Ir8 N12 -","4","1","","Su, Bochao; Ota, Kei; Li, Yongxin; Kinjo, Rei","Germylone-bridged bimetallic Ir and Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3555","3559","10.1039/c9dt00145j","","","0.71073","MoKα","","0.0753","0.0465","","","0.0907","0.0975","","","","","","1.037","","","","has coordinates","224533","2020-10-21","18:00:00",""
"7048900","12.0092","0.0002","22.8477","0.0005","31.5357","0.0006","90","","90","","90","","8652.8","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46.5 H67 Cl2 Ge N3 Rh2 -","- C46.5 H67 Cl2 Ge N3 Rh2 -","- C372 H536 Cl16 Ge8 N24 Rh16 -","8","1","","Su, Bochao; Ota, Kei; Li, Yongxin; Kinjo, Rei","Germylone-bridged bimetallic Ir and Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3555","3559","10.1039/c9dt00145j","","","0.71073","MoKα","","0.0787","0.0428","","","0.0736","0.0872","","","","","","1.041","","","","has coordinates,has disorder","224533","2020-10-21","18:00:00",""
"7048901","14.8856","0.0003","14.9585","0.0003","16.6238","0.0003","90.5493","0.0016","107.193","0.0018","116.472","0.002","3121.85","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H122 B2 F48 N2 P4 Rh2 -","- C118 H122 B2 F48 N2 P4 Rh2 -","- C118 H122 B2 F48 N2 P4 Rh2 -","1","0.5","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0408","0.0355","","","0.0856","0.0893","","","","","","1.02","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048902","12.7701","0.00019","18.6612","0.0002","27.1605","0.0004","90","","95.4584","0.0014","90","","6443.14","0.15","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H61 B F24 N O2 P2 Rh -","- C59 H61 B F24 N O2 P2 Rh -","- C236 H244 B4 F96 N4 O8 P8 Rh4 -","4","1","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0621","0.0435","","","0.1034","0.1125","","","","","","1.022","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048903","16.8574","0.0002","18.21531","0.00017","39.7088","0.0004","90","","96.0401","0.0011","90","","12125.4","0.2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C53 H55 B F24 N O4 P2 Rh -","- C53 H55 B F24 N O4 P2 Rh -","- C424 H440 B8 F192 N8 O32 P16 Rh8 -","8","1","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0696","0.0608","","","0.126","0.1303","","","","","","1.162","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048904","14.7153","0.0003","14.7461","0.0003","16.7356","0.0003","106.475","0.0019","91.7319","0.0017","114.793","0.002","3114.69","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H114 B2 F48 N2 O4 P4 Rh2 -","- C114 H114 B2 F48 N2 O4 P4 Rh2 -","- C114 H114 B2 F48 N2 O4 P4 Rh2 -","1","0.5","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0476","0.0396","","","0.0912","0.0972","","","","","","1.028","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048905","12.52895","0.00011","16.71426","0.00019","20.3652","0.0002","66.149","0.0011","73.5696","0.0009","80.0085","0.0009","3732.72","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H73 B F24 N O2 P2 Rh -","- C69 H73 B F24 N O2 P2 Rh -","- C138 H146 B2 F48 N2 O4 P4 Rh2 -","2","1","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","1.54184","CuKα","","0.058","0.0549","","","0.1484","0.1518","","","","","","1.022","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048906","13.31003","0.00011","13.31003","0.00011","35.1489","0.0005","90","","90","","90","","6226.87","0.11","150","2","150","0.1","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C55 H59 B F24 N O2 P2 Rh -","- C55 H59 B F24 N O2 P2 Rh -","- C220 H236 B4 F96 N4 O8 P8 Rh4 -","4","0.5","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0555","0.0503","","","0.1302","0.1345","","","","","","1.05","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048907","13.0434","0.0002","22.7664","0.0004","23.6858","0.0004","66.4962","0.0017","85.2087","0.0014","87.3998","0.0014","6426.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H65 B F24 N P2 Rh -","- C61 H65 B F24 N P2 Rh -","- C244 H260 B4 F96 N4 P8 Rh4 -","4","2","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0594","0.0466","","","0.1181","0.1276","","","","","","1.03","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048908","12.48767","0.00018","17.2204","0.0003","20.1861","0.0003","107.145","0.0014","107.196","0.0014","99.1527","0.0012","3815.67","0.12","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H79 B Cl2 F24 N P2 Rh -","- C72 H79 B Cl2 F24 N P2 Rh -","- C144 H158 B2 Cl4 F48 N2 P4 Rh2 -","2","1","","Gyton, Matthew R.; Hood, Thomas M.; Chaplin, Adrian B.","A convenient method for the generation of {Rh(PNP)}<sup>+</sup> and {Rh(PONOP)}<sup>+</sup> fragments: reversible formation of vinylidene derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2877","2880","10.1039/c8dt05049j","","x-ray","0.71073","MoKα","","0.0451","0.038","","","0.0932","0.0981","","","","","","1.027","","","","has coordinates,has disorder","224325","2020-10-21","18:00:00",""
"7048909","9.0947","0.0003","13.882","0.0003","15.1063","0.0005","65.599","0.003","83.197","0.002","87.446","0.002","1724.6","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H50 B2 Cl2 F20 O4 P2 -","- C79 H50 B2 Cl2 F20 O4 P2 -","- C79 H50 B2 Cl2 F20 O4 P2 -","1","0.5","","Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Reversible O-H bond activation by an intramolecular frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2896","2899","10.1039/c9dt00228f","","","1.54184","CuKα","","0.0423","0.0401","","","0.1076","0.1096","","","","","","1.033","","","","has coordinates,has disorder","224329","2020-10-21","18:00:00",""
"7048910","11.3306","0.0002","12.847","0.0003","12.9284","0.0003","100.46","0.002","109.362","0.002","96.08","0.002","1717.76","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 B F10 O2 P -","- C40 H26 B F10 O2 P -","- C80 H52 B2 F20 O4 P2 -","2","1","","Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Reversible O-H bond activation by an intramolecular frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2896","2899","10.1039/c9dt00228f","","","1.54184","CuKα","","0.0348","0.0332","","","0.0873","0.0888","","","","","","1.041","","","","has coordinates","224329","2020-10-21","18:00:00",""
"7048911","12.3598","0.0004","13.0701","0.0003","16.0255","0.0004","68.699","0.002","86.559","0.002","68.714","0.003","2239.71","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 B Cl2 F10 O2 P -","- C50 H38 B Cl2 F10 O2 P -","- C100 H76 B2 Cl4 F20 O4 P2 -","2","1","","Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Reversible O-H bond activation by an intramolecular frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2896","2899","10.1039/c9dt00228f","","","1.54184","CuKα","","0.0371","0.0338","","","0.0884","0.0909","","","","","","1.026","","","","has coordinates,has disorder","224329","2020-10-21","18:00:00",""
"7048912","11.6371","0.0003","12.5041","0.0003","17.1917","0.0003","73.1039","0.0019","88.8298","0.0017","67.407","0.002","2198.1","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H90 B2 Cl2 F20 O4 P2 -","- C97 H90 B2 Cl2 F20 O4 P2 -","- C97 H90 B2 Cl2 F20 O4 P2 -","1","0.5","","Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Reversible O-H bond activation by an intramolecular frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2896","2899","10.1039/c9dt00228f","","","1.54184","CuKα","","0.0701","0.0648","","","0.1933","0.201","","","","","","1.033","","","","has coordinates,has disorder","224329","2020-10-21","18:00:00",""
"7048913","20.681","0.004","20.544","0.004","25.33","0.005","90","","90","","90","","10762","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56.2 H50.4 B Cl2.4 F10 O2 P -","- C56.2 H50.4 B Cl2.4 F10 O2 P -","- C449.6 H403.2 B8 Cl19.2 F80 O16 P8 -","8","1","","Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Reversible O-H bond activation by an intramolecular frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2896","2899","10.1039/c9dt00228f","","","1.54184","CuKα","","0.0932","0.08","","","0.2223","0.2399","","","","","","1.048","","","","has coordinates,has disorder","224329","2020-10-21","18:00:00",""
"7048914","15.057","0.003","16.433","0.003","16.648","0.003","90","","93.621","0.004","90","","4111","1.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F3 Ge N2 O3 S -","- C16 H23 F3 Ge N2 O3 S -","- C128 H184 F24 Ge8 N16 O24 S8 -","8","2","","Sinhababu, Soumen; Singh, Dharmendra; Sharma, Mahendra Kumar; Siwatch, Rahul Kumar; Mahawar, Pritam; Nagendran, Selvarajan","Ge(ii) cation catalyzed hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4094","4100","10.1039/c8dt05121f","","","0.71073","MoKα","","0.0714","0.0446","","","0.1013","0.1103","","","","","","1.031","","","","has coordinates","224272","2020-10-21","18:00:00",""
"7048915","8.7656","0.0007","17.3579","0.0015","11.8312","0.001","90","","107.564","0.001","90","","1716.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Ge I N2 -","- C15 H23 Ge I N2 -","- C60 H92 Ge4 I4 N8 -","4","1","","Sinhababu, Soumen; Singh, Dharmendra; Sharma, Mahendra Kumar; Siwatch, Rahul Kumar; Mahawar, Pritam; Nagendran, Selvarajan","Ge(ii) cation catalyzed hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4094","4100","10.1039/c8dt05121f","","","0.71073","MoKα","","0.0506","0.0422","","","0.1226","0.135","","","","","","1.104","","","","has coordinates","224272","2020-10-21","18:00:00",""
"7048916","13.175","0.003","16.047","0.004","8.182","0.002","90","","90.806","0.005","90","","1729.7","0.7","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Ge I N2 -","- C15 H23 Ge I N2 -","- C60 H92 Ge4 I4 N8 -","4","1","","Sinhababu, Soumen; Singh, Dharmendra; Sharma, Mahendra Kumar; Siwatch, Rahul Kumar; Mahawar, Pritam; Nagendran, Selvarajan","Ge(ii) cation catalyzed hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4094","4100","10.1039/c8dt05121f","","","0.71073","MoKα","","0.0666","0.056","","","0.1123","0.1165","","","","","","1.164","","","","has coordinates","224272","2020-10-21","18:00:00",""
"7048917","10.6849","0.0016","19.51","0.003","10.8848","0.0016","90","","109.004","0.003","90","","2145.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl4 Ga Ge N2 -","- C15 H23 Cl4 Ga Ge N2 -","- C60 H92 Cl16 Ga4 Ge4 N8 -","4","1","","Sinhababu, Soumen; Singh, Dharmendra; Sharma, Mahendra Kumar; Siwatch, Rahul Kumar; Mahawar, Pritam; Nagendran, Selvarajan","Ge(ii) cation catalyzed hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4094","4100","10.1039/c8dt05121f","","","0.71073","MoKα","","0.0389","0.0324","","","0.0774","0.0801","","","","","","1.046","","","","has coordinates","224272","2020-10-21","18:00:00",""
"7048918","9.538","0.004","10.012","0.004","17.299","0.007","90","","90","","90","","1652","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 B Ge N2 -","- C15 H26 B Ge N2 -","- C60 H104 B4 Ge4 N8 -","4","1","","Sinhababu, Soumen; Singh, Dharmendra; Sharma, Mahendra Kumar; Siwatch, Rahul Kumar; Mahawar, Pritam; Nagendran, Selvarajan","Ge(ii) cation catalyzed hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4094","4100","10.1039/c8dt05121f","","","0.71073","MoKα","","0.0321","0.0298","","","0.0698","0.0707","","","","","","1.036","","","","has coordinates","224272","2020-10-21","18:00:00",""
"7048919","7.1753","0.0014","10.353","0.002","16.497","0.003","90","","90","","90","","1225.5","0.4","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C8 H11 Eu O11 S -","- C8 H11 Eu O11 S -","- C32 H44 Eu4 O44 S4 -","4","1","","Che, Xue-Jing; Hou, Sheng-Li; Shi, Ying; Yang, Guo-Li; Hou, Yin-Ling; Zhao, Bin","Selectively detecting toluene and benzaldehyde by two stable lanthanide-organic frameworks as luminescent probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3453","3458","10.1039/c8dt05108a","","","0.71073","MoKα","","0.0275","0.0241","","","0.0649","0.1024","","","","","","1.282","","","","has coordinates,has disorder","223811","2020-10-21","18:00:00",""
"7048920","7.1438","0.00014","16.4808","0.0003","10.3419","0.0002","90","","90","","90","","1217.61","0.04","119.9","0.2","119.9","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H11 Eu O11 S -","- C8 H11 Eu O11 S -","- C32 H44 Eu4 O44 S4 -","4","1","","Che, Xue-Jing; Hou, Sheng-Li; Shi, Ying; Yang, Guo-Li; Hou, Yin-Ling; Zhao, Bin","Selectively detecting toluene and benzaldehyde by two stable lanthanide-organic frameworks as luminescent probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3453","3458","10.1039/c8dt05108a","","x-ray","0.71073","MoKα","","0.0298","0.0292","","","0.0761","0.0773","","","","","","1.051","","","","has coordinates","223811","2020-10-21","18:00:00",""
"7048921","13.2024","0.0003","17.3493","0.0004","20.7471","0.0005","89.687","0.002","75.677","0.002","85.672","0.002","4590.9","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H168 Eu2 O26 S5 -","- C217 H165 Eu2 O26 S5 -","- C217 H165 Eu2 O26 S5 -","1","0.5","","Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3768","3776","10.1039/c8dt04749a","","","1.54178","CuKα","","0.047","0.0411","","","0.1068","0.1135","","","","","","1.005","","","","has coordinates,has disorder","224536","2020-10-21","18:00:00",""
"7048922","13.2123","0.0004","17.3707","0.0005","20.7312","0.0005","89.738","0.002","75.704","0.002","85.603","0.002","4596.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H168 Gd2 O26 S5 -","- C217 H165 Gd2 O26 S5 -","- C217 H165 Gd2 O26 S5 -","1","0.5","","Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3768","3776","10.1039/c8dt04749a","","","1.54178","CuKα","","0.0737","0.0516","","","0.1237","0.1393","","","","","","1","","","","has coordinates,has disorder","224536","2020-10-21","18:00:00",""
"7048923","13.2004","0.0003","17.3176","0.0004","20.6645","0.0005","89.505","0.002","75.711","0.002","85.494","0.002","4563.31","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H168 O26 S5 Yb2 -","- C217 H165 O26 S5 Yb2 -","- C217 H165 O26 S5 Yb2 -","1","0.5","","Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3768","3776","10.1039/c8dt04749a","","","0.71073","MoKα","","0.0696","0.0568","","","0.1451","0.1536","","","","","","1.003","","","","has coordinates,has disorder","224536","2020-10-21","18:00:00",""
"7048924","13.1851","0.0002","17.3108","0.0003","20.6431","0.0003","89.46","0.001","75.87","0.001","85.536","0.001","4555.04","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C217 H138 D30 O26 S5 Yb2 -","- C217 H135 D30 O26 S5 Yb2 -","- C217 H135 D30 O26 S5 Yb2 -","1","0.5","","Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3768","3776","10.1039/c8dt04749a","","","0.71073","MoKα","","0.0553","0.0454","","","0.1185","0.1275","","","","","","1","","","","has coordinates,has disorder","224536","2020-10-21","18:00:00",""
"7048925","13.2128","0.0004","17.3769","0.0004","20.8146","0.0004","89.837","0.002","75.481","0.002","85.908","0.002","4614","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H168 Nd2 O26 S5 -","- C217 H165 Nd2 O26 S5 -","- C217 H165 Nd2 O26 S5 -","1","0.5","","Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3768","3776","10.1039/c8dt04749a","","","0.71073","MoKα","","0.0812","0.0561","","","0.1389","0.1559","","","","","","1.002","","","","has coordinates,has disorder","224536","2020-10-21","18:00:00",""
"7048926","13.2079","0.0004","17.3573","0.0005","20.7486","0.0006","89.751","0.002","75.806","0.003","85.757","0.002","4598.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C217 H168 O26 S5 Sm2 -","- C217 H165 O26 S5 Sm2 -","- C217 H165 O26 S5 Sm2 -","1","0.5","","Abad Galán, Laura; Wada, Satoshi; Cameron, Lee; Sobolev, Alexandre N.; Hasegawa, Yasuchika; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Photophysical investigation of near infrared emitting lanthanoid complexes incorporating tris(2-naphthoyl)methane as a new antenna ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3768","3776","10.1039/c8dt04749a","","","0.71073","MoKα","","0.0746","0.0533","","","0.1214","0.1339","","","","","","1.001","","","","has coordinates,has disorder","224536","2020-10-21","18:00:00",""
"7048927","11.4224","0.0007","12.7223","0.0007","16.9771","0.001","80.067","0.003","75.461","0.003","77.245","0.003","2311.2","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H47 Co N2 O P4 -","- C47 H47 Co N2 O P4 -","- C94 H94 Co2 N4 O2 P8 -","2","1","","Poitras, Andrew M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative activation of O-H and S-H bonds across the Co-P bond of an N-heterocyclic phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3074","3079","10.1039/c8dt05052j","","","0.71073","MoKα","","0.06","0.042","","0.1144","0.1027","0.1144","","","","","","0.9939","","","","has coordinates,has disorder","224330","2020-10-21","18:00:00",""
"7048928","6.468","0.004","17.708","0.009","13.526","0.007","90","","108.5","0.016","90","","1469.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N4 S3 Sb V -","- C6.005 H20 N4 S3 Sb V -","- C24.02 H80 N16 S12 Sb4 V4 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Zou, Hua-Hong","A series of new vanadium(iii) chalcogenido-antimonates: an unusual seven-coordinate nitro-selenidovanadium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3090","3097","10.1039/c9dt00268e","","","0.71073","MoKα","","0.0469","0.0372","","","0.1029","0.1131","","","","","","1.049","","","","has coordinates,has disorder","224318","2020-10-21","18:00:00",""
"7048929","10.1717","0.0007","16.5811","0.0012","11.2407","0.0007","90","","94.793","0.003","90","","1889.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H26 N6 Sb Se4 V -","- C8 H26 N6 Sb Se4 V -","- C32 H104 N24 Sb4 Se16 V4 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Zou, Hua-Hong","A series of new vanadium(iii) chalcogenido-antimonates: an unusual seven-coordinate nitro-selenidovanadium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3090","3097","10.1039/c9dt00268e","","","0.71073","MoKα","","0.0713","0.0572","","","0.1492","0.156","","","","","","1.117","","","","has coordinates","224318","2020-10-21","18:00:00",""
"7048930","8.984","0.008","16.043","0.016","28.431","0.01","90","","90","","90","","4098","6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H57 N13 O Sb2 Se8 V2 -","- C16 H57 N13 O Sb2 Se8 V2 -","- C64 H228 N52 O4 Sb8 Se32 V8 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Zou, Hua-Hong","A series of new vanadium(iii) chalcogenido-antimonates: an unusual seven-coordinate nitro-selenidovanadium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3090","3097","10.1039/c9dt00268e","","","0.71073","MoKα","","0.0628","0.0366","","","0.0543","0.0597","","","","","","0.986","","","","has coordinates","224318","2020-10-21","18:00:00",""
"7048931","6.6785","0.0004","17.5807","0.0012","13.3482","0.0009","90","","98.7339","0.0019","90","","1549.07","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 N4 Sb Se3 V -","- C6 H20 N4 Sb Se3 V -","- C24 H80 N16 Sb4 Se12 V4 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Zou, Hua-Hong","A series of new vanadium(iii) chalcogenido-antimonates: an unusual seven-coordinate nitro-selenidovanadium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3090","3097","10.1039/c9dt00268e","","","0.71073","MoKα","","0.0563","0.0376","","","0.0712","0.0774","","","","","","1.043","","","","has coordinates","224318","2020-10-21","18:00:00",""
"7048932","9.1839","0.0008","14.0016","0.0011","14.42","0.0012","62.605","0.004","72.521","0.004","86.256","0.004","1564.5","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H84 N4 O2 S6 -","- C62 H84 N4 O2 S6 -","- C62 H84 N4 O2 S6 -","1","0.5","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Redox chemistry of an anionic dithiolene radical.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3543","3546","10.1039/c8dt04989k","","","0.71073","MoKα","","0.0943","0.0557","","","0.1358","0.1558","","","","","","1.028","","","","has coordinates,has disorder","224547","2020-10-21","18:00:00",""
"7048933","14.1048","0.0015","15.2174","0.0016","19.029","0.0019","90","","90.2","0.003","90","","4084.3","0.7","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H104 Co2 Li2 N4 O2 S6 -","- C82 H104 Co2 Li2 N4 O2 S6 -","- C164 H208 Co4 Li4 N8 O4 S12 -","2","0.5","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Redox chemistry of an anionic dithiolene radical.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3543","3546","10.1039/c8dt04989k","","","0.71073","MoKα","","0.1275","0.0994","","","0.2218","0.2373","","","","","","1.043","","","","has coordinates,has disorder","224547","2020-10-21","18:00:00",""
"7048934","12.5227","0.0009","29.009","0.002","13.0842","0.0009","90","","98.11","0.002","90","","4705.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H140 K2 Li2 N4 O9 S6 -","- C90 H140 K2 Li2 N4 O9 S6 -","- C180 H280 K4 Li4 N8 O18 S12 -","2","0.5","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Redox chemistry of an anionic dithiolene radical.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3543","3546","10.1039/c8dt04989k","","","0.71073","MoKα","","0.1123","0.078","","","0.1934","0.2127","","","","","","1.071","","","","has coordinates,has disorder","224547","2020-10-21","18:00:00",""
"7048935","7.5623","0.0011","10.2596","0.0015","19.026","0.003","97.88","0.002","91.529","0.002","109.537","0.002","1373.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H15 N11 O6 -","- C5 H15 N11 O6 -","- C20 H60 N44 O24 -","4","2","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3237","3242","10.1039/c8dt05071f","","","0.71073","MoKα","","0.0832","0.0681","","","0.2307","0.2425","","","","","","1.075","","","","has coordinates","223803","2020-10-21","18:00:00",""
"7048936","13.4341","0.0003","8.8483","0.0002","15.6056","0.0003","90","","90","","90","","1855.02","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H3 K N6 O4 -","- C5 H3 K N6 O4 -","- C40 H24 K8 N48 O32 -","8","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3237","3242","10.1039/c8dt05071f","","","1.54178","CuKα","","0.0303","0.0278","","","0.072","0.074","","","","","","1.038","","","","has coordinates","223803","2020-10-21","18:00:00",""
"7048937","7.4845","0.0002","12.8712","0.0004","13.3363","0.0004","90","","91.327","0.001","90","","1284.4","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H13 N13 O4 -","- C5 H13 N13 O4 -","- C20 H52 N52 O16 -","4","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3237","3242","10.1039/c8dt05071f","","","0.71073","MoKα","","0.0634","0.0458","","","0.1218","0.1351","","","","","","1.029","","","","has coordinates,has disorder","223803","2020-10-21","18:00:00",""
"7048938","9.8461","0.0001","8.5788","0.0001","18.1409","0.0002","90","","99.3","0.001","90","","1512.18","0.03","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H47 Cl N2 Pt -","- C33 H47 Cl N2 Pt -","- C66 H94 Cl2 N4 Pt2 -","2","1","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0261","0.0221","","","0.0465","0.0489","","","","","","1.001","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7048939","10.5025","0.0004","22.8137","0.0011","16.7653","0.0005","90","","97.478","0.003","90","","3982.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H32 Ag2 Cl2 N4 Pt2 S2 -","- C45 H32 Ag2 Cl2 N4 Pt2 S2 -","- C180 H128 Ag8 Cl8 N16 Pt8 S8 -","4","1","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0574","0.0429","","","0.095","0.1026","","","","","","1.032","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7048940","22.7941","0.0004","14.0196","0.0002","24.1626","0.0005","90","","112.702","0.002","90","","7123.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H65 Ag4 N11 O3 Pt4 -","- C81 H65 Ag4 N11 O3 Pt4 -","- C324 H260 Ag16 N44 O12 Pt16 -","4","1","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0481","0.034","","","0.0728","0.0807","","","","","","1.032","","","","has coordinates,has disorder","223815","2020-10-21","18:00:00",""
"7048941","17.7051","0.0004","16.6937","0.0003","22.3552","0.0005","90","","110.664","0.003","90","","6182.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H54 Ag2 Cl2 N4 P2 Pt2 -","- C73 H54 Ag2 Cl2 N4 P2 Pt2 -","- C292 H216 Ag8 Cl8 N16 P8 Pt8 -","4","1","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0706","0.0478","","","0.085","0.0949","","","","","","1.042","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7048942","21.1251","0.0004","19.179","0.0004","24.3449","0.0005","90","","102.18","0.002","90","","9641.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.85 H13.08 Cl N O0.47 Pt Tl -","- C17.85 H12.7 Cl N O0.475 Pt Tl -","- C428.4 H304.8 Cl24 N24 O11.4 Pt24 Tl24 -","24","6","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.086","0.0648","","","0.1582","0.1765","","","","","","1.05","","","","has coordinates,has disorder","223815","2020-10-21","18:00:00",""
"7048943","13.8571","0.0002","24.0654","0.0005","17.5724","0.0004","90","","103.331","0.0019","90","","5702.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H68 Cl2 N5 Pt2 S2 Tl -","- C61 H68 Cl2 N5 Pt2 S2 Tl -","- C244 H272 Cl8 N20 Pt8 S8 Tl4 -","4","1","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0464","0.0336","","","0.0684","0.0731","","","","","","1.065","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7048944","10.8874","0.0002","22.7857","0.0006","23.2532","0.0005","90","","90","","90","","5768.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 N2 Pt S Tl -","- C22 H15 N2 Pt S Tl -","- C264 H180 N24 Pt12 S12 Tl12 -","12","3","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0796","0.0553","","","0.1015","0.1142","","","","","","1.012","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7048945","5.94053","0.00007","15.5744","0.0003","22.0135","0.0004","70.3429","0.0018","88.3015","0.0012","79.2532","0.0013","1883.15","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 N3 O Pt Tl -","- C21 H18 N3 O Pt Tl -","- C84 H72 N12 O4 Pt4 Tl4 -","4","2","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.039","0.0279","","","0.0561","0.0596","","","","","","1.055","","","","has coordinates,has disorder","223815","2020-10-21","18:00:00",""
"7048946","12.627","0.002","18.389","0.003","23.142","0.004","81.28","0.003","80.406","0.003","80.72","0.003","5185.9","1.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H4 As4 Eu6 K11 O194 W38 -","- C8 H4 As4 Eu6 K11 O194 W38 -","- C8 H4 As4 Eu6 K11 O194 W38 -","1","0.5","","Li, Huafeng; Wu, Hechen; Wan, Rong; Wang, Yuan; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Utilizing the adaptive precursor [As<sub>2</sub>W<sub>19</sub>O<sub>67</sub>(H<sub>2</sub>O)]<sup>14-</sup> to support three hexanuclear lanthanoid-based tungstoarsenate dimers.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2813","2821","10.1039/c8dt04944k","","","0.71073","MoKα","","0.12","0.0735","","","0.1851","0.2226","","","","","","1.019","","","","has coordinates","223966","2020-10-21","18:00:00",""
"7048947","15.32","0.002","18.945","0.003","19.928","0.003","97.119","0.002","99.267","0.002","102.633","0.003","5493.6","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H106 As4 K11 O200 Tb6 W38 -","- C8 H6 As4 K11 O200 Tb6 W38 -","- C8 H6 As4 K11 O200 Tb6 W38 -","1","0.5","","Li, Huafeng; Wu, Hechen; Wan, Rong; Wang, Yuan; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Utilizing the adaptive precursor [As<sub>2</sub>W<sub>19</sub>O<sub>67</sub>(H<sub>2</sub>O)]<sup>14-</sup> to support three hexanuclear lanthanoid-based tungstoarsenate dimers.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2813","2821","10.1039/c8dt04944k","","","0.71073","MoKα","","0.0951","0.0628","","","0.1551","0.1682","","","","","","1.004","","","","has coordinates","223966","2020-10-21","18:00:00",""
"7048948","19.5603","0.0008","22.5308","0.0009","26.0965","0.0011","91.641","0.001","100.028","0.001","108.464","0.001","10699","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H4 As4 Dy6 K15 O189 W38 -","- C8 H4 As4 Dy6 K15 O189 W38 -","- C16 H8 As8 Dy12 K30 O378 W76 -","2","1","","Li, Huafeng; Wu, Hechen; Wan, Rong; Wang, Yuan; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Utilizing the adaptive precursor [As<sub>2</sub>W<sub>19</sub>O<sub>67</sub>(H<sub>2</sub>O)]<sup>14-</sup> to support three hexanuclear lanthanoid-based tungstoarsenate dimers.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2813","2821","10.1039/c8dt04944k","","","0.71073","MoKα","","0.0731","0.0571","","","0.1543","0.1682","","","","","","1.028","","","","has coordinates,has disorder","223966","2020-10-21","18:00:00",""
"7048949","13.6458","0.0012","17.4382","0.0015","14.3952","0.0014","90","","105.352","0.003","90","","3303.2","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cl Ir N2 O3 S -","- C35 H44 Cl Ir N2 O3 S -","- C140 H176 Cl4 Ir4 N8 O12 S4 -","4","1","","Yang, Yanjing; Ge, Xingxing; Guo, Lihua; Zhu, Teng; Tian, Zhenzhen; Zhang, Hairong; Du, Qing; Peng, Hongwei; Ma, Wenli; Liu, Zhe","Zwitterionic and cationic half-sandwich iridium(iii) ruthenium(ii) complexes bearing sulfonate groups: synthesis, characterization and their different biological activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3193","3197","10.1039/c9dt00259f","","","0.71073","MoKα","","0.0598","0.0349","","","0.0752","0.0845","","","","","","1.014","","","","has coordinates,has disorder","223817","2020-10-21","18:00:00",""
"7048950","13.0071","0.0012","18.2846","0.0016","15.6503","0.0013","90","","111.658","0.004","90","","3459.3","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cl Ir N2 O3 S -","- C32 H38 Cl Ir N2 O3 S -","- C128 H152 Cl4 Ir4 N8 O12 S4 -","4","1","","Yang, Yanjing; Ge, Xingxing; Guo, Lihua; Zhu, Teng; Tian, Zhenzhen; Zhang, Hairong; Du, Qing; Peng, Hongwei; Ma, Wenli; Liu, Zhe","Zwitterionic and cationic half-sandwich iridium(iii) ruthenium(ii) complexes bearing sulfonate groups: synthesis, characterization and their different biological activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3193","3197","10.1039/c9dt00259f","","","0.71073","MoKα","","0.0578","0.0476","","","0.1554","0.1584","","","","","","1.886","","","","has coordinates","223817","2020-10-21","18:00:00",""
"7048951","14.801","0.002","14.801","0.002","18.742","0.004","90","","90","","90","","4105.8","1.2","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C43 H36 Au2 Cl2 N2 O5 P2 -","- C43 H36 Au2 Cl2 N2 O5 P2 -","- C172 H144 Au8 Cl8 N8 O20 P8 -","4","0.5","","Fernández-Moreira, Vanesa; Val-Campillo, Cynthia; Ospino, Isaura; Herrera, Raquel P.; Marzo, Isabel; Laguna, Antonio; Gimeno, M Concepción","Bioactive and luminescent indole and isatin based gold(i) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3098","3108","10.1039/c8dt00298c","","","0.71073","MoKα","","0.0207","0.0198","","","0.0459","0.0463","","","","","","1.081","","","","has coordinates,has disorder","224327","2020-10-21","18:00:00",""
"7048952","8.7422","0.0001","12.6084","0.0002","20.5552","0.0003","73.082","0.001","88.862","0.001","79.874","0.001","2132.7","0.05","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H45 Au2 N2 O9.5 P2 -","- C43 H35 Au2 N2 O4.5 P2 -","- C86 H70 Au4 N4 O9 P4 -","2","1","","Fernández-Moreira, Vanesa; Val-Campillo, Cynthia; Ospino, Isaura; Herrera, Raquel P.; Marzo, Isabel; Laguna, Antonio; Gimeno, M Concepción","Bioactive and luminescent indole and isatin based gold(i) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3098","3108","10.1039/c8dt00298c","","","0.71073","MoKα","","0.0364","0.0312","","","0.0688","0.0711","","","","","","1.026","","","","has coordinates,has disorder","224327","2020-10-21","18:00:00",""
"7048953","15.0715","0.0003","16.1923","0.0003","33.2894","0.0007","90","","98.857","0.002","90","","8027.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Au2 N2 O4 P2 -","- C46 H40 Au2 N2 O4 P2 -","- C368 H320 Au16 N16 O32 P16 -","8","2","","Fernández-Moreira, Vanesa; Val-Campillo, Cynthia; Ospino, Isaura; Herrera, Raquel P.; Marzo, Isabel; Laguna, Antonio; Gimeno, M Concepción","Bioactive and luminescent indole and isatin based gold(i) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3098","3108","10.1039/c8dt00298c","","","0.71073","MoKα","","0.0774","0.0548","","","0.1013","0.1067","","","","","","1.213","","","","has coordinates","224327","2020-10-21","18:00:00",""
"7048954","11.2257","0.0011","11.2958","0.0011","14.3024","0.0014","77.2071","0.0013","80.0236","0.0014","79.6023","0.0013","1722.7","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H128 B4 Na Nd O8 -","- C64 H128 B4 Na Nd O8 -","- C64 H128 B4 Na Nd O8 -","1","0.5","","Tanaka, Ryo; Shinto, Yuto; Matsuzaki, Ryusei; Nakayama, Yuushou; Shiono, Takeshi","Stereospecific polymerization of conjugated dienes using neodymium alkylborohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7267","7273","10.1039/c8dt04220a","","","0.71069","MoKα","","0.0374","0.0373","","","0.0961","0.0963","","","","","","1.049","","","","has coordinates,has disorder","224452","2020-10-21","18:00:00",""
"7048955","11.2474","0.0014","16.788","0.002","20.353","0.002","90","","101.486","0.002","90","","3766.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 B3 Nd O3 -","- C30 H72 B3 Nd O3 -","- C120 H288 B12 Nd4 O12 -","4","1","","Tanaka, Ryo; Shinto, Yuto; Matsuzaki, Ryusei; Nakayama, Yuushou; Shiono, Takeshi","Stereospecific polymerization of conjugated dienes using neodymium alkylborohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7267","7273","10.1039/c8dt04220a","","","0.71069","MoKα","","0.0896","0.0484","","","0.0866","0.0998","","","","","","0.994","","","","has coordinates,has disorder","224452","2020-10-21","18:00:00",""
"7048956","13.0158","0.0016","13.8449","0.0017","17.793","0.002","103.499","0.002","95.709","0.002","114.532","0.002","2765.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H171 Eu4 N4 O6 -","- C115 H171 Eu4 N4 O6 -","- C115 H171 Eu4 N4 O6 -","1","0.5","","Klementyeva, Svetlana V.; Lukoyanov, Anton N.; Afonin, Mikhail Yu; Mörtel, Max; Smolentsev, Anton I.; Abramov, Pavel A.; Starikova, Alyona A.; Khusniyarov, Marat M.; Konchenko, Sergey N.","Europium and ytterbium complexes with o-iminoquinonato ligands: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3338","3348","10.1039/c8dt04849e","","x-ray","0.71073","MoKα","","0.0934","0.0502","","","0.1","0.1173","","","","","","1.017","","","","has coordinates,has disorder","223802","2020-10-21","18:00:00",""
"7048957","13.0617","0.0005","13.9854","0.0006","17.7771","0.0007","103.997","0.0014","95.5535","0.0013","114.993","0.0013","2781.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C115.6 H172.4 N4 O6 Yb4 -","- C115.6 H172.4 N4 O6 Yb4 -","- C115.6 H172.4 N4 O6 Yb4 -","1","0.5","","Klementyeva, Svetlana V.; Lukoyanov, Anton N.; Afonin, Mikhail Yu; Mörtel, Max; Smolentsev, Anton I.; Abramov, Pavel A.; Starikova, Alyona A.; Khusniyarov, Marat M.; Konchenko, Sergey N.","Europium and ytterbium complexes with o-iminoquinonato ligands: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3338","3348","10.1039/c8dt04849e","","x-ray","0.71073","MoKα","","0.0546","0.0354","","","0.0823","0.0912","","","","","","1.032","","","","has coordinates,has disorder","223802","2020-10-21","18:00:00",""
"7048958","26.4227","0.0016","13.202","0.0006","31.9679","0.0016","90","","114.589","0.004","90","","10140.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H156 N4 O4 Yb2 -","- C111 H156 N4 O4 Yb2 -","- C444 H624 N16 O16 Yb8 -","4","1","","Klementyeva, Svetlana V.; Lukoyanov, Anton N.; Afonin, Mikhail Yu; Mörtel, Max; Smolentsev, Anton I.; Abramov, Pavel A.; Starikova, Alyona A.; Khusniyarov, Marat M.; Konchenko, Sergey N.","Europium and ytterbium complexes with o-iminoquinonato ligands: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3338","3348","10.1039/c8dt04849e","","","0.71073","MoKα","","0.0601","0.0382","","","0.0852","0.0908","","","","","","1.067","","","","has coordinates","223802","2020-10-21","18:00:00",""
"7048959","11.447","0.0005","11.5457","0.0005","13.5944","0.0006","94.038","0.003","105.644","0.004","103.365","0.004","1666.29","0.14","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Cl2 Fe N6 O8 -","- C35 H24 Cl2 Fe N6 O8 -","- C70 H48 Cl4 Fe2 N12 O16 -","2","1","","Chen, Lingjing; Qin, Yanfei; Chen, Gui; Li, Mingya; Cai, Lirong; Qiu, Yongfu; Fan, Hongbo; Robert, Marc; Lau, Tai-Chu","A molecular noble metal-free system for efficient visible light-driven reduction of CO<sub>2</sub> to CO.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9596","9602","10.1039/c9dt00425d","","x-ray","1.54178","CuKα","","0.0614","0.0556","","","0.1738","0.1771","","","","","","1.112","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7048960","11.4087","0.0004","11.6129","0.0004","26.4344","0.0007","78.865","0.002","81.873","0.002","76.817","0.003","3328.35","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25.5 Cl2 Co N6.5 O8 -","- C36 H25.5 Cl2 Co N6.5 O8 -","- C144 H102 Cl8 Co4 N26 O32 -","4","2","","Chen, Lingjing; Qin, Yanfei; Chen, Gui; Li, Mingya; Cai, Lirong; Qiu, Yongfu; Fan, Hongbo; Robert, Marc; Lau, Tai-Chu","A molecular noble metal-free system for efficient visible light-driven reduction of CO<sub>2</sub> to CO.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9596","9602","10.1039/c9dt00425d","","x-ray","1.54178","CuKα","","0.0571","0.0461","","","0.1165","0.1232","","","","","","1.02","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7048961","30.6832","0.0007","17.0543","0.0003","17.4993","0.0002","90","","98.576","0.002","90","","9054.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 F4 Ir N6 O4 S -","- C41 H41 F4 Ir N6 O4 S -","- C328 H328 F32 Ir8 N48 O32 S8 -","8","2","","Darmawan, Noviyan; Sambri, Letizia; Daniliuc, Constantin G.; De Cola, Luisa","Blue-emitting bolaamphiphilic zwitterionic iridium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3664","3670","10.1039/c8dt04833a","","","0.71073","MoKα","","0.0884","0.0641","","","0.1257","0.1387","","","","","","1.121","","","","has coordinates,has disorder","224545","2020-10-21","18:00:00",""
"7048962","16.4558","0.0002","13.84247","0.00015","18.8277","0.0003","90","","90","","90","","4288.74","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Mo N4 O7 -","- C18 H26 Mo N4 O7 -","- C144 H208 Mo8 N32 O56 -","8","1","","Guo, Haiyang; Gong, Chunhua; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Isopolymolybdate-based inorganic-organic hybrid compounds constructed by multidentate N-donor ligands: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5541","5550","10.1039/c9dt00119k","","x-ray","1.54184","CuKα","","0.0373","0.0306","","","0.0818","0.0875","","","","","","1.023","","","","has coordinates","224097","2020-10-21","18:00:00",""
"7048963","9.3915","0.0003","18.3739","0.0005","15.2729","0.0005","90","","105.222","0.003","90","","2543.01","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co Mo4 N4 O13 -","- C18 H18 Co Mo4 N4 O13 -","- C72 H72 Co4 Mo16 N16 O52 -","4","1","","Guo, Haiyang; Gong, Chunhua; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Isopolymolybdate-based inorganic-organic hybrid compounds constructed by multidentate N-donor ligands: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5541","5550","10.1039/c9dt00119k","","x-ray","1.54184","CuKα","","0.0564","0.0498","","","0.1258","0.132","","","","","","1.043","","","","has coordinates","224097","2020-10-21","18:00:00",""
"7048964","27.2598","0.0009","11.72354","0.00018","21.7423","0.0007","90","","125.402","0.005","90","","5663.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H193.33 Cu8 Mo32 N32 O125.67 -","- C144 H193.333 Cu8 Mo32 N32 O125.666 -","- C144 H193.333 Cu8 Mo32 N32 O125.666 -","1","0.125","","Guo, Haiyang; Gong, Chunhua; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Isopolymolybdate-based inorganic-organic hybrid compounds constructed by multidentate N-donor ligands: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5541","5550","10.1039/c9dt00119k","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.1111","0.1172","","","","","","1.049","","","","has coordinates","224097","2020-10-21","18:00:00",""
"7048965","9.8656","0.0003","19.4521","0.0004","13.8036","0.0003","90","","106.806","0.003","90","","2535.86","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co Mo4 N4 O13 -","- C18 H18 Co Mo4 N4 O13 -","- C72 H72 Co4 Mo16 N16 O52 -","4","1","","Guo, Haiyang; Gong, Chunhua; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Isopolymolybdate-based inorganic-organic hybrid compounds constructed by multidentate N-donor ligands: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5541","5550","10.1039/c9dt00119k","","x-ray","0.71073","MoKα","","0.0348","0.0296","","","0.0727","0.0757","","","","","","1.156","","","","has coordinates","224097","2020-10-21","18:00:00",""
"7048966","10.7419","0.0004","13.82","0.0007","14.4031","0.0007","109.276","0.005","105.85","0.004","104.678","0.004","1797.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Cu3 Mo8 N22 O27 -","- C54 H50 Cu3 Mo8 N22 O27 -","- C54 H50 Cu3 Mo8 N22 O27 -","1","0.5","","Guo, Haiyang; Gong, Chunhua; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Isopolymolybdate-based inorganic-organic hybrid compounds constructed by multidentate N-donor ligands: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5541","5550","10.1039/c9dt00119k","","x-ray","0.71073","MoKα","","0.0604","0.0361","","","0.0701","0.0779","","","","","","1.02","","","","has coordinates","224097","2020-10-21","18:00:00",""
"7048967","19.1135","0.0002","28.3342","0.0003","25.0357","0.0003","90","","90","","90","","13558.5","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 Mn2 N5 O48 P2 W12 -","- C54 H9 Mn2 N5 O48 P2 W12 -","- C216 H36 Mn8 N20 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0444","0.0389","","","0.1248","0.1299","","","","","","1.088","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048968","19.0981","0.0002","28.4851","0.0003","24.8371","0.0003","90","","90","","90","","13511.7","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 Cu2 N5 O48 P2 W12 -","- C54 H9 Cu2 N5 O48 P2 W12 -","- C216 H36 Cu8 N20 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0518","0.0477","","","0.1536","0.1574","","","","","","1.135","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048969","19.0988","0.0002","28.2884","0.0004","24.8669","0.0003","90","","90","","90","","13435","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 N5 Ni2 O48 P2 W12 -","- C54 H9 N5 Ni2 O48 P2 W12 -","- C216 H36 N20 Ni8 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0622","0.0553","","","0.1723","0.1801","","","","","","1.147","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048970","19.0803","0.0002","28.3426","0.0003","24.8868","0.0003","90","","90","","90","","13458.4","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 Co2 N5 O48 P2 W12 -","- C54 H9 Co2 N5 O48 P2 W12 -","- C216 H36 Co8 N20 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0572","0.0528","","","0.1625","0.1679","","","","","","1.096","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048971","19.0793","0.0002","28.2796","0.0003","24.917","0.0003","90","","90","","90","","13444.1","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 N5 O48 P2 W12 Zn2 -","- C54 H9 N5 O48 P2 W12 Zn2 -","- C216 H36 N20 O192 P8 W48 Zn8 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0488","0.0458","","","0.1445","0.1472","","","","","","1.155","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048972","10.6045","0.0003","11.6778","0.0003","16.7101","0.0004","95.69","0.001","99.514","0.001","112.132","0.001","1860.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cl P2 Sb -","- C48 H36 Cl P2 Sb -","- C96 H72 Cl2 P4 Sb2 -","2","1","","Furan, Sinas; Hupf, Emanuel; Boidol, Julian; Brünig, Julian; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transition metal complexes of antimony centered ligands based upon acenaphthyl scaffolds. Coordination non-innocent or not?","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4504","4513","10.1039/c9dt00088g","","x-ray","0.71073","MoKα","","0.0432","0.0357","","","0.0919","0.0957","","","","","","1.074","","","","has coordinates","224291","2020-10-21","18:00:00",""
"7048973","10.0628","0.0003","20.5532","0.0005","18.5737","0.0005","90","","92.836","0.001","90","","3836.76","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl2 Cu P2 Sb -","- C48 H36 Cl2 Cu P2 Sb -","- C192 H144 Cl8 Cu4 P8 Sb4 -","4","1","","Furan, Sinas; Hupf, Emanuel; Boidol, Julian; Brünig, Julian; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transition metal complexes of antimony centered ligands based upon acenaphthyl scaffolds. Coordination non-innocent or not?","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4504","4513","10.1039/c9dt00088g","","x-ray","0.71073","MoKα","","0.04","0.0302","","","0.0743","0.0789","","","","","","1.057","","","","has coordinates","224291","2020-10-21","18:00:00",""
"7048974","12.7393","0.0003","14.4524","0.0004","17.9442","0.0005","74.971","0.002","79.706","0.002","63.904","0.001","2857.52","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H56 Cl2 P3 Sb -","- C73 H56 Cl2 P3 Sb -","- C146 H112 Cl4 P6 Sb2 -","2","1","","Furan, Sinas; Hupf, Emanuel; Boidol, Julian; Brünig, Julian; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transition metal complexes of antimony centered ligands based upon acenaphthyl scaffolds. Coordination non-innocent or not?","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4504","4513","10.1039/c9dt00088g","","x-ray","0.71073","MoKα","","0.0677","0.0393","","","0.0726","0.0818","","","","","","1.013","","","","has coordinates","224291","2020-10-21","18:00:00",""
"7048975","11.8968","0.0003","11.9863","0.0003","18.9047","0.0004","71.521","0.001","85.831","0.001","63.613","0.001","2283.02","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl5 P2 Pt Sb -","- C49 H38 Cl5 P2 Pt Sb -","- C98 H76 Cl10 P4 Pt2 Sb2 -","2","1","","Furan, Sinas; Hupf, Emanuel; Boidol, Julian; Brünig, Julian; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transition metal complexes of antimony centered ligands based upon acenaphthyl scaffolds. Coordination non-innocent or not?","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4504","4513","10.1039/c9dt00088g","","x-ray","0.71073","MoKα","","0.0326","0.0294","","","0.0773","0.0788","","","","","","1.068","","","","has coordinates","224291","2020-10-21","18:00:00",""
"7048976","11.1296","0.0004","11.3396","0.0003","19.013","0.0006","85.72","0.001","85.371","0.001","74.495","0.001","2301.15","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cl7 P2 Pd Sb -","- C50 H40 Cl7 P2 Pd Sb -","- C100 H80 Cl14 P4 Pd2 Sb2 -","2","1","","Furan, Sinas; Hupf, Emanuel; Boidol, Julian; Brünig, Julian; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transition metal complexes of antimony centered ligands based upon acenaphthyl scaffolds. Coordination non-innocent or not?","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4504","4513","10.1039/c9dt00088g","","x-ray","0.71073","MoKα","","0.0499","0.0392","","","0.1059","0.1124","","","","","","1.037","","","","has coordinates","224291","2020-10-21","18:00:00",""
"7048977","11.9228","0.0003","13.2257","0.0003","22.3464","0.0006","85.149","0.001","79.201","0.001","76.848","0.001","3367.31","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H60 Cl7 P3 Rh Sb -","- C75 H60 Cl7 P3 Rh Sb -","- C150 H120 Cl14 P6 Rh2 Sb2 -","2","1","","Furan, Sinas; Hupf, Emanuel; Boidol, Julian; Brünig, Julian; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transition metal complexes of antimony centered ligands based upon acenaphthyl scaffolds. Coordination non-innocent or not?","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4504","4513","10.1039/c9dt00088g","","x-ray","0.71073","MoKα","","0.0332","0.0253","","","0.0539","0.0563","","","","","","1.018","","","","has coordinates","224291","2020-10-21","18:00:00",""
"7048978","12.3004","0.0007","15.5","0.0007","23.3578","0.0012","90","","90","","90","","4453.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Cl7 N2 O2 Ti -","- C41 H51 Cl7 N2 O2 Ti -","- C164 H204 Cl28 N8 O8 Ti4 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","","0.71073","MoKα","","0.0692","0.0553","","","0.1407","0.1509","","","","","","1.036","","","","has coordinates,has disorder","224060","2020-10-21","18:00:00",""
"7048979","6.2766","0.0001","13.5578","0.0002","17.4247","0.0002","90","","90","","90","","1482.79","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.0231","0.0229","","","0.0585","0.0587","","","","","","0.903","","","","has coordinates","224060","2020-10-21","18:00:00",""
"7048980","6.1271","0.0001","16.0917","0.0003","19.7246","0.0004","90","","90","","90","","1944.76","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O2 -","- C24 H24 F N O2 -","- C96 H96 F4 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.029","0.0265","","","0.0641","0.0651","","","","","","1.055","","","","has coordinates","224060","2020-10-21","18:00:00",""
"7048981","5.93196","0.00005","18.49475","0.00019","20.30007","0.00019","90","","90","","90","","2227.12","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0603","0.0605","","","","","","1.069","","","","has coordinates","224060","2020-10-21","18:00:00",""
"7048982","9.7721","0.0001","11.0897","0.0001","27.2621","0.0002","90","","90","","90","","2954.38","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 N O2 -","- C36 H41 N O2 -","- C144 H164 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.0277","0.0272","","","0.0683","0.0686","","","","","","1.042","","","","has coordinates,has disorder","224060","2020-10-21","18:00:00",""
"7048983","7.4978","0.0002","9.7978","0.0003","12.339","0.0003","95.658","0.002","92.544","0.002","111.09","0.003","838.49","0.04","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H7 Au Cl F8 N -","- C18 H7 Au Cl F8 N -","- C36 H14 Au2 Cl2 F16 N2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0214","0.0195","","","0.0427","0.0435","","","","","","1.044","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048984","7.52497","0.0001","20.3047","0.0003","17.2623","0.0003","90","","91.7787","0.0012","90","","2636.27","0.07","183","1","183","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H16 Au2 Cl2 F26 N2 O2 -","- C49 H16 Au2 Cl2 F26 N2 O2 -","- C98 H32 Au4 Cl4 F52 N4 O4 -","2","0.5","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0329","0.0259","","","0.0673","0.071","","","","","","1.082","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048985","9.9129","0.0003","11.1532","0.0003","11.4166","0.0003","103.602","0.003","106.404","0.003","106.367","0.002","1091.74","0.07","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Au F10 N -","- C24 H10 Au F10 N -","- C48 H20 Au2 F20 N2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0255","0.0213","","","0.0439","0.0454","","","","","","1.039","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7048986","7.46347","0.00012","12.3497","0.0002","13.5523","0.0002","116.384","0.0017","91.3367","0.0013","93.6356","0.0014","1114.91","0.03","183","2","183","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H7 Au F13 N -","- C24 H7 Au F13 N -","- C48 H14 Au2 F26 N2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0184","0.0165","","","0.0379","0.0387","","","","","","1.049","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048987","12.4931","0.0003","9.5611","0.0003","15.0285","0.0005","90","","94.074","0.002","90","","1790.58","0.09","183","1","183","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H7 Au Cl F8 N O -","- C18 H7 Au Cl F8 N O -","- C72 H28 Au4 Cl4 F32 N4 O4 -","4","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0409","0.029","","","0.0681","0.0748","","","","","","1.051","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048988","7.12708","0.00009","7.59256","0.00009","20.4351","0.0003","92.686","0.001","90.1522","0.001","94.7363","0.001","1100.79","0.03","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H11 Au F9 N -","- C26 H11 Au F9 N -","- C52 H22 Au2 F18 N2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0216","0.0192","","","0.0451","0.0462","","","","","","1.05","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048989","7.52154","0.00019","12.3617","0.0003","13.5748","0.0004","67.908","0.003","74.915","0.002","77.032","0.002","1117.85","0.06","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H10 Au Cl F10 N2 -","- C23 H9 Au F10 N2 -","- C46 H18 Au2 F20 N4 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0206","0.0176","","","0.0382","0.0395","","","","","","1.051","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7048990","8.972","0.0002","26.025","0.0005","9.282","0.0002","90","","90.407","0.002","90","","2167.26","0.08","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 Au F10 N O -","- C24 H8 Au F10 N O -","- C96 H32 Au4 F40 N4 O4 -","4","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0334","0.0275","","","0.059","0.0612","","","","","","1.096","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048991","13.40689","0.00016","15.13771","0.00019","35.2684","0.0005","90","","90","","90","","7157.71","0.16","183","1","183","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H7 Au Cl F8 N O -","- C18 H7 Au Cl F8 N O -","- C288 H112 Au16 Cl16 F128 N16 O16 -","16","2","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0302","0.0232","","","0.0517","0.0545","","","","","","1.077","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7048992","8.9352","0.00016","11.1309","0.0002","13.2328","0.0003","99.6228","0.0017","94.9371","0.0016","95.313","0.0015","1285.07","0.04","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H9 Au Cl2 F13 N O -","- C25 H9 Au Cl2 F13 N O -","- C50 H18 Au2 Cl4 F26 N2 O2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.027","0.0236","","","0.0547","0.0562","","","","","","1.057","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048993","12.1936","0.0001","14.5075","0.0002","21.3333","0.0002","90","","92.002","0.001","90","","3771.53","0.07","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 Au B F8 N -","- C44 H33 Au B F8 N -","- C176 H132 Au4 B4 F32 N4 -","4","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","1.54184","CuKα","","0.0287","0.0261","","","0.0724","0.0748","","","","","","1.049","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048994","7.3933","0.0005","9.672","0.0007","9.9155","0.0006","90.82","0.005","110.173","0.006","100.635","0.006","651.77","0.08","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H7 Au Cl2 F3 N O -","- C12 H7 Au Cl2 F3 N O -","- C24 H14 Au2 Cl4 F6 N2 O2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0384","0.0314","","","0.0715","0.0736","","","","","","0.961","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048995","7.9515","0.0002","9.0911","0.0002","11.4209","0.0003","98.035","0.002","94.66","0.002","95.709","0.002","809.63","0.03","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H9 Au Cl4 F3 N O -","- C12 H9 Au Cl4 F3 N O -","- C24 H18 Au2 Cl8 F6 N2 O2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","1.54184","CuKα","","0.0175","0.0174","","","0.0438","0.0439","","","","","","1.204","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7048996","9.5835","0.0002","9.1319","0.0002","17.6224","0.0005","90","","103.788","0.003","90","","1497.79","0.07","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Au Cl3 F3 N -","- C12 H8 Au Cl3 F3 N -","- C48 H32 Au4 Cl12 F12 N4 -","4","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0287","0.0211","","","0.0433","0.046","","","","","","1.046","","","","has coordinates,has disorder","224462","2020-10-21","18:00:00",""
"7048997","22.5415","0.0011","7.6492","0.0003","16.1518","0.0007","90","","95.509","0.005","90","","2772.1","0.2","183","1","183","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Au Cl3 N O -","- C12 H9 Au Cl3 N O -","- C96 H72 Au8 Cl24 N8 O8 -","8","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0271","0.022","","","0.05","0.0521","","","","","","1.093","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7048998","8.32835","0.0001","8.52721","0.00013","11.14154","0.00018","80.8251","0.0013","83.4322","0.0012","75.5789","0.0012","754.2","0.02","183","1","183","1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Au Cl3 F3 N O -","- C12 H8 Au Cl3 F3 N O -","- C24 H16 Au2 Cl6 F6 N2 O2 -","2","1","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0103","0.0098","","","0.0239","0.0241","","","","","","1.085","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7048999","13.0625","0.0007","26.5775","0.0016","12.5503","0.0007","90","","90","","90","","4357.1","0.4","120","2","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Co2 N16 O4 -","- C16 H16 Co2 N16 O4 -","- C128 H128 Co16 N128 O32 -","8","0.5","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.021","0.0195","","","0.0457","0.0462","","","","","","1.097","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049000","13.1899","0.0008","27.1044","0.0018","12.7668","0.0008","90","","90","","90","","4564.2","0.5","120","2","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Mn2 N16 O4 -","- C16 H16 Mn2 N16 O4 -","- C128 H128 Mn16 N128 O32 -","8","0.5","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.0328","0.026","","","0.0561","0.0584","","","","","","1.04","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049001","13.0946","0.001","13.0946","0.001","11.3554","0.0009","90","","90","","90","","1947.1","0.3","120","2","120.15","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C8 H4 Cu N8 -","- C8 H4 Cu N8 -","- C64 H32 Cu8 N64 -","8","1","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0622","0.0657","","","","","","1.045","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049002","14.6205","0.0014","12.1534","0.0012","6.274","0.0005","90","","90","","90","","1114.82","0.18","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H8 Mn N8 O2 -","- C8 H8 Mn N8 O2 -","- C32 H32 Mn4 N32 O8 -","4","1","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.0204","0.019","","","0.0472","0.0477","","","","","","1.104","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049003","5.9355","0.001","8.4642","0.0015","9.507","0.0017","85.012","0.004","72.794","0.003","85.129","0.003","453.64","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N6 O2 -","- C18 H24 N6 O2 -","- C18 H24 N6 O2 -","1","0.5","","Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.","Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3743","3757","10.1039/c8dt04773a","","","0.71073","MoKα","","0.0678","0.0548","","","0.1561","0.1693","","","","","","1.023","","","","has coordinates","224532","2020-10-21","18:00:00",""
"7049004","8.9752","0.0002","8.9752","0.0002","57.3894","0.0012","90","","90","","120","","4003.6","0.15","100","2","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C18 H28 Cd Cl2 N6 O12 -","- C18 H28 Cd Cl2 N6 O12 -","- C108 H168 Cd6 Cl12 N36 O72 -","6","0.5","","Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.","Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3743","3757","10.1039/c8dt04773a","","","0.71073","MoKα","","0.0272","0.0261","","","0.0571","0.0575","","","","","","1.116","","","","has coordinates","224532","2020-10-21","18:00:00",""
"7049005","11.448","0.008","15.944","0.011","14.769","0.011","90","","111.007","0.009","90","","2517","3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N6 O10 Zn -","- C18 H24 Cl2 N6 O10 Zn -","- C72 H96 Cl8 N24 O40 Zn4 -","4","1","","Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.","Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3743","3757","10.1039/c8dt04773a","","","0.71073","MoKα","","0.1239","0.0624","","","0.1435","0.1787","","","","","","1.011","","","","has coordinates","224532","2020-10-21","18:00:00",""
"7049006","10.0987","0.0017","14.915","0.003","17.065","0.004","90","","103.468","0.013","90","","2499.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl4 N6 O3 Zn2 -","- C18 H26 Cl4 N6 O3 Zn2 -","- C72 H104 Cl16 N24 O12 Zn8 -","4","1","","Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.","Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3743","3757","10.1039/c8dt04773a","","","0.71073","MoKα","","0.0824","0.0517","","","0.1082","0.1223","","","","","","0.936","","","","has coordinates","224532","2020-10-21","18:00:00",""
"7049007","10.449","0.009","10.657","0.01","12.324","0.011","104.9","0.02","100.698","0.019","93.163","0.019","1295","2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H25 Cl2 Cu N6 O10.5 -","- C18 H25 Cl2 Cu N6 O10.5 -","- C36 H50 Cl4 Cu2 N12 O21 -","2","1","","Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.","Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3743","3757","10.1039/c8dt04773a","","","0.71073","MoKα","","0.0428","0.0382","","","0.1028","0.1072","","","","","","1.03","","","","has coordinates","224532","2020-10-21","18:00:00",""
"7049008","12.4689","0.0008","12.4689","0.0008","20.552","0.002","90","","90","","90","","3195.3","0.4","100","2","100","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C26 H46 Ni P2 Si4 -","- C26 H46 Ni P2 Si4 -","- C104 H184 Ni4 P8 Si16 -","4","0.5","","Zhang, Sen-Yu; Li, Jie; Zhao, Sheng-Ze; Wang, Shi; Lu, Min-Ming; Li, Yong-Hua; Huang, Wei","Isolation of two bis(silyl)nickel complexes with Si-Si bond formation in a single-crystal-to-single-crystal fashion.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3433","3439","10.1039/c8dt04951c","","","0.71073","MoKα","","0.0326","0.0256","","","0.0535","0.0542","","","","","","0.891","","","","has coordinates","223812","2020-10-21","18:00:00",""
"7049009","11.352","0.002","21.355","0.004","15.654","0.003","90","","100.59","0.03","90","","3730.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H61 Ni P3 Si4 -","- C32 H61 Ni P3 Si4 -","- C128 H244 Ni4 P12 Si16 -","4","1","","Zhang, Sen-Yu; Li, Jie; Zhao, Sheng-Ze; Wang, Shi; Lu, Min-Ming; Li, Yong-Hua; Huang, Wei","Isolation of two bis(silyl)nickel complexes with Si-Si bond formation in a single-crystal-to-single-crystal fashion.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3433","3439","10.1039/c8dt04951c","","","0.71073","MoKα","","0.0556","0.0444","","","0.1083","0.1118","","","","","","0.955","","","","has coordinates","223812","2020-10-21","18:00:00",""
"7049010","12.8496","0.0018","19.538","0.003","23.526","0.003","109.887","0.003","101.799","0.003","91.081","0.003","5411.6","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H75 Cl2 N2 O2 P Pd -","- C54 H75 Cl2 N2 O2 P Pd -","- C216 H300 Cl8 N8 O8 P4 Pd4 -","4","2","","Ageshina, Alexandra A.; Sterligov, Grigorii K.; Rzhevskiy, Sergey A.; Topchiy, Maxim A.; Chesnokov, Gleb A.; Gribanov, Pavel S.; Melnikova, Elizaveta K.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Bermeshev, Maxim V.","Mixed er-NHC/phosphine Pd(ii) complexes and their catalytic activity in the Buchwald-Hartwig reaction under solvent-free conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3447","3452","10.1039/c9dt00216b","","","0.71073","MoKα","","0.0774","0.0488","","","0.1081","0.121","","","","","","1.01","","","","has coordinates,has disorder","223814","2020-10-21","18:00:00",""
"7049011","20.806","0.003","17.258","0.002","17.576","0.002","90","","107.483","0.003","90","","6019.5","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H83 Cl2 N2 O2 P Pd -","- C58 H83 Cl2 N2 O2 P Pd -","- C232 H332 Cl8 N8 O8 P4 Pd4 -","4","1","","Ageshina, Alexandra A.; Sterligov, Grigorii K.; Rzhevskiy, Sergey A.; Topchiy, Maxim A.; Chesnokov, Gleb A.; Gribanov, Pavel S.; Melnikova, Elizaveta K.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Bermeshev, Maxim V.","Mixed er-NHC/phosphine Pd(ii) complexes and their catalytic activity in the Buchwald-Hartwig reaction under solvent-free conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3447","3452","10.1039/c9dt00216b","","","0.71073","MoKα","","0.106","0.0572","","","0.1065","0.1241","","","","","","1.037","","","","has coordinates,has disorder","223814","2020-10-21","18:00:00",""
"7049012","10.156","0.002","9.5875","0.0019","13.196","0.003","90","","97.05","0.03","90","","1275.2","0.5","173.15","","173.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H17 Al Cl N O -","- C12 H17 Al Cl N O -","- C48 H68 Al4 Cl4 N4 O4 -","4","1","","Zhu, Dongzhi; Guo, Liwei; Zhang, Wenjuan; Hu, Xinquan; Nomura, Kotohiro; Vignesh, Arumugam; Hao, Xiang; Zhang, Qiuyue; Sun, Wen-Hua","Dialkylaluminum 2-substituted 6,6-dimethylcyclopentylpyridin-7-oxylates toward structural-differentiation of the ring-opening polymerization of ε-caprolactone and l-lactides.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4157","4167","10.1039/c9dt00137a","","","0.71073","MoKα","","0.0516","0.0477","","","0.1433","0.1528","","","","","","1.055","","","","has coordinates","224286","2020-10-21","18:00:00",""
"7049013","16.958","0.0004","16.244","0.0004","24.393","0.0006","90","","104.88","0.002","90","","6494.1","0.3","180","2","180","2","","","","","","","synthesis as described","10","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Cl4 F9 N4 Ni O20 S3 Y Zn -","- C47 H58 Cl4 F9 N4 Ni O20 S3 Y Zn -","- C188 H232 Cl16 F36 N16 Ni4 O80 S12 Y4 Zn4 -","4","1","","Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang","Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3404","3414","10.1039/c9dt00370c","","","0.71073","MoKα","","0.1102","0.059","","","0.1216","0.1414","","","","","","1.038","","","","has coordinates","223813","2020-10-21","18:00:00",""
"7049014","9.8381","0.0011","12.6145","0.0016","12.8061","0.0015","89.022","0.015","86.952","0.014","73.975","0.014","1525.3","0.3","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H36 Er N5 Ni O19 -","- C21 H36 Er N5 Ni O19 -","- C42 H72 Er2 N10 Ni2 O38 -","2","1","","Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang","Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3404","3414","10.1039/c9dt00370c","","","0.71073","MoKα","","0.0379","0.0347","","","0.0844","0.0886","","","","","","1.062","","","","has coordinates,has disorder","223813","2020-10-21","18:00:00",""
"7049015","8.8025","0.0002","16.3713","0.0004","20.1951","0.0005","90","","90","","90","","2910.28","0.12","180","2","180","2","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C21 H36 Cl3 N2 Ni O10 Y -","- C21 H36 Cl3 N2 Ni O10 Y -","- C84 H144 Cl12 N8 Ni4 O40 Y4 -","4","1","","Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang","Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3404","3414","10.1039/c9dt00370c","","x-ray","0.71073","MoKα","","0.024","0.0199","","","0.0377","0.038","","","","","","0.978","","","","has coordinates","223813","2020-10-21","18:00:00",""
"7049016","8.8734","0.0003","16.4237","0.0007","20.2362","0.0008","90","","90","","90","","2949.1","0.2","180","2","180","2","","","","","","","synthesis as described","7","P c a 21","P 2c -2ac","29","","","","- C21 H36 Cl3 Gd N2 Ni O10 -","- C21 H36 Cl3 Gd N2 Ni O10 -","- C84 H144 Cl12 Gd4 N8 Ni4 O40 -","4","1","","Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang","Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3404","3414","10.1039/c9dt00370c","","","0.71073","MoKα","","0.0222","0.0185","","","0.0363","0.0372","","","","","","0.99","","","","has coordinates","223813","2020-10-21","18:00:00",""
"7049017","13.45985","0.00014","13.45985","0.00014","9.66072","0.00016","90","","90","","90","","1750.21","0.04","150","0.3","150","0.3","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H14 B F24 Li O -","- C32 H14 B F24 Li O -","- C64 H28 B2 F48 Li2 O2 -","2","","","Martínez-Martínez, Antonio J.; Weller, Andrew S.","Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures","Dalton Transactions","2019","","","","","10.1039/C9DT00235A","","x-ray","1.54184","CuKα","","0.0537","0.0523","","","0.138","0.139","","","","","","1.088","","","","has coordinates,has disorder","213648","2020-10-21","18:00:00",""
"7049018","13.4834","0.0003","13.4834","0.0003","9.4747","0.0005","90","","90","","90","","1722.52","0.11","150.01","0.1","150.01","0.1","","","","","","","","5","P 4/n","-P 4a","85","","","","- C32 H12 B F24 K -","- C32 H12 B F24 K -","- C64 H24 B2 F48 K2 -","2","","","Martínez-Martínez, Antonio J.; Weller, Andrew S.","Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures","Dalton Transactions","2019","","","","","10.1039/C9DT00235A","","x-ray","1.54184","CuKα","","0.058","0.0514","","","0.1315","0.1378","","","","","","1.051","","","","has coordinates,has disorder","213648","2020-10-21","18:00:00",""
"7049019","13.3508","0.0002","13.3508","0.0002","9.3819","0.0002","90","","90","","90","","1672.27","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C32 H12 B F24 Na -","- C32 H12 B F24 Na -","- C64 H24 B2 F48 Na2 -","2","0.25","","Martínez-Martínez, Antonio J.; Weller, Andrew S.","Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures","Dalton Transactions","2019","","","","","10.1039/C9DT00235A","","x-ray","1.54184","CuKα","","0.0625","0.061","","","0.153","0.1541","","","","","","1.085","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7049020","13.241","0.004","16.539","0.004","35.111","0.009","90","","100.086","0.004","90","","7570","4","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Cu3 Dy Ge N5 O66 W12 -","- C30 H20 Cu3 Dy Ge N5 O66 W12 -","- C120 H80 Cu12 Dy4 Ge4 N20 O264 W48 -","4","1","","Li, Huijie; Gong, Peijun; Jiang, Jun; Li, Yamin; Pang, Jingjing; Chen, Lijuan; Zhao, Junwei","Organic-inorganic hybrids assembled from plenary Keggin-type germanotungstate units and 3d-4f heterometal clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3730","3742","10.1039/c9dt00312f","","","0.71073","MoKα","","0.083","0.0498","","","0.1037","0.1127","","","","","","1.041","","","","has coordinates","224546","2020-10-21","18:00:00",""
"7049021","13.2757","0.0005","16.5995","0.0006","35.2571","0.0013","90","","100.05","0.001","90","","7650.4","0.5","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Cu3 Ge N5 O66 Tb W12 -","- C30 H20 Cu3 Ge N5 O66 Tb W12 -","- C120 H80 Cu12 Ge4 N20 O264 Tb4 W48 -","4","1","","Li, Huijie; Gong, Peijun; Jiang, Jun; Li, Yamin; Pang, Jingjing; Chen, Lijuan; Zhao, Junwei","Organic-inorganic hybrids assembled from plenary Keggin-type germanotungstate units and 3d-4f heterometal clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3730","3742","10.1039/c9dt00312f","","","0.71073","MoKα","","0.0847","0.061","","","0.1547","0.1666","","","","","","1.016","","","","has coordinates","224546","2020-10-21","18:00:00",""
"7049022","18.7617","0.0009","14.7533","0.0007","31.1104","0.0015","90","","94.991","0.001","90","","8578.6","0.7","296","2","296.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 Cu4 Ge La0.5 N6 Na0.5 O72 W12 -","- C36 H24 Cu4 Ge La0.5 N6 Na0.5 O72 W12 -","- C144 H96 Cu16 Ge4 La2 N24 Na2 O288 W48 -","4","1","","Li, Huijie; Gong, Peijun; Jiang, Jun; Li, Yamin; Pang, Jingjing; Chen, Lijuan; Zhao, Junwei","Organic-inorganic hybrids assembled from plenary Keggin-type germanotungstate units and 3d-4f heterometal clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3730","3742","10.1039/c9dt00312f","","","0.71073","MoKα","","0.0709","0.0502","","","0.1095","0.1159","","","","","","1.078","","","","has coordinates,has disorder","224546","2020-10-21","18:00:00",""
"7049023","18.7986","0.0007","14.7548","0.0004","31.1802","0.0012","90","","95.018","0.001","90","","8615.3","0.5","296","2","296","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 Ce0.5 Cu4 Ge N6 Na0.5 O72 W12 -","- C36 H24 Ce0.5 Cu4 Ge N6 Na0.5 O72 W12 -","- C144 H96 Ce2 Cu16 Ge4 N24 Na2 O288 W48 -","4","1","","Li, Huijie; Gong, Peijun; Jiang, Jun; Li, Yamin; Pang, Jingjing; Chen, Lijuan; Zhao, Junwei","Organic-inorganic hybrids assembled from plenary Keggin-type germanotungstate units and 3d-4f heterometal clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3730","3742","10.1039/c9dt00312f","","","0.71073","MoKα","","0.0588","0.054","","","0.1356","0.1378","","","","","","1.083","","","","has coordinates,has disorder","224546","2020-10-21","18:00:00",""
"7049024","7.8016","0.0008","26.772","0.003","17.7555","0.0019","90","","93.142","0.005","90","","3702.9","0.7","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O10 U -","- C38 H42 O10 U -","- C152 H168 O40 U4 -","4","1","","Darzinezhad, Khodabakhsh; Amini, Mostafa M.; Mohajerani, Ezeddin; Armaghan, Mahsa; Knedel, Tim Oliver; Abareghi, Afshin; Janiak, Christoph","Fabrication of blue organic light-emitting diodes from novel uranium complexes: synthesis, characterization, and electroluminescence studies of uranium anthracene-9-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3695","3703","10.1039/c8dt04981e","","","0.71073","MoKα","","0.0221","0.02","","","0.0461","0.0468","","","","","","1.103","","","","has coordinates,has disorder","224539","2020-10-21","18:00:00",""
"7049025","8.9252","0.0007","9.2387","0.0007","12.1717","0.0009","68.676","0.003","85.383","0.003","84.565","0.003","929.58","0.12","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 O14 U2 -","- C36 H40 O14 U2 -","- C36 H40 O14 U2 -","1","0.5","","Darzinezhad, Khodabakhsh; Amini, Mostafa M.; Mohajerani, Ezeddin; Armaghan, Mahsa; Knedel, Tim Oliver; Abareghi, Afshin; Janiak, Christoph","Fabrication of blue organic light-emitting diodes from novel uranium complexes: synthesis, characterization, and electroluminescence studies of uranium anthracene-9-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3695","3703","10.1039/c8dt04981e","","","0.71073","MoKα","","0.0192","0.0187","","","0.0491","0.0493","","","","","","1.059","","","","has coordinates","224539","2020-10-21","18:00:00",""
"7049026","10.6301","0.0006","11.9054","0.0007","11.9924","0.0007","110.639","0.003","100.789","0.003","98.333","0.003","1357.98","0.14","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H48 O16 U2 -","- C62 H48 O16 U2 -","- C62 H48 O16 U2 -","1","0.5","","Darzinezhad, Khodabakhsh; Amini, Mostafa M.; Mohajerani, Ezeddin; Armaghan, Mahsa; Knedel, Tim Oliver; Abareghi, Afshin; Janiak, Christoph","Fabrication of blue organic light-emitting diodes from novel uranium complexes: synthesis, characterization, and electroluminescence studies of uranium anthracene-9-carboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3695","3703","10.1039/c8dt04981e","","","0.71073","MoKα","","0.0203","0.0171","","","0.0377","0.0386","","","","","","1.047","","","","has coordinates","224539","2020-10-21","18:00:00",""
"7049027","20.265","0.005","20.265","0.005","13.335","0.003","90","","90","","120","","4743","2","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C87 H132 K12 N36 O61 Ti12 -","- C87 H120 K12 N36 O61 Ti12 -","- C87 H120 K12 N36 O61 Ti12 -","1","0.0833333","","Passadis, Stamatis S.; Hadjithoma, Sofia; Kalampounias, Angelos G.; Tsipis, Athanassios C.; Sproules, Stephen; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, structural and physicochemical characterization of a new type Ti<sub>6</sub>-oxo cluster protected by a cyclic imide dioxime ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5551","5559","10.1039/c9dt00658c","","","0.71073","MoKα","","0.1463","0.0826","","","0.2615","0.3239","","","","","","1.057","","","","has coordinates,has disorder","224101","2020-10-21","18:00:00",""
"7049028","16.397","0.003","19.194","0.004","17.667","0.004","90","","90","","90","","5560","2","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H67 B2 Fe N5 O2 -","- C67 H67 B2 Fe N5 O2 -","- C268 H268 B8 Fe4 N20 O8 -","4","0.5","","Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.","Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3243","3248","10.1039/c8dt05074k","","","0.71073","MoKα","","0.0812","0.0571","","","0.1312","0.1491","","","","","","1.039","","","","has coordinates","223804","2020-10-21","18:00:00",""
"7049029","16.401","0.006","19.168","0.007","17.676","0.007","90","","90","","90","","5557","4","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H67 B2 Co N5 O2 -","- C67 H67 B2 Co N5 O2 -","- C268 H268 B8 Co4 N20 O8 -","4","0.5","","Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.","Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3243","3248","10.1039/c8dt05074k","","","0.71073","MoKα","","0.0539","0.0385","","","0.0925","0.1024","","","","","","1.029","","","","has coordinates","223804","2020-10-21","18:00:00",""
"7049030","16.409","0.01","19.183","0.011","17.634","0.01","90","","90","","90","","5551","6","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H67 B2 N5 Ni O2 -","- C67 H67 B2 N5 Ni O2 -","- C268 H268 B8 N20 Ni4 O8 -","4","0.5","","Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.","Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3243","3248","10.1039/c8dt05074k","","","0.71073","MoKα","","0.095","0.0521","","","0.1054","0.1275","","","","","","1.028","","","","has coordinates","223804","2020-10-21","18:00:00",""
"7049031","9.5859","0.0013","13.8752","0.0017","15.248","0.002","67.744","0.007","83.316","0.008","87.62","0.008","1864.2","0.4","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 Fe N11 O12 -","- C30 H29 Cl2 Fe N11 O12 -","- C60 H58 Cl4 Fe2 N22 O24 -","2","1","","Senthil Kumar, Kuppusamy; Heinrich, Benoît; Vela, Sergi; Moreno-Pineda, Eufemio; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover characteristics of a highly distorted [Fe(1-BPP-COOC<sub>2</sub>H<sub>5</sub>)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub>·CH<sub>3</sub>CN complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3825","3830","10.1039/c8dt04928a","","","1.54178","CuKα","","0.1306","0.0763","","","0.203","0.239","","","","","","1.068","","","","has coordinates,has disorder","224575","2020-10-21","18:00:00",""
"7049032","9.379","0.003","12.106","0.005","12.656","0.005","117.147","0.01","96.61","0.01","89.912","0.01","1268.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Co2 Li2 N2 O12 -","- C40 H64 Co2 Li2 N2 O12 -","- C40 H64 Co2 Li2 N2 O12 -","1","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","","0.71073","MoKα","","0.0944","0.0718","","","0.191","0.2109","","","","","","1.11","","","","has coordinates","224534","2020-10-21","18:00:00",""
"7049033","13.2635","0.0003","13.2635","0.0003","17.6166","0.0005","90","","90","","90","","3099.12","0.13","130","2","130","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C21 H30 Li N3 O9 Zn -","- C21 H30 Li N3 O9 Zn -","- C84 H120 Li4 N12 O36 Zn4 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0713","0.0637","","","0.1844","0.1947","","","","","","1.117","","","","has coordinates,has disorder","224534","2020-10-21","18:00:00",""
"7049034","13.1202","0.0002","13.1202","0.0002","17.6987","0.0004","90","","90","","90","","3046.65","0.1","130","2","130","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C25 H39 Co Li N4 O10 -","- C25 H39 Co Li N4 O10 -","- C100 H156 Co4 Li4 N16 O40 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0398","0.0359","","","0.0824","0.0842","","","","","","1.092","","","","has coordinates","224534","2020-10-21","18:00:00",""
"7049035","11.2469","0.0004","29.1732","0.0009","12.3612","0.0004","90","","92.248","0.003","90","","4052.7","0.2","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H42 Co Li N3 O9 -","- C35 H33 Co Li N2 O8 -","- C140 H132 Co4 Li4 N8 O32 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0934","0.0782","","","0.243","0.2578","","","","","","1.053","","","","has coordinates","224534","2020-10-21","18:00:00",""
"7049036","11.8491","0.0005","29.0049","0.001","12.2371","0.0004","90","","93.249","0.003","90","","4198.9","0.3","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H36 Li N3 O9 Zn -","- C33 H29 Li N2 O8 Zn -","- C132 H116 Li4 N8 O32 Zn4 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0795","0.0657","","","0.2063","0.218","","","","","","1.061","","","","has coordinates,has disorder","224534","2020-10-21","18:00:00",""
"7049037","10.5543","0.0008","16.5381","0.0013","16.6482","0.0013","92.982","0.003","99.5","0.003","94.337","0.003","2851.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H73 B O3 Os P2 -","- C67 H73 B O3 Os P2 -","- C134 H146 B2 O6 Os2 P4 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Sibilla, Francesca","Pentamethylcyclopentadienyl osmium complexes that contain diazoalkane, dioxygen and allenylidene ligands: preparation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3116","3131","10.1039/c9dt00223e","","","0.71073","MoKα","","0.0756","0.0493","","","0.0942","0.1023","","","","","","1.029","","","","has coordinates","224321","2020-10-21","18:00:00",""
"7049038","17.0342","0.0008","16.7169","0.0009","18.298","0.001","90","","104.281","0.002","90","","5049.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H59 B O4 Os P2 -","- C56 H59 B O4 Os P2 -","- C224 H236 B4 O16 Os4 P8 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Sibilla, Francesca","Pentamethylcyclopentadienyl osmium complexes that contain diazoalkane, dioxygen and allenylidene ligands: preparation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3116","3131","10.1039/c9dt00223e","","","0.71073","MoKα","","0.0373","0.026","","","0.0561","0.06","","","","","","1.045","","","","has coordinates","224321","2020-10-21","18:00:00",""
"7049039","16.9078","0.0012","18.2131","0.0014","34.414","0.003","102.266","0.002","96.846","0.002","105.345","0.002","9811.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H59 B O5 Os P2 -","- C55 H59 B O5 Os P2 -","- C440 H472 B8 O40 Os8 P16 -","8","4","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Sibilla, Francesca","Pentamethylcyclopentadienyl osmium complexes that contain diazoalkane, dioxygen and allenylidene ligands: preparation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3116","3131","10.1039/c9dt00223e","","","0.71073","MoKα","","0.0597","0.0431","","","0.0918","0.0977","","","","","","1.055","","","","has coordinates","224321","2020-10-21","18:00:00",""
"7049040","13.8285","0.0004","8.9016","0.0003","27.5841","0.0009","90","","90","","90","","3395.49","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Dy2 N4 O24 -","- C22 H26 Dy2 N4 O24 -","- C88 H104 Dy8 N16 O96 -","4","0.5","","Sran, Balkaran Singh; Gonzalez, Jessica Flores; Montigaud, Vincent; Le Guennic, Boris; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural and magnetic investigations of a binuclear coordination compound of dysprosium(iii) dinitrobenzoate.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3922","3929","10.1039/c8dt04253e","","","0.71073","MoKα","","0.0472","0.0286","","","0.0708","0.0791","","","","","","1.064","","","","has coordinates","224577","2020-10-21","18:00:00",""
"7049041","29.9131","0.0009","29.9131","0.0009","29.352","0.0016","90","","90","","120","","22745.3","1.6","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C63 H45 Cu24 Na6 O118 P -","- C63 H45 Cu24 Na6 O118 P -","- C252 H180 Cu96 Na24 O472 P4 -","4","0.333333","","Meng, Wei; Ye, Hongfang; Liu, Shuai; Xu, Feng; Xu, Weijian","Emergence of complex chiral coordination clusters {CuNa<sub>12</sub>} by using multiple ligands under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3204","3208","10.1039/c9dt00209j","","","0.71073","MoKα","","0.082","0.0541","","","0.1563","0.1781","","","","","","1.035","","","","has coordinates","223805","2020-10-21","18:00:00",""
"7049042","30.1147","0.0009","30.1147","0.0009","29.317","0.0016","90","","90","","120","","23025.4","1.6","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C63 H45 Cu24 Na6 O118 P -","- C63 H45 Cu24 Na6 O118 P -","- C252 H180 Cu96 Na24 O472 P4 -","4","0.333333","","Meng, Wei; Ye, Hongfang; Liu, Shuai; Xu, Feng; Xu, Weijian","Emergence of complex chiral coordination clusters {CuNa<sub>12</sub>} by using multiple ligands under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3204","3208","10.1039/c9dt00209j","","","0.71073","MoKα","","0.0726","0.0623","","","0.1797","0.1936","","","","","","0.855","","","","has coordinates","223805","2020-10-21","18:00:00",""
"7049043","13.8165","0.0016","13.8165","0.0016","22.984","0.003","90","","90","","120","","3799.7","0.8","296","2","296.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C16 H6 Eu O8 -","- C16 H6 Eu O8 -","- C96 H36 Eu6 O48 -","6","1","","Pan, Yue; Su, Hai-Quan; Zhou, En-Long; Yin, Hong-Zong; Shao, Kui-Zhan; Su, Zhong-Min","A stable mixed lanthanide metal-organic framework for highly sensitive thermometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3723","3729","10.1039/c9dt00217k","","x-ray","0.71073","MoKα","","0.0389","0.0277","","","0.0566","0.0598","","","","","","0.927","","","","has coordinates","224538","2020-10-21","18:00:00",""
"7049044","13.825","0.005","13.825","0.005","22.984","0.005","90","","90","","120","","3804","2","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C16 H6 O8 Tb -","- C16 H6 O8 Tb -","- C96 H36 O48 Tb6 -","6","1","","Pan, Yue; Su, Hai-Quan; Zhou, En-Long; Yin, Hong-Zong; Shao, Kui-Zhan; Su, Zhong-Min","A stable mixed lanthanide metal-organic framework for highly sensitive thermometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3723","3729","10.1039/c9dt00217k","","x-ray","0.71069","MoKα","","0.0451","0.0293","","","0.0553","0.0593","","","","","","0.946","","","","has coordinates","224538","2020-10-21","18:00:00",""
"7049045","13.591","0.003","13.807","0.003","14.56","0.003","80.22","0.02","69.83","0.02","77.36","0.02","2489.2","1","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H112 Dy6 N4 O40 Zn4 -","- C83 H112 Dy6 N4 O40 Zn4 -","- C83 H112 Dy6 N4 O40 Zn4 -","1","0.5","","Stavgianoudaki, Nikoleta; Siczek, Milosz; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","A decanuclear [DyZn] cluster: a {Zn} rectangle surrounding an octahedral {Dy} single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3566","3570","10.1039/c9dt00440h","","","0.71073","MoKα","","0.062","0.0368","","","0.0662","0.0735","","","","","","1.026","","","","has coordinates,has disorder","224531","2020-10-21","18:00:00",""
"7049046","8.3557","0.0001","8.3557","0.0001","11.8796","0.0003","90","","90","","90","","829.41","0.03","140","","140","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Cr K N8 -","- C10 H16 Cr K N8 -","- C20 H32 Cr2 K2 N16 -","2","0.125","","Rok, M.; Bator, G.; Zarychta, B.; Dziuk, B.; Repeć, J; Medycki, W.; Zamponi, M.; Usevičius, G; Šimėnas, M; Banys, J.","Isostructural phase transition, quasielastic neutron scattering and magnetic resonance studies of a bistable dielectric ion-pair crystal [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]<sub>2</sub>KCr(CN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4190","4202","10.1039/c8dt05082a","","","0.71073","MoKα","","0.055","0.047","","","0.0919","0.0949","","","","","","1.171","","","","has coordinates","224277","2020-10-21","18:00:00",""
"7049047","8.403","0.0001","8.403","0.0001","11.8999","0.0003","90","","90","","90","","840.26","0.03","230","","230","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Cr K N8 -","- C10 H16 Cr K N8 -","- C20 H32 Cr2 K2 N16 -","2","0.125","","Rok, M.; Bator, G.; Zarychta, B.; Dziuk, B.; Repeć, J; Medycki, W.; Zamponi, M.; Usevičius, G; Šimėnas, M; Banys, J.","Isostructural phase transition, quasielastic neutron scattering and magnetic resonance studies of a bistable dielectric ion-pair crystal [(CH<sub>3</sub>)<sub>2</sub>NH<sub>2</sub>]<sub>2</sub>KCr(CN)<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4190","4202","10.1039/c8dt05082a","","","0.71073","MoKα","","0.0349","0.0219","","","0.0563","0.0603","","","","","","1.087","","","","has coordinates,has disorder","224277","2020-10-21","18:00:00",""
"7049048","11.6575","0.0009","21.88","0.002","22.8176","0.0018","90","","95.141","0.002","90","","5796.6","0.8","150","","150.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H46 Cl2 Fe6 Ge6 O14 -","- C50 H46 Cl2 Fe6 Ge6 O14 -","- C200 H184 Cl8 Fe24 Ge24 O56 -","4","1","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters","Dalton Transactions","2019","","","","","10.1039/C9DT00097F","","x-ray","0.71073","MoKα","","0.0387","0.0322","","","0.0755","0.0783","","","","","","1.076","","","","has coordinates","213700","2020-10-21","18:00:00",""
"7049049","20.9394","0.001","20.9394","0.001","17.7553","0.0019","90","","90","","90","","7785","1","150","","150","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C82 H72 Fe8 Ge6 O14 -","- C82 H72 Fe8 Ge6 O14 -","- C328 H288 Fe32 Ge24 O56 -","4","","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters","Dalton Transactions","2019","","","","","10.1039/C9DT00097F","","x-ray","0.71073","MoKα","","0.0776","0.0497","","","0.1301","0.154","","","","","","1.031","","","","has coordinates","213700","2020-10-21","18:00:00",""
"7049050","13.634","0.0012","9.1694","0.0008","17.4443","0.0015","90","","111.657","0.001","90","","2026.9","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl Fe3 Ge O5 -","- C20 H15 Cl Fe3 Ge O5 -","- C80 H60 Cl4 Fe12 Ge4 O20 -","4","1","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters","Dalton Transactions","2019","","","","","10.1039/C9DT00097F","","x-ray","0.71073","MoKα","","0.0331","0.0269","","","0.0642","0.0667","","","","","","1.05","","","","has coordinates,has disorder","213700","2020-10-21","18:00:00",""
"7049051","31.133","0.002","11.6457","0.0008","19.5361","0.0015","90","","111.225","0.001","90","","6602.6","0.8","150","","150.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H54 Fe6 Ge6 O12 -","- C63 H54 Fe6 Ge6 O12 -","- C252 H216 Fe24 Ge24 O48 -","4","0.5","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","On the reaction of GeCl2·Dioxane with KFeCp(CO)2: Isolation and characterization of novel bimetallic clusters","Dalton Transactions","2019","","","","","10.1039/C9DT00097F","","x-ray","0.71073","MoKα","","0.0769","0.042","","","0.0976","0.1094","","","","","","1.047","","","","has coordinates,has disorder","213700","2020-10-21","18:00:00",""
"7049052","16.4346","0.0004","21.1397","0.0005","24.5462","0.0005","90","","90","","90","","8527.9","0.3","150","0.2","150","0.2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C88 H87 B F24 N4 O Ru Zn -","- C88 H87 B F24 N4 O Ru Zn -","- C352 H348 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","0.71073","MoKα","","0.068","0.0511","","","0.1112","0.1206","","","","","","1.077","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049053","22.2537","0.0014","13.5448","0.0008","12.4203","0.0007","90","","93.81","0.005","90","","3735.5","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H55 Cl N4 O5 Ru -","- C41 H54 Cl N4 O5 Ru -","- C164 H216 Cl4 N16 O20 Ru4 -","4","0.5","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","1.54184","CuKα","","0.0531","0.0512","","","0.1314","0.1326","","","","","","1.074","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049054","14.96","0.0004","15.8674","0.0005","16.5741","0.0005","87.261","0.003","80.381","0.002","75.276","0.002","3751.5","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H74 B F25 N4 O6 Ru -","- C77 H74 B F25 N4 O6 Ru -","- C154 H148 B2 F50 N8 O12 Ru2 -","2","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","0.71073","MoKα","","0.0813","0.0617","","","0.1407","0.1516","","","","","","1.063","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049055","13.1638","0.0004","17.7078","0.0006","19.6253","0.0006","95.885","0.002","94.337","0.002","98.208","0.002","4485","0.2","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C89 H91 B Cl2 F24 N4 O Ru Zn -","- C89 H91 B Cl2 F24 N4 O Ru Zn -","- C178 H182 B2 Cl4 F48 N8 O2 Ru2 Zn2 -","2","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","0.71073","MoKα","","0.0675","0.0467","","","0.1017","0.1136","","","","","","1.037","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049056","12.7837","0.0002","17.1267","0.0003","20.4172","0.0003","84.063","0.001","88.767","0.001","85.402","0.001","4431.51","0.12","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C88 H91 B F24 N4 O Ru Zn -","- C88 H91 B F24 N4 O Ru Zn -","- C176 H182 B2 F48 N8 O2 Ru2 Zn2 -","2","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","0.71073","MoKα","","0.0694","0.0503","","","0.1188","0.1298","","","","","","1.042","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049057","9.9024","0.0001","18.4531","0.0002","19.4882","0.0003","112.078","0.001","103.002","0.001","96.389","0.001","3138.81","0.08","149.9","0.3","149.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C59 H52 B F24 N4 O6 Ru -","- C59 H52 B F24 N4 O6 Ru -","- C118 H104 B2 F48 N8 O12 Ru2 -","2","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","1.54184","CuKα","","0.0573","0.053","","","0.1471","0.1523","","","","","","1.039","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049058","10.588","0.0001","25.6243","0.0002","13.6538","0.0001","90","","103.78","0.001","90","","3597.79","0.05","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 N2 O P Ru Zn -","- C41 H41 N2 O P Ru Zn -","- C164 H164 N8 O4 P4 Ru4 Zn4 -","4","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","1.54184","CuKα","","0.0294","0.0279","","","0.0729","0.074","","","","","","1.056","","","","has coordinates","224276","2020-10-21","18:00:00",""
"7049059","9.8428","0.0002","11.4984","0.0003","17.921","0.0003","87.163","0.002","81.171","0.002","65.917","0.002","1829.55","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 N2 O P Ru Zn -","- C41 H43 N2 O P Ru Zn -","- C82 H86 N4 O2 P2 Ru2 Zn2 -","2","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","1.54184","CuKα","","0.0311","0.0274","","","0.065","0.0672","","","","","","1.02","","","","has coordinates","224276","2020-10-21","18:00:00",""
"7049060","12.9608","0.0004","13.1449","0.0004","21.6148","0.0007","94.981","0.003","91.296","0.003","97.163","0.003","3637.9","0.2","150","0.11","150","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C72 H71 B F24 N4 O6 Ru Zn -","- C72 H71 B F24 N4 O6 Ru Zn -","- C144 H142 B2 F48 N8 O12 Ru2 Zn2 -","2","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","0.71073","MoKα","","0.058","0.0441","","","0.1015","0.1096","","","","","","1.027","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049061","10.2772","0.0002","11.4391","0.0002","10.8292","0.0002","90","","99.331","0.002","90","","1256.26","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Cl N4 O5 Ru -","- C23 H32 Cl N4 O5 Ru -","- C46 H64 Cl2 N8 O10 Ru2 -","2","0.5","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","1.54184","CuKα","","0.0378","0.0343","","","0.0721","0.0736","","","","","","1.194","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049062","14.3356","0.0003","20.071","0.0004","14.4692","0.0003","90","","91.7953","0.0017","90","","4161.18","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H82 Dy2 N16 O30 Zn4 -","- C70 H82 Dy2 N16 O30 Zn4 -","- C140 H164 Dy4 N32 O60 Zn8 -","2","0.5","","Gao, Guoshu; Wang, Li; Zhang, Ruilian; Xu, Cong; Yang, Huan; Liu, Weisheng","Hexanuclear 3d-4f complexes as efficient catalysts for converting CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3941","3945","10.1039/c8dt05048a","","","0.71073","MoKα","","0.0671","0.0415","","","0.0881","0.1048","","","","","","1.012","","","","has coordinates","224574","2020-10-21","18:00:00",""
"7049063","14.368","0.0005","20.0757","0.0007","14.4606","0.0005","90","","91.601","0.003","90","","4169.5","0.3","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H82 N16 O30 Tb2 Zn4 -","- C70 H82 N16 O30 Tb2 Zn4 -","- C140 H164 N32 O60 Tb4 Zn8 -","2","0.5","","Gao, Guoshu; Wang, Li; Zhang, Ruilian; Xu, Cong; Yang, Huan; Liu, Weisheng","Hexanuclear 3d-4f complexes as efficient catalysts for converting CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3941","3945","10.1039/c8dt05048a","","","0.71073","MoKα","","0.0673","0.0428","","","0.0714","0.0835","","","","","","1.036","","","","has coordinates","224574","2020-10-21","18:00:00",""
"7049064","14.1749","0.0005","20.122","0.0008","14.541","0.0005","90","","91.984","0.003","90","","4145","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H82 N16 Nd2 O30 Zn4 -","- C70 H82 N16 Nd2 O30 Zn4 -","- C140 H164 N32 Nd4 O60 Zn8 -","2","0.5","","Gao, Guoshu; Wang, Li; Zhang, Ruilian; Xu, Cong; Yang, Huan; Liu, Weisheng","Hexanuclear 3d-4f complexes as efficient catalysts for converting CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3941","3945","10.1039/c8dt05048a","","","0.71073","MoKα","","0.0527","0.0399","","","0.0843","0.0912","","","","","","1.044","","","","has coordinates","224574","2020-10-21","18:00:00",""
"7049065","13.811","0.003","13.811","0.003","7.338","0.002","90","","90","","120","","1212.2","0.5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C3 H18 F9 Gd O18 S3 -","- C3 H18 F9 Gd O18 S3 -","- C6 H36 F18 Gd2 O36 S6 -","2","0.166667","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0236","0.0202","","","0.0447","0.0469","","","","","","1.037","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049066","9.161","0.002","17.174","0.003","15.221","0.003","90","","92.74","0.02","90","","2392","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 Cl3 Gd O13 -","- C10 H36 Cl3 Gd O13 -","- C40 H144 Cl12 Gd4 O52 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0621","0.0558","","","0.1458","0.1576","","","","","","1.065","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049067","8.632","0.002","9.152","0.002","15.614","0.003","83.01","0.02","85.17","0.02","81.32","0.02","1207.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 Gd N4 Na O13 -","- C16 H34 Gd N4 Na O13 -","- C32 H68 Gd2 N8 Na2 O26 -","2","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0464","0.0442","","","0.1202","0.1241","","","","","","1.122","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049068","37.315","0.002","8.885","0.002","16.592","0.002","90","","111.12","0.02","90","","5131.5","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H33.2 Cl K2 Lu N4 O12.85 -","- C16 H32.2 Cl K2 Lu N4 O12.6 -","- C128 H257.6 Cl8 K16 Lu8 N32 O100.8 -","8","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0434","0.0314","","","0.0606","0.0641","","","","","","1.075","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049069","11.064","0.003","11.133","0.003","13.009","0.004","90.7","0.02","91.64","0.02","110.49","0.03","1500","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 Cl Lu N8 O20 -","- C12 H39 Cl Lu N8 O20 -","- C24 H78 Cl2 Lu2 N16 O40 -","2","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0516","0.049","","","0.1283","0.1319","","","","","","0.975","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049070","10.308","0.004","18.561","0.009","15.946","0.006","90","","102.07","0.04","90","","2983","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H48 Cl3 Lu O18 -","- C12 H48 Cl3 Lu O18 -","- C48 H192 Cl12 Lu4 O72 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0771","0.0584","","","0.1512","0.1765","","","","","","1.076","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049071","11.236","0.002","8.604","0.001","18.677","0.003","90","","90.1","0.02","90","","1805.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Gd N5 O11 -","- C11 H24 Gd N5 O11 -","- C44 H96 Gd4 N20 O44 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0339","0.0265","","","0.0568","0.0607","","","","","","1.027","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049072","15.505","0.003","17.707","0.003","17.389","0.003","90","","91.97","0.02","90","","4771.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 Gd N7 O13 -","- C15 H32 Gd N7 O13 -","- C120 H256 Gd8 N56 O104 -","8","2","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0575","0.0479","","","0.1284","0.1409","","","","","","1.103","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049073","16.842","0.002","9.267","0.001","16.89","0.002","90","","119.87","0.02","90","","2285.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 Gd N5 O13 -","- C15 H32 Gd N5 O13 -","- C60 H128 Gd4 N20 O52 -","4","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0382","0.0361","","","0.1065","0.1089","","","","","","1.213","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049074","8.392","0.002","16.491","0.004","16.752","0.004","88.53","0.02","83.24","0.02","83.52","0.02","2287.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H67 Lu2 N10 O24 -","- C30 H64 Lu2 N10 O24 -","- C60 H128 Lu4 N20 O48 -","2","1","","Janicki, Rafał; Mondry, Anna","Structural and thermodynamic aspects of hydration of Gd(iii) systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3380","3391","10.1039/c8dt04869j","","","0.71073","MoKα","","0.0489","0.0451","","","0.1225","0.1294","","","","","","1.03","","","","has coordinates","223806","2020-10-21","18:00:00",""
"7049075","7.907","0.0005","15.2244","0.0008","10.2954","0.0007","90","","91.868","0.002","90","","1238.69","0.13","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O6 Zn -","- C10 H10 N2 O6 Zn -","- C40 H40 N8 O24 Zn4 -","4","1","","Ochi, Rika; Noro, Shin-Ichiro; Kubo, Kazuya; Nakamura, Takayoshi","A Zn(ii) metal-organic framework with dinuclear [Zn<sub>2</sub>(N-oxide)<sub>2</sub>] secondary building units.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6314","6318","10.1039/c8dt04879g","","x-ray","0.71075","MoKα","","0.0331","0.0259","","","0.0644","0.0703","","","","","","1.101","","","","has coordinates","224167","2020-10-21","18:00:00",""
"7049076","13.964","0.003","10.539","0.002","12.351","0.003","90","","109.96","0.03","90","","1708.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 O13 S Y3 -","- C7 H13 O13 S Y3 -","- C28 H52 O52 S4 Y12 -","4","1","","Yapryntsev, Alexey; Abdusatorov, Bakhodur; Yakushev, Ilya; Svetogorov, Roman; Gavrikov, Andrey; Rodina, Anfisa; Fatyushina, Yelena; Baranchikov, Alexander; Zubavichus, Yan; Ivanov, Vladimir","Eu-Doped layered yttrium hydroxides sensitized by a series of benzenedicarboxylate and sulphobenzoate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6111","6122","10.1039/c9dt00390h","","","0.80246","synchrotron","","0.0426","0.041","","","0.1089","0.1104","","","","","","1.06","","","","has coordinates,has disorder","224400","2020-10-21","18:00:00",""
"7049077","8.4032","0.0002","9.4225","0.0003","17.6335","0.0005","90","","96.235","0.003","90","","1387.95","0.07","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","benzyldi(2-pyridyl)amine","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0724","0.0504","","","0.1238","0.1376","","","","","","1.07","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049078","22.0099","0.0004","11.6891","0.0002","18.0292","0.0003","90","","120.927","0.001","90","","3978.99","0.13","170","","170","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Bis(2-iodobenzyldi(2-pyridyl)amine)platinum(II) triflate","","- C36 H28 F6 I2 N6 O6 Pt S2 -","- C36 H28 F6 I2 N6 O6 Pt S2 -","- C144 H112 F24 I8 N24 O24 Pt4 S8 -","4","0.5","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0466","0.0346","","","0.0637","0.0673","","","","","","1.167","","","","has coordinates,has disorder","223810","2020-10-21","18:00:00",""
"7049079","10.4865","0.0003","11.5093","0.0004","12.7272","0.0004","106.364","0.001","90.718","0.002","98.779","0.002","1454.08","0.08","170","","170","","","","","","","","","4","P -1","-P 1","2","","2-nitrobenzyldi(2-pyridyl)amine","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C68 H56 N16 O8 -","4","2","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","x-ray","0.71073","MoKα","","0.0856","0.0576","","","0.1251","0.1413","","","","","","1.036","","","","has coordinates,has disorder","223810","2020-10-21","18:00:00",""
"7049080","9.2074","0.0005","9.2379","0.0005","12.4613","0.0008","75.88","0.004","77.716","0.003","66.204","0.003","932.67","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","benzyldi(2-pyridyl)aminediiodoplatinum(II)","","- C17 H15 I2 N3 Pt -","- C17 H15 I2 N3 Pt -","- C34 H30 I4 N6 Pt2 -","2","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0353","0.0275","","","0.0571","0.0605","","","","","","1.072","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049081","10.1702","0.0003","15.1631","0.0007","10.899","0.0004","90","","115.434","0.002","90","","1517.86","0.1","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-iodobenzyldi(2-pyridyl)amine","","- C17 H14 I N3 -","- C17 H14 I N3 -","- C68 H56 I4 N12 -","4","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0469","0.0369","","","0.0783","0.0835","","","","","","1.115","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049082","16.675","0.001","14.4166","0.0004","15.3498","0.0005","90","","90","","90","","3690","0.3","120","0.1","120","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-nitrobenzyldi(2-pyridyl)amine)platinum(II) triflate","","- C34 H36 Br2 N8 O8 Pt -","- C34 H36 Br2 N8 O8 Pt -","- C136 H144 Br8 N32 O32 Pt4 -","4","0.5","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","x-ray","0.71073","MoKα","","0.0715","0.0349","","","0.0663","0.078","","","","","","1.049","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049083","23.5841","0.001","10.0509","0.0003","18.4827","0.0007","90","","120.93","0.001","90","","3758.1","0.2","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(benzyldi(2-pyridyl)amine)platinum(II) triflate","","- C36 H30 F6 N6 O6 Pt S2 -","- C36 H30 F6 N6 O6 Pt S2 -","- C144 H120 F24 N24 O24 Pt4 S8 -","4","0.5","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0563","0.0353","","","0.0669","0.0757","","","","","","1.067","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049084","8.9848","0.0004","17.1114","0.0008","13.3644","0.0005","90","","103.754","0.004","90","","1995.76","0.15","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-iodobenzyldi(2-pyridyl)aminediiodoplatinum(II)","","- C17 H14 I3 N3 Pt -","- C17 H14 I3 N3 Pt -","- C68 H56 I12 N12 Pt4 -","4","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0575","0.0443","","","0.0808","0.0851","","","","","","1.177","","","","has coordinates,has disorder","223810","2020-10-21","18:00:00",""
"7049085","8.9668","0.0003","9.5673","0.0002","12.7115","0.0004","70.928","0.001","88.474","0.001","76.13","0.002","999","0.05","170","2","170.15","","","","","","","","","7","P -1","-P 1","2","","Bis(2-cyanobenzyldi(2-pyridyl)amine)platinum(II) triflate","","- C38 H32 F6 N8 O8 Pt S2 -","- C38 H32 F6 N8 O8 Pt S2 -","- C38 H32 F6 N8 O8 Pt S2 -","1","0.5","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","0.71073","MoKα","","0.0194","0.0193","","","0.0451","0.0451","","","","","","1.071","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049086","13.1641","0.0006","15.8672","0.0007","17.2994","0.0007","90","","90","","90","","3613.5","0.3","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-cyanobenzyldi(2-pyridyl)aminedibromoplatinum(II)","","- C18 H14 Br2 N4 Pt -","- C18 H14 Br2 N4 Pt -","- C144 H112 Br16 N32 Pt8 -","8","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","x-ray","0.71073","MoKα","","0.0496","0.0289","","","0.0411","0.0462","","","","","","0.98","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049087","10.2152","0.0007","10.348","0.0004","10.5475","0.0006","78.053","0.004","73.245","0.005","67.65","0.005","981.42","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","2-nitrobenzyldi(2-pyridyl)aminediiodoplatinum(II)","","- C17 H14 I2 N4 O2 Pt -","- C17 H14 I2 N4 O2 Pt -","- C34 H28 I4 N8 O4 Pt2 -","2","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","x-ray","1.54184","CuKα","","0.0464","0.0385","","","0.0958","0.1014","","","","","","1.032","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049088","8.2363","0.00004","14.82926","0.0001","18.24598","0.00011","90","","91.5826","0.0005","90","","2227.68","0.02","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N5 O4 -","- C24 H20 Br N5 O4 -","- C96 H80 Br4 N20 O16 -","4","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","1.54184","CuKα","","0.0259","0.0253","","","0.0655","0.0659","","","","","","1.047","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049089","3.6845","0.0002","14.3789","0.0007","11.429","0.0005","90","","95.99","0.005","90","","602.19","0.05","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-2,2?-dinitrostilbene","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C28 H20 N4 O8 -","2","0.5","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","","1.54184","CuKα","","0.0505","0.0445","","","0.1142","0.1229","","","","","","1.09","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049090","13.2058","0.0008","17.3404","0.0011","22.4899","0.0014","107.115","0.002","93.834","0.002","100.549","0.002","4798.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H87.5 B2 F40 Mg2 N10 Si4 -","- C81.5 H87.5 B2 F40 Mg2 N10 Si4 -","- C163 H175 B4 F80 Mg4 N20 Si8 -","2","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.1283","0.0795","","","0.2082","0.2559","","","","","","1.018","","","","has coordinates,has disorder","224444","2020-10-21","18:00:00",""
"7049091","10.5343","0.0011","14.0892","0.0017","15.586","0.0018","93.66","0.006","97.234","0.006","96.484","0.006","2273","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H39 B F20 Mg N4 O Si -","- C39 H39 B F20 Mg N4 O Si -","- C78 H78 B2 F40 Mg2 N8 O2 Si2 -","2","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.1616","0.0569","","","0.1176","0.1572","","","","","","0.996","","","","has coordinates","224444","2020-10-21","18:00:00",""
"7049092","11.9893","0.0019","13.535","0.002","20.255","0.003","71.58","0.005","72.955","0.005","81.082","0.005","2974.4","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H60 B F24 Mg N5 Si2 -","- C50 H60 B F24 Mg N5 Si2 -","- C100 H120 B2 F48 Mg2 N10 Si4 -","2","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.1304","0.0624","","","0.1281","0.1602","","","","","","1.009","","","","has coordinates","224444","2020-10-21","18:00:00",""
"7049093","15.9642","0.0006","18.7235","0.0008","17.2584","0.0007","90","","99.574","0.001","90","","5086.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 B Cl8 Mg N5 Si2 -","- C42 H60 B Cl8 Mg N5 Si2 -","- C168 H240 B4 Cl32 Mg4 N20 Si8 -","4","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.0624","0.0408","","","0.0931","0.106","","","","","","1.029","","","","has coordinates","224444","2020-10-21","18:00:00",""
"7049094","12.9003","0.0004","13.2308","0.0004","13.5186","0.0004","86.834","0.002","70.336","0.001","88.059","0.002","2169.21","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H94 B2 Cl16 Mg2 N8 O3 -","- C76 H94 B2 Cl16 Mg2 N8 O3 -","- C76 H94 B2 Cl16 Mg2 N8 O3 -","1","0.5","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.0673","0.0417","","","0.1039","0.115","","","","","","0.983","","","","has coordinates,has disorder","224444","2020-10-21","18:00:00",""
"7049095","12.507","0.002","12.918","0.002","13.134","0.002","102.231","0.007","105.328","0.007","103.876","0.007","1899","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 B2 Cl16 Mg O6 -","- C72 H72 B2 Cl16 Mg O6 -","- C72 H72 B2 Cl16 Mg O6 -","1","0.5","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.0966","0.0511","","","0.1272","0.1469","","","","","","0.979","","","","has coordinates","224444","2020-10-21","18:00:00",""
"7049096","17.9339","0.0014","12.3687","0.0009","24.6","0.0019","90","","93.48","0.002","90","","5446.7","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 B Cl8 K N4 O3 -","- C48 H64.365 B Cl8 K N4 O3 -","- C192 H257.46 B4 Cl32 K4 N16 O12 -","4","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay","Amidomagnesium cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7313","7319","10.1039/c8dt05095c","","","0.71073","MoKα","","0.208","0.1354","","","0.3875","0.4385","","","","","","1.495","","","","has coordinates,has disorder","224444","2020-10-21","18:00:00",""
"7049097","17.0701","0.0018","24.879","0.002","5.8722","0.0006","90","","90","","90","","2493.8","0.4","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C33 H27 Cl -","- C33 H27 Cl -","- C132 H108 Cl4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0606","0.0467","","","0.1072","0.1144","","","","","","1.081","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049098","17.1693","0.0012","24.7652","0.0015","5.5609","0.0004","90","","90","","90","","2364.5","0.3","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C33 H27 F -","- C33 H27 F -","- C132 H108 F4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0772","0.0482","","","0.1089","0.1261","","","","","","1.027","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049099","34.4941","0.001","8.2825","0.0002","17.2074","0.0005","90","","90","","90","","4916.1","0.2","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","PH2[2,6-{CH(C6H4tBu)2}-4-Me-C6H2","","- C33 H29 P -","- C33 H29 P -","- C264 H232 P8 -","8","1","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","1.54184","CuKα","","0.0477","0.0337","","","0.0759","0.0829","","","","","","1.032","","","","has coordinates,has disorder","224530","2020-10-21","18:00:00",""
"7049100","11.2059","0.0005","19.1823","0.0009","14.8511","0.0006","90","","105.67","0.002","90","","3073.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl1.63 I0.37 P -","- C36 H33 Cl1.6352 I0.3648 P -","- C144 H132 Cl6.5408 I1.4592 P4 -","4","1","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0866","0.0712","","","0.1481","0.154","","","","","","1.266","","","","has coordinates,has disorder","224530","2020-10-21","18:00:00",""
"7049101","9.5535","0.0009","12.4822","0.0012","13.5312","0.0013","104.561","0.004","106.008","0.004","109.385","0.004","1354.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl1.77 I0.23 Sb -","- C33 H27 Cl1.7742 I0.2258 Sb -","- C66 H54 Cl3.5484 I0.4516 Sb2 -","2","1","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0527","0.0363","","","0.07","0.0765","","","","","","1.058","","","","has coordinates,has disorder","224530","2020-10-21","18:00:00",""
"7049102","9.5977","0.001","11.6939","0.0011","22.47","0.002","90","","94.856","0.004","90","","2512.9","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 I -","- C33 H27 I -","- C132 H108 I4 -","4","1","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0439","0.0366","","","0.096","0.0994","","","","","","1.104","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049103","10.4208","0.0005","14.028","0.0007","20.0898","0.001","71.795","0.005","81.683","0.004","77.745","0.004","2716.5","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl1.52 I0.48 P -","- C33 H27 Cl1.52 I0.48 P -","- C132 H108 Cl6.08 I1.92 P4 -","4","2","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","x-ray","1.54184","CuKα","","0.0689","0.0498","","","0.1165","0.128","","","","","","1.049","","","","has coordinates,has disorder","224530","2020-10-21","18:00:00",""
"7049104","18.868","0.004","24.821","0.005","5.9471","0.0012","90","","90","","90","","2785.2","1","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H35 P -","- C36 H36 P -","- C144 H144 P4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.0611","0.0532","","","0.1368","0.1424","","","","","","1.134","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049105","19.007","0.0019","24.84","0.002","5.9476","0.0006","90","","90","","90","","2808.1","0.5","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C36 H33 I -","- C36 H34 I -","- C144 H136 I4 -","4","0.5","","Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander","Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3786","3794","10.1039/c9dt00399a","","","0.71073","MoKα","","0.05","0.047","","","0.097","0.0982","","","","","","1.303","","","","has coordinates","224530","2020-10-21","18:00:00",""
"7049106","9.5546","0.001","17.1029","0.0015","13.375","0.0015","90","","100","0.01","90","","2152.4","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Ni P -","- C22 H36 Ni P -","- C88 H144 Ni4 P4 -","4","1","","Moser, Emile; Jeanneau, Erwann; Mézailles, Nicolas; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R","Simplified and versatile access to low valent Ni complexes by metal-free reduction of Ni<sup>II</sup> precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4101","4104","10.1039/c9dt00668k","","x-ray","0.71073","MoKα","","0.0769","0.0594","","0.138","0.1096","0.138","","","","","","1.0091","","","","has coordinates","224278","2020-10-21","18:00:00",""
"7049107","9.745","0.008","11.1357","0.0011","11.7289","0.0011","64.563","0.009","81.647","0.007","80.817","0.007","1130.5","0.9","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H41 Ni O P Si2 -","- C18 H41 Ni O P Si2 -","- C36 H82 Ni2 O2 P2 Si4 -","2","1","","Moser, Emile; Jeanneau, Erwann; Mézailles, Nicolas; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R","Simplified and versatile access to low valent Ni complexes by metal-free reduction of Ni<sup>II</sup> precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4101","4104","10.1039/c9dt00668k","","x-ray","0.71073","MoKα","","0.0631","0.0416","","0.0752","0.0605","0.0752","","","","","","0.9966","","","","has coordinates","224278","2020-10-21","18:00:00",""
"7049108","8.1636","0.0005","11.834","0.0008","15.8029","0.0014","70.886","0.007","89.23","0.006","79.109","0.005","1414.61","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 N5 O17 P4 Zn3 -","- C16 H21 N5 O17 P4 Zn3 -","- C32 H42 N10 O34 P8 Zn6 -","2","1","","Liu, Hao-Hao; Ma, Yu-Juan; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Zinc-diphosphonates with extended dipyridine units: synthesis, structures, in situ reactions, and photochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3955","3961","10.1039/c9dt00081j","","","0.71073","MoKα","","0.0518","0.0362","","","0.087","0.0937","","","","","","1.06","","","","has coordinates","224572","2020-10-21","18:00:00",""
"7049109","5.4607","0.0003","8.5135","0.0005","18.0158","0.0011","87.678","0.001","82.172","0.001","81.03","0.001","819.44","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H14 N O9 P2 Zn2 -","- C10 H12 N O8 P2 Zn2 -","- C20 H24 N2 O16 P4 Zn4 -","2","1","","Liu, Hao-Hao; Ma, Yu-Juan; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Zinc-diphosphonates with extended dipyridine units: synthesis, structures, in situ reactions, and photochromism.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3955","3961","10.1039/c9dt00081j","","","0.71073","MoKα","","0.027","0.0212","","","0.0559","0.0581","","","","","","1.014","","","","has coordinates","224572","2020-10-21","18:00:00",""
"7049110","7.6877","0.0002","8.3778","0.0003","14.7178","0.0004","90","","94.275","0.002","90","","945.28","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl2 Ge2 O2 S2 Sn0 -","- C12 H22 Cl2 Ge2 O2 S2 -","- C24 H44 Cl4 Ge4 O4 S4 -","2","0.5","","Dornsiepen, Eike; Dehnen, Stefanie","Dinuclear organogermanium chalcogenide complexes as intermediates towards functionalized clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3671","3675","10.1039/c9dt00310j","","","0.71073","MoKα","","0.0351","0.0283","","","0.0456","0.0478","","","","","","1.058","","","","has coordinates,has disorder","224543","2020-10-21","18:00:00",""
"7049111","8.2073","0.0003","11.4851","0.0004","10.9961","0.0004","90","","104.5","0.003","90","","1003.5","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl2 Ge2 O2 Te2 -","- C12 H22 Cl2 Ge2 O2 Te2 -","- C24 H44 Cl4 Ge4 O4 Te4 -","2","0.5","","Dornsiepen, Eike; Dehnen, Stefanie","Dinuclear organogermanium chalcogenide complexes as intermediates towards functionalized clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3671","3675","10.1039/c9dt00310j","","","1.54178","CuKα","","0.0563","0.0515","","","0.1492","0.1608","","","","","","1.116","","","","has coordinates","224543","2020-10-21","18:00:00",""
"7049112","8.1795","0.0005","11.2847","0.0006","10.6812","0.0006","90","","104.226","0.005","90","","955.68","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl2 Ge2 O2 Se2 -","- C12 H22 Cl2 Ge2 O2 Se2 -","- C24 H44 Cl4 Ge4 O4 Se4 -","2","0.5","","Dornsiepen, Eike; Dehnen, Stefanie","Dinuclear organogermanium chalcogenide complexes as intermediates towards functionalized clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3671","3675","10.1039/c9dt00310j","","","0.71073","MoKα","","0.0281","0.0236","","","0.0544","0.0557","","","","","","1.07","","","","has coordinates","224543","2020-10-21","18:00:00",""
"7049113","11.9527","0.0003","11.9527","0.0003","17.7035","0.0007","90","","90","","90","","2529.25","0.13","173","2","173","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C64 H40 N8 O4 Zn2 -","- C64 H40 N8 O4 Zn2 -","- C128 H80 N16 O8 Zn4 -","2","0.25","","Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais","Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4105","4108","10.1039/c9dt00377k","","","0.71073","MoKα","","0.0809","0.0532","","","0.1285","0.1443","","","","","","1.05","","","","has coordinates","224281","2020-10-21","18:00:00",""
"7049114","9.8321","0.0003","10.7832","0.0003","13.3416","0.0003","103.169","0.001","102.624","0.001","111.822","0.001","1204.51","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 N4 Ni O2 -","- C32 H20 N4 Ni O2 -","- C64 H40 N8 Ni2 O4 -","2","1","","Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais","Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4105","4108","10.1039/c9dt00377k","","","0.71073","MoKα","","0.0628","0.0416","","","0.0946","0.1051","","","","","","1.03","","","","has coordinates","224281","2020-10-21","18:00:00",""
"7049115","11.4063","0.0004","9.7778","0.0003","13.4576","0.0004","90","","94.785","0.001","90","","1495.68","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 Cl3 N4 O2 -","- C33 H23 Cl3 N4 O2 -","- C66 H46 Cl6 N8 O4 -","2","0.5","","Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais","Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4105","4108","10.1039/c9dt00377k","","","0.71073","MoKα","","0.0802","0.0701","","","0.1929","0.2026","","","","","","1.039","","","","has coordinates,has disorder","224281","2020-10-21","18:00:00",""
"7049116","9.7819","0.0002","11.6608","0.0003","12.9613","0.0003","110.897","0.001","98.893","0.001","111.052","0.001","1219.34","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 N4 Ni O2 -","- C32 H22 N4 Ni O2 -","- C64 H44 N8 Ni2 O4 -","2","1","","Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais","Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4105","4108","10.1039/c9dt00377k","","","0.71073","MoKα","","0.0396","0.0326","","","0.0768","0.08","","","","","","1.053","","","","has coordinates","224281","2020-10-21","18:00:00",""
"7049117","10.7295","0.0008","12.2235","0.0006","12.573","0.0007","79.434","0.004","73.363","0.005","65.209","0.006","1430.54","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 F24 N16 P4 Rh2 -","- C42 H40 F24 N16 P4 Rh2 -","- C42 H40 F24 N16 P4 Rh2 -","1","0.5","","Yi, Xiaofei; Liu, Bin; Chen, Kai; Chen, Wei; Chen, Wanzhi","Unbridged Rh(ii)-Rh(ii) complexes of N-heterocyclic carbenes and reactions with O<sub>2</sub> to form dirhodium(μ-η<sup>1</sup>:η<sup>1</sup>-O<sub>2</sub>) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3835","3839","10.1039/c9dt00421a","","","0.71073","MoKα","","0.0635","0.0519","","","0.1294","0.1424","","","","","","1.055","","","","has coordinates","224568","2020-10-21","18:00:00",""
"7049118","19.0638","0.0006","15.4706","0.0005","26.2772","0.0009","90","","103.647","0.003","90","","7531.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H59 F24 N19 O P4 Rh2 -","- C52 H59 F24 N19 O P4 Rh2 -","- C208 H236 F96 N76 O4 P16 Rh8 -","4","1","","Yi, Xiaofei; Liu, Bin; Chen, Kai; Chen, Wei; Chen, Wanzhi","Unbridged Rh(ii)-Rh(ii) complexes of N-heterocyclic carbenes and reactions with O<sub>2</sub> to form dirhodium(μ-η<sup>1</sup>:η<sup>1</sup>-O<sub>2</sub>) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3835","3839","10.1039/c9dt00421a","","","0.71073","MoKα","","0.1063","0.071","","","0.186","0.2198","","","","","","1.034","","","","has coordinates","224568","2020-10-21","18:00:00",""
"7049119","14.0615","0.0004","12.6084","0.0003","24.0897","0.0007","90","","95.831","0.003","90","","4248.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H70 F24 N16 O2 P6 Rh2 -","- C78 H70 F24 N16 O2 P6 Rh2 -","- C156 H140 F48 N32 O4 P12 Rh4 -","2","0.5","","Yi, Xiaofei; Liu, Bin; Chen, Kai; Chen, Wei; Chen, Wanzhi","Unbridged Rh(ii)-Rh(ii) complexes of N-heterocyclic carbenes and reactions with O<sub>2</sub> to form dirhodium(μ-η<sup>1</sup>:η<sup>1</sup>-O<sub>2</sub>) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3835","3839","10.1039/c9dt00421a","","","0.71073","MoKα","","0.0659","0.0516","","","0.1206","0.1327","","","","","","1.032","","","","has coordinates","224568","2020-10-21","18:00:00",""
"7049120","11.146","0.003","12.035","0.003","12.88","0.003","79.125","0.018","69.88","0.02","65.98","0.02","1479.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 F24 N16 O2 P4 Rh2 -","- C42 H40 F24 N16 O2 P4 Rh2 -","- C42 H40 F24 N16 O2 P4 Rh2 -","1","0.5","","Yi, Xiaofei; Liu, Bin; Chen, Kai; Chen, Wei; Chen, Wanzhi","Unbridged Rh(ii)-Rh(ii) complexes of N-heterocyclic carbenes and reactions with O<sub>2</sub> to form dirhodium(μ-η<sup>1</sup>:η<sup>1</sup>-O<sub>2</sub>) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3835","3839","10.1039/c9dt00421a","","","0.71073","MoKα","","0.0895","0.063","","","0.1426","0.1652","","","","","","1.013","","","","has coordinates","224568","2020-10-21","18:00:00",""
"7049121","13.1037","0.0015","14.8822","0.0017","15.3583","0.0011","104.336","0.008","111.184","0.009","106.435","0.01","2465.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H110 F24 N14 O3 P6 Rh2 -","- C78 H110 F24 N14 O3 P6 Rh2 -","- C78 H110 F24 N14 O3 P6 Rh2 -","1","0.5","","Yi, Xiaofei; Liu, Bin; Chen, Kai; Chen, Wei; Chen, Wanzhi","Unbridged Rh(ii)-Rh(ii) complexes of N-heterocyclic carbenes and reactions with O<sub>2</sub> to form dirhodium(μ-η<sup>1</sup>:η<sup>1</sup>-O<sub>2</sub>) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3835","3839","10.1039/c9dt00421a","","","0.71073","MoKα","","0.0659","0.0512","","","0.1314","0.1456","","","","","","1.056","","","","has coordinates","224568","2020-10-21","18:00:00",""
"7049122","14.851","0.004","13.856","0.003","9.599","0.002","90","","90","","90","","1975.2","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Br N2 P -","- C18 H26 Br N2 P -","- C72 H104 Br4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0208","0.0198","","","0.0509","0.0513","","","","","","1.071","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049123","9.602","0.01","15.137","0.015","13.562","0.015","90","","92.026","0.019","90","","1970","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","2","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.032","0.0279","","","0.0578","0.0595","","","","","","1.011","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049124","14.82","0.003","13.479","0.003","9.4805","0.0017","90","","90","","90","","1893.8","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Cl N2 P -","- C18 H26 Cl N2 P -","- C72 H104 Cl4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0473","0.0414","","","0.113","0.1175","","","","","","1.041","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049125","15.2497","0.0015","9.0129","0.0009","14.6473","0.0015","90","","102.343","0.002","90","","1966.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0202","0.0194","","","0.0424","0.0426","","","","","","1.068","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049126","14.966","0.006","13.906","0.006","9.583","0.004","90","","90","","90","","1994.4","1.4","373","2","373","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Br N2 P -","- C18 H26 Br N2 P -","- C72 H104 Br4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0779","0.0461","","","0.1091","0.1303","","","","","","1.029","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049127","9.6471","0.0013","15.345","0.002","13.77","0.002","90","","92.161","0.003","90","","2037","0.5","373","2","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","2","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0756","0.0432","","","0.0919","0.1063","","","","","","1.02","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049128","14.976","0.008","13.602","0.006","9.504","0.005","90","","90","","90","","1936","1.7","373","2","373","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Cl N2 P -","- C18 H26 Cl N2 P -","- C72 H104 Cl4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0524","0.0414","","","0.1092","0.1177","","","","","","1.021","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049129","15.3375","0.0017","9.1435","0.001","14.7606","0.0017","90","","102.476","0.003","90","","2021.1","0.4","373","2","373","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H26 I N2 P -","- C18 H26 I N2 P -","- C72 H104 I4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0489","0.0385","","","0.0936","0.1","","","","","","1.042","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049130","11.516","0.002","14.372","0.003","18.06","0.004","90","","90","","90","","2989.1","1","181","2","181","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 N O5.5 -","- C37 H33 N O5.5 -","- C148 H132 N4 O22 -","4","1","","Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold","Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3893","3905","10.1039/c9dt00292h","","","0.71073","MoKα","","0.0462","0.0317","","","0.0757","0.0822","","","","","","0.627","","","","has coordinates","224576","2020-10-21","18:00:00",""
"7049131","22.6899","0.0005","25.2258","0.0005","26.5373","0.0005","90","","90","","90","","15189.2","0.5","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C86 H84 N6 O10 Sm2 -","- C86 H84 N6 O10 Sm2 -","- C688 H672 N48 O80 Sm16 -","8","1","","Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold","Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3893","3905","10.1039/c9dt00292h","","","0.71073","MoKα","","0.0548","0.0416","","","0.1137","0.1208","","","","","","1.12","","","","has coordinates","224576","2020-10-21","18:00:00",""
"7049132","22.7767","0.0008","25.1415","0.0011","26.5012","0.001","90","","90","","90","","15175.7","1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C86 H84 Gd2 N6 O10 -","- C86 H84 Gd2 N6 O10 -","- C688 H672 Gd16 N48 O80 -","8","1","","Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold","Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3893","3905","10.1039/c9dt00292h","","","0.71073","MoKα","","0.0848","0.0485","","","0.116","0.1325","","","","","","0.876","","","","has coordinates","224576","2020-10-21","18:00:00",""
"7049133","13.7555","0.0004","14.1948","0.0004","14.2099","0.0006","100.095","0.0018","118.945","0.0011","106.616","0.0014","2157.7","0.14","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu F6 N4 O4 P -","- C52 H40 Cu F6 N4 O4 P -","- C104 H80 Cu2 F12 N8 O8 P2 -","2","1","","Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C.","Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7290","7301","10.1039/c8dt04116d","","x-ray","1.54178","CuKα","","0.0451","0.0368","","","0.0922","0.0969","","","","","","1.042","","","","has coordinates,has disorder","224458","2020-10-21","18:00:00",""
"7049134","15.3534","0.0007","25.1829","0.0012","13.9516","0.0007","90","","116.879","0.001","90","","4811.5","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H31 Cu F18 N5 P -","- C54 H31 Cu F18 N5 P -","- C216 H124 Cu4 F72 N20 P4 -","4","0.5","","Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C.","Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7290","7301","10.1039/c8dt04116d","","","1.54178","CuKα","","0.0444","0.0368","","","0.0804","0.0838","","","","","","1.101","","","","has coordinates,has disorder","224458","2020-10-21","18:00:00",""
"7049135","24.792","0.003","18.9","0.002","15.4325","0.0013","90","","108.117","0.008","90","","6872.7","1.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H67 Cu F6 N5 P -","- C86 H67 Cu F6 N5 P -","- C344 H268 Cu4 F24 N20 P4 -","4","0.5","","Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C.","Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7290","7301","10.1039/c8dt04116d","","x-ray","1.54178","CuKα","","0.0672","0.0529","","","0.1331","0.1432","","","","","","1.05","","","","has coordinates,has disorder","224458","2020-10-21","18:00:00",""
"7049136","43.219","0.009","15.561","0.003","26.67","0.005","90","","102.72","0.03","90","","17496","6","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C184 H244 Cu2 F12 N10 O11 P2 -","- C184 H244 Cu2 F12 N10 O11 P2 -","- C736 H976 Cu8 F48 N40 O44 P8 -","4","1","","Nicholls, Thomas P.; Caporale, Chiara; Massi, Massimiliano; Gardiner, Michael G.; Bissember, Alex C.","Synthesis and characterisation of homoleptic 2,9-diaryl-1,10-phenanthroline copper(i) complexes: influencing selectivity in photoredox-catalysed atom-transfer radical addition reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7290","7301","10.1039/c8dt04116d","","","0.71073","synchrotron","","0.1164","0.0721","","","0.201","0.2416","","","","","","1.056","","","","has coordinates,has disorder","224458","2020-10-21","18:00:00",""
"7049137","15.1924","0.0019","62.679","0.01","95.062","0.013","90","","90","","90","","90522","2","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C276 H204 Cl11 Eu4 N36 O68 -","- C276 H204 Cl11 Eu4 N36 O68 -","- C2208 H1632 Cl88 Eu32 N288 O544 -","8","","","Yan, Qianqian; Zhou, Lipeng; Zhou, Haiyue; Wang, Zhuo; Cai, Li-Xuan; Guo, Xiao-Qing; Sun, Xiaoqi; Sun, Qing-Fu","Metallopolymers Cross-Linked with Self-Assembled Ln4L4 Cages","Dalton Transactions","2019","","","","","10.1039/C8DT05015E","","","0.7388","synchrotron","","0.1914","0.1634","","","0.4469","0.4808","","","","","","2.478","","","","has coordinates","213818","2020-10-21","18:00:00",""
"7049138","18.5564","0.0002","17.2237","0.0002","16.5743","0.0002","90","","90","","90","","5297.31","0.11","150","0.1","150","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C25 H20 N6 O5 S2 Zn -","- C25 H20 N6 O5 S2 Zn -","- C200 H160 N48 O40 S16 Zn8 -","8","1","","Zhai, Zhi-Wei; Yang, Shuang-Hua; Lv, Ya-Ru; Du, Chen-Xia; Li, Lin-Ke; Zang, Shuang-Quan","Amino functionalized Zn/Cd-metal-organic frameworks for selective CO<sub>2</sub> adsorption and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4007","4014","10.1039/c9dt00391f","","x-ray","1.54184","CuKα","","0.0387","0.0332","","","0.0842","0.087","","","","","","1.043","","","","has coordinates,has disorder","224573","2020-10-21","18:00:00",""
"7049139","13.5652","0.0001","14.4023","0.0001","13.9352","0.0001","90","","100.804","0.001","90","","2674.26","0.03","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cd N6 O5.5 S2 -","- C22 H13 Cd N5 O4 S2 -","- C88 H52 Cd4 N20 O16 S8 -","4","1","","Zhai, Zhi-Wei; Yang, Shuang-Hua; Lv, Ya-Ru; Du, Chen-Xia; Li, Lin-Ke; Zang, Shuang-Quan","Amino functionalized Zn/Cd-metal-organic frameworks for selective CO<sub>2</sub> adsorption and Knoevenagel condensation reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4007","4014","10.1039/c9dt00391f","","x-ray","1.54184","CuKα","","0.0428","0.0397","","","0.112","0.114","","","","","","1.097","","","","has coordinates,has disorder","224573","2020-10-21","18:00:00",""
"7049140","15.2335","0.0001","15.2335","0.0001","12.5157","0.0002","90","","90","","120","","2515.27","0.05","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H54 Cl Co N10 O3 -","- C39 H54 Cl Co N10 O3 -","- C78 H108 Cl2 Co2 N20 O6 -","2","0.333333","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0869","0.0667","","","0.2082","0.2237","","","","","","1.073","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7049141","12.7632","0.001","12.8064","0.001","14.9046","0.0011","75.9","0.004","83.78","0.004","74.5","0.004","2274.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 Cl2 Co N10 O11 -","- C39 H54 Cl2 Co N10 O11 -","- C78 H108 Cl4 Co2 N20 O22 -","2","1","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0679","0.0425","","","0.0841","0.094","","","","","","1.023","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7049142","15.5579","0.0015","15.5579","0.0015","12.1716","0.0017","90","","90","","120","","2551.4","0.5","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H54 Br Co N10 O3 -","- C39 H54 Br Co N10 O3 -","- C78 H108 Br2 Co2 N20 O6 -","2","0.333333","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0677","0.0556","","","0.1965","0.2006","","","","","","1.157","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7049143","15.8091","0.0007","15.8091","0.0007","12.0675","0.001","90","","90","","120","","2611.9","0.3","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H54 Co I N10 O3 -","- C39 H54 Co I N10 O3 -","- C78 H108 Co2 I2 N20 O6 -","2","0.333333","","Klug, Christina M.; Ozumerzifon, Tarik J.; Bhowmick, Indrani; Livesay, Brooke N.; Rappé, Anthony K; Shores, Matthew P.","Anionic guest-dependent slow magnetic relaxation in Co(ii) tripodal iminopyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9117","9126","10.1039/c9dt00739c","","","0.71073","MoKα","","0.0454","0.0348","","","0.0984","0.1026","","","","","","1.086","","","","has coordinates","224207","2020-10-21","18:00:00",""
"7049144","10.7529","0.0001","12.9488","0.0001","26.8741","0.0002","90","","94.3816","0.0007","90","","3730.94","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Al B N2 -","- C39 H62 Al B N2 -","- C156 H248 Al4 B4 N8 -","4","1","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.5418","CuKα","","0.0438","0.0409","","0.1074","0.1049","0.1074","","","","","","0.9772","","","","has coordinates,has disorder","223743","2020-10-21","18:00:00",""
"7049145","8.9708","0.0003","19.9599","0.0006","10.2247","0.0003","90","","108.937","0.003","90","","1731.71","0.1","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C37 H58 Al B N2 -","- C37 H58 Al B N2 -","- C74 H116 Al2 B2 N4 -","2","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.5418","CuKα","","0.0435","0.0387","","0.1039","0.0995","0.1039","","","","","","0.926","","","","has coordinates","223743","2020-10-21","18:00:00",""
"7049146","9.0194","0.0001","21.1266","0.0003","10.7665","0.0002","90","","113.865","0.002","90","","1876.14","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C39 H64 Al B N4 -","- C39 H64 Al B N4 -","- C78 H128 Al2 B2 N8 -","2","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.54184","CuKα","","0.04","0.0371","","","0.0934","0.0963","","","","","","1.048","","","","has coordinates","223743","2020-10-21","18:00:00",""
"7049147","10.193","0.002","25.619","0.005","19.416","0.004","90","","90","","90","","5070.2","1.7","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C52 H73 Al B F3 N2 O3 S -","- C52 H73 Al B F3 N2 O3 S -","- C208 H292 Al4 B4 F12 N8 O12 S4 -","4","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","0.71073","MoKα","","0.095","0.0638","","","0.1664","0.1868","","","","","","1.01","","","","has coordinates,has disorder","223743","2020-10-21","18:00:00",""
"7049148","19.0779","0.0005","11.5597","0.0003","39.5676","0.0009","90","","100.891","0.003","90","","8568.9","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44.5 H72 Al B N4 -","- C44.5 H72 Al B N4 -","- C356 H576 Al8 B8 N32 -","8","1","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.54184","CuKα","","0.0837","0.0677","","","0.1917","0.21","","","","","","1.046","","","","has coordinates,has disorder","223743","2020-10-21","18:00:00",""
"7049149","9.1574","0.0018","20.084","0.004","10.311","0.002","90","","109.98","0.03","90","","1782.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H60 Al B N2 -","- C38 H60 Al B N2 -","- C76 H120 Al2 B2 N4 -","2","0.5","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","0.71073","MoKα","","0.0692","0.0484","","","0.1218","0.1339","","","","","","1.056","","","","has coordinates","223743","2020-10-21","18:00:00",""
"7049150","8.1735","0.0018","5.9868","0.0013","5.9637","0.0014","90","","90.287","0.006","90","","291.82","0.11","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 F4 Mn N2 -","- C2 H10 F4 Mn N2 -","- C4 H20 F8 Mn2 N4 -","2","0.5","","Li, Teng; Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Slawin, Alexandra M. Z.; Lightfoot, Philip","A hybrid fluoride layered perovskite, (enH<sub>2</sub>)MnF<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4784","4787","10.1039/c9dt00757a","","","0.71075","MoKα","","0.0142","0.0141","","","0.0409","0.041","","","","","","1.123","","","","has coordinates","224389","2020-10-21","18:00:00",""
"7049151","8.1634","0.0007","5.9917","0.0005","5.9622","0.0005","90","","89.937","0.011","90","","291.63","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 F4 Mn N2 -","- C2 H10 F4 Mn N2 -","- C4 H20 F8 Mn2 N4 -","2","0.5","","Li, Teng; Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Slawin, Alexandra M. Z.; Lightfoot, Philip","A hybrid fluoride layered perovskite, (enH<sub>2</sub>)MnF<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4784","4787","10.1039/c9dt00757a","","","0.71075","MoKα","","0.0209","0.0202","","","0.047","0.0473","","","","","","0.995","","","","has coordinates","224389","2020-10-21","18:00:00",""
"7049152","8.1632","0.0007","6.0028","0.0005","5.9759","0.0005","90","","90.183","0.013","90","","292.83","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 F4 Mn N2 -","- C2 H10 F4 Mn N2 -","- C4 H20 F8 Mn2 N4 -","2","0.5","","Li, Teng; Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Slawin, Alexandra M. Z.; Lightfoot, Philip","A hybrid fluoride layered perovskite, (enH<sub>2</sub>)MnF<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4784","4787","10.1039/c9dt00757a","","","0.71075","MoKα","","0.0373","0.0338","","","0.0847","0.0859","","","","","","1.048","","","","has coordinates","224389","2020-10-21","18:00:00",""
"7049153","8.8806","0.0004","10.5584","0.0004","12.7712","0.0005","94.479","0.001","91.398","0.001","94.67","0.001","1189.3","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H39 Cl Ir N O Si -","- C22 H39 Cl Ir N O Si -","- C44 H78 Cl2 Ir2 N2 O2 Si2 -","2","1","","Guzmán, Jefferson; Bernal, Ana M.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.; Fernández-Alvarez, Francisco J","Selective reduction of formamides to O-silylated hemiaminals or methylamines with HSiMe<sub>2</sub>Ph catalyzed by iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4255","4262","10.1039/c8dt05070h","","","0.71073","MoKα","","0.0182","0.0172","","","0.0398","0.0404","","","","","","1.101","","","","has coordinates","224273","2020-10-21","18:00:00",""
"7049154","14.164","0.0011","14.4132","0.0011","18.4865","0.0014","108.161","0.003","91.379","0.003","110.604","0.003","3318.4","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H98 Cr N O4 -","- C70 H92 Cr N O4 -","- C140 H184 Cr2 N2 O8 -","2","1","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.71073","MoKα","","0.0555","0.0499","","","0.1315","0.1369","","","","","","1.031","","","","has coordinates,has disorder","213865","2020-10-21","18:00:00",""
"7049155","37.206","0.007","14.294","0.003","24.65","0.005","90","","95.33","0.03","90","","13053","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H92 N O4 V -","- C70 H92 N O4 V -","- C560 H736 N8 O32 V8 -","8","1","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.7","synchrotron","","0.0901","0.0862","","","0.2447","0.2498","","","","","","1.057","","","","has coordinates,has disorder","213865","2020-10-21","18:00:00",""
"7049156","23.4039","0.0002","23.4039","0.0002","24.9083","0.0005","90","","90","","120","","11815.5","0.3","100","","100","","","","","","","","","5","R -3","-R 3","148","","","","- C90 H112 N O4 Ti -","- C89.9997 H111.999 N O3.9999 Ti -","- C539.998 H671.996 N6 O23.9994 Ti6 -","6","","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.71073","MoKα","","0.1242","0.0784","","","0.2231","0.2617","","","","","","1.059","","","","has coordinates,has disorder","213865","2020-10-21","18:00:00",""
"7049157","22.089","0.004","9.862","0.002","27.858","0.006","90","","93.81","0.03","90","","6055","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H95 N O4 -","- C70 H95 N O4 -","- C280 H380 N4 O16 -","4","1","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.7","synchrotron","","0.0945","0.0621","","","0.1976","0.2247","","","","","","0.792","","","","has coordinates","213865","2020-10-21","18:00:00",""
"7049158","18.612","0.004","27.311","0.006","30.616","0.006","90","","90","","90","","15562","6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H99.06 Mn N Na2 O6 -","- C75 H99.054 Mn N Na2 O6 -","- C600 H792.432 Mn8 N8 Na16 O48 -","8","1","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.7","synchrotron","","0.1038","0.0682","","","0.2089","0.2275","","","","","","1.066","","","","has coordinates,has disorder","213865","2020-10-21","18:00:00",""
"7049159","37.65","0.003","9.272","0.002","20.135","0.003","90","","96.852","0.002","90","","6978.7","1.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H120 Ir4 N16 O10 -","- C180 H120 Ir4 N16 O10 -","- C360 H240 Ir8 N32 O20 -","2","0.25","","Li, Qiuxia; Zhang, Xinghua; Cao, Yibo; Shi, Chao; Tao, Peng; Zhao, Qiang; Yuan, Aihua","An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4596","4601","10.1039/c9dt00344d","","","0.71073","MoKα","","0.0603","0.0389","","","0.0867","0.0924","","","","","","1.039","","","","has coordinates,has disorder","224295","2020-10-21","18:00:00",""
"7049160","27.492","0.003","27.492","0.003","9.296","0.003","90","","90","","90","","7026","3","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C45 H32 Ir N3 O2 -","- C45 H32 Ir N3 O2 -","- C360 H256 Ir8 N24 O16 -","8","1","","Li, Qiuxia; Zhang, Xinghua; Cao, Yibo; Shi, Chao; Tao, Peng; Zhao, Qiang; Yuan, Aihua","An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4596","4601","10.1039/c9dt00344d","","","0.71073","MoKα","","0.0758","0.0545","","","0.1231","0.131","","","","","","1.066","","","","has coordinates","224295","2020-10-21","18:00:00",""
"7049161","15.9449","0.0006","17.1036","0.0006","16.1118","0.0005","90","","90","","90","","4393.9","0.3","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C31 H47 Cl2 Se7 Ta3 -","- C31.005 H45 Cl2.009 Se7 Ta3 -","- C124.02 H180 Cl8.036 Se28 Ta12 -","4","0.5","","Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal","Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4203","4210","10.1039/c8dt05061a","","","0.71073","MoKα","","0.0347","0.0297","","","0.0718","0.0745","","","","","","1.051","","","","has coordinates,has disorder","224284","2020-10-21","18:00:00",""
"7049162","20.2903","0.0012","20.2903","0.0012","15.0268","0.001","90","","90","","120","","5357.6","0.6","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 Nb3 S6 -","- C30 Nb3 S6 -","- C180 Nb18 S36 -","6","0.333333","","Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal","Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4203","4210","10.1039/c8dt05061a","","","0.71073","MoKα","","0.2374","0.1562","","","0.416","0.4604","","","","","","1.241","","","","has coordinates,has disorder","224284","2020-10-21","18:00:00",""
"7049163","15.7274","0.0005","16.7472","0.0005","15.8653","0.0004","90","","90","","90","","4178.8","0.2","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30.5 H46 B Cl Nb3 S7 -","- C30.5 H45 B Cl Nb3 S7 -","- C122 H180 B4 Cl4 Nb12 S28 -","4","0.5","","Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal","Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4203","4210","10.1039/c8dt05061a","","","0.71073","MoKα","","0.0341","0.0302","","","0.0843","0.0865","","","","","","1.076","","","","has coordinates,has disorder","224284","2020-10-21","18:00:00",""
"7049164","26.3477","0.0002","20.897","0.0002","18.0176","0.0002","90","","90","","90","","9920.27","0.16","153","2","153.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49.5 H46 Cl2 N9.5 O11.5 Ru -","- C43 H30 Cl2 N8 O8 Ru -","- C344 H240 Cl16 N64 O64 Ru8 -","8","1","","Yu, Bole; Rees, Thomas W.; Liang, Jiewen; Jin, Chengzhi; Chen, Yu; Ji, Liangnian; Chao, Hui","DNA interaction of ruthenium(ii) complexes with imidazo[4,5-f][1,10]phenanthroline derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3914","3921","10.1039/c9dt00454h","","","1.54178","CuKα","","0.1748","0.1425","","","0.3679","0.3874","","","","","","2.984","","","","has coordinates","224570","2020-10-21","18:00:00",""
"7049165","8.1685","0.0007","14.6515","0.0013","10.9025","0.001","90","","108.176","0.001","90","","1239.71","0.19","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","3-Et","3-Et","","- C12 H17 B F3 N -","- C12 H17 B F3 N -","- C48 H68 B4 F12 N4 -","4","2","","Bouchard, Nicolas; Fontaine, Frédéric-Georges","Alkylammoniotrifluoroborate functionalized polystyrenes: polymeric pre-catalysts for the metal-free borylation of heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4846","4856","10.1039/c9dt00484j","","","0.71073","MoKα","","0.0661","0.0538","","","0.1384","0.1481","","","","","","1.04","","","","has coordinates","224382","2020-10-21","18:00:00",""
"7049166","13.504","0.003","10.4434","0.0019","7.9038","0.0015","90","","104.354","0.003","90","","1079.9","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Me","3-Me","","- C40 H52 B4 F12 N4 -","- C40 H52 B4 F12 N4 -","- C40 H52 B4 F12 N4 -","1","0.25","","Bouchard, Nicolas; Fontaine, Frédéric-Georges","Alkylammoniotrifluoroborate functionalized polystyrenes: polymeric pre-catalysts for the metal-free borylation of heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4846","4856","10.1039/c9dt00484j","","x-ray","0.71073","MoKα","","0.0757","0.0446","","","0.1116","0.1288","","","","","","1.056","","","","has coordinates,has disorder","224382","2020-10-21","18:00:00",""
"7049167","15.6517","0.0002","12.1844","0.0002","26.4203","0.0005","90","","97.7936","0.0014","90","","4991.98","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Au2 P2 -","- C60 H50 Au2 P2 -","- C240 H200 Au8 P8 -","4","1","","Niermeier, Philipp; Wickemeyer, Lucas; Neumann, Beate; Stammler, Hans-Georg; Goett-Zink, Lukas; Kottke, Tilman; Mitzel, Norbert W.","Aurophilicity in action: stepwise formation of dinuclear Au(i) macrocycles with rigid 1,8-dialkynylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4109","4113","10.1039/c8dt04783a","","x-ray","1.54184","CuKα","","0.0374","0.0365","","","0.0885","0.0889","","","","","","0.961","","","","has coordinates","224282","2020-10-21","18:00:00",""
"7049168","11.2609","0.0013","14.3119","0.0017","14.3796","0.0012","117.469","0.011","97.066","0.01","96.219","0.01","2004.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H124 Au4 P4 -","- C84 H124 Au4 P4 -","- C84 H124 Au4 P4 -","1","0.5","","Niermeier, Philipp; Wickemeyer, Lucas; Neumann, Beate; Stammler, Hans-Georg; Goett-Zink, Lukas; Kottke, Tilman; Mitzel, Norbert W.","Aurophilicity in action: stepwise formation of dinuclear Au(i) macrocycles with rigid 1,8-dialkynylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4109","4113","10.1039/c8dt04783a","","x-ray","1.54184","CuKα","","0.1002","0.0648","","","0.1588","0.1823","","","","","","1.014","","","","has coordinates","224282","2020-10-21","18:00:00",""
"7049169","14.2534","0.0003","13.31","0.0002","18.9631","0.0004","90","","111.149","0.002","90","","3355.23","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H66 Au4 P2 -","- C85 H66 Au4 P2 -","- C170 H132 Au8 P4 -","2","0.5","","Niermeier, Philipp; Wickemeyer, Lucas; Neumann, Beate; Stammler, Hans-Georg; Goett-Zink, Lukas; Kottke, Tilman; Mitzel, Norbert W.","Aurophilicity in action: stepwise formation of dinuclear Au(i) macrocycles with rigid 1,8-dialkynylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4109","4113","10.1039/c8dt04783a","","x-ray","0.71073","MoKα","","0.0392","0.0267","","","0.057","0.0617","","","","","","1.026","","","","has coordinates,has disorder","224282","2020-10-21","18:00:00",""
"7049170","14.941","0.0006","14.3461","0.0012","17.122","0.0008","90","","101.175","0.004","90","","3600.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H46 Dy2 F18 N2 O14 -","- C70 H46 Dy2 F18 N2 O14 -","- C140 H92 Dy4 F36 N4 O28 -","2","0.5","","Zhang, Ling; Chen, Peng; Li, Hong-Feng; Tian, Yong-Mei; Yan, Peng-Fei; Sun, Wen-Bin","From zero-dimensional to one-dimensional chain N-oxide bridged compounds with enhanced single-molecule magnetic performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4324","4332","10.1039/c9dt00210c","","","0.71073","MoKα","","0.0753","0.0425","","","0.0745","0.0892","","","","","","1.118","","","","has coordinates","224285","2020-10-21","18:00:00",""
"7049171","30.584","0.004","11.6402","0.0014","23.067","0.003","90","","108.878","0.002","90","","7770.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H60 F18 N2 O14 Y2 -","- C70 H46 F18 N2 O14 Y2 -","- C280 H184 F72 N8 O56 Y8 -","4","0.5","","Zhang, Ling; Chen, Peng; Li, Hong-Feng; Tian, Yong-Mei; Yan, Peng-Fei; Sun, Wen-Bin","From zero-dimensional to one-dimensional chain N-oxide bridged compounds with enhanced single-molecule magnetic performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4324","4332","10.1039/c9dt00210c","","","0.71073","MoKα","","0.0594","0.0409","","","0.097","0.1029","","","","","","1.041","","","","has coordinates","224285","2020-10-21","18:00:00",""
"7049172","30.888","0.003","11.6448","0.001","23.2385","0.0019","90","","109.527","0.001","90","","7877.8","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H60 F18 Gd2 N2 O14 -","- C70 H46 F18 Gd2 N2 O14 -","- C280 H184 F72 Gd8 N8 O56 -","4","0.5","","Zhang, Ling; Chen, Peng; Li, Hong-Feng; Tian, Yong-Mei; Yan, Peng-Fei; Sun, Wen-Bin","From zero-dimensional to one-dimensional chain N-oxide bridged compounds with enhanced single-molecule magnetic performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4324","4332","10.1039/c9dt00210c","","","0.71073","MoKα","","0.0424","0.0334","","","0.105","0.1163","","","","","","0.739","","","","has coordinates","224285","2020-10-21","18:00:00",""
"7049173","24.291","0.002","14.5614","0.0016","23.223","0.002","90","","117.676","0.012","90","","7274.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H47 Dy2 F18 N2 O14.5 -","- C70 H44 Dy2 F18 N2 O14 -","- C280 H176 Dy8 F72 N8 O56 -","4","1","","Zhang, Ling; Chen, Peng; Li, Hong-Feng; Tian, Yong-Mei; Yan, Peng-Fei; Sun, Wen-Bin","From zero-dimensional to one-dimensional chain N-oxide bridged compounds with enhanced single-molecule magnetic performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4324","4332","10.1039/c9dt00210c","","","0.71073","MoKα","","0.2093","0.1074","","","0.2496","0.2997","","","","","","1.037","","","","has coordinates","224285","2020-10-21","18:00:00",""
"7049174","6.213","0.005","6.525","0.005","7.83","0.006","90","","90.7","","90","","317.4","0.4","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Ge Li2 S4 Zn -","- Ge Li2 S4 Zn -","- Ge2 Li4 S8 Zn2 -","2","1","","Huang, Yi; Wu, Kui; Cheng, Jianian; Chu, Yu; Yang, Zhihua; Pan, Shilie","Li<sub>2</sub>ZnGeS<sub>4</sub>: a promising diamond-like infrared nonlinear optical material with high laser damage threshold and outstanding second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4484","4488","10.1039/c9dt00269c","","","0.71073","MoKα","","0.0795","0.058","","","0.1404","0.1617","","","","","","1.166","","","","has coordinates","224296","2020-10-21","18:00:00",""
"7049175","10.3852","0.001","15.1206","0.0015","20.549","0.002","84.673","0.005","85.261","0.005","84.632","0.005","3189.9","0.5","190","2","190.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 B Mo N3 O4 P2 -","- C34 H32 B Mo N3 O4 P2 -","- C136 H128 B4 Mo4 N12 O16 P8 -","4","2","","Lee, Kyounghoon; Kim, Chan Woo; Buckley, Jimmy L.; Vlaisavljevich, Bess; Daly, Scott R.","Isolation of ligand-centered borocations in molybdenum complexes containing a triaminoborane-bridged diphosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3777","3785","10.1039/c9dt00733d","","","0.71073","MoKα","","0.0567","0.0343","","","0.0711","0.0787","","","","","","1.026","","","","has coordinates","224540","2020-10-21","18:00:00",""
"7049176","15.0807","0.0015","14.2045","0.0014","19.39","0.0019","90","","105.03","0.005","90","","4011.5","0.7","150","2","150.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 B Cl2 F3 Mo N3 O7 P2 S -","- C36 H35 B Cl2 F3 Mo N3 O7 P2 S -","- C144 H140 B4 Cl8 F12 Mo4 N12 O28 P8 S4 -","4","1","","Lee, Kyounghoon; Kim, Chan Woo; Buckley, Jimmy L.; Vlaisavljevich, Bess; Daly, Scott R.","Isolation of ligand-centered borocations in molybdenum complexes containing a triaminoborane-bridged diphosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3777","3785","10.1039/c9dt00733d","","","0.71073","MoKα","","0.0462","0.0339","","","0.0733","0.0807","","","","","","1.023","","","","has coordinates,has disorder","224540","2020-10-21","18:00:00",""
"7049177","20.655","0.002","11.0271","0.0011","17.7885","0.0018","90","","107.133","0.005","90","","3871.8","0.7","150","2","150.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B2 Cl2 F5 Mo N3 O4 P2 -","- C35 H36 B2 Cl2 F5 Mo N3 O4 P2 -","- C140 H144 B8 Cl8 F20 Mo4 N12 O16 P8 -","4","1","","Lee, Kyounghoon; Kim, Chan Woo; Buckley, Jimmy L.; Vlaisavljevich, Bess; Daly, Scott R.","Isolation of ligand-centered borocations in molybdenum complexes containing a triaminoborane-bridged diphosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3777","3785","10.1039/c9dt00733d","","","0.71073","MoKα","","0.1076","0.0733","","","0.1755","0.1983","","","","","","1.065","","","","has coordinates","224540","2020-10-21","18:00:00",""
"7049178","19.741","0.002","9.9649","0.001","44.148","0.004","90","","90","","90","","8684.7","1.5","150","2","150.15","","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C36.5 H34 B Cl F6 Mo N4 O8 P2 S2 -","- C36.5 H34 B Cl F6 Mo N4 O8 P2 S2 -","- C292 H272 B8 Cl8 F48 Mo8 N32 O64 P16 S16 -","8","2","","Lee, Kyounghoon; Kim, Chan Woo; Buckley, Jimmy L.; Vlaisavljevich, Bess; Daly, Scott R.","Isolation of ligand-centered borocations in molybdenum complexes containing a triaminoborane-bridged diphosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3777","3785","10.1039/c9dt00733d","","","0.71073","MoKα","","0.0661","0.0547","","","0.0985","0.1024","","","","","","1.116","","","","has coordinates,has disorder","224540","2020-10-21","18:00:00",""
"7049179","15.2907","0.0012","11.2852","0.0013","19.3363","0.0015","90","","125.149","0.005","90","","2728.2","0.5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F6 N4 O3 P Re -","- C28 H18 F6 N4 O3 P Re -","- C112 H72 F24 N16 O12 P4 Re4 -","4","1","","He, Liang; Pan, Zheng-Yin; Qin, Wei-Wei; Li, Yi; Tan, Cai-Ping; Mao, Zong-Wan","Impairment of the autophagy-related lysosomal degradation pathway by an anticancer rhenium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4398","4404","10.1039/c9dt00322c","","","0.71073","MoKα","","0.0559","0.0495","","","0.1378","0.1474","","","","","","1.09","","","","has coordinates","224279","2020-10-21","18:00:00",""
"7049180","9.1531","0.0003","15.1021","0.0004","11.1714","0.0003","90","","109.768","0.003","90","","1453.23","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Fe2 -","- C34 H48 Fe2 -","- C68 H96 Fe4 -","2","0.5","","Binding, Samantha C.; Green, Jennifer C.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4263","4273","10.1039/c8dt05054f","","","1.5418","CuKα","","0.0617","0.0442","","0.1173","0.1067","0.1173","","","","","","0.9784","","","","has coordinates","224266","2020-10-21","18:00:00",""
"7049181","8.8663","0.0003","15.1452","0.0007","11.5069","0.0004","90","","104.974","0.003","90","","1492.7","0.1","150","","150","","","","","","","","SYN","3","P 1 21/n 1","-P 2yn","14","","(bispentamethylcyclopentadienylnickel)-1,2,3,5,6,7-hexamethylbicyclooct[3.3.0]ane","","- C34 H48 Ni2 -","- C34 H48 Ni2 -","- C68 H96 Ni4 -","2","0.5","","Binding, Samantha C.; Green, Jennifer C.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4263","4273","10.1039/c8dt05054f","","","0.71073","MoKα","","0.0656","0.0395","","0.1066","0.0838","0.1066","","","","","","0.948","","","","has coordinates","224266","2020-10-21","18:00:00",""
"7049182","7.9066","0.0002","8.1643","0.0002","9.3165","0.0004","67.9417","0.0014","83.4571","0.0014","61.8652","0.0017","490.05","0.03","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","","bis(cyclopentadienylcobalt)pentalenyl","","- C24 H28 Co2 -","- C24 H28 Co2 -","- C24 H28 Co2 -","1","0.5","","Binding, Samantha C.; Green, Jennifer C.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4263","4273","10.1039/c8dt05054f","","","0.71073","MoKα","","0.035","0.0292","","0.0655","0.0603","0.0655","","","","","","0.8884","","","","has coordinates","224266","2020-10-21","18:00:00",""
"7049183","16.7219","0.0004","8.6986","0.0002","20.5957","0.0005","90","","104.873","0.001","90","","2895.42","0.12","150","","150","","","","","","","","SYN","3","C 1 2/c 1","-C 2yc","15","","bis(pentamethylcyclopentadienylcobalt)pentalene","","- C34 H48 Co2 -","- C34 H48 Co2 -","- C136 H192 Co8 -","4","0.5","","Binding, Samantha C.; Green, Jennifer C.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4263","4273","10.1039/c8dt05054f","","","0.71073","MoKα","","0.0582","0.0355","","0.0978","0.0758","0.0978","","","","","","0.9421","","","","has coordinates","224266","2020-10-21","18:00:00",""
"7049184","7.6274","0.0004","8.2173","0.0004","9.6561","0.0007","68.6","0.003","87.71","0.003","62.426","0.004","493.35","0.06","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","","bis(cyclopentadienylnickel)pentalenyl","","- C24 H28 Ni2 -","- C24 H28 Ni2 -","- C24 H28 Ni2 -","1","0.5","","Binding, Samantha C.; Green, Jennifer C.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis, characterisation and redox properties of anti-bimetallic permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4263","4273","10.1039/c8dt05054f","","","0.71073","MoKα","","0.0441","0.0403","","0.1017","0.0984","0.1017","","","","","","0.8807","","","","has coordinates","224266","2020-10-21","18:00:00",""
"7049185","8.6495","0.0003","9.6051","0.0004","13.2177","0.0005","108.9","0.004","96.188","0.003","104.291","0.004","985.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H33 N Ru Si2 -","- C16 H33 N Ru Si2 -","- C32 H66 N2 Ru2 Si4 -","2","1","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.0239","0.0229","","","0.0575","0.0583","","","","","","1.072","","","","has coordinates","224265","2020-10-21","18:00:00",""
"7049186","10.3355","0.0004","10.4767","0.0004","19.0232","0.0007","83.065","0.003","79.713","0.003","60.953","0.004","1770.45","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 N3 Ru -","- C37 H51 N3 Ru -","- C74 H102 N6 Ru2 -","2","1","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.0302","0.027","","","0.066","0.0681","","","","","","1.055","","","","has coordinates,has disorder","224265","2020-10-21","18:00:00",""
"7049187","10.4313","0.0003","18.5572","0.0004","20.5081","0.0004","90","","95.352","0.002","90","","3952.56","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 N4 O Ru -","- C42 H60 N4 O Ru -","- C168 H240 N16 O4 Ru4 -","4","1","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.039","0.0338","","","0.0818","0.0849","","","","","","1.05","","","","has coordinates","224265","2020-10-21","18:00:00",""
"7049188","14.7656","0.0004","24.5786","0.0007","31.6576","0.0007","90","","90","","90","","11489.1","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H47 N Ru2 Si2 -","- C26 H47 N Ru2 Si2 -","- C416 H752 N16 Ru32 Si32 -","16","2","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.036","0.0282","","","0.0644","0.0686","","","","","","1.04","","","","has coordinates","224265","2020-10-21","18:00:00",""
"7049189","11.6739","0.0004","11.5368","0.0004","16.0349","0.0004","90","","93","0.004","90","","2156.61","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 Ru Si2 -","- C19 H36 Ru Si2 -","- C76 H144 Ru4 Si8 -","4","1","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.0462","0.0332","","","0.0761","0.0834","","","","","","1.035","","","","has coordinates,has disorder","224265","2020-10-21","18:00:00",""
"7049190","10.46144","0.00008","18.55835","0.00012","18.31024","0.00014","90","","98.1772","0.0008","90","","3518.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N3 Ru -","- C37 H51 N3 Ru -","- C148 H204 N12 Ru4 -","4","1","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.0366","0.0329","","","0.088","0.0909","","","","","","1.03","","","","has coordinates","224265","2020-10-21","18:00:00",""
"7049191","10.354","0.0007","17.9612","0.0012","18.099","0.0011","90","","90.255","0.002","90","","3365.8","0.4","106","2","106","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H5 B Cl F10 N -","- C17 H5 B Cl F10 N -","- C136 H40 B8 Cl8 F80 N8 -","8","4","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0455","0.0358","","","0.0724","0.076","","","","","","1.069","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049192","10.7974","0.0003","11.4497","0.0004","13.2136","0.0006","81.389","0.001","70.405","0.001","62.3","0.002","1362.54","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 B F10 N Si -","- C24 H20 B F10 N Si -","- C48 H40 B2 F20 N2 Si2 -","2","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0784","0.0587","","","0.1201","0.1331","","","","","","1.072","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049193","9.6491","0.0003","11.8975","0.0003","12.273","0.0003","101.476","0.001","96.283","0.001","92.662","0.001","1369.11","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 B F15 Si -","- C24 H12 B F15 Si -","- C48 H24 B2 F30 Si2 -","2","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","1.54178","CuKα","","0.04","0.0326","","","0.0816","0.0846","","","","","","1.044","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049194","5.2909","0.0004","9.4999","0.0011","26.104","0.003","90","","90.161","0.008","90","","1312.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F10 -","- C13 H3 B F10 -","- C52 H12 B4 F40 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.064","0.047","","","0.1139","0.1269","","","","","","1.08","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049195","27.7237","0.0007","8.5787","0.0002","21.3851","0.0006","90","","105.294","0.001","90","","4906","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 B Cl F10 N Si -","- C23 H17 B Cl F10 N Si -","- C184 H136 B8 Cl8 F80 N8 Si8 -","8","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","1.54178","CuKα","","0.0396","0.0334","","","0.0832","0.0861","","","","","","1.059","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049196","10.8003","0.0002","21.916","0.0005","13.1037","0.0003","90","","101.658","0.001","90","","3037.65","0.11","101","2","101","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 B Cl F10 N Si -","- C28 H19 B Cl F10 N Si -","- C112 H76 B4 Cl4 F40 N4 Si4 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","1.54178","CuKα","","0.0536","0.041","","","0.0947","0.1012","","","","","","1.051","","","","has coordinates,has disorder","224397","2020-10-21","18:00:00",""
"7049197","10.4154","0.0004","30.5675","0.001","9.4626","0.0003","90","","114.686","0.002","90","","2737.31","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B Br F10 Si2 -","- C24 H24 B Br F10 Si2 -","- C96 H96 B4 Br4 F40 Si8 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","1.54178","CuKα","","0.0453","0.0354","","","0.0864","0.0905","","","","","","1.035","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049198","11.9676","0.0002","18.745","0.0003","27.0581","0.0005","90","","90.89","0.001","90","","6069.28","0.18","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B Cl F10 N Si2 -","- C27 H23 B Cl F10 N Si2 -","- C216 H184 B8 Cl8 F80 N8 Si16 -","8","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0621","0.0468","","","0.0887","0.0978","","","","","","1.084","","","","has coordinates,has disorder","224397","2020-10-21","18:00:00",""
"7049199","12.1069","0.0005","16.3988","0.0006","19.2005","0.0008","113.692","0.001","98.198","0.002","100.822","0.001","3326.4","0.2","102","2","102","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 B Cl F10 N Si -","- C28 H25 B Cl F10 N Si -","- C112 H100 B4 Cl4 F40 N4 Si4 -","4","2","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0704","0.0437","","","0.09","0.0983","","","","","","1.021","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049200","10.4024","0.0005","30.1347","0.0015","9.5483","0.0005","90","","114.576","0.001","90","","2722","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B Cl F10 Si2 -","- C24 H24 B Cl F10 Si2 -","- C96 H96 B4 Cl4 F40 Si8 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","1.54178","CuKα","","0.0363","0.0354","","","0.09","0.0907","","","","","","1.083","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049201","23.7133","0.0005","7.5887","0.0002","25.2856","0.0006","90","","114.834","0.001","90","","4129.46","0.17","112","2","112","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 B2 F10 O3 Si4 -","- C36 H50 B2 F10 O3 Si4 -","- C144 H200 B8 F40 O12 Si16 -","4","0.5","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","1.54178","CuKα","","0.0386","0.033","","","0.0797","0.083","","","","","","1.051","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049202","19.7064","0.0018","11.2666","0.0009","20.838","0.002","90","","114.308","0.003","90","","4216.4","0.7","101","2","101","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 B Cl F10 N Si4 -","- C37 H41 B Cl F10 N Si4 -","- C148 H164 B4 Cl4 F40 N4 Si16 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.1022","0.0733","","","0.1486","0.1586","","","","","","1.162","","","","has coordinates,has disorder","224397","2020-10-21","18:00:00",""
"7049203","16.507","0.0005","11.0553","0.0004","17.9516","0.0006","90","","106.1","0.001","90","","3147.5","0.18","106","2","106","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 B Cl F10 N Si2 -","- C29 H29 B Cl F10 N Si2 -","- C116 H116 B4 Cl4 F40 N4 Si8 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0433","0.0325","","","0.0718","0.0765","","","","","","1.049","","","","has coordinates","224397","2020-10-21","18:00:00",""
"7049204","11.9125","0.0002","19.3305","0.0003","19.4412","0.0004","90","","103.855","0.007","90","","4346.56","0.19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 B Cl F10 N Si2 -","- C39 H33 B Cl F10 N Si2 -","- C156 H132 B4 Cl4 F40 N4 Si8 -","4","1","","Škoch, Karel; Pauly, Christophe; Daniliuc, Constantin G.; Bergander, Klaus; Kehr, Gerald; Erker, Gerhard","Consecutive intermolecular 1,1-carboboration reactions of Me<sub>3</sub>Si-substituted alkynes with the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4837","4845","10.1039/c9dt00413k","","","0.71073","MoKα","","0.0706","0.0525","","","0.1055","0.1155","","","","","","1.043","","","","has coordinates,has disorder","224397","2020-10-21","18:00:00",""
"7049205","11.3862","0.0003","11.3862","0.0003","41.1226","0.0014","90","","90","","90","","5331.4","0.3","293","2","293.15","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C61 H44 N4 O4 Pt2 -","- C61 H44 N4 O4 Pt2 -","- C244 H176 N16 O16 Pt8 -","4","0.5","","Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4420","4428","10.1039/c8dt03615b","","x-ray","0.71073","MoKα","","0.0468","0.0423","","","0.1172","0.1201","","","","","","1.13","","","","has coordinates","224268","2020-10-21","18:00:00",""
"7049206","18.5883","0.0008","11.8497","0.0003","26.2885","0.0009","90","","104.291","0.004","90","","5611.3","0.4","293","2","293.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C74 H54 N4 O2 Pt2 -","- C74 H54 N4 O2 Pt2 -","- C296 H216 N16 O8 Pt8 -","4","0.5","","Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4420","4428","10.1039/c8dt03615b","","x-ray","0.71073","MoKα","","0.0614","0.0371","","","0.0746","0.0864","","","","","","1.051","","","","has coordinates","224268","2020-10-21","18:00:00",""
"7049207","11.3937","0.0003","11.3937","0.0003","41.0779","0.0014","90","","90","","90","","5332.6","0.3","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C64 H50 N4 O4 Pt2 -","- C64 H50 N4 O4 Pt2 -","- C256 H200 N16 O16 Pt8 -","4","0.5","","Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4420","4428","10.1039/c8dt03615b","","x-ray","0.71073","MoKα","","0.0384","0.0349","","","0.0841","0.0862","","","","","","1.101","","","","has coordinates","224268","2020-10-21","18:00:00",""
"7049208","18.4923","0.0019","13.6885","0.0015","20.0091","0.0016","90","","97.229","0.009","90","","5024.7","0.9","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H34 F4 N4 O2 Pt2 -","- C60 H34 F4 N4 O2 Pt2 -","- C240 H136 F16 N16 O8 Pt8 -","4","0.5","","Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4420","4428","10.1039/c8dt03615b","","x-ray","0.71073","MoKα","","0.073","0.0502","","","0.1128","0.129","","","","","","1.034","","","","has coordinates","224268","2020-10-21","18:00:00",""
"7049209","24.539","0.007","13.947","0.004","36.45","0.01","90","","90","","90","","12475","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H38 Cu4 I4 N6 -","- C61 H38 Cu4 I4 N6 -","- C488 H304 Cu32 I32 N48 -","8","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.1385","0.1127","","","0.353","0.3695","","","","","","1.096","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049210","10.0295","0.0011","10.798","0.0012","16.3919","0.0017","98.307","0.002","98.761","0.002","116.814","0.002","1519.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Cu2 I2 N3 -","- C33 H21 Cu2 I2 N3 -","- C66 H42 Cu4 I4 N6 -","2","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.05","0.036","","","0.0817","0.0983","","","","","","1.083","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049211","9.898","0.001","9.9893","0.001","15.3085","0.0015","107.079","0.002","98.609","0.002","98.887","0.002","1398.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Cu I N3 -","- C33 H21 Cu I N3 -","- C66 H42 Cu2 I2 N6 -","2","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.0424","0.0326","","","0.0778","0.1022","","","","","","1.118","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049212","18.599","0.003","24.88","0.004","14.068","0.002","90","","112.22","","90","","6026.4","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H36 Cu3 I3 N6 -","- C54 H30 Cu3 I3 N6 -","- C216 H120 Cu12 I12 N24 -","4","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.0599","0.0429","","","0.1307","0.1353","","","","","","1.045","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049213","24.539","0.007","13.947","0.004","36.45","0.01","90","","90","","90","","12475","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H30 Cu4 I4 N6 -","- C54 H30 Cu4 I4 N6 -","- C432 H240 Cu32 I32 N48 -","8","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.1171","0.0955","","","0.2772","0.2909","","","","","","1.036","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049214","8.6537","0.0015","12.833","0.002","15.3914","0.0017","81.863","0.006","83.238","0.005","84.662","0.006","1675.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Ir2 N4 O4 -","- C30 H32 Cl2 Ir2 N4 O4 -","- C60 H64 Cl4 Ir4 N8 O8 -","2","1","","Gatus, Mark R. D.; Pernik, Indrek; Tompsett, Joshua A.; Binding, Samantha C.; Peterson, Matthew B.; Messerle, Barbara A.","Simple and reactive Ir(i) N-heterocyclic carbene complexes for alkyne activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4333","4340","10.1039/c9dt00313d","","","0.71073","MoKα","","0.1147","0.0488","","","0.0948","0.1165","","","","","","0.953","","","","has coordinates","224275","2020-10-21","18:00:00",""
"7049215","10.9491","0.0003","13.1008","0.0004","13.1664","0.0004","86.173","0.001","69.332","0.001","76.042","0.001","1714.54","0.09","171","2","171.34","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl Ir N2 -","- C18 H22 Cl Ir N2 -","- C72 H88 Cl4 Ir4 N8 -","4","2","","Gatus, Mark R. D.; Pernik, Indrek; Tompsett, Joshua A.; Binding, Samantha C.; Peterson, Matthew B.; Messerle, Barbara A.","Simple and reactive Ir(i) N-heterocyclic carbene complexes for alkyne activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4333","4340","10.1039/c9dt00313d","","","0.71073","MoKα","","0.0198","0.0167","","","0.0379","0.0392","","","","","","1.026","","","","has coordinates","224275","2020-10-21","18:00:00",""
"7049216","9.4717","0.0002","10.4441","0.0003","16.3936","0.0004","88.649","0.002","75.07","0.002","89.069","0.002","1566.44","0.07","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H40 B10 Cl N2 P2 Rh S2 -","- C22 H40 B10 Cl N2 P2 Rh S2 -","- C44 H80 B20 Cl2 N4 P4 Rh2 S4 -","2","1","","Coburger, Peter; Kahraman, Gizem; Straube, Axel; Hey-Hawkins, Evamarie","Rhodium(i) complexes with carborane-substituted P,N ligands: investigations of electronic structure and dynamic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9625","9630","10.1039/c9dt00628a","","","0.71073","MoKα","","0.0615","0.0415","","","0.0763","0.0823","","","","","","1.034","","","","has coordinates","224068","2020-10-21","18:00:00",""
"7049217","15.73","0.003","15.1","0.003","10.023","0.002","90","","119.21","0.03","90","","2078","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H34 N6 O8 Zn2 -","- C42 H34 N6 O8 Zn2 -","- C84 H68 N12 O16 Zn4 -","2","0.25","","Yan, Jingjing; Carl, Alexander D.; Maag, Alex R.; MacDonald, John C.; Müller, Peter; Grimm, Ronald L.; Burdette, Shawn C.","Detection of adsorbates on emissive MOF surfaces with X-ray photoelectron spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4520","4529","10.1039/c8dt04404j","","","0.71073","MoKα","","0.0771","0.0521","","","0.1282","0.1397","","","","","","1.09","","","","has coordinates,has disorder","224289","2020-10-21","18:00:00",""
"7049218","12.1475","0.0019","15.602","0.002","14.578","0.002","90","","99.566","0.008","90","","2724.5","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O5 Zn -","- C28 H26 N4 O5 Zn -","- C112 H104 N16 O20 Zn4 -","4","1","","Yan, Jingjing; Carl, Alexander D.; Maag, Alex R.; MacDonald, John C.; Müller, Peter; Grimm, Ronald L.; Burdette, Shawn C.","Detection of adsorbates on emissive MOF surfaces with X-ray photoelectron spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4520","4529","10.1039/c8dt04404j","","","0.71073","MoKα","","0.0572","0.0386","","","0.0872","0.0994","","","","","","1.0594","","","","has coordinates","224289","2020-10-21","18:00:00",""
"7049219","13.74","0.0005","11.5371","0.0004","11.3057","0.0004","90","","93.6606","0.0012","90","","1788.52","0.11","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Ce2 O24 S6 -","- B2 Ce2 O24 S6 -","- B8 Ce8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0307","0.0215","","","0.0431","0.0453","","","","","","1.044","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049220","13.5053","0.0014","11.4095","0.0011","10.921","0.0011","90","","93.453","0.003","90","","1679.7","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Ho2 O24 S6 -","- B2 Ho2 O24 S6 -","- B8 Ho8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0142","0.0124","","","0.0287","0.0293","","","","","","0.952","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049221","13.7141","0.0011","11.5305","0.0009","11.2643","0.0009","90","","93.638","0.002","90","","1777.6","0.2","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 O24 Pr2 S6 -","- B2 O24 Pr2 S6 -","- B8 O96 Pr8 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.016","0.014","","","0.0337","0.0343","","","","","","1.109","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049222","13.4981","0.0004","11.3617","0.0003","10.8327","0.0003","90","","93.45","0.0009","90","","1658.31","0.08","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 O24 S6 Tm2 -","- B2 O24 S6 Tm2 -","- B8 O96 S24 Tm8 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0179","0.0142","","","0.0297","0.0303","","","","","","1.043","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049223","13.5683","0.0019","11.4248","0.0016","10.9703","0.0017","90","","93.45","0.004","90","","1697.5","0.4","301","2","301","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Dy2 O24 S6 -","- B2 Dy2 O24 S6 -","- B8 Dy8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0336","0.0217","","","0.0434","0.0453","","","","","","1.04","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049224","13.636","0.003","11.492","0.003","11.112","0.002","90","","93.567","0.006","90","","1737.9","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 O24 S6 Sm2 -","- B2 O24 S6 Sm2 -","- B8 O96 S24 Sm8 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0205","0.0163","","","0.037","0.0381","","","","","","1.002","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049225","13.5601","0.0006","11.4248","0.0005","10.9881","0.0005","90","","93.5342","0.0013","90","","1699.05","0.13","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 O24 S6 Tb2 -","- B2 O24 S6 Tb2 -","- B8 O96 S24 Tb8 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0395","0.026","","","0.0406","0.0428","","","","","","1.026","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049226","13.469","0.003","11.364","0.003","10.799","0.003","90","","93.369","0.008","90","","1650.1","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Lu2 O24 S6 -","- B2 Lu2 O24 S6 -","- B8 Lu8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0333","0.0244","","","0.0522","0.0544","","","","","","1.031","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049227","13.551","0.005","11.411","0.004","10.882","0.004","90","","93.41","0.012","90","","1679.7","1.1","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Er2 O24 S6 -","- B2 Er2 O24 S6 -","- B8 Er8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0223","0.0175","","","0.0379","0.0388","","","","","","1.089","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049228","13.5172","0.0005","11.3941","0.0004","10.8994","0.0004","90","","93.447","0.001","90","","1675.65","0.11","287","2","287","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 O24 S6 Y2 -","- B2 O24 S6 Y2 -","- B8 O96 S24 Y8 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.029","0.0224","","","0.048","0.0493","","","","","","0.994","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049229","13.7924","0.0017","11.5887","0.0014","11.3954","0.0014","90","","93.611","0.004","90","","1817.8","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 La2 O24 S6 -","- B2 La2 O24 S6 -","- B8 La8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0461","0.0291","","","0.0506","0.0543","","","","","","1.031","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049230","13.6077","0.0006","11.4725","0.0004","11.1229","0.0004","90","","93.5718","0.0012","90","","1733.07","0.12","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Samariumborosulfate","samarium-trissulfatoborate","","- B O12 S3 Sm -","- B O12 S3 Sm -","- B8 O96 S24 Sm8 -","8","1","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0228","0.0197","","","0.0448","0.0458","","","","","","1.098","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049231","13.602","0.006","11.47","0.005","11.05","0.005","90","","93.465","0.009","90","","1720.8","1.3","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Eu2 O24 S6 -","- B2 Eu2 O24 S6 -","- B8 Eu8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0638","0.0414","","","0.0745","0.0784","","","","","","1.051","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049232","13.6775","0.0004","11.5134","0.0004","11.2046","0.0003","90","","93.5909","0.0008","90","","1760.97","0.09","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Nd2 O24 S6 -","- B2 Nd2 O24 S6 -","- B8 Nd8 O96 S24 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0338","0.0242","","","0.0435","0.0455","","","","","","1.04","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049233","13.4949","0.0011","11.3452","0.0009","10.7961","0.0009","90","","93.39","0.002","90","","1650","0.2","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 O24 S6 Yb2 -","- B2 O24 S6 Yb2 -","- B8 O96 S24 Yb8 -","4","0.5","","Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A","RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4387","4397","10.1039/c9dt00445a","","","0.71073","MoKα","","0.0156","0.0128","","","0.0277","0.0281","","","","","","1.056","","","","has coordinates","224274","2020-10-21","18:00:00",""
"7049234","8.1767","0.0007","10.9491","0.0008","11.4868","0.0007","83.608","0.004","73.687","0.003","88.562","0.004","980.83","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Co N3 O7 -","- C17 H25 Co N3 O7 -","- C34 H50 Co2 N6 O14 -","2","1","","Dhibar, Subhendu; Yadav, Priya; Paul, Tanima; Sarkar, Keka; Chattopadhyay, Asoke Prasun; Krawczuk, Anna; Dey, Biswajit","A bio-relevant supramolecular Co(ii)-complex for selective fluorescence sensing of μM range inorganic As(iii) in aqueous medium and its intracellular tracking in bacterial systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4362","4369","10.1039/c8dt04127j","","","0.71073","MoKα","","0.1059","0.0701","","","0.2069","0.2361","","","","","","1.085","","","","has coordinates,has disorder","224269","2020-10-21","18:00:00",""
"7049235","14.1633","0.0009","15.5448","0.001","18.1762","0.0012","73.946","0.003","71.033","0.003","88.863","0.003","3626.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H136 Cl6 La2 N16 O34 Pt2 -","- C104 H136 Cl6 La2 N16 O34 Pt2 -","- C104 H136 Cl6 La2 N16 O34 Pt2 -","1","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Sun, Qing-Fu","Strongly luminescent 5d/4f heterometal-organic macrocycles with open metal sites: post-assembly modification and sensing.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4479","4483","10.1039/c9dt00710e","","","0.71073","MoKα","","0.0703","0.0514","","","0.1301","0.1402","","","","","","1.079","","","","has coordinates","224300","2020-10-21","18:00:00",""
"7049236","14.8876","0.0011","16.7086","0.0012","18.0513","0.0012","103.87","0.002","110.195","0.002","92.844","0.003","4047.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H142 Eu2 F18 N18 O30 Pt2 S6 -","- C114 H142 Eu2 F18 N18 O30 Pt2 S6 -","- C114 H142 Eu2 F18 N18 O30 Pt2 S6 -","1","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Sun, Qing-Fu","Strongly luminescent 5d/4f heterometal-organic macrocycles with open metal sites: post-assembly modification and sensing.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4479","4483","10.1039/c9dt00710e","","","0.71073","MoKα","","0.061","0.0398","","","0.0939","0.1046","","","","","","1.045","","","","has coordinates","224300","2020-10-21","18:00:00",""
"7049237","18.6809","0.0011","15.942","0.001","41.772","0.003","90","","92.432","0.002","90","","12429","1.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C178 H194 F6 Lu2 N16 O20 P4 Pt2 S2 -","- C178 H194 F6 Lu2 N16 O20 P4 Pt2 S2 -","- C356 H388 F12 Lu4 N32 O40 P8 Pt4 S4 -","2","0.5","","Zhu, Qiang-Yu; Zhou, Li-Peng; Sun, Qing-Fu","Strongly luminescent 5d/4f heterometal-organic macrocycles with open metal sites: post-assembly modification and sensing.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4479","4483","10.1039/c9dt00710e","","","0.71073","MoKα","","0.1574","0.0776","","","0.2185","0.2697","","","","","","1.05","","","","has coordinates","224300","2020-10-21","18:00:00",""
"7049238","16.119","0.005","24.785","0.005","21.326","0.004","90","","115.151","0.016","90","","7712","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 Al2 N5 S -","- C40 H49 Al2 N5 S -","- C320 H392 Al16 N40 S8 -","8","2","","Gaona, Miguel A.; de la Cruz-Martínez, Felipe; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Alonso-Moreno, Carlos; Rodríguez, Ana M; Rodríguez-Diéguez, Antonio; Castro-Osma, José A; Otero, Antonio; Lara-Sánchez, Agustín","Synthesis of helical aluminium catalysts for cyclic carbonate formation.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4218","4227","10.1039/c9dt00323a","","","0.71073","MoKα","","0.1092","0.0842","","","0.2258","0.2461","","","","","","1.106","","","","has coordinates","224270","2020-10-21","18:00:00",""
"7049239","11.7879","0.0018","18.096","0.003","19.838","0.003","90","","90.133","0.003","90","","4231.7","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 As Br2 F4 P2 Pd Sn -","- C44 H35 As Br2 F4 P2 Pd Sn -","- C176 H140 As4 Br8 F16 P8 Pd4 Sn4 -","4","1","","Mirzadeh, Nedaossadat; Reddy, T. Srinivasa; Privér, Steven H; Bhargava, Suresh K.","Synthesis, anti-proliferative and apoptosis-inducing studies of palladacycles containing a diphosphine and a Sn,As-based chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5183","5192","10.1039/c8dt03875a","","","0.71073","MoKα","","0.0206","0.0186","","","0.051","0.0522","","","","","","1.047","","","","has coordinates","224198","2020-10-21","18:00:00",""
"7049240","17.183","0.002","16.421","0.003","8.8532","0.0014","90","","93.124","0.005","90","","2494.3","0.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F12 Fe N3 O4 S3 -","- C18 H6 F12 Fe N3 O4 S3 -","- C72 H24 F48 Fe4 N12 O16 S12 -","4","1","","Michalowicz, Carolyn A.; Mills, Michelle B.; Song, Ellen; Soldatov, Dmitriy V.; Boyle, Paul D.; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Slow magnetization dynamics in a six-coordinate Fe(ii)-radical complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4514","4519","10.1039/c9dt00558g","","","0.71073","MoKα","","0.0993","0.0549","","","0.124","0.1381","","","","","","1.046","","","","has coordinates,has disorder","224293","2020-10-21","18:00:00",""
"7049241","9.7286","0.0003","17.2405","0.0004","10.7173","0.0003","90","","92.114","0.003","90","","1796.35","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N3 S3 -","- C8 H4 N3 S3 -","- C64 H32 N24 S24 -","8","2","","Michalowicz, Carolyn A.; Mills, Michelle B.; Song, Ellen; Soldatov, Dmitriy V.; Boyle, Paul D.; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Slow magnetization dynamics in a six-coordinate Fe(ii)-radical complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4514","4519","10.1039/c9dt00558g","","","0.71073","MoKα","","0.0826","0.0629","","","0.1621","0.1691","","","","","","1.067","","","","has coordinates","224293","2020-10-21","18:00:00",""
"7049242","8.7072","0.0012","8.7165","0.0011","11.9416","0.0017","81.214","0.011","84.274","0.012","80.451","0.011","880.7","0.2","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 N -","- C24 H21 N -","- C48 H42 N2 -","2","1","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.0608","0.0426","","","0.1165","0.1253","","","","","","1.025","","","","has coordinates","224070","2020-10-21","18:00:00",""
"7049243","11.0605","0.0019","21.638","0.004","23.462","0.004","90","","97.585","0.007","90","","5566","1.7","93","","93","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H64 F6 Ir N4 P -","- C66 H64 F6 Ir N4 P -","- C264 H256 F24 Ir4 N16 P4 -","4","0.5","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.0247","0.0224","","","0.0573","0.0659","","","","","","1.097","","","","has coordinates","224070","2020-10-21","18:00:00",""
"7049244","12.3645","0.0011","14.9064","0.0013","20.2905","0.0016","101.234","0.0015","103.196","0.0015","107.553","0.0014","3328.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H51 Cl F6 Ir N6 P -","- C62.5 H51 Cl F6 Ir N6 P -","- C125 H102 Cl2 F12 Ir2 N12 P2 -","2","1","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.0415","0.0353","","","0.1024","0.1068","","","","","","1.166","","","","has coordinates","224070","2020-10-21","18:00:00",""
"7049245","21.578","0.003","34.277","0.005","17.791","0.003","90","","108.335","0.004","90","","12491","3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 F6 Ir N6 P -","- C54 H46 F6 Ir N6 P -","- C432 H368 F48 Ir8 N48 P8 -","8","2","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.2015","0.1169","","","0.2924","0.3398","","","","","","1.098","","","","has coordinates,has disorder","224070","2020-10-21","18:00:00",""
"7049246","15.0673","0.0001","15.421","0.0007","16.2666","0.0009","82.424","0.008","69.36","0.007","63.442","0.006","3162.3","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 Cl4 F6 Ir N4 P -","- C68 H56 Cl4 F6 Ir N4 P -","- C136 H112 Cl8 F12 Ir2 N8 P2 -","2","1","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.0481","0.0434","","","0.1231","0.1252","","","","","","1.103","","","","has coordinates,has disorder","224070","2020-10-21","18:00:00",""
"7049247","15.0646","0.0012","16.5639","0.0016","16.7149","0.0009","62.602","0.008","72.285","0.011","83.776","0.013","3525","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H72 F6 Ir N6 O2 P -","- C78 H72 F6 Ir N6 O2 P -","- C156 H144 F12 Ir2 N12 O4 P2 -","2","1","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.1207","0.0753","","","0.1817","0.2075","","","","","","1.07","","","","has coordinates","224070","2020-10-21","18:00:00",""
"7049248","17.5652","0.0005","17.6114","0.0005","17.7741","0.0005","119.442","0.0012","91.5191","0.0013","107.388","0.0013","4468.9","0.2","180","","180","","","","","","","","301, Dept Chem, Uni Cambridge","8","P -1","-P 1","2","","[Bi2(DMSO)6V12O33Br]2[Co(DMSO)6]11DMSO","","- C15 H45 Bi Br0.5 Co0.25 O24 S7.5 V6 -","- C15 H45 Bi Br0.5 Co0.25 O24 S7.5 V6 -","- C60 H180 Bi4 Br2 Co O96 S30 V24 -","4","2","","Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.","A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4555","4564","10.1039/c8dt05072d","","","1.5418","CuKα","","0.0762","0.0645","","0.16","0.1537","0.16","","","","","","0.9929","","","","has coordinates,has disorder","224292","2020-10-21","18:00:00",""
"7049249","13.6185","0.0011","20.5438","0.0014","29.162","0.002","90","","90","","90","","8158.8","1","180","","180","","","","","","","","Cambridge Dept of Chem.","7","P 21 21 21","P 2ac 2ab","19","","[CeV12O32Cl][CeCl(DMSO)7]","","- C26 H76.39 Ce2 Cl2 O45 S13 V12 -","- C26 H76.3887 Ce2 Cl2 O45 S13 V12 -","- C104 H305.555 Ce8 Cl8 O180 S52 V48 -","4","1","","Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.","A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4555","4564","10.1039/c8dt05072d","","","1.5418","CuKα","","0.117","0.1054","","0.2644","0.2576","0.2644","","","","","","1.0073","","","","has coordinates,has disorder","224292","2020-10-21","18:00:00",""
"7049250","11.9361","0.0004","11.9973","0.0004","13.9248","0.0005","98.3028","0.0013","111.484","0.0013","91.0122","0.0013","1830.65","0.11","150","","150","","","","","","","","Lab 301, Chem Dept, Cambridge","5","P -1","-P 1","2","","[H2V10O28][VO(DMSO)5]2","","- C3.15 H9.7 O5.32 S1.58 V1.5 -","- C3.15 H9.7 O5.325 S1.575 V1.5 -","- C25.2 H77.6 O42.6 S12.6 V12 -","8","4","","Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.","A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4555","4564","10.1039/c8dt05072d","","","1.54178","CuKα","","0.1117","0.099","","0.3317","0.3128","0.3317","","","","","","1.449","","","","has coordinates,has disorder","224292","2020-10-21","18:00:00",""
"7049251","13.3149","0.0004","34.6789","0.0011","23.1516","0.0008","90","","91.9529","0.0018","90","","10684","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Bi2(DMSO)6V10O28F2]3[Bi(DMSO)5]2","","- C32 H96 Bi4 F3 O58 S16 V15 -","- C32 H96 Bi4 F3 O58 S16 V15 -","- C128 H384 Bi16 F12 O232 S64 V60 -","4","1","","Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.","A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4555","4564","10.1039/c8dt05072d","","","1.5418","CuKα","","0.142","0.1147","","0.2658","0.252","0.2658","","","","","","0.9882","","","","has coordinates,has disorder","224292","2020-10-21","18:00:00",""
"7049252","17.5211","0.0004","17.6944","0.0005","17.7072","0.0004","119.338","0.0011","90.7032","0.0013","107.71","0.0014","4471.9","0.2","180","","180","","","","","","","","","8","P -1","-P 1","2","","[Bi2(DMSO)6V12O33Br]2[Cu(DMSO)6]11DMSO","","- C29.33 H87.45 Bi2 Br Cu0.5 O47.67 S14.67 V12 -","- C29.33 H87.45 Bi2 Br Cu0.5 O47.665 S14.665 V12 -","- C58.66 H174.9 Bi4 Br2 Cu O95.33 S29.33 V24 -","2","1","","Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.","A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4555","4564","10.1039/c8dt05072d","","","1.54178","CuKα","","0.07","0.0525","","0.1231","0.1157","0.1231","","","","","","0.9948","","","","has coordinates,has disorder","224292","2020-10-21","18:00:00",""
"7049253","11.1327","0.0009","11.705","0.0011","12.383","0.001","99.306","0.007","96.452","0.007","105.332","0.007","1515.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 Dy2 F6 N6 O12 S2 -","- C58 H54 Dy2 F6 N6 O12 S2 -","- C58 H54 Dy2 F6 N6 O12 S2 -","1","0.5","","Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin","High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4931","4940","10.1039/c9dt00058e","","","0.71073","MoKα","","0.0804","0.0536","","","0.1208","0.1369","","","","","","1.015","","","","has coordinates","224380","2020-10-21","18:00:00",""
"7049254","24.7131","0.0014","18.3426","0.0008","27.265","0.003","90","","101.707","0.007","90","","12102.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Dy2 N6 O10 -","- C68 H56 Dy2 N6 O10 -","- C544 H448 Dy16 N48 O80 -","8","2","","Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin","High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4931","4940","10.1039/c9dt00058e","","","0.71073","MoKα","","0.1431","0.0733","","","0.1546","0.2009","","","","","","1.027","","","","has coordinates","224380","2020-10-21","18:00:00",""
"7049255","9.0284","0.0006","10.4527","0.0007","11.2508","0.0007","99.014","0.005","104.323","0.005","98.006","0.005","998.3","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl4 Dy2 N8 O4 -","- C38 H30 Cl4 Dy2 N8 O4 -","- C38 H30 Cl4 Dy2 N8 O4 -","1","0.5","","Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin","High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4931","4940","10.1039/c9dt00058e","","","0.71073","MoKα","","0.0415","0.033","","","0.065","0.0698","","","","","","1.027","","","","has coordinates","224380","2020-10-21","18:00:00",""
"7049256","20.3353","0.0012","15.0093","0.0013","15.7056","0.0009","90","","106.012","0.006","90","","4607.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cl4 Dy2 N12 O4 -","- C42 H40 Cl4 Dy2 N12 O4 -","- C168 H160 Cl16 Dy8 N48 O16 -","4","0.5","","Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin","High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4931","4940","10.1039/c9dt00058e","","","0.71073","MoKα","","0.082","0.0509","","","0.1063","0.1193","","","","","","1.051","","","","has coordinates","224380","2020-10-21","18:00:00",""
"7049257","8.02653","0.00015","19.3019","0.0004","11.1247","0.0002","90","","95.6771","0.0019","90","","1715.07","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl3 Dy N4 O3 -","- C12 H14 Cl3 Dy N4 O3 -","- C48 H56 Cl12 Dy4 N16 O12 -","4","1","","Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin","High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4931","4940","10.1039/c9dt00058e","","","0.71073","MoKα","","0.0337","0.0278","","","0.0666","0.0698","","","","","","1.097","","","","has coordinates,has disorder","224380","2020-10-21","18:00:00",""
"7049258","11.5623","0.0012","11.9207","0.0013","19.877","0.003","90","","96.515","0.012","90","","2722","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Dy2 F12 N6 O18 S4 -","- C42 H34 Dy2 F12 N6 O18 S4 -","- C84 H68 Dy4 F24 N12 O36 S8 -","2","0.5","","Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin","High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4931","4940","10.1039/c9dt00058e","","","0.71073","MoKα","","0.0952","0.0584","","","0.1195","0.1419","","","","","","1.056","","","","has coordinates","224380","2020-10-21","18:00:00",""
"7049259","15.7381","0.0006","24.1696","0.001","20.8139","0.0007","90","","101.87","0.002","90","","7748","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H43 Cl F6 Ir N O1.5 P2 -","- C39.5 H41 Cl F6 Ir N O1.5 P2 -","- C316 H328 Cl8 F48 Ir8 N8 O12 P16 -","8","2","","Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; Hou, Xiu-Feng","N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5072","5082","10.1039/c9dt00218a","","","1.34138","GaKα","","0.0831","0.0722","","","0.2079","0.2229","","","","","","1.033","","","","has coordinates,has disorder","224392","2020-10-21","18:00:00",""
"7049260","17.1859","0.0009","12.0306","0.0005","29.5949","0.0016","90","","95.508","0.002","90","","6090.7","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H34 Cl F6 Ir N O3 P -","- C27.5 H32 Cl F6 Ir N O3 P -","- C220 H256 Cl8 F48 Ir8 N8 O24 P8 -","8","2","","Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; Hou, Xiu-Feng","N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5072","5082","10.1039/c9dt00218a","","","1.34138","GaKα","","0.0877","0.0834","","","0.2137","0.2208","","","","","","1.07","","","","has coordinates","224392","2020-10-21","18:00:00",""
"7049261","12.7553","0.0006","16.3267","0.0008","14.7234","0.0007","90","","90","","90","","3066.2","0.3","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C31 H30 Cl F6 Ir N3 O P -","- C31 H30 Cl F6 Ir N3 O P -","- C124 H120 Cl4 F24 Ir4 N12 O4 P4 -","4","1","","Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; Hou, Xiu-Feng","N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5072","5082","10.1039/c9dt00218a","","","1.34138","GaKα","","0.0375","0.0341","","","0.0861","0.0889","","","","","","1.058","","","","has coordinates,has disorder","224392","2020-10-21","18:00:00",""
"7049262","10.9323","0.0004","20.3254","0.0007","17.54","0.0006","90","","106.666","0.001","90","","3733.7","0.2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Br0.13 Cl0.87 F6 Ir N3 O P -","- C38 H42 Br0.13 Cl0.87 F6 Ir N3 O P -","- C152 H168 Br0.52 Cl3.48 F24 Ir4 N12 O4 P4 -","4","1","","Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; Hou, Xiu-Feng","N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5072","5082","10.1039/c9dt00218a","","","1.34138","GaKα","","0.0329","0.0301","","","0.0694","0.071","","","","","","1.103","","","","has coordinates,has disorder","224392","2020-10-21","18:00:00",""
"7049263","11.9048","0.001","17.2036","0.0015","17.5111","0.0015","90","","97.082","0.001","90","","3559","0.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 Gd2 N4 O6 Si2 -","- C66 H98 Gd2 N4 O6 Si2 -","- C132 H196 Gd4 N8 O12 Si4 -","2","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0719","0.0435","","","0.0996","0.1173","","","","","","1.036","","","","has coordinates,has disorder","224194","2020-10-21","18:00:00",""
"7049264","11.8363","0.0018","14.411","0.002","17.416","0.004","108.535","0.002","95.671","0.002","110.241","0.002","2568.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H106 N8 O6 Y2 -","- C92 H106 N8 O6 Y2 -","- C92 H106 N8 O6 Y2 -","1","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1063","0.072","","","0.1888","0.2067","","","","","","0.98","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049265","11.821","0.0019","17.25","0.003","19.936","0.003","90","","118.885","0.007","90","","3559.4","1","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 N4 O6 Si2 Y2 -","- C66 H98 N4 O6 Si2 Y2 -","- C132 H196 N8 O12 Si4 Y4 -","2","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1745","0.0686","","","0.1436","0.1938","","","","","","1.016","","","","has coordinates,has disorder","224194","2020-10-21","18:00:00",""
"7049266","11.4194","0.0011","15.3671","0.0015","18.6412","0.0018","90","","90.112","0.001","90","","3271.2","0.5","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H92 N6 O6 Y2 -","- C66 H92 N6 O6 Y2 -","- C132 H184 N12 O12 Y4 -","2","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0578","0.036","","","0.0857","0.0953","","","","","","1.008","","","","has coordinates,has disorder","224194","2020-10-21","18:00:00",""
"7049267","11.8533","0.0006","17.2333","0.0009","17.5236","0.0009","90","","97.118","0.001","90","","3552","0.3","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 Dy2 N4 O6 Si2 -","- C66 H98 Dy2 N4 O6 Si2 -","- C132 H196 Dy4 N8 O12 Si4 -","2","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.064","0.0483","","","0.1264","0.1345","","","","","","1.067","","","","has coordinates,has disorder","224194","2020-10-21","18:00:00",""
"7049268","15.081","0.002","17.316","0.003","17.27","0.003","90","","103.702","0.002","90","","4381.6","1.2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H110 N8 O4 Si2 Y2 -","- C72 H110 N8 O4 Si2 Y2 -","- C144 H220 N16 O8 Si4 Y4 -","2","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1529","0.0615","","","0.1152","0.1361","","","","","","0.832","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049269","11.8031","0.001","17.2359","0.0015","17.5507","0.0015","90","","97.166","0.001","90","","3542.6","0.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 Er2 N4 O6 Si2 -","- C66 H98 Er2 N4 O6 Si2 -","- C132 H196 Er4 N8 O12 Si4 -","2","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.074","0.0504","","","0.1241","0.1363","","","","","","1.064","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049270","11.7367","0.0007","18.4753","0.0011","18.9841","0.0012","87.512","0.001","77.838","0.001","75.595","0.001","3897.4","0.4","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H98 N4 O6 Si2 Yb2 -","- C66 H98 N4 O6 Si2 Yb2 -","- C132 H196 N8 O12 Si4 Yb4 -","2","1","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0692","0.0355","","","0.0728","0.0808","","","","","","0.822","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049271","13.044","0.001","13.8601","0.001","14.8195","0.0011","97.378","0.001","113.24","0.001","114.787","0.001","2091.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H49 N4 O2 Si Yb -","- C38 H49 N4 O2 Si Yb -","- C76 H98 N8 O4 Si2 Yb2 -","2","1","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0892","0.0531","","","0.0978","0.1078","","","","","","0.936","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049272","27.113","0.002","14.1425","0.0011","24.319","0.003","90","","116.579","0.001","90","","8339.5","1.4","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H92 N6 O4 Si2 Yb2 -","- C68 H92 N6 O4 Si2 Yb2 -","- C272 H368 N24 O16 Si8 Yb8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0511","0.0342","","","0.0848","0.0929","","","","","","1.012","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049273","12.1857","0.0009","14.6994","0.001","15.6856","0.0011","103.623","0.001","112.046","0.001","97.223","0.001","2458.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 N12 O2 Si2 Yb2 -","- C78 H106 N12 O2 Si2 Yb2 -","- C78 H106 N12 O2 Si2 Yb2 -","1","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0718","0.0517","","","0.1131","0.1204","","","","","","0.959","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049274","12.8086","0.0016","16.837","0.002","20.863","0.003","79.527","0.002","76.232","0.002","89.163","0.002","4295.3","1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H86 N4 O6 Yb2 -","- C74 H86 N4 O6 Yb2 -","- C148 H172 N8 O12 Yb4 -","2","1","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1222","0.0629","","","0.1457","0.1646","","","","","","0.872","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049275","14.7004","0.0008","14.9519","0.0009","23.7312","0.0014","101.471","0.001","96.269","0.001","93.278","0.001","5064.6","0.5","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C103 H106 N14 O3 Yb2 -","- C103 H106 N14 O3 Yb2 -","- C206 H212 N28 O6 Yb4 -","2","1","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0678","0.0461","","","0.1099","0.1187","","","","","","0.984","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049276","30.2539","0.0018","14.9846","0.0009","22.6708","0.0013","90","","117.538","0.001","90","","9113.2","0.9","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Gd2 N4 O6 Si2 -","- C62 H90 Gd2 N4 O6 Si2 -","- C248 H360 Gd8 N16 O24 Si8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0926","0.0402","","","0.0711","0.0788","","","","","","0.794","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049277","14.5555","0.001","30.698","0.002","20.3236","0.0014","90","","92.879","0.001","90","","9069.6","1.1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H90 N14 O3 Yb2 -","- C79 H90 N14 O3 Yb2 -","- C316 H360 N56 O12 Yb8 -","4","1","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0515","0.0417","","","0.0965","0.1019","","","","","","1.026","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049278","10.477","0.003","12.806","0.004","13.939","0.004","93.672","0.003","105.014","0.003","92.303","0.003","1799.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H53 N4 Si3 Yb -","- C26 H53 N4 Si3 Yb -","- C52 H106 N8 Si6 Yb2 -","2","1","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1294","0.0805","","","0.1831","0.2082","","","","","","1.009","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049279","30.273","0.004","15.0332","0.0017","22.541","0.003","90","","118.311","0.003","90","","9031","2","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 N4 O6 Si2 Yb2 -","- C62 H90 N4 O6 Si2 Yb2 -","- C248 H360 N16 O24 Si8 Yb8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1642","0.0656","","","0.1273","0.161","","","","","","0.953","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049280","11.095","0.004","14.589","0.006","16.114","0.006","112.592","0.004","91.52","0.005","110.684","0.005","2212.8","1.5","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H84 N6 O6 Si2 Yb2 -","- C68 H84 N6 O6 Si2 Yb2 -","- C68 H84 N6 O6 Si2 Yb2 -","1","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0826","0.0704","","","0.1882","0.2032","","","","","","1.084","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049281","30.328","0.005","14.995","0.0019","22.623","0.004","90","","118.215","0.003","90","","9066","2","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Er2 N4 O6 Si2 -","- C62 H90 Er2 N4 O6 Si2 -","- C248 H360 Er8 N16 O24 Si8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0566","0.0356","","","0.0808","0.0876","","","","","","1.056","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049282","30.336","0.003","14.9931","0.0015","22.644","0.002","90","","118.102","0.001","90","","9085","1.5","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Dy2 N4 O6 Si2 -","- C62 H90 Dy2 N4 O6 Si2 -","- C248 H360 Dy8 N16 O24 Si8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0506","0.0328","","","0.0773","0.0828","","","","","","1.078","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049283","32.297","0.007","14.388","0.003","25.203","0.009","90","","128.886","0.002","90","","9116","4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H90 N8 O6 Yb2 -","- C84 H90 N8 O6 Yb2 -","- C336 H360 N32 O24 Yb8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.0757","0.0555","","","0.141","0.1587","","","","","","1.027","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049284","30.302","0.004","14.9856","0.0015","22.64","0.003","90","","118.104","0.002","90","","9068.5","1.9","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 N4 O6 Si2 Y2 -","- C62 H90 N4 O6 Si2 Y2 -","- C248 H360 N16 O24 Si8 Y8 -","4","0.5","","Hong, Dongjing; Zhu, Xiancui; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Huang, Zeming; Zhu, Shan; Wang, Ruru; Yue, Wenrun; Mu, Xiaolong","Synthesis, characterization, and reactivity of dinuclear organo-rare-earth-metal alkyl complexes supported by 2-amidate-functionalized indolyl ligands: substituent effects on coordination and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5230","5242","10.1039/c9dt00507b","","","0.71073","MoKα","","0.1167","0.0503","","","0.1151","0.1389","","","","","","0.954","","","","has coordinates","224194","2020-10-21","18:00:00",""
"7049285","11.033","0.001","12.4374","0.0011","13.1345","0.0012","62.303","0.003","71.71","0.003","64.929","0.003","1430","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H42 Cl10 F6 Ge2 N2 O6 P2 S2 -","- C46 H42 Cl10 F6 Ge2 N2 O6 P2 S2 -","- C46 H42 Cl10 F6 Ge2 N2 O6 P2 S2 -","1","0.5","","Sahoo, Padmini; Raut, Ravindra K.; Maurya, Devesh; Kumar, Vikas; Rani, Pooja; Gonnade, Rajesh G.; Majumdar, Moumita","Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7344","7351","10.1039/c9dt00109c","","","1.54178","CuKα","","0.0443","0.0388","","","0.1026","0.1055","","","","","","1.081","","","","has coordinates","224466","2020-10-21","18:00:00",""
"7049286","10.8139","0.0005","17.615","0.0009","14.8147","0.0008","90","","90.808","0.003","90","","2821.7","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl3 F3 Ge N O3 P S -","- C23 H23 Cl3 F3 Ge N O3 P S -","- C92 H92 Cl12 F12 Ge4 N4 O12 P4 S4 -","4","1","","Sahoo, Padmini; Raut, Ravindra K.; Maurya, Devesh; Kumar, Vikas; Rani, Pooja; Gonnade, Rajesh G.; Majumdar, Moumita","Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7344","7351","10.1039/c9dt00109c","","","1.54178","CuKα","","0.1094","0.0733","","","0.1698","0.1893","","","","","","1.027","","","","has coordinates,has disorder","224466","2020-10-21","18:00:00",""
"7049287","12.9761","0.0012","13.6739","0.0014","13.7965","0.0012","85.4","0.006","86.134","0.006","70.497","0.006","2297.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H38 Cl2 F6 Ge2 N2 O6 P2 S2 -","- C42 H38 Cl2 F6 Ge2 N2 O6 P2 S2 -","- C84 H76 Cl4 F12 Ge4 N4 O12 P4 S4 -","2","1","","Sahoo, Padmini; Raut, Ravindra K.; Maurya, Devesh; Kumar, Vikas; Rani, Pooja; Gonnade, Rajesh G.; Majumdar, Moumita","Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7344","7351","10.1039/c9dt00109c","","","1.54178","CuKα","","0.1784","0.0829","","","0.1585","0.1965","","","","","","0.999","","","","has coordinates","224466","2020-10-21","18:00:00",""
"7049288","10.8764","0.0004","37.6034","0.0012","12.6639","0.0004","90","","104.849","0.002","90","","5006.4","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cl9 F3 Ga2 N2 O3 P2 S -","- C42 H38 Cl9 F3 Ga2 N2 O3 P2 S -","- C168 H152 Cl36 F12 Ga8 N8 O12 P8 S4 -","4","1","","Sahoo, Padmini; Raut, Ravindra K.; Maurya, Devesh; Kumar, Vikas; Rani, Pooja; Gonnade, Rajesh G.; Majumdar, Moumita","Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7344","7351","10.1039/c9dt00109c","","","1.54178","CuKα","","0.1182","0.0746","","","0.1899","0.2193","","","","","","1.04","","","","has coordinates","224466","2020-10-21","18:00:00",""
"7049289","14.1906","0.0005","19.4217","0.0007","16.8932","0.0006","90","","101.035","0.002","90","","4569.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 F9 N2 O9 P2 S3 -","- C43 H37 F9 N2 O9 P2 S3 -","- C172 H148 F36 N8 O36 P8 S12 -","4","1","","Sahoo, Padmini; Raut, Ravindra K.; Maurya, Devesh; Kumar, Vikas; Rani, Pooja; Gonnade, Rajesh G.; Majumdar, Moumita","Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7344","7351","10.1039/c9dt00109c","","","1.54178","CuKα","","0.1529","0.1015","","","0.2399","0.2693","","","","","","1.069","","","","has coordinates,has disorder","224466","2020-10-21","18:00:00",""
"7049290","11.3165","0.0003","11.674","0.0004","13.7042","0.0002","94.491","0.002","105.765","0.002","105.073","0.003","1660.65","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Dy N9 O13 -","- C28 H34 Dy N9 O13 -","- C56 H68 Dy2 N18 O26 -","2","1","","Kalita, Pankaj; Malakar, Amit; Goura, Joydeb; Nayak, Subhashree; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Mononuclear lanthanide complexes assembled from a tridentate NNO donor ligand: design of a Dy<sup>III</sup> single-ion magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4857","4866","10.1039/c9dt00504h","","","0.71073","MoKα","","0.0432","0.0361","","","0.0844","0.0874","","","","","","1.023","","","","has coordinates","224377","2020-10-21","18:00:00",""
"7049291","11.3219","0.0003","11.773","0.0003","13.7532","0.0004","93.856","0.002","105.196","0.003","105.168","0.003","1689.22","0.09","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N9 O13 Tb -","- C28 H34 N9 O13 Tb -","- C56 H68 N18 O26 Tb2 -","2","1","","Kalita, Pankaj; Malakar, Amit; Goura, Joydeb; Nayak, Subhashree; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Mononuclear lanthanide complexes assembled from a tridentate NNO donor ligand: design of a Dy<sup>III</sup> single-ion magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4857","4866","10.1039/c9dt00504h","","x-ray","0.71073","MoKα","","0.0314","0.0275","","","0.0582","0.0594","","","","","","1.032","","","","has coordinates,has disorder","224377","2020-10-21","18:00:00",""
"7049292","11.3398","0.0004","11.7893","0.0004","13.7166","0.0003","93.941","0.002","105.35","0.003","105.348","0.003","1686.17","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ho N9 O13 -","- C28 H34 Ho N9 O13 -","- C56 H68 Ho2 N18 O26 -","2","1","","Kalita, Pankaj; Malakar, Amit; Goura, Joydeb; Nayak, Subhashree; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Mononuclear lanthanide complexes assembled from a tridentate NNO donor ligand: design of a Dy<sup>III</sup> single-ion magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4857","4866","10.1039/c9dt00504h","","x-ray","0.71073","MoKα","","0.0258","0.023","","","0.047","0.0479","","","","","","1.046","","","","has coordinates,has disorder","224377","2020-10-21","18:00:00",""
"7049293","11.257","0.0004","11.7166","0.0004","13.7355","0.0005","94.135","0.001","104.991","0.001","105.177","0.001","1669.83","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Gd N9 O13 -","- C28 H34 Gd N9 O13 -","- C56 H68 Gd2 N18 O26 -","2","1","","Kalita, Pankaj; Malakar, Amit; Goura, Joydeb; Nayak, Subhashree; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Mononuclear lanthanide complexes assembled from a tridentate NNO donor ligand: design of a Dy<sup>III</sup> single-ion magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4857","4866","10.1039/c9dt00504h","","x-ray","0.71073","MoKα","","0.0535","0.0376","","","0.0733","0.0778","","","","","","1.022","","","","has coordinates,has disorder","224377","2020-10-21","18:00:00",""
"7049294","10.4961","0.0004","17.4017","0.0005","9.108","0.0004","90","","105.466","0.004","90","","1603.34","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu2 F2 N4 O6 -","- C26 H34 Cu2 F2 N4 O6 -","- C52 H68 Cu4 F4 N8 O12 -","2","0.5","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0671","0.0471","","","0.1141","0.1257","","","","","","1.009","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049295","11.3556","0.0007","8.2249","0.0004","16.8201","0.0009","90","","107.899","0.006","90","","1494.94","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 Cu2 N4 O6 -","- C26 H34 Cl2 Cu2 N4 O6 -","- C52 H68 Cl4 Cu4 N8 O12 -","2","0.5","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0557","0.0387","","","0.0821","0.091","","","","","","1.044","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049296","7.9409","0.0006","8.9115","0.0007","10.9709","0.0009","96.808","0.007","99.663","0.007","104.892","0.007","728.91","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Br2 Cu2 N4 O6 -","- C26 H34 Br2 Cu2 N4 O6 -","- C26 H34 Br2 Cu2 N4 O6 -","1","0.5","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.04","0.0302","","","0.0626","0.0662","","","","","","1.023","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049297","7.9435","0.0006","8.9143","0.0007","11.1963","0.0008","95.127","0.006","98.182","0.006","105.035","0.007","751.24","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cu2 I2 N4 O6 -","- C26 H34 Cu2 I2 N4 O6 -","- C26 H34 Cu2 I2 N4 O6 -","1","0.5","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0334","0.0283","","","0.0709","0.074","","","","","","1.036","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049298","10.3793","0.0004","9.8718","0.0003","16.0905","0.0005","90","","99.148","0.003","90","","1627.7","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cu2 N4 O6 -","- C30 H44 Cu2 N4 O6 -","- C60 H88 Cu4 N8 O12 -","2","0.5","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0394","0.0324","","","0.1043","0.11","","","","","","1.019","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049299","10.462","0.0008","8.2658","0.0007","17.8447","0.0015","90","","100.055","0.009","90","","1519.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cu2 N4 O8 -","- C28 H40 Cu2 N4 O8 -","- C56 H80 Cu4 N8 O16 -","2","0.5","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0976","0.0653","","","0.1669","0.1957","","","","","","1.008","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049300","8.7657","0.0003","10.5785","0.0006","15.578","0.0008","81.054","0.005","88.318","0.004","81.086","0.004","1409.69","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cu N2 O3 -","- C31 H38 Cu N2 O3 -","- C62 H76 Cu2 N4 O6 -","2","1","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0462","0.0371","","","0.1021","0.107","","","","","","1.01","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049301","10.3633","0.0003","15.3384","0.0004","17.4039","0.0005","96.937","0.002","90.321","0.002","100.056","0.002","2703.01","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 Cu2 N4 O7 -","- C42 H68 Cu2 N4 O7 -","- C84 H136 Cu4 N8 O14 -","2","1","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0725","0.0486","","","0.1716","0.1882","","","","","","1.018","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049302","12.4965","0.0003","21.5374","0.0005","5.4886","0.0001","90","","90","","90","","1477.21","0.06","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C13 H19 Cu F N2 O4 -","- C13 H19 Cu F N2 O4 -","- C52 H76 Cu4 F4 N8 O16 -","4","1","","Cheng, Fu-Yin; Tsai, Chen-Yen; Huang, Bor-Hunn; Lu, Kuan-Yeh; Lin, Chu-Chieh; Ko, Bao-Tsan","Mono- and dinuclear copper complexes coordinated on NNO-tridentate Schiff-base derivatives for copolymerization of cyclohexene oxide and cyclic anhydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4667","4676","10.1039/c9dt00471h","","","0.71073","MoKα","","0.0376","0.0328","","","0.0746","0.0763","","","","","","1.016","","","","has coordinates","224287","2020-10-21","18:00:00",""
"7049303","24.6425","0.0019","20.7127","0.0014","29.4191","0.0019","90","","100.068","0.002","90","","14784.7","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C211 H128 Co12 F144 N24 O62 -","- C211 H128 Co12 F144 N24 O62 -","- C422 H256 Co24 F288 N48 O124 -","2","0.25","","Miao, Hao; Li, Miao; Li, Hong-Qing; Shen, Fu-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-tridentate nitronyl nitroxide radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4774","4778","10.1039/c9dt00207c","","","0.71073","MoKα","","0.0948","0.058","","","0.134","0.15","","","","","","1.079","","","","has coordinates,has disorder","224384","2020-10-21","18:00:00",""
"7049304","17.143","0.002","16.374","0.002","21.215","0.003","90","","113.3","0.003","90","","5469.4","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C89 H66 F48 Mn4 N12 O20 -","- C89 H66 F48 Mn4 N12 O20 -","- C178 H132 F96 Mn8 N24 O40 -","2","0.5","","Miao, Hao; Li, Miao; Li, Hong-Qing; Shen, Fu-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-tridentate nitronyl nitroxide radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4774","4778","10.1039/c9dt00207c","","","0.71073","MoKα","","0.0752","0.0658","","","0.1785","0.1859","","","","","","1.06","","","","has coordinates,has disorder","224384","2020-10-21","18:00:00",""
"7049305","12.207","0.005","12.761","0.005","14.489","0.005","87.736","0.006","77.249","0.006","80.846","0.005","2173.3","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H19 F24 Mn2 N4 O10 -","- C31 H19 F24 Mn2 N4 O10 -","- C62 H38 F48 Mn4 N8 O20 -","2","1","","Miao, Hao; Li, Miao; Li, Hong-Qing; Shen, Fu-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-tridentate nitronyl nitroxide radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4774","4778","10.1039/c9dt00207c","","","0.71073","MoKα","","0.1076","0.0733","","","0.1762","0.2035","","","","","","1.075","","","","has coordinates,has disorder","224384","2020-10-21","18:00:00",""
"7049306","10.2375","0.0008","10.7695","0.0008","11.1404","0.0008","66.602","0.002","65.76","0.002","66.314","0.002","985.18","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N6 O2 -","- C21 H21 N6 O2 -","- C42 H42 N12 O4 -","2","1","","Miao, Hao; Li, Miao; Li, Hong-Qing; Shen, Fu-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses and magnetic properties of a bis-tridentate nitronyl nitroxide radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4774","4778","10.1039/c9dt00207c","","","0.71073","MoKα","","0.0626","0.0508","","","0.1469","0.1574","","","","","","1.039","","","","has coordinates","224384","2020-10-21","18:00:00",""
"7049307","9.2286","0.0007","21.4872","0.0016","19.3162","0.0014","90","","98.624","0.001","90","","3787","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N4 O10 S4 Zn2 -","- C38 H28 N4 O10 S4 Zn2 -","- C152 H112 N16 O40 S16 Zn8 -","4","1","","Han, Li-Juan; Ge, Fa-Yuan; Sun, Guo-Hao; Gao, Xiang-Jing; Zheng, He-Gen","Effective adsorption of Congo red by a MOF-based magnetic material.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4650","4656","10.1039/c9dt00813f","","","0.71073","MoKα","","0.033","0.0253","","","0.0608","0.0644","","","","","","1.038","","","","has coordinates,has disorder","224299","2020-10-21","18:00:00",""
"7049308","12.7619","0.0003","13.3263","0.0003","14.0032","0.0003","63.247","0.002","74.649","0.002","67.758","0.002","1955.48","0.09","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H92 Cl2 K2 N14 O12 Sn -","- C70 H88 K2 N14 O12 Sn -","- C70 H88 K2 N14 O12 Sn -","1","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Coordination-induced metal-to-macrocycle charge transfer and effect of cations on reorientation of the CN ligand in the {SnL<sub>2</sub>Mac}<sup>2-</sup> dianions (L = CN<sup>-</sup>, OCN<sup>-</sup>, Im<sup>-</sup>; Mac = phthalo- or naphthalocyanine).","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4961","4972","10.1039/c9dt00655a","","","0.71073","MoKα","","0.0341","0.0287","","","0.0677","0.0703","","","","","","1.032","","","","has coordinates","224381","2020-10-21","18:00:00",""
"7049309","12.9251","0.0007","13.245","0.0006","13.5088","0.0007","99.141","0.004","110.94","0.005","114.613","0.005","1830.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H88 K2 N14 O14 Sn -","- C70 H88 K2 N14 O14 Sn -","- C70 H88 K2 N14 O14 Sn -","1","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Coordination-induced metal-to-macrocycle charge transfer and effect of cations on reorientation of the CN ligand in the {SnL<sub>2</sub>Mac}<sup>2-</sup> dianions (L = CN<sup>-</sup>, OCN<sup>-</sup>, Im<sup>-</sup>; Mac = phthalo- or naphthalocyanine).","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4961","4972","10.1039/c9dt00655a","","x-ray","0.71073","MoKα","","0.0665","0.0516","","","0.1266","0.1417","","","","","","1.073","","","","has coordinates,has disorder","224381","2020-10-21","18:00:00",""
"7049310","14.3794","0.0004","13.9081","0.0003","27.8398","0.0008","90","","103.064","0.003","90","","5423.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H112 Cl8 K2 N14 O12 Sn -","- C98 H104 Cl4 K2 N14 O12 Sn -","- C196 H208 Cl8 K4 N28 O24 Sn2 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Coordination-induced metal-to-macrocycle charge transfer and effect of cations on reorientation of the CN ligand in the {SnL<sub>2</sub>Mac}<sup>2-</sup> dianions (L = CN<sup>-</sup>, OCN<sup>-</sup>, Im<sup>-</sup>; Mac = phthalo- or naphthalocyanine).","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4961","4972","10.1039/c9dt00655a","","","0.71073","MoKα","","0.1041","0.0604","","","0.1218","0.1375","","","","","","1.034","","","","has coordinates","224381","2020-10-21","18:00:00",""
"7049311","14.5732","0.0003","14.8407","0.0003","20.6425","0.0003","101.949","0.002","90.676","0.001","101.671","0.002","4270.73","0.15","121","6","121","1","","","","","","","","7","P -1","-P 1","2","","","","- C86 H102 Cl4 N16 Na2 O12 Sn -","- C86 H102 Cl4 N16 Na2 O12 Sn -","- C172 H204 Cl8 N32 Na4 O24 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Coordination-induced metal-to-macrocycle charge transfer and effect of cations on reorientation of the CN ligand in the {SnL<sub>2</sub>Mac}<sup>2-</sup> dianions (L = CN<sup>-</sup>, OCN<sup>-</sup>, Im<sup>-</sup>; Mac = phthalo- or naphthalocyanine).","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4961","4972","10.1039/c9dt00655a","","x-ray","0.71073","MoKα","","0.0471","0.0337","","","0.0779","0.0846","","","","","","1.016","","","","has coordinates,has disorder","224381","2020-10-21","18:00:00",""
"7049312","26.1429","0.001","7.5779","0.0002","18.5411","0.0007","90","","97.456","0.003","90","","3642.1","0.2","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N4 O15 Zn2 -","- C32 H44 N4 O15 Zn2 -","- C128 H176 N16 O60 Zn8 -","4","0.5","","Miao, Jinling; Nie, Yong; Xiong, Zhixin; Chai, Yongshuai; Fu, Shuqing; Yan, Hong","Stimulus-responsive reversible thermochromism and exciplex emission of a Zn(ii) complex and selective sensing of NH<sub>3</sub> gas.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5000","5006","10.1039/c9dt00764d","","","0.71073","MoKα","","0.0508","0.0324","","","0.0708","0.0773","","","","","","1.032","","","","has coordinates","224383","2020-10-21","18:00:00",""
"7049313","19.067","0.002","20.129","0.002","16.9559","0.0018","90","","95.272","0.003","90","","6480.1","1.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H182 N6 O6 Te6 -","- C136 H182 N6 O6 Te6 -","- C272 H364 N12 O12 Te12 -","2","0.5","","Ho, Peter C.; Bui, Robert; Cevallos, Alberto; Sequeira, Shanel; Britten, James F.; Vargas-Baca, Ignacio","Macrocyclic complexes of Pt(ii) and Rh(iii) with iso-tellurazole N-oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4879","4886","10.1039/c9dt00500e","","","0.71073","MoKα","","0.0438","0.0304","","","0.0635","0.0698","","","","","","1.055","","","","has coordinates,has disorder","224388","2020-10-21","18:00:00",""
"7049314","11.2755","0.0011","11.2755","0.0011","24.219","0.003","90","","90","","90","","3079.1","0.6","100","","100","","","","","","","","","9","I -4","I -4","82","","","","- C10 H9 B0.25 Cl0.5 F N O Rh0.25 Te -","- C10 H9 B0.25 Cl0.5 F N O Rh0.25 Te -","- C80 H72 B2 Cl4 F8 N8 O8 Rh2 Te8 -","8","1","","Ho, Peter C.; Bui, Robert; Cevallos, Alberto; Sequeira, Shanel; Britten, James F.; Vargas-Baca, Ignacio","Macrocyclic complexes of Pt(ii) and Rh(iii) with iso-tellurazole N-oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4879","4886","10.1039/c9dt00500e","","","0.71073","MoKα","","0.0503","0.0411","","","0.099","0.1047","","","","","","1.036","","","","has coordinates","224388","2020-10-21","18:00:00",""
"7049315","13.8287","0.0007","31.4108","0.0017","20.5844","0.0011","90","","90.411","0.002","90","","8941","0.8","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H100 B2 F8 N4 O4 Pt Te4 -","- C72 H100 B2 F8 N4 O4 Pt Te4 -","- C288 H400 B8 F32 N16 O16 Pt4 Te16 -","4","1","","Ho, Peter C.; Bui, Robert; Cevallos, Alberto; Sequeira, Shanel; Britten, James F.; Vargas-Baca, Ignacio","Macrocyclic complexes of Pt(ii) and Rh(iii) with iso-tellurazole N-oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4879","4886","10.1039/c9dt00500e","","","0.71073","MoKα","","0.0878","0.0499","","","0.1018","0.113","","","","","","1.03","","","","has coordinates,has disorder","224388","2020-10-21","18:00:00",""
"7049316","19.0738","0.0007","10.093","0.0004","35.0786","0.0013","90","","90","","90","","6753","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Al N2 O3 P -","- C33 H46 Al N2 O3 P -","- C264 H368 Al8 N16 O24 P8 -","8","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","","0.71073","MoKα","","0.0653","0.0472","","","0.1151","0.1232","","","","","","1.082","","","","has coordinates","224280","2020-10-21","18:00:00",""
"7049317","7.208","0.0002","14.4448","0.0003","11.7071","0.0003","90","","100.729","0.003","90","","1197.61","0.05","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N2 O P -","- C10 H17 N2 O P -","- C40 H68 N8 O4 P4 -","4","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","x-ray","0.71073","MoKα","","0.0458","0.0411","","","0.1002","0.1032","","","","","","1.096","","","","has coordinates","224280","2020-10-21","18:00:00",""
"7049318","11.4606","0.0002","15.6198","0.0003","18.0911","0.0003","90","","102.324","0.002","90","","3163.9","0.1","100.01","0.18","100.01","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Ga N2 O3 P -","- C33 H46 Ga N2 O3 P -","- C132 H184 Ga4 N8 O12 P4 -","4","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","x-ray","0.71073","MoKα","","0.0597","0.0446","","","0.1079","0.1161","","","","","","1.045","","","","has coordinates","224280","2020-10-21","18:00:00",""
"7049319","8.2221","0.0004","7.4477","0.0004","22.3476","0.0012","90","","92.833","0.002","90","","1366.8","0.12","100","","100.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N2 O P -","- C12 H21 N2 O P -","- C48 H84 N8 O4 P4 -","4","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","","0.71073","MoKα","","0.0544","0.0382","","","0.0861","0.0926","","","","","","1.035","","","","has coordinates","224280","2020-10-21","18:00:00",""
"7049320","10.5943","0.0002","14.5344","0.0003","16.0916","0.0003","68.052","0.001","82.471","0.001","74.744","0.001","2215.76","0.08","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H60 Al N8 O3 P -","- C45 H60 Al N8 O3 P -","- C90 H120 Al2 N16 O6 P2 -","2","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","","1.54178","CuKα","","0.0595","0.046","","","0.1134","0.1235","","","","","","1.028","","","","has coordinates","224280","2020-10-21","18:00:00",""
"7049321","9.9542","0.0006","15.5877","0.0011","17.6774","0.0011","80.14","0.006","81.069","0.005","73.92","0.006","2579.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H74 Al N2 O4 P -","- C54.5 H74 Al N2 O4 P -","- C109 H148 Al2 N4 O8 P2 -","2","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","x-ray","0.71073","MoKα","","0.1577","0.0854","","","0.1831","0.2318","","","","","","1.034","","","","has coordinates,has disorder","224280","2020-10-21","18:00:00",""
"7049322","13.6492","0.0007","17.844","0.0009","18.4747","0.0009","66.0282","0.0014","76.756","0.0015","88.0975","0.0015","3993.1","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H73 B F24 P3 Pd -","- C68 H73 B F24 P3 Pd -","- C136 H146 B2 F48 P6 Pd2 -","2","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Oxidation reactions of a nucleophilic palladium carbene: mono and bi-radical carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9663","9668","10.1039/c9dt00585d","","","0.71073","MoKα","","0.0616","0.05","","","0.1349","0.1416","","","","","","1.083","","","","has coordinates,has disorder","224057","2020-10-21","18:00:00",""
"7049323","14.6121","0.0003","36.4414","0.0008","15.6562","0.0003","90","","90.1128","0.0012","90","","8336.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 P4 Pd2 S2 -","- C76 H110 P4 Pd2 S2 -","- C304 H440 P16 Pd8 S8 -","4","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Oxidation reactions of a nucleophilic palladium carbene: mono and bi-radical carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9663","9668","10.1039/c9dt00585d","","","1.54178","CuKα","","0.0479","0.0401","","","0.0966","0.1009","","","","","","1.057","","","","has coordinates","224057","2020-10-21","18:00:00",""
"7049324","11.8407","0.0012","13.4567","0.0013","13.9043","0.0013","100.199","0.003","109.735","0.002","98.037","0.003","2004.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H123 O2 P4 Pd2 -","- C85 H123 O2 P4 Pd2 -","- C85 H123 O2 P4 Pd2 -","1","0.5","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Oxidation reactions of a nucleophilic palladium carbene: mono and bi-radical carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9663","9668","10.1039/c9dt00585d","","","0.71073","MoKα","","0.0361","0.0287","","","0.0698","0.0724","","","","","","1.045","","","","has coordinates,has disorder","224057","2020-10-21","18:00:00",""
"7049325","10.208","0.002","17.62","0.003","17.915","0.005","90","","120.94","0.02","90","","2763.8","1.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 Al Cl4 Mn3 O15 Pb -","- C15 Al Cl4 Mn3 O15 Pb -","- C60 Al4 Cl16 Mn12 O60 Pb4 -","4","1","","Wolf, Silke; Fenske, Dieter; Klopper, Wim; Feldmann, Claus","[Pb{Mn(CO)<sub>5</sub>}<sub>3</sub>][AlCl<sub>4</sub>]: a lead-manganese carbonyl with AlCl<sub>4</sub>-linked PbMn<sub>3</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4696","4701","10.1039/c9dt00309f","","","1.34143","GaKα","","0.0344","0.0325","","","0.0876","0.0889","","","","","","0.998","","","","has coordinates","224294","2020-10-21","18:00:00",""
"7049326","15.159","0.0014","15.298","0.001","16.4064","0.0011","74.47","0.006","65.023","0.008","77.458","0.007","3299.3","0.5","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H56 Cl F6 Ir N6 O2 P -","- C59 H56 Cl F6 Ir N6 O2 P -","- C118 H112 Cl2 F12 Ir2 N12 O4 P2 -","2","1","","Ma, Wenli; Guo, Lihua; Tian, Zhenzhen; Zhang, Shumiao; He, Xiangdong; Li, JuanJuan; Yang, Yuliang; Liu, Zhe","Rhodamine-modified fluorescent half-sandwich iridium and ruthenium complexes: potential application as bioimaging and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4788","4793","10.1039/c9dt00999j","","x-ray","0.71073","MoKα","","0.1049","0.0882","","","0.2232","0.2386","","","","","","1.056","","","","has coordinates","224394","2020-10-21","18:00:00",""
"7049327","25.969","0.002","9.2271","0.0008","16.7645","0.0014","90","","110.189","0.001","90","","3770.3","0.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 Cl2 Cr N -","- C19 H25 Cl2 Cr N -","- C152 H200 Cl16 Cr8 N8 -","8","1","","Song, Tingting; Tao, Xin; Tong, Xiaobo; Liu, Ning; Gao, Wei; Mu, Xiaoyue; Mu, Ying","Synthesis and characterization of chromium complexes 2-Me<sub>4</sub>CpC<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>(R)NHCrCl<sub>2</sub> and their catalytic properties in ethylene homo- and co-polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4912","4920","10.1039/c9dt00448c","","","0.71073","MoKα","","0.0641","0.0452","","","0.1077","0.1173","","","","","","1.054","","","","has coordinates","224396","2020-10-21","18:00:00",""
"7049328","10.459","0.0008","26.893","0.002","8.5983","0.0006","90","","113.723","0.001","90","","2214.1","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl2 Cr N -","- C24 H27 Cl2 Cr N -","- C96 H108 Cl8 Cr4 N4 -","4","1","","Song, Tingting; Tao, Xin; Tong, Xiaobo; Liu, Ning; Gao, Wei; Mu, Xiaoyue; Mu, Ying","Synthesis and characterization of chromium complexes 2-Me<sub>4</sub>CpC<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>(R)NHCrCl<sub>2</sub> and their catalytic properties in ethylene homo- and co-polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4912","4920","10.1039/c9dt00448c","","","0.71073","MoKα","","0.0631","0.0457","","","0.1043","0.1131","","","","","","1.049","","","","has coordinates","224396","2020-10-21","18:00:00",""
"7049329","15.3969","0.0007","18.3161","0.0009","8.5618","0.0004","90","","90","","90","","2414.5","0.2","185","2","185","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H31 Cl2 Cr N -","- C26 H31 Cl2 Cr N -","- C104 H124 Cl8 Cr4 N4 -","4","1","","Song, Tingting; Tao, Xin; Tong, Xiaobo; Liu, Ning; Gao, Wei; Mu, Xiaoyue; Mu, Ying","Synthesis and characterization of chromium complexes 2-Me<sub>4</sub>CpC<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>(R)NHCrCl<sub>2</sub> and their catalytic properties in ethylene homo- and co-polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4912","4920","10.1039/c9dt00448c","","","0.71073","MoKα","","0.0516","0.0455","","","0.1128","0.1172","","","","","","0.999","","","","has coordinates","224396","2020-10-21","18:00:00",""
"7049330","7.7805","0.0007","11.466","0.0009","17.7938","0.0014","79.227","0.003","86.607","0.003","72.168","0.003","1484.5","0.2","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C42 H44 B4 Cl4 N24 Ni O4 S4 Y2 -","- C42 H44 B4 Cl4 N24 Ni O4 S4 Y2 -","- C42 H44 B4 Cl4 N24 Ni O4 S4 Y2 -","1","0.5","","McGuire, Jake; Wilson, Bradley; McAllister, James; Miras, Haralampos N.; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","Molecular and electronic structure of the dithiooxalato radical ligand stabilised by rare earth coordination.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5491","5495","10.1039/c9dt00688e","","","0.71073","MoKα","","0.0466","0.0383","","","0.0934","0.0969","","","","","","1.07","","","","has coordinates,has disorder","224098","2020-10-21","18:00:00",""
"7049331","7.7538","0.0016","11.475","0.002","17.902","0.004","79.546","0.003","86.774","0.003","72.601","0.003","1494.7","0.5","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H44 B4 Cl4 Gd2 N24 Ni O4 S4 -","- C42 H44 B4 Cl4 Gd2 N24 Ni O4 S4 -","- C42 H44 B4 Cl4 Gd2 N24 Ni O4 S4 -","1","0.5","","McGuire, Jake; Wilson, Bradley; McAllister, James; Miras, Haralampos N.; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","Molecular and electronic structure of the dithiooxalato radical ligand stabilised by rare earth coordination.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5491","5495","10.1039/c9dt00688e","","","0.71073","MoKα","","0.0426","0.0314","","","0.0592","0.0633","","","","","","1.022","","","","has coordinates","224098","2020-10-21","18:00:00",""
"7049332","21.452","0.003","18.321","0.003","18.014","0.003","90","","113.699","0.002","90","","6482.8","1.8","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 B4 Co N25 Ni O4 S4 Y2 -","- C52 H53 B4 Co N25 Ni O4 S4 Y2 -","- C208 H212 B16 Co4 N100 Ni4 O16 S16 Y8 -","4","1","","McGuire, Jake; Wilson, Bradley; McAllister, James; Miras, Haralampos N.; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","Molecular and electronic structure of the dithiooxalato radical ligand stabilised by rare earth coordination.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5491","5495","10.1039/c9dt00688e","","","0.71073","MoKα","","0.096","0.0444","","","0.0869","0.1094","","","","","","1.031","","","","has coordinates","224098","2020-10-21","18:00:00",""
"7049333","7.5323","0.0004","21.6051","0.0013","17.9843","0.001","90","","90.339","0.002","90","","2926.6","0.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cl8 Ni O4 P2 S4 Sn2 -","- C52 H40 Cl8 Ni O4 P2 S4 Sn2 -","- C104 H80 Cl16 Ni2 O8 P4 S8 Sn4 -","2","0.5","","McGuire, Jake; Wilson, Bradley; McAllister, James; Miras, Haralampos N.; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","Molecular and electronic structure of the dithiooxalato radical ligand stabilised by rare earth coordination.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5491","5495","10.1039/c9dt00688e","","","0.71073","MoKα","","0.042","0.029","","","0.0646","0.0738","","","","","","1.063","","","","has coordinates","224098","2020-10-21","18:00:00",""
"7049334","21.5505","0.0014","18.3268","0.0009","18.0741","0.0011","90","","113.674","0.002","90","","6537.7","0.7","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 B4 Co Gd2 N25 Ni O4 S4 -","- C52 H53 B4 Co Gd2 N25 Ni O4 S4 -","- C208 H212 B16 Co4 Gd8 N100 Ni4 O16 S16 -","4","1","","McGuire, Jake; Wilson, Bradley; McAllister, James; Miras, Haralampos N.; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","Molecular and electronic structure of the dithiooxalato radical ligand stabilised by rare earth coordination.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5491","5495","10.1039/c9dt00688e","","","0.71073","MoKα","","0.0642","0.0383","","","0.0902","0.1069","","","","","","1.049","","","","has coordinates","224098","2020-10-21","18:00:00",""
"7049335","19.81","0.009","4.548","0.002","16.353","0.007","90","","105.47","0.03","90","","1420","1.1","99","2","99","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N6 O -","- C15 H12 N6 O -","- C60 H48 N24 O4 -","4","0.5","","Mondal, Amita; Roy Chowdhury, Additi; Bhuyan, Samuzal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata","A simple urea-based multianalyte and multichannel chemosensor for the selective detection of F<sup>-</sup>, Hg<sup>2+</sup> and Cu<sup>2+</sup> in solution and cells and the extraction of Hg<sup>2+</sup> and Cu<sup>2+</sup> from real water sources: a logic gate mimic ensemble.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4375","4386","10.1039/c8dt05097j","","","0.71073","MoKα","","0.0572","0.0466","","","0.116","0.1232","","","","","","1.093","","","","has coordinates","224271","2020-10-21","18:00:00",""
"7049336","12.9099","0.0007","14.0475","0.0009","20.4106","0.0008","88.122","0.004","89.315","0.004","65.093","0.006","3355.4","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H108 O16 Si4 Sm2 -","- C48 H108 O16 Si4 Sm2 -","- C96 H216 O32 Si8 Sm4 -","2","1","","Willauer, Aurélien R; Toniolo, Davide; Fadaei-Tirani, Farzaneh; Yang, Yan; Laurent, Maron; Mazzanti, Marinella","Carbon dioxide reduction by dinuclear Yb(ii) and Sm(ii) complexes supported by siloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6100","6110","10.1039/c9dt00554d","","x-ray","1.54184","CuKα","","0.0887","0.0661","","","0.1656","0.1848","","","","","","1.024","","","","has coordinates,has disorder","224418","2020-10-21","18:00:00",""
"7049337","9.5823","0.0014","14.4327","0.0018","16.33","0.003","64.364","0.011","85.709","0.014","83.694","0.012","2022.8","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H134 O22 Si4 Yb2 -","- C58 H134 O22 Si4 Yb2 -","- C58 H134 O22 Si4 Yb2 -","1","0.5","","Willauer, Aurélien R; Toniolo, Davide; Fadaei-Tirani, Farzaneh; Yang, Yan; Laurent, Maron; Mazzanti, Marinella","Carbon dioxide reduction by dinuclear Yb(ii) and Sm(ii) complexes supported by siloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6100","6110","10.1039/c9dt00554d","","","0.71073","MoKα","","0.0899","0.0564","","","0.0821","0.092","","","","","","1.118","","","","has coordinates","224418","2020-10-21","18:00:00",""
"7049338","13.1265","0.0002","15.6137","0.0003","18.8708","0.0004","72.6073","0.0017","80.2421","0.0015","79.3717","0.0013","3600.42","0.12","140.01","0.1","140.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C98 H216 O36 Si8 Yb4 -","- C98 H216 O36 Si8 Yb4 -","- C98 H216 O36 Si8 Yb4 -","1","0.5","","Willauer, Aurélien R; Toniolo, Davide; Fadaei-Tirani, Farzaneh; Yang, Yan; Laurent, Maron; Mazzanti, Marinella","Carbon dioxide reduction by dinuclear Yb(ii) and Sm(ii) complexes supported by siloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6100","6110","10.1039/c9dt00554d","","x-ray","1.54184","CuKα","","0.0228","0.0215","","","0.0541","0.0548","","","","","","1.049","","","","has coordinates,has disorder","224418","2020-10-21","18:00:00",""
"7049339","34.217","0.002","14.6315","0.0007","30.14","0.002","90","","90.606","0.006","90","","15088.6","1.5","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H216 O38 Si8 Sm4 -","- C98 H216 O38 Si8 Sm4 -","- C392 H864 O152 Si32 Sm16 -","4","0.5","","Willauer, Aurélien R; Toniolo, Davide; Fadaei-Tirani, Farzaneh; Yang, Yan; Laurent, Maron; Mazzanti, Marinella","Carbon dioxide reduction by dinuclear Yb(ii) and Sm(ii) complexes supported by siloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6100","6110","10.1039/c9dt00554d","","x-ray","1.54184","CuKα","","0.1021","0.0729","","","0.176","0.1911","","","","","","1.055","","","","has coordinates,has disorder","224418","2020-10-21","18:00:00",""
"7049340","24.6354","0.0017","9.6299","0.0006","24.8317","0.0016","90","","96.409","0.005","90","","5854.2","0.7","110","2","110","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C66 H68 Cl2 F Fe N4 P4 -","- C66 H68 Cl2 F Fe N4 P4 -","- C264 H272 Cl8 F4 Fe4 N16 P16 -","4","0.5","","Liao, Qian; Liu, Tianbiao; Johnson, Samantha I.; Klug, Christina M.; Wiedner, Eric S.; Morris Bullock, R.; DuBois, Daniel L.","Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4867","4878","10.1039/c9dt00708c","","","0.71073","MoKα","","0.0614","0.0524","","","0.1368","0.1446","","","","","","1.046","","","","has coordinates","224385","2020-10-21","18:00:00",""
"7049341","21.108","0.001","12.9961","0.0006","21.7498","0.001","90","","100.643","0.002","90","","5863.8","0.5","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H73 Cl Fe N4 P4 -","- C67 H73 Cl Fe N4 P4 -","- C268 H292 Cl4 Fe4 N16 P16 -","4","1","","Liao, Qian; Liu, Tianbiao; Johnson, Samantha I.; Klug, Christina M.; Wiedner, Eric S.; Morris Bullock, R.; DuBois, Daniel L.","Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4867","4878","10.1039/c9dt00708c","","","0.71073","MoKα","","0.0752","0.0525","","","0.1263","0.1415","","","","","","1.014","","","","has coordinates,has disorder","224385","2020-10-21","18:00:00",""
"7049342","17.627","0.0013","13.4966","0.0009","37.96","0.003","90","","91.998","0.003","90","","9025.4","1.1","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H76 B F24 Fe N4 O P4 -","- C93 H76 B F24 Fe N4 O P4 -","- C372 H304 B4 F96 Fe4 N16 O4 P16 -","4","1","","Liao, Qian; Liu, Tianbiao; Johnson, Samantha I.; Klug, Christina M.; Wiedner, Eric S.; Morris Bullock, R.; DuBois, Daniel L.","Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4867","4878","10.1039/c9dt00708c","","","0.71073","MoKα","","0.0921","0.055","","","0.1148","0.1327","","","","","","1.013","","","","has coordinates,has disorder","224385","2020-10-21","18:00:00",""
"7049343","6.1929","0.0002","6.9679","0.0003","10.3926","0.0004","87.373","0.002","85.141","0.002","71.754","0.002","424.29","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- Ag8 O6 Pt -","- Ag8 O6 Pt -","- Ag16 O12 Pt2 -","2","1","","Thakur, Gohil Singh; Reuter, Hans; Rosner, Helge; Fecher, Gerhard H.; Felser, Claudia; Jansen, Martin","New Ag<sub>8</sub>PtO<sub>6</sub>: synthesis, crystal structure, physical properties and theoretical analyses.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5058","5063","10.1039/c8dt05081c","","","0.71073","MoKα","","0.0143","0.0139","","","0.0293","0.0294","","","","","","1.141","","","","has coordinates","224398","2020-10-21","18:00:00",""
"7049344","12.053","0.004","12.394","0.004","12.694","0.004","89.115","0.006","87.656","0.007","75.046","0.006","1830.5","1","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Cl Co N2 P -","- C42 H47 Cl Co N2 P -","- C84 H94 Cl2 Co2 N4 P2 -","2","1","","Gao, Yafei; Chen, Qi; Leng, Xuebing; Deng, Liang","Cyclometallation reactions of a three-coordinate cobalt(i) complex bearing a nonsymmetric N-heterocyclic carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9676","9683","10.1039/c9dt00731h","","","0.71073","MoKα","","0.1558","0.0637","","","0.1194","0.1542","","","","","","0.929","","","","has coordinates","224066","2020-10-21","18:00:00",""
"7049345","18.139","0.005","14.698","0.004","17.703","0.005","90","","113.541","0.004","90","","4327","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 Co N2 P -","- C51 H67 Co N2 P -","- C204 H268 Co4 N8 P4 -","4","1","","Gao, Yafei; Chen, Qi; Leng, Xuebing; Deng, Liang","Cyclometallation reactions of a three-coordinate cobalt(i) complex bearing a nonsymmetric N-heterocyclic carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9676","9683","10.1039/c9dt00731h","","","0.71073","MoKα","","0.1156","0.0712","","","0.1731","0.2021","","","","","","1.03","","","","has coordinates","224066","2020-10-21","18:00:00",""
"7049346","20.7929","0.0017","10.5688","0.0008","22.0184","0.0018","90","","90","","90","","4838.7","0.7","293","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Co N2 -","- C29 H36 Co N2 -","- C232 H288 Co8 N16 -","8","1","","Gao, Yafei; Chen, Qi; Leng, Xuebing; Deng, Liang","Cyclometallation reactions of a three-coordinate cobalt(i) complex bearing a nonsymmetric N-heterocyclic carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9676","9683","10.1039/c9dt00731h","","","0.71073","MoKα","","0.1142","0.0964","","","0.1663","0.1748","","","","","","1.192","","","","has coordinates,has disorder","224066","2020-10-21","18:00:00",""
"7049347","11.7137","0.0014","11.7791","0.0013","17.1943","0.0019","73.315","0.002","81.611","0.002","62.113","0.002","2008.4","0.4","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H57 Co N2 P Si -","- C46 H57 Co N2 P Si -","- C92 H114 Co2 N4 P2 Si2 -","2","1","","Gao, Yafei; Chen, Qi; Leng, Xuebing; Deng, Liang","Cyclometallation reactions of a three-coordinate cobalt(i) complex bearing a nonsymmetric N-heterocyclic carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9676","9683","10.1039/c9dt00731h","","","0.71073","MoKα","","0.0991","0.0569","","","0.1338","0.1602","","","","","","0.897","","","","has coordinates","224066","2020-10-21","18:00:00",""
"7049348","10.8991","0.0002","16.1046","0.0003","16.9882","0.0003","90","","104.09","0.002","90","","2892.15","0.09","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B2 Fe N6 O6 -","- C28 H28 B2 Fe N6 O6 -","- C112 H112 B8 Fe4 N24 O24 -","4","1","","Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay","Porous networks based on iron(ii) clathrochelate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4582","4588","10.1039/c9dt00546c","","x-ray","1.54184","CuKα","","0.064","0.0603","","","0.17","0.1762","","","","","","1.049","","","","has coordinates","224288","2020-10-21","18:00:00",""
"7049349","30.5087","0.0008","9.8259","0.0002","46.0071","0.0017","90","","97.269","0.003","90","","13681","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 B2 Fe N6 O6 -","- C34 H34 B2 Fe N6 O6 -","- C544 H544 B32 Fe16 N96 O96 -","16","2","","Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay","Porous networks based on iron(ii) clathrochelate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4582","4588","10.1039/c9dt00546c","","x-ray","1.54184","CuKα","","0.1281","0.117","","","0.3284","0.3377","","","","","","1.067","","","","has coordinates,has disorder","224288","2020-10-21","18:00:00",""
"7049350","14.0642","0.0006","17.8345","0.0008","16.96","0.0008","90","","90","","90","","4254","0.3","140","0.1","140","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C33 H33 B2 Br4 Fe N6 O6 -","- C33 H33 B2 Br4 Fe N6 O6 -","- C132 H132 B8 Br16 Fe4 N24 O24 -","4","1","","Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay","Porous networks based on iron(ii) clathrochelate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4582","4588","10.1039/c9dt00546c","","x-ray","0.71073","MoKα","","0.1377","0.068","","","0.1659","0.2005","","","","","","1.029","","","","has coordinates,has disorder","224288","2020-10-21","18:00:00",""
"7049351","8.3419","0.0004","11.3931","0.0005","15.5621","0.0007","104.962","0.002","93.099","0.002","109.088","0.002","1334.69","0.11","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H44 Al Cl N2 O Si4 -","- C16 H44 Al Cl N2 O Si4 -","- C32 H88 Al2 Cl2 N4 O2 Si8 -","2","1","","Vancompernolle, Tom; Merle, Nicolas; Capet, Frédéric; Del Rosal, Iker; Laurent, Maron; Delevoye, Laurent; Pourpoint, Frédérique; Gauvin, Régis M","Grafting of a new bis-silylamido aluminum species on silica: insight from solid-state NMR into interactions with the surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5243","5252","10.1039/c9dt00845d","","","0.71073","MoKα","","0.038","0.0294","","","0.074","0.079","","","","","","1.034","","","","has coordinates,has disorder","224197","2020-10-21","18:00:00",""
"7049352","6.4374","0.0002","17.222","0.0007","21.0699","0.0009","90","","90","","90","","2335.91","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl O P S -","- C27 H22 Cl O P S -","- C108 H88 Cl4 O4 P4 S4 -","4","1","","Tay, Wee Shan; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Investigating palladium pincer complexes in catalytic asymmetric hydrophosphination and hydroarsination.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4602","4610","10.1039/c9dt00221a","","","0.71073","MoKα","","0.0864","0.0537","","","0.1042","0.1224","","","","","","1.018","","","","has coordinates","224290","2020-10-21","18:00:00",""
"7049353","6.1992","0.0002","7.3524","0.0002","21.2601","0.0005","90","","90.997","0.001","90","","968.87","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 As2 -","- C24 H20 As2 -","- C48 H40 As4 -","2","0.5","","Tay, Wee Shan; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Investigating palladium pincer complexes in catalytic asymmetric hydrophosphination and hydroarsination.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4602","4610","10.1039/c9dt00221a","","","0.71073","MoKα","","0.0669","0.0376","","","0.0641","0.0742","","","","","","1.021","","","","has coordinates","224290","2020-10-21","18:00:00",""
"7049354","18.484","0.006","10.708","0.003","17.311","0.006","90","","90","","90","","3426.3","1.9","100","","100","","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C34 H34 F6 O6 P2 Ru -","- C34 H34 F6 O6 P2 Ru -","- C136 H136 F24 O24 P8 Ru4 -","4","1","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0593","0.0427","","","0.0964","0.1112","","","","","","1.082","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049355","13.584","0.003","39.646","0.009","14.247","0.003","90","","100.978","0.013","90","","7532","3","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H72 Cl5 F3 O7 P4 Ru2 -","- C80 H72 Cl5 F3 O7 P4 Ru2 -","- C320 H288 Cl20 F12 O28 P16 Ru8 -","4","1","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0832","0.0486","","","0.1102","0.1249","","","","","","1.025","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049356","10.6493","0.0008","10.9413","0.0008","17.1095","0.0013","72.02","0.003","77.186","0.003","65.201","0.003","1711.5","0.2","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C34 H36 F6 N2 O4 P2 Ru -","- C34 H36 F6 N2 O4 P2 Ru -","- C68 H72 F12 N4 O8 P4 Ru2 -","2","1","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.027","0.0237","","","0.0548","0.0567","","","","","","1.053","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049357","10.7843","0.0009","16.6625","0.0013","24.113","0.0019","90","","96.281","0.003","90","","4306.9","0.6","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 F18 O12 P4 Ru2 Tl2 -","- C84 H60 F18 O12 P4 Ru2 Tl2 -","- C168 H120 F36 O24 P8 Ru4 Tl4 -","2","0.5","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.024","0.0197","","","0.0458","0.0469","","","","","","1.059","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049358","10.8399","0.0006","11.0183","0.0006","21.0415","0.0012","95.63","0.002","101.051","0.002","114.3","0.002","2203.6","0.2","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C92 H84 F12 O8 P6 Ru2 -","- C92 H84 F12 O8 P6 Ru2 -","- C92 H84 F12 O8 P6 Ru2 -","1","0.5","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0373","0.0337","","","0.067","0.0685","","","","","","1.069","","","","has coordinates","224297","2020-10-21","18:00:00",""
"7049359","13.819","0.003","39.501","0.01","14.479","0.004","90","","100.849","0.014","90","","7762","3","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H64 Cl3 F9 O7 P4 Ru2 -","- C78.999 H64 Cl3 F8.997 O7 P4 Ru2 -","- C315.996 H256 Cl12 F35.988 O28 P16 Ru8 -","4","1","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0466","0.0324","","","0.0683","0.073","","","","","","1.016","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049360","13.639","0.007","39.5","0.02","14.472","0.008","90","","100.941","0.016","90","","7655","7","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H67 Cl3 F6 O7 P4 Ru2 -","- C79 H67 Cl3 F6 O7 P4 Ru2 -","- C316 H268 Cl12 F24 O28 P16 Ru8 -","4","1","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0687","0.0458","","","0.1006","0.1101","","","","","","1.008","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049361","11.996","0.0014","30.198","0.004","44.214","0.005","90","","90","","90","","16017","3","100","","100","","","","","","","","see text","6","I b c a","-I 2b 2c","73","","","","- C80 H62 F12 O9 P4 Ru2 -","- C80 H62 F12 O9 P4 Ru2 -","- C640 H496 F96 O72 P32 Ru16 -","8","0.5","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0765","0.0674","","","0.1604","0.1707","","","","","","1.068","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049362","17.8573","0.0008","11.1476","0.0005","17.9233","0.0007","90","","90","","90","","3567.9","0.3","150","","150","","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C16 H56 Ca Li2 N4 Si8 -","- C16 H56 Ca Li2 N4 Si8 -","- C64 H224 Ca4 Li8 N16 Si32 -","4","0.5","","le Coz, Erwann; Roueindeji, Hanieh; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Heterobimetallic Ba/Li and Ca/Li amides and diphenylmethanide.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5500","5504","10.1039/c9dt00771g","","x-ray","0.71073","MoKα","","0.0407","0.0334","","","0.0792","0.0849","","","","","","1.109","","","","has coordinates","224100","2020-10-21","18:00:00",""
"7049363","16.8123","0.0018","11.625","0.0013","28.427","0.003","90","","96.337","0.004","90","","5521.9","1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H84 Ba2 Li2 N6 Si12 -","- C24 H84 Ba2 Li2 N6 Si12 -","- C96 H336 Ba8 Li8 N24 Si48 -","4","1","","le Coz, Erwann; Roueindeji, Hanieh; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Heterobimetallic Ba/Li and Ca/Li amides and diphenylmethanide.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5500","5504","10.1039/c9dt00771g","","x-ray","0.71073","MoKα","","0.0429","0.0374","","","0.0908","0.0936","","","","","","1.146","","","","has coordinates","224100","2020-10-21","18:00:00",""
"7049364","13.991","0.002","25.818","0.003","15.859","0.002","90","","103.45","0.005","90","","5571.5","1.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H83 Ca Li N4 O2 -","- C59 H83 Ca Li N4 O2 -","- C236 H332 Ca4 Li4 N16 O8 -","4","1","","le Coz, Erwann; Roueindeji, Hanieh; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Heterobimetallic Ba/Li and Ca/Li amides and diphenylmethanide.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5500","5504","10.1039/c9dt00771g","","x-ray","0.71073","MoKα","","0.0754","0.0597","","","0.1583","0.1728","","","","","","1.021","","","","has coordinates,has disorder","224100","2020-10-21","18:00:00",""
"7049365","12.7101","0.0005","26.1516","0.0012","15.7091","0.0007","90","","92.9222","0.0011","90","","5214.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Mn O2 P2 S3 Si3 -","- C49 H59 Mn O2 P2 S3 Si3 -","- C196 H236 Mn4 O8 P8 S12 Si12 -","4","1","","Lee, Chien-Ming; Sankaralingam, Muniyandi; Chuo, Chi-He; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Chiang, Ming-Hsi; Li, Xiao-Xi; Lee, Yong-Min; Nam, Wonwoo","A Mn(iv)-peroxo complex in the reactions with proton donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5203","5213","10.1039/c9dt00649d","","","0.71073","MoKα","","0.0859","0.0639","","","0.1312","0.1406","","","","","","1.13","","","","has coordinates,has disorder","224188","2020-10-21","18:00:00",""
"7049366","14.0964","0.0002","27.5253","0.0004","17.3067","0.0002","90","","99.8295","0.0006","90","","6616.55","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H71 Mn N P3 S4 Si3 -","- C69 H71 Mn N P3 S4 Si3 -","- C276 H284 Mn4 N4 P12 S16 Si12 -","4","1","","Lee, Chien-Ming; Sankaralingam, Muniyandi; Chuo, Chi-He; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Chiang, Ming-Hsi; Li, Xiao-Xi; Lee, Yong-Min; Nam, Wonwoo","A Mn(iv)-peroxo complex in the reactions with proton donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5203","5213","10.1039/c9dt00649d","","","0.71073","MoKα","","0.0714","0.0531","","","0.1581","0.1674","","","","","","1.115","","","","has coordinates","224188","2020-10-21","18:00:00",""
"7049367","10.9507","0.0004","19.2495","0.0008","25.3023","0.0011","90","","100.631","0.0011","90","","5242.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Mn O P2 S3 Si3 -","- C51 H64 Mn O P2 S3 Si3 -","- C204 H256 Mn4 O4 P8 S12 Si12 -","4","1","","Lee, Chien-Ming; Sankaralingam, Muniyandi; Chuo, Chi-He; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Chiang, Ming-Hsi; Li, Xiao-Xi; Lee, Yong-Min; Nam, Wonwoo","A Mn(iv)-peroxo complex in the reactions with proton donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5203","5213","10.1039/c9dt00649d","","","0.71073","MoKα","","0.0809","0.0543","","","0.1145","0.1255","","","","","","1.049","","","","has coordinates","224188","2020-10-21","18:00:00",""
"7049368","15.0558","0.0006","15.3325","0.0006","16.6334","0.0006","76.5443","0.0008","76.9538","0.0009","65.641","0.0007","3365.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H79 Mn N O2 P3 S3 Si3 -","- C68 H79 Mn N O2 P3 S3 Si3 -","- C136 H158 Mn2 N2 O4 P6 S6 Si6 -","2","1","","Lee, Chien-Ming; Sankaralingam, Muniyandi; Chuo, Chi-He; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Chiang, Ming-Hsi; Li, Xiao-Xi; Lee, Yong-Min; Nam, Wonwoo","A Mn(iv)-peroxo complex in the reactions with proton donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5203","5213","10.1039/c9dt00649d","","","0.71073","MoKα","","0.0642","0.0492","","","0.1155","0.123","","","","","","1.042","","","","has coordinates","224188","2020-10-21","18:00:00",""
"7049369","14.0431","0.0007","27.6116","0.0014","17.2199","0.0009","90","","99.8492","0.0012","90","","6578.6","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H71 Mn N O P3 S3 Si3 -","- C69 H71 Mn N O P3 S3 Si3 -","- C276 H284 Mn4 N4 O4 P12 S12 Si12 -","4","1","","Lee, Chien-Ming; Sankaralingam, Muniyandi; Chuo, Chi-He; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Chiang, Ming-Hsi; Li, Xiao-Xi; Lee, Yong-Min; Nam, Wonwoo","A Mn(iv)-peroxo complex in the reactions with proton donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5203","5213","10.1039/c9dt00649d","","","0.71073","MoKα","","0.0677","0.047","","","0.1038","0.1137","","","","","","1.025","","","","has coordinates","224188","2020-10-21","18:00:00",""
"7049370","10.2504","0.0004","12.247","0.0005","15.0718","0.0006","73.311","0.004","76.05","0.003","88.129","0.003","1757.55","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H46 Cl2 Cu N9 O3.5 -","- C33 H45 Cl2 Cu N9 O3.5 -","- C66 H90 Cl4 Cu2 N18 O7 -","2","1","","Garau, Alessandra; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Conti, Luca; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Mariani, Palma; Scorciapino, Mariano Andrea","[9]aneN<sub>3</sub>-based fluorescent receptors for metal ion sensing, featuring urea and amide functional groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4949","4960","10.1039/c9dt00288j","","","1.54184","CuKα","","0.0463","0.0373","","","0.0943","0.101","","","","","","1.04","","","","has coordinates","224379","2020-10-21","18:00:00",""
"7049371","10.757","0.004","11.917","0.004","14.635","0.005","88.72","0.03","85.72","0.03","87.84","0.03","1869.2","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H51 N9 O7 Zn -","- C37 H51 N9 O7 Zn -","- C74 H102 N18 O14 Zn2 -","2","1","","Garau, Alessandra; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Conti, Luca; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Mariani, Palma; Scorciapino, Mariano Andrea","[9]aneN<sub>3</sub>-based fluorescent receptors for metal ion sensing, featuring urea and amide functional groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4949","4960","10.1039/c9dt00288j","","","0.71073","MoKα","","0.0483","0.0375","","","0.1039","0.1065","","","","","","1.097","","","","has coordinates,has disorder","224379","2020-10-21","18:00:00",""
"7049372","16.8909","0.0003","10.8298","0.0003","39.2281","0.0014","90","","90","","90","","7175.8","0.3","120","2","120","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H38 Cu N10 O6 -","- C39 H38 Cu N10 O6 -","- C312 H304 Cu8 N80 O48 -","8","1","","Garau, Alessandra; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Conti, Luca; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Mariani, Palma; Scorciapino, Mariano Andrea","[9]aneN<sub>3</sub>-based fluorescent receptors for metal ion sensing, featuring urea and amide functional groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4949","4960","10.1039/c9dt00288j","","x-ray","1.54184","CuKα","","0.1031","0.0981","","","0.2177","0.2196","","","","","","1.188","","","","has coordinates","224379","2020-10-21","18:00:00",""
"7049373","7.74","0.005","10.095","0.005","12.203","0.005","108.914","0.005","102.309","0.005","100.172","0.005","849.6","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Br Mn N3 O3 -","- C17 H13 Br Mn N3 O3 -","- C34 H26 Br2 Mn2 N6 O6 -","2","1","","Ganguli, Kasturi; Shee, Sujan; Panja, Dibyajyoti; Kundu, Sabuj","Cooperative Mn(i)-complex catalyzed transfer hydrogenation of ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7358","7366","10.1039/c8dt05001e","","","0.71073","MoKα","","0.026","0.0212","","","0.0518","0.0541","","","","","","1.072","","","","has coordinates","224459","2020-10-21","18:00:00",""
"7049374","14.652","0.0013","29.737","0.003","10.2242","0.001","90","","90","","90","","4454.8","0.7","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H14 Br Mn N4 O3 -","- C20 H14 Br Mn N4 O3 -","- C160 H112 Br8 Mn8 N32 O24 -","8","2","","Ganguli, Kasturi; Shee, Sujan; Panja, Dibyajyoti; Kundu, Sabuj","Cooperative Mn(i)-complex catalyzed transfer hydrogenation of ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7358","7366","10.1039/c8dt05001e","","","0.71073","MoKα","","0.0806","0.0493","","","0.1121","0.1292","","","","","","1.027","","","","has coordinates","224459","2020-10-21","18:00:00",""
"7049375","13.198","0.005","13.198","0.005","23.606","0.009","90","","90","","120","","3561","2","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C60 H72 Br6 N6 Ni3 -","- C60 H72 Br6 N6 Ni3 -","- C120 H144 Br12 N12 Ni6 -","2","0.166667","","Shen, Lingyi; Zhao, Yanxia; Luo, Qiong; Li, Qian-Shu; Liu, Bin; Redshaw, Carl; Wu, Biao; Yang, Xiao-Juan","Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4643","4649","10.1039/c9dt00819e","","","0.71073","MoKα","","0.1348","0.0952","","","0.183","0.1967","","","","","","1.144","","","","has coordinates","224298","2020-10-21","18:00:00",""
"7049376","22.007","0.007","12.847","0.007","11.149","0.005","90","","112.394","0.008","90","","2914","2","153","2","153","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C33 H29 O6 -","- C33 H25 O6 -","- C132 H100 O24 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Luo, Qiong; Li, Qian-Shu; Liu, Bin; Redshaw, Carl; Wu, Biao; Yang, Xiao-Juan","Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4643","4649","10.1039/c9dt00819e","","","0.71073","MoKα","","0.0928","0.062","","","0.1312","0.1446","","","","","","1.12","","","","has coordinates,has disorder","224298","2020-10-21","18:00:00",""
"7049377","13.172","0.0018","20.129","0.003","21.285","0.003","90","","103.793","0.002","90","","5480.7","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 N6 Ni3 -","- C60 H72 N6 Ni3 -","- C240 H288 N24 Ni12 -","4","1","","Shen, Lingyi; Zhao, Yanxia; Luo, Qiong; Li, Qian-Shu; Liu, Bin; Redshaw, Carl; Wu, Biao; Yang, Xiao-Juan","Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4643","4649","10.1039/c9dt00819e","","","0.71073","MoKα","","0.0725","0.0419","","","0.1092","0.1279","","","","","","1.025","","","","has coordinates","224298","2020-10-21","18:00:00",""
"7049378","15.12491","0.00015","16.78345","0.00017","24.6601","0.0003","91.6386","0.0008","104.473","0.0009","104.421","0.0009","5842.7","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H192 Co4 N4 O2 P10 -","- C110 H192 Co4 N4 O2 P10 -","- C220 H384 Co8 N8 O4 P20 -","2","1","","Rajpurohit, Jitendrasingh; Shanmugam, Maheswaran","The molecular and electronic structure of an unusual cobalt NNO pincer ligand complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7378","7387","10.1039/c9dt00056a","","","0.71073","MoKα","","0.0534","0.0418","","","0.0968","0.1025","","","","","","1.063","","","","has coordinates","224451","2020-10-21","18:00:00",""
"7049379","9.449","0.003","10.482","0.003","14.853","0.004","102.318","0.005","95.597","0.004","99.344","0.004","1404.8","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 B2 N2 O2 -","- C28 H44 B2 N2 O2 -","- C56 H88 B4 N4 O4 -","2","1","","Yagi, Atsumi; Kisu, Haruki; Yamashita, Makoto","Synthesis of a hydrogen-bridged tetraborane(6): a substituent effect of a diaminoboryl group toward the B-B multiple bond character.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5496","5499","10.1039/c9dt01117j","","","0.71075","MoKα","","0.075","0.0489","","","0.1088","0.1216","","","","","","0.943","","","","has coordinates","224105","2020-10-21","18:00:00",""
"7049380","48.944","0.003","12.4873","0.0003","21.702","0.0014","90","","129.509","0.01","90","","10233.3","1.7","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H78 B4 N4 -","- C52 H78 B4 N4 -","- C416 H624 B32 N32 -","8","1","","Yagi, Atsumi; Kisu, Haruki; Yamashita, Makoto","Synthesis of a hydrogen-bridged tetraborane(6): a substituent effect of a diaminoboryl group toward the B-B multiple bond character.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5496","5499","10.1039/c9dt01117j","","","0.71073","MoKα","","0.1312","0.0708","","","0.1257","0.1503","","","","","","1.042","","","","has coordinates","224105","2020-10-21","18:00:00",""
"7049381","9.5962","0.0019","16.165","0.003","18.035","0.004","90","","92.959","0.003","90","","2793.9","1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 B2 Br2 N2 -","- C26 H38 B2 Br2 N2 -","- C104 H152 B8 Br8 N8 -","4","1","","Yagi, Atsumi; Kisu, Haruki; Yamashita, Makoto","Synthesis of a hydrogen-bridged tetraborane(6): a substituent effect of a diaminoboryl group toward the B-B multiple bond character.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5496","5499","10.1039/c9dt01117j","","","0.71075","MoKα","","0.0941","0.0544","","","0.1059","0.1227","","","","","","0.964","","","","has coordinates","224105","2020-10-21","18:00:00",""
"7049382","11.2953","0.0005","22.4294","0.0007","10.5545","0.0004","90","","116.025","0.005","90","","2402.82","0.19","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Ba O30 Tb2 -","- C40 H36 Ba O30 Tb2 -","- C80 H72 Ba2 O60 Tb4 -","2","0.5","","Bartolomé, E; Arauzo, A.; Luzón, J; Melnic, S.; Shova, S.; Prodius, D.; Bartolomé, J; Amann, A.; Nallaiyan, M.; Spagna, S.","Slow relaxation in a {Tb<sub>2</sub>Ba(α-fur)<sub>8</sub>}<sub>n</sub> polymer with Ln = Tb(iii) non-Kramers ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5022","5034","10.1039/c8dt05044a","","x-ray","0.71073","MoKα","","0.0379","0.0302","","","0.0532","0.0564","","","","","","1.068","","","","has coordinates","224399","2020-10-21","18:00:00",""
"7049383","9.1405","0.0004","16.5696","0.0008","18.1527","0.0009","84.192","0.001","85.267","0.001","78.666","0.001","2676.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[Pd{?1-NIM-[N-(diphenylboryl)-2-benzoylpyridinketimine]}Cl(C3H5)]","","- C55 H49 B2 Cl5 N4 Pd2 -","- C55 H49 B2 Cl5 N4 Pd2 -","- C110 H98 B4 Cl10 N8 Pd4 -","2","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.0515","0.0368","","","0.0855","0.0945","","","","","","1.013","","","","has coordinates,has disorder","224106","2020-10-21","18:00:00",""
"7049384","11.2146","0.0006","18.461","0.001","22.6386","0.0012","90","","102.727","0.001","90","","4571.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[N-(diphenylboryl)-2-benzoylpyridinketimine]H+OTf-","","- C25 H20 B F3 N2 O3 S -","- C25 H20 B F3 N2 O3 S -","- C200 H160 B8 F24 N16 O24 S8 -","8","2","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.0747","0.0518","","","0.1062","0.1159","","","","","","1.057","","","","has coordinates","224106","2020-10-21","18:00:00",""
"7049385","9.789","0.006","15.693","0.009","25.897","0.015","90","","90","","90","","3978","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Pd{?1-NIM-[N-(diphenylboryl)picolinaldimine]}Cl(C3H5)].","","- C21 H20 B Cl N2 Pd -","- C21 H20 B Cl N2 Pd -","- C168 H160 B8 Cl8 N16 Pd8 -","8","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.059","0.0378","","","0.0746","0.0811","","","","","","1.061","","","","has coordinates,has disorder","224106","2020-10-21","18:00:00",""
"7049386","13.1188","0.0013","11.1397","0.0011","16.3174","0.0016","90","","110.641","0.001","90","","2231.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[N-(diphenylboryl)-2-benzoylpyridinketimine]H+Cl-","","- C26 H23 B Cl N3 -","- C26 H23 B Cl N3 -","- C104 H92 B4 Cl4 N12 -","4","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.0582","0.043","","","0.1047","0.1117","","","","","","1.025","","","","has coordinates","224106","2020-10-21","18:00:00",""
"7049387","10.9275","0.0007","15.5825","0.001","19.413","0.0013","96.589","0.001","104.476","0.001","109.115","0.001","2953.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis[(allyl)chloro(N-(diphenylboryl)-2-diphenylphosphanyl-benzaldimine)palladium]","","- C68 H60 B2 Cl2 N2 P2 Pd2 -","- C68 H60 B2 Cl2 N2 P2 Pd2 -","- C136 H120 B4 Cl4 N4 P4 Pd4 -","2","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.0574","0.0382","","","0.0906","0.0983","","","","","","1.049","","","","has coordinates,has disorder","224106","2020-10-21","18:00:00",""
"7049388","12.9999","0.0015","13.3865","0.0016","35.007","0.004","90","","90","","90","","6092","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis[(allyl)chloro{?1-P-[N-(diphenylboryl)-2-di-tert-butyl-phosphanylbenzaldimine]}palladium]","","- C61 H77 B2 Cl5 N2 P2 Pd2 -","- C61 H77 B2 Cl5 N2 P2 Pd2 -","- C244 H308 B8 Cl20 N8 P8 Pd8 -","4","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.0296","0.0261","","","0.0552","0.0565","","","","","","1.015","","","","has coordinates,has disorder","224106","2020-10-21","18:00:00",""
"7049389","13.6817","0.0003","17.1958","0.0004","17.9104","0.0004","105.877","0.002","105.185","0.002","104.788","0.002","3660.91","0.17","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H73 F10 N8 O3 Zn3 -","- C80 H73 F10 N8 O3 Zn3 -","- C160 H146 F20 N16 O6 Zn6 -","2","1","","Pankhurst, James R.; Paul, Shyeni; Zhu, Yunqing; Williams, Charlotte K.; Love, Jason B.","Polynuclear alkoxy-zinc complexes of bowl-shaped macrocycles and their use in the copolymerisation of cyclohexene oxide and CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4887","4893","10.1039/c9dt00595a","","x-ray","0.71073","MoKα","","0.0579","0.0401","","","0.0816","0.088","","","","","","1.044","","","","has coordinates,has disorder","224391","2020-10-21","18:00:00",""
"7049390","10.813","0.0006","10.9768","0.0004","12.956","0.0008","80.139","0.003","86.04","0.002","70.855","0.003","1431.12","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H13 Ag Au Cl2 F10 N3 -","- C28 H13 Ag Au Cl2 F10 N3 -","- C56 H26 Ag2 Au2 Cl4 F20 N6 -","2","1","","Gil-Moles, María; Gimeno, M Concepción; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena","Temperature-assisted formation of reversible metallophilic Au-Ag interaction arrays.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5149","5155","10.1039/c9dt00751b","","x-ray","0.71073","MoKα","","0.045","0.0366","","","0.0903","0.095","","","","","","1.023","","","","has coordinates,has disorder","224195","2020-10-21","18:00:00",""
"7049391","10.8374","0.0012","10.9982","0.001","14.095","0.0015","67.052","0.003","82.846","0.004","71.245","0.003","1464.9","0.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H19 Ag Au F10 N3 O -","- C31 H19 Ag Au F10 N3 O -","- C62 H38 Ag2 Au2 F20 N6 O2 -","2","1","","Gil-Moles, María; Gimeno, M Concepción; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena","Temperature-assisted formation of reversible metallophilic Au-Ag interaction arrays.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5149","5155","10.1039/c9dt00751b","","x-ray","0.71073","MoKα","","0.045","0.0273","","","0.0504","0.0543","","","","","","1.029","","","","has coordinates,has disorder","224195","2020-10-21","18:00:00",""
"7049392","10.451","0.0006","39.343","0.002","13.3623","0.0007","90","","106.644","0.002","90","","5264","0.5","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H51 Cu4 I25 N17 Sb7 -","- C34 H51 Cu4 I25 N17 Sb7 -","- C68 H102 Cu8 I50 N34 Sb14 -","2","1","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.1054","0.0674","","","0.118","0.1296","","","","","","1.059","","","","has coordinates,has disorder","214282","2020-10-21","18:00:00",""
"7049393","12.8463","0.0004","13.0686","0.0004","19.1151","0.0006","107.7","0.003","94.743","0.003","93","0.003","3036.56","0.17","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C32 H48 Cu4 I34 N16 Sb10 -","- C32 H48 Cu4 I34 N16 Sb10 -","- C32 H48 Cu4 I34 N16 Sb10 -","1","1","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.0532","0.035","","","0.0775","0.0801","","","","","","0.796","","","","has coordinates","214282","2020-10-21","18:00:00",""
"7049394","7.3965","0.0002","16.7953","0.0007","21.677","0.0007","90","","92.449","0.003","90","","2690.4","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Cu I7 N4 Sb2 -","- C8 H12 Cu I7 N4 Sb2 -","- C32 H48 Cu4 I28 N16 Sb8 -","4","1","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.0575","0.0312","","","0.0639","0.0671","","","","","","0.805","","","","has coordinates","214282","2020-10-21","18:00:00",""
"7049395","40.6216","0.0012","40.6216","0.0012","12.3875","0.0005","90","","90","","90","","20440.8","1.2","110","","110","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C32 H48 Cu4 I22 N16 Sb6 -","- C32 H48 Cu4 I22 N16 Sb6 -","- C256 H384 Cu32 I176 N128 Sb48 -","8","","","Dehnhardt, Natalie; Böth, André; Heine, Johanna","Surprising discoveries on the way to an old compound: four transient iodido antimonates","Dalton Transactions","2019","","","","","10.1039/C9DT00575G","","","0.71073","MoKα","","0.0709","0.0434","","","0.0812","0.0895","","","","","","1.069","","","","has coordinates","214282","2020-10-21","18:00:00",""
"7049396","19.7015","0.0004","14.7144","0.0004","16.6079","0.0004","90","","96.785","0.002","90","","4780.8","0.2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Cl2 Co N3 -","- C55 H51 Cl2 Co N3 -","- C220 H204 Cl8 Co4 N12 -","4","1","","Guo, Liwei; Zada, Muhammad; Zhang, Wenjuan; Vignesh, Arumugam; Zhu, Dongzhi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Highly linear polyethylenes tailored with 2,6-bis[1-(p-dibenzo-cycloheptylarylimino)ethyl]pyridylcobalt dichlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5604","5613","10.1039/c9dt01109a","","","0.71073","MoKα","","0.0713","0.0492","","","0.1097","0.1199","","","","","","1.05","","","","has coordinates","224102","2020-10-21","18:00:00",""
"7049397","16.408","0.003","20.9","0.004","18.114","0.004","90","","90","","90","","6212","2","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H67 Cl2 Co N3 -","- C63 H67 Cl2 Co N3 -","- C252 H268 Cl8 Co4 N12 -","4","1","","Guo, Liwei; Zada, Muhammad; Zhang, Wenjuan; Vignesh, Arumugam; Zhu, Dongzhi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Highly linear polyethylenes tailored with 2,6-bis[1-(p-dibenzo-cycloheptylarylimino)ethyl]pyridylcobalt dichlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5604","5613","10.1039/c9dt01109a","","","0.71073","MoKα","","0.0545","0.0497","","","0.1198","0.1222","","","","","","1.053","","","","has coordinates","224102","2020-10-21","18:00:00",""
"7049398","21.6315","0.0014","16.205","0.0008","16.8625","0.001","90","","103.227","0.006","90","","5754.1","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 Co N3 -","- C57 H55 Cl2 Co N3 -","- C228 H220 Cl8 Co4 N12 -","4","1","","Guo, Liwei; Zada, Muhammad; Zhang, Wenjuan; Vignesh, Arumugam; Zhu, Dongzhi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Highly linear polyethylenes tailored with 2,6-bis[1-(p-dibenzo-cycloheptylarylimino)ethyl]pyridylcobalt dichlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5604","5613","10.1039/c9dt01109a","","","0.71073","MoKα","","0.1963","0.1132","","","0.3165","0.3776","","","","","","1.036","","","","has coordinates,has disorder","224102","2020-10-21","18:00:00",""
"7049399","47.9185","0.0016","12.5342","0.0004","17.0021","0.0006","90","","90.799","0.003","90","","10210.8","0.6","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 Cl2 Co N3 -","- C59 H59 Cl2 Co N3 -","- C472 H472 Cl16 Co8 N24 -","8","1","","Guo, Liwei; Zada, Muhammad; Zhang, Wenjuan; Vignesh, Arumugam; Zhu, Dongzhi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Highly linear polyethylenes tailored with 2,6-bis[1-(p-dibenzo-cycloheptylarylimino)ethyl]pyridylcobalt dichlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5604","5613","10.1039/c9dt01109a","","","0.71073","MoKα","","0.1293","0.0947","","","0.2449","0.2667","","","","","","1.09","","","","has coordinates,has disorder","224102","2020-10-21","18:00:00",""
"7049400","14.2748","0.0008","15.6725","0.0008","21.2164","0.0011","105.246","0.002","98.704","0.002","94.464","0.002","4492.2","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H76 Cl5 Hg2 Li O4 P4 -","- C98 H76 Cl5 Hg2 Li O4 P4 -","- C196 H152 Cl10 Hg4 Li2 O8 P8 -","2","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.0669","0.0544","","","0.1162","0.1216","","","","","","1.078","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049401","8.9934","0.0004","9.5252","0.0004","14.9658","0.0006","102.2","0.001","98.392","0.001","113.284","0.001","1112.79","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cl3 O P Sn -","- C24 H18 Cl3 O P Sn -","- C48 H36 Cl6 O2 P2 Sn2 -","2","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.0286","0.0246","","","0.0557","0.0573","","","","","","1.062","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049402","8.8921","0.0003","10.475","0.0004","16.9858","0.0007","85.291","0.001","84.161","0.001","72.333","0.001","1497.51","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl3 O3 P Sn -","- C32 H34 Cl3 O3 P Sn -","- C64 H68 Cl6 O6 P2 Sn2 -","2","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.0323","0.0257","","","0.0523","0.0546","","","","","","1.068","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049403","10.8014","0.0004","10.3777","0.0004","18.5406","0.0008","90","","105.655","0.001","90","","2001.19","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl Hg O P -","- C24 H18 Cl Hg O P -","- C96 H72 Cl4 Hg4 O4 P4 -","4","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.0212","0.0198","","","0.0511","0.0516","","","","","","1.176","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049404","9.1561","0.0003","11.7354","0.0004","12.0175","0.0005","90.8","0.001","105.168","0.001","95.897","0.001","1238.58","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Bi Cl4 O P -","- C25 H20 Bi Cl4 O P -","- C50 H40 Bi2 Cl8 O2 P2 -","2","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.0296","0.0247","","","0.0555","0.0577","","","","","","1.126","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049405","8.6794","0.0003","12.6557","0.0005","19.5559","0.0008","90","","97.497","0.001","90","","2129.73","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 O P Sb -","- C24 H18 Cl2 O P Sb -","- C96 H72 Cl8 O4 P4 Sb4 -","4","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.025","0.0214","","","0.0596","0.061","","","","","","1.244","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049406","9.2077","0.0003","9.6481","0.0004","15.3566","0.0006","97.547","0.001","97.893","0.001","110.393","0.001","1242.8","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 O2 P Sb -","- C28 H26 Cl2 O2 P Sb -","- C56 H52 Cl4 O4 P2 Sb2 -","2","1","","Olaru, Marian; Krupke, Sandra; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Transmetallation of bis(6-diphenylphosphinoxy-acenapth-5-yl)mercury with tin tetrachloride, antimony trichloride and bismuth trichloride.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5585","5594","10.1039/c9dt00827f","","","0.71073","MoKα","","0.0266","0.0233","","","0.0571","0.0589","","","","","","1.064","","","","has coordinates","224094","2020-10-21","18:00:00",""
"7049407","28.7693","0.0011","10.068","0.0004","21.9942","0.0009","90","","128.381","0.001","90","","4993.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Co3 N6 O14 -","- C38 H28 Co3 N6 O14 -","- C152 H112 Co12 N24 O56 -","4","0.5","","Shao, Zhichao; Han, Xiao; Liu, Yeye; Xu, Wenjuan; Wu, Qiong; Xie, Qiong; Zhao, Yujie; Hou, Hongwei","Metal-dependent photocatalytic activity and magnetic behaviour of a series of 3D Co-Ni metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6191","6197","10.1039/c9dt00968j","","","0.71073","MoKα","","0.0426","0.032","","","0.091","0.0972","","","","","","0.992","","","","has coordinates","224419","2020-10-21","18:00:00",""
"7049408","6.8483","0.0002","14.6095","0.0005","23.8424","0.001","90","","97.371","0.002","90","","2365.73","0.15","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag2 Cl4 N2 O2 -","- C24 H16 Ag2 Cl4 N2 O2 -","- C96 H64 Ag8 Cl16 N8 O8 -","4","1","","Kim, Jong Hyun; Mertens, R. Tyler; Agarwal, Amal; Parkin, Sean; Berger, Gilles; Awuah, Samuel G.","Direct intramolecular carbon(sp<sup>2</sup>)-nitrogen(sp<sup>2</sup>) reductive elimination from gold(iii).","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6273","6282","10.1039/c8dt05155k","","","0.71073","MoKα","","0.0805","0.043","","","0.0661","0.0747","","","","","","1.079","","","","has coordinates","224404","2020-10-21","18:00:00",""
"7049409","11.3471","0.0003","13.4416","0.0005","21.6337","0.0008","90","","90","","90","","3299.64","0.19","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33.77 H33.53 Au Cl3.53 N3 O -","- C33.767 H33.534 Au Cl3.534 N3 O -","- C135.068 H134.136 Au4 Cl14.136 N12 O4 -","4","1","","Kim, Jong Hyun; Mertens, R. Tyler; Agarwal, Amal; Parkin, Sean; Berger, Gilles; Awuah, Samuel G.","Direct intramolecular carbon(sp<sup>2</sup>)-nitrogen(sp<sup>2</sup>) reductive elimination from gold(iii).","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6273","6282","10.1039/c8dt05155k","","","0.71073","MoKα","","0.0413","0.0379","","","0.0916","0.0928","","","","","","1.208","","","","has coordinates,has disorder","224404","2020-10-21","18:00:00",""
"7049410","9.1906","0.0006","10.0261","0.0007","12.9981","0.0009","112.003","0.001","90.18","0.001","110.346","0.001","1028.87","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 N4 P2 Pt2 S2 -","- C48 H36 N4 P2 Pt2 S2 -","- C48 H36 N4 P2 Pt2 S2 -","1","0.5","","Paziresh, Sareh; Babadi Aghakhanpour, Reza; Fuertes, Sara; Sicilia, Violeta; Niroomand Hosseini, Fatemeh; Nabavizadeh, S. Masoud","A double rollover cycloplatinated(ii) skeleton: a versatile platform for tuning emission by chelating and non-chelating ancillary ligand systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5713","5724","10.1039/c9dt00807a","","","0.71073","MoKα","","0.0269","0.0259","","","0.0624","0.0629","","","","","","1.105","","","","has coordinates","224112","2020-10-21","18:00:00",""
"7049411","12.471","0.0007","8.2668","0.0003","14.3476","0.0008","90","","111.524","0.006","90","","1376.02","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 N4 Pt2 S4 -","- C21 H28 Cl2 N4 Pt2 S4 -","- C42 H56 Cl4 N8 Pt4 S8 -","2","0.5","","Paziresh, Sareh; Babadi Aghakhanpour, Reza; Fuertes, Sara; Sicilia, Violeta; Niroomand Hosseini, Fatemeh; Nabavizadeh, S. Masoud","A double rollover cycloplatinated(ii) skeleton: a versatile platform for tuning emission by chelating and non-chelating ancillary ligand systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5713","5724","10.1039/c9dt00807a","","","0.71073","MoKα","","0.0632","0.042","","","0.0943","0.1049","","","","","","1.026","","","","has coordinates","224112","2020-10-21","18:00:00",""
"7049412","9.2323","0.0014","9.5583","0.0015","12.8452","0.0019","110.033","0.002","90.129","0.002","110.867","0.002","985.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 N8 P2 Pt2 -","- C46 H36 N8 P2 Pt2 -","- C46 H36 N8 P2 Pt2 -","1","0.5","","Paziresh, Sareh; Babadi Aghakhanpour, Reza; Fuertes, Sara; Sicilia, Violeta; Niroomand Hosseini, Fatemeh; Nabavizadeh, S. Masoud","A double rollover cycloplatinated(ii) skeleton: a versatile platform for tuning emission by chelating and non-chelating ancillary ligand systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5713","5724","10.1039/c9dt00807a","","","0.71073","MoKα","","0.0672","0.0594","","","0.1622","0.1669","","","","","","1.133","","","","has coordinates","224112","2020-10-21","18:00:00",""
"7049413","4.1239","0.0006","4.1239","0.0006","8.459","0.0017","90","","90","","90","","143.86","0.04","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Eu P Sn -","- Eu P Sn -","- Eu2 P2 Sn2 -","2","","","Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei","Enhanced Néel Temperature in EuSnP under Pressure","Dalton Transactions","2019","","","","","10.1039/C9DT00449A","","","0.4335","synchrotron","","0.0264","0.0264","","","0.0699","0.0699","","","","","","1.348","","","","has coordinates","214296","2020-10-21","18:00:00",""
"7049414","4.2229","0.0006","4.2229","0.0006","8.6314","0.0017","90","","90","","90","","153.92","0.04","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Eu P Sn -","- Eu P Sn -","- Eu2 P2 Sn2 -","2","","","Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei","Enhanced Néel Temperature in EuSnP under Pressure","Dalton Transactions","2019","","","","","10.1039/C9DT00449A","","","0.4335","synchrotron","","0.0544","0.0544","","","0.1666","0.1666","","","","","","1.315","","","","has coordinates","214297","2020-10-21","18:00:00",""
"7049415","32.3271","0.0018","28.2199","0.0014","19.686","0.0006","90","","90","","90","","17958.9","1.4","297.99","0.1","297.99","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C42 H30 In N3 O8 -","- C40 H22 In N2 O8 -","- C320 H176 In8 N16 O64 -","8","1","","Huang, Pan; Chen, Cheng; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","An indium-organic framework for the efficient storage of light hydrocarbons and selective removal of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5527","5533","10.1039/c9dt00902g","","","1.3405","GaKα","","0.0724","0.051","","","0.1463","0.1567","","","","","","1.055","","","","has coordinates","224114","2020-10-21","18:00:00",""
"7049416","11.0519","0.0006","14.6451","0.0008","17.8325","0.0009","66.652","0.001","76.531","0.001","81.124","0.001","2570.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74 N16 Ni2 O18 P2 -","- C70 H52 N12 Ni2 O10 P2 -","- C70 H52 N12 Ni2 O10 P2 -","1","0.5","","Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.","Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5450","5458","10.1039/c9dt00249a","","","0.71073","MoKα","","0.0799","0.0537","","","0.1408","0.1509","","","","","","0.944","","","","has coordinates","224187","2020-10-21","18:00:00",""
"7049417","11.2136","0.0006","11.2212","0.0006","14.7386","0.0008","92.544","0.001","90.337","0.001","92.125","0.001","1851.4","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H62 Cd3 N12 O18 P2 -","- C78 H54 Cd3 N12 O18 P2 -","- C78 H54 Cd3 N12 O18 P2 -","1","0.5","","Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.","Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5450","5458","10.1039/c9dt00249a","","","0.71073","MoKα","","0.029","0.0256","","","0.0614","0.0631","","","","","","1.052","","","","has coordinates","224187","2020-10-21","18:00:00",""
"7049418","10.889","0.005","10.961","0.005","15.897","0.005","83.872","0.005","87.251","0.005","74.609","0.005","1818.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H62 Cd2 N12 O14 P2 -","- C78 H46 Cd2 N12 O14 P2 -","- C78 H46 Cd2 N12 O14 P2 -","1","0.5","","Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.","Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5450","5458","10.1039/c9dt00249a","","","0.71069","MoKα","","0.0898","0.0608","","","0.1661","0.1886","","","","","","1.03","","","","has coordinates,has disorder","224187","2020-10-21","18:00:00",""
"7049419","10.088","0.005","15.743","0.005","18.126","0.005","111.637","0.005","100.107","0.005","94.589","0.005","2601.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Cd2 N12 O25 P2 -","- C86 H62 Cd2 N12 O10 P2 -","- C86 H62 Cd2 N12 O10 P2 -","1","0.5","","Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.","Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5450","5458","10.1039/c9dt00249a","","","0.71069","MoKα","","0.0668","0.0479","","","0.1292","0.1368","","","","","","0.997","","","","has coordinates","224187","2020-10-21","18:00:00",""
"7049420","16.2201","0.0008","16.5015","0.0008","19.5574","0.001","97.728","0.001","106.944","0.001","97.767","0.001","4877.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H78 Cd2 F12 N12 O20 P2 -","- C88 H58 Cd2 F12 N12 O10 P2 -","- C176 H116 Cd4 F24 N24 O20 P4 -","2","1","","Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.","Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5450","5458","10.1039/c9dt00249a","","","0.71073","MoKα","","0.0998","0.0559","","","0.1364","0.1509","","","","","","0.927","","","","has coordinates","224187","2020-10-21","18:00:00",""
"7049421","9.953","0.005","12.572","0.005","22.406","0.005","86.109","0.005","85.452","0.005","82.818","0.005","2768.1","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H47 N6 O15 P Zn2 -","- C55 H37 N6 O10 P Zn2 -","- C110 H74 N12 O20 P2 Zn4 -","2","1","","Sun, Yingying; Chen, Xiaojie; Wang, Fengyuan; Ma, Ruidan; Guo, Xianmin; Sun, Shaowen; Guo, Huadong; Alexandrov, Eugeny V.","Variation of topologies and entanglements in metal-organic frameworks with mixed tris[4-(1H-imidazol-1-yl)phenyl]phosphine oxide and dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5450","5458","10.1039/c9dt00249a","","","0.71069","MoKα","","0.0716","0.048","","","0.125","0.1336","","","","","","1.051","","","","has coordinates","224187","2020-10-21","18:00:00",""
"7049422","7.5778","0.0003","10.4101","0.0004","30.6151","0.0012","90.579","0.001","95.388","0.001","90.436","0.001","2404.21","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cl Ir N6 -","- C24 H34 Cl Ir N6 -","- C96 H136 Cl4 Ir4 N24 -","4","2","","Fernández-Alvarez, Francisco J; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.; Lalrempuia, Ralte","Synthesis and reactivity at the Ir-<sup>Me</sup>Tpm platform: from κ<sup>1</sup>-N coordination to κ<sup>3</sup>-N-based organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6455","6463","10.1039/c9dt00703b","","","0.71073","MoKα","","0.0276","0.024","","","0.055","0.0563","","","","","","1.065","","","","has coordinates","224183","2020-10-21","18:00:00",""
"7049423","11.4694","0.0005","11.6677","0.0005","13.9878","0.0006","92.385","0.001","103.837","0.001","111.571","0.001","1672.77","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H38 D6 F3 Ir N6 O3 S -","- C31 H38 D6 F3 Ir N6 O3 S -","- C62 H76 D12 F6 Ir2 N12 O6 S2 -","2","1","","Fernández-Alvarez, Francisco J; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.; Lalrempuia, Ralte","Synthesis and reactivity at the Ir-<sup>Me</sup>Tpm platform: from κ<sup>1</sup>-N coordination to κ<sup>3</sup>-N-based organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6455","6463","10.1039/c9dt00703b","","","0.71073","MoKα","","0.0215","0.0192","","","0.0447","0.0457","","","","","","1.044","","","","has coordinates,has disorder","224183","2020-10-21","18:00:00",""
"7049424","8.5533","0.0003","13.9441","0.0005","22.6818","0.0009","90","","96.332","0.001","90","","2688.71","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 F3 Ir N6 O3 S -","- C25 H34 F3 Ir N6 O3 S -","- C100 H136 F12 Ir4 N24 O12 S4 -","4","1","","Fernández-Alvarez, Francisco J; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.; Lalrempuia, Ralte","Synthesis and reactivity at the Ir-<sup>Me</sup>Tpm platform: from κ<sup>1</sup>-N coordination to κ<sup>3</sup>-N-based organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6455","6463","10.1039/c9dt00703b","","","0.71073","MoKα","","0.0223","0.0188","","","0.0441","0.0453","","","","","","1.05","","","","has coordinates","224183","2020-10-21","18:00:00",""
"7049425","8.2713","0.0003","9.7845","0.0004","19.0733","0.0007","75.649","0.001","85.088","0.001","79.868","0.001","1470.69","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 F3 Ir N6 O4 S -","- C26 H38 F3 Ir N6 O4 S -","- C52 H76 F6 Ir2 N12 O8 S2 -","2","1","","Fernández-Alvarez, Francisco J; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.; Lalrempuia, Ralte","Synthesis and reactivity at the Ir-<sup>Me</sup>Tpm platform: from κ<sup>1</sup>-N coordination to κ<sup>3</sup>-N-based organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6455","6463","10.1039/c9dt00703b","","","0.71073","MoKα","","0.0199","0.019","","","0.0468","0.0472","","","","","","1.079","","","","has coordinates","224183","2020-10-21","18:00:00",""
"7049426","16.9139","0.0017","20.364","0.002","12.255","0.002","90","","124.441","0.001","90","","3481.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H24 Co2 N6 O11 -","- C18 H10 Co2 N5 O8 -","- C72 H40 Co8 N20 O32 -","4","0.5","","Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming","Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7100","7104","10.1039/c9dt00115h","","","0.71073","MoKα","","0.0379","0.0289","","","0.0775","0.0808","","","","","","1.057","","","","has coordinates","224448","2020-10-21","18:00:00",""
"7049427","8.097","0.003","21.414","0.009","14.114","0.006","90","","105.123","0.005","90","","2362.5","1.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 Co2 N6 O9.5 -","- C20 H19 Co2 N6 O9.5 -","- C80 H76 Co8 N24 O38 -","4","2","","Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming","Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7100","7104","10.1039/c9dt00115h","","","0.71073","MoKα","","0.1611","0.1145","","","0.2784","0.3095","","","","","","1.132","","","","has coordinates","224448","2020-10-21","18:00:00",""
"7049428","8.1101","0.0013","21.35","0.003","14.109","0.002","90","","105.008","0.002","90","","2359.7","0.6","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H21 Co N6 O9.5 Zn -","- C20 H19 Co N6 O9.5 Zn -","- C80 H76 Co4 N24 O38 Zn4 -","4","2","","Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming","Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7100","7104","10.1039/c9dt00115h","","","0.71073","MoKα","","0.0496","0.0439","","","0.1225","0.1305","","","","","","1.072","","","","has coordinates","224448","2020-10-21","18:00:00",""
"7049429","17.414","0.002","19.927","0.002","12.8456","0.0016","90","","126.571","0.001","90","","3579.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H31 Co N6 O14.5 Zn -","- C18 H10 Co N5 O8 Zn -","- C72 H40 Co4 N20 O32 Zn4 -","4","0.5","","Zhu, Jiaxing; Chen, Junye; Qiu, Tianze; Deng, Mingli; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Zhou, Yaming","Cobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7100","7104","10.1039/c9dt00115h","","","0.71073","MoKα","","0.0442","0.0403","","","0.1092","0.1109","","","","","","1.017","","","","has coordinates","224448","2020-10-21","18:00:00",""
"7049430","32.634","0.004","30.916","0.003","39.284","0.004","90","","109.93","0.004","90","","37260","7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C139 H143 Cu6 N12 O40.5 -","- C118 H72 Cu6 N5 O30 -","- C944 H576 Cu48 N40 O240 -","8","1","","Li, Jiantang; Gu, Jiaming; Zhang, Lirong; Liu, Yunling","Supramolecular interactions induced distortion of BTB ligands: breaking convention to reproduce an unusual (3,4,4)-connected MOF topology.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5511","5514","10.1039/c9dt00233b","","","0.71073","MoKα","","0.1009","0.0662","","","0.1999","0.2217","","","","","","1.087","","","","has coordinates,has disorder","224115","2020-10-21","18:00:00",""
"7049431","13.3294","0.0002","14.2532","0.0002","15.219","0.0003","116.327","0.002","110.712","0.002","95.005","0.001","2318.99","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H37 Cl4 F6 N6 P Pt2 -","- C49 H37 Cl4 F6 N6 P Pt2 -","- C98 H74 Cl8 F12 N12 P2 Pt4 -","2","1","","Cinninger, Leander M.; Bastatas, Lyndon D.; Shen, Yulong; Holliday, Bradley J.; Slinker, Jason D.","Luminescent properties of a 3,5-diphenylpyrazole bridged Pt(ii) dimer.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9684","9691","10.1039/c9dt00795d","","","1.54184","CuKα","","0.0204","0.02","","","0.0507","0.051","","","","","","1.127","","","","has coordinates,has disorder","224062","2020-10-21","18:00:00",""
"7049432","13.3738","0.0003","14.2394","0.0002","15.3804","0.0004","116.222","0.002","110.687","0.002","94.601","0.001","2358.68","0.11","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.67 H24.67 Cl2.67 F4 N4 P0.67 Pt1.33 -","- C32.6667 H24.6667 Cl2.66667 F4 N4 P0.666667 Pt1.33333 -","- C98 H74 Cl8 F12 N12 P2 Pt4 -","3","1.5","","Cinninger, Leander M.; Bastatas, Lyndon D.; Shen, Yulong; Holliday, Bradley J.; Slinker, Jason D.","Luminescent properties of a 3,5-diphenylpyrazole bridged Pt(ii) dimer.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9684","9691","10.1039/c9dt00795d","","","1.54184","CuKα","","0.0247","0.0239","","","0.0597","0.0603","","","","","","1.07","","","","has coordinates,has disorder","224062","2020-10-21","18:00:00",""
"7049433","13.3658","0.0003","14.2507","0.0003","15.2735","0.0004","116.225","0.002","110.754","0.002","94.835","0.002","2337.6","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H37 Cl4 F6 N6 P Pt2 -","- C49 H37 Cl4 F6 N6 P Pt2 -","- C98 H74 Cl8 F12 N12 P2 Pt4 -","2","1","","Cinninger, Leander M.; Bastatas, Lyndon D.; Shen, Yulong; Holliday, Bradley J.; Slinker, Jason D.","Luminescent properties of a 3,5-diphenylpyrazole bridged Pt(ii) dimer.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9684","9691","10.1039/c9dt00795d","","","1.54184","CuKα","","0.0205","0.0199","","","0.0481","0.0485","","","","","","1.092","","","","has coordinates,has disorder","224062","2020-10-21","18:00:00",""
"7049434","13.4179","0.0002","14.2402","0.0002","15.469","0.0003","116.174","0.002","110.742","0.002","94.419","0.001","2382.96","0.1","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H23.33 Cl1.33 F4 N4 P0.67 Pt1.33 -","- C32 H23.3333 Cl1.33333 F4 N4 P0.666667 Pt1.33333 -","- C96 H70 Cl4 F12 N12 P2 Pt4 -","3","1.5","","Cinninger, Leander M.; Bastatas, Lyndon D.; Shen, Yulong; Holliday, Bradley J.; Slinker, Jason D.","Luminescent properties of a 3,5-diphenylpyrazole bridged Pt(ii) dimer.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9684","9691","10.1039/c9dt00795d","","","1.54184","CuKα","","0.0227","0.0212","","","0.0536","0.0548","","","","","","1.035","","","","has coordinates","224062","2020-10-21","18:00:00",""
"7049435","10.4689","0.0011","12.8625","0.0013","23.576","0.002","75.002","0.003","83.542","0.003","80.041","0.003","3012.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H95 N3 O6 U -","- C68 H95 N3 O6 U -","- C136 H190 N6 O12 U2 -","2","1","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0523","0.039","","","0.0774","0.0811","","","","","","1.097","","","","has coordinates,has disorder","223754","2020-10-21","18:00:00",""
"7049436","14.92","0.002","14.92","0.002","19.254","0.003","90","","90","","120","","3711.8","0.9","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 Se U -","- C78 H114 K N5 O9 Se U -","- C156 H228 K2 N10 O18 Se2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0741","0.0349","","","0.0632","0.0735","","","","","","0.975","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049437","14.825","0.002","14.825","0.002","19.561","0.003","90","","90","","120","","3723.2","0.9","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C78 H114 K N5 O10 U -","- C78 H114 K N5 O10 U -","- C156 H228 K2 N10 O20 U2 -","2","0.333333","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0394","0.0249","","","0.0589","0.0649","","","","","","1.098","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049438","14.886","0.004","14.886","0.004","19.469","0.006","90","","90","","120","","3736.2","1.8","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 Te U -","- C78 H114 K N5 O9 Te U -","- C156 H228 K2 N10 O18 Te2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.1463","0.0599","","","0.1247","0.1568","","","","","","1","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049439","10.345","0.0004","25.1895","0.0011","23.6311","0.0009","90","","90.534","0.002","90","","6157.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H85 Cl6 N3 O3 Te U -","- C63 H85 Cl6 N3 O3 Te U -","- C252 H340 Cl24 N12 O12 Te4 U4 -","4","1","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.092","0.0597","","","0.1258","0.1386","","","","","","1.074","","","","has coordinates,has disorder","223754","2020-10-21","18:00:00",""
"7049440","20.3282","0.0006","20.3282","0.0006","18.6007","0.0006","90","","90","","120","","6656.7","0.4","100","2","100.15","","","","","","","","","6","P 63","P 6c","173","","","","- C73 H105 N3 O6.25 Se U -","- C69 H96.9999 N3 O5.25 Se U -","- C276 H388 N12 O21 Se4 U4 -","4","0.666667","","Rosenzweig, Michael W.; Hümmer, Julian; Scheurer, Andreas; Lamsfus, Carlos Alvarez; Heinemann, Frank W.; Maron, Laurent; Mazzanti, Marinella; Meyer, Karsten","A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10853","10864","10.1039/c9dt00530g","","","0.71073","MoKα","","0.0461","0.033","","","0.084","0.0898","","","","","","1.061","","","","has coordinates","223754","2020-10-21","18:00:00",""
"7049441","11.2709","0.0017","10.9305","0.0016","13.289","0.002","90","","109.961","0.002","90","","1538.8","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H29 N4 O3 P Zn -","- C36 H29 N4 O3 P Zn -","- C72 H58 N8 O6 P2 Zn2 -","2","1","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.0654","0.0493","","","0.1043","0.111","","","","","","1.006","","","","has coordinates,has disorder","224192","2020-10-21","18:00:00",""
"7049442","21.1528","0.0007","21.1528","0.0007","15.1147","0.0006","90","","90","","90","","6762.9","0.4","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C152 H132 N16 O12 P4 Zn4 -","- C152 H132 N16 O12 P4 Zn4 -","- C304 H264 N32 O24 P8 Zn8 -","2","0.25","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.0631","0.0391","","","0.0608","0.0632","","","","","","0.972","","","","has coordinates","224192","2020-10-21","18:00:00",""
"7049443","11.4139","0.0014","21.797","0.003","26.842","0.003","90","","90","","90","","6678","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H35 N4 O3 P Zn -","- C40 H35 N4 O3 P Zn -","- C320 H280 N32 O24 P8 Zn8 -","8","1","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.1366","0.0736","","","0.1661","0.1946","","","","","","1.147","","","","has coordinates,has disorder","224192","2020-10-21","18:00:00",""
"7049444","33.22","0.005","10.1145","0.0015","23.218","0.003","90","","117.342","0.002","90","","6929.8","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 N5 O4 P Zn -","- C38 H27 N6 O3 P Zn -","- C304 H216 N48 O24 P8 Zn8 -","8","1","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.1525","0.0616","","","0.117","0.1514","","","","","","0.957","","","","has coordinates,has disorder","224192","2020-10-21","18:00:00",""
"7049445","20.973","0.004","20.973","0.004","15.568","0.004","90","","90","","90","","6848","3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C152 H140 N16 O20 P4 Zn4 -","- C152 H140 N16 O20 P4 Zn4 -","- C304 H280 N32 O40 P8 Zn8 -","2","0.25","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.1645","0.0872","","","0.202","0.2377","","","","","","1.088","","","","has coordinates","224192","2020-10-21","18:00:00",""
"7049446","10.4972","0.0004","13.6574","0.0005","16.9248","0.0006","72.641","0.001","81.114","0.001","82.468","0.001","2278.79","0.15","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Br Cu4 F24 N9 O4 -","- C32 H24 Br Cu4 F24 N9 O4 -","- C64 H48 Br2 Cu8 F48 N18 O8 -","2","1","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0367","0.0223","","","0.0515","0.0548","","","","","","1.019","","","","has coordinates","224175","2020-10-21","18:00:00",""
"7049447","13.702","0.004","18.154","0.005","8.944","0.002","90","","101.012","0.004","90","","2183.8","1","100","2","100.01","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 Cu2 F18 N4 O2 -","- C14 Cu2 F18 N4 O2 -","- C56 Cu8 F72 N16 O8 -","4","0.5","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0337","0.0266","","","0.0643","0.0676","","","","","","1.035","","","","has coordinates","224175","2020-10-21","18:00:00",""
"7049448","11.4684","0.0014","11.5","0.0014","12.1867","0.0015","68.669","0.003","87.811","0.004","62.226","0.003","1307.8","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H2 Cu2 F12 N4 O2 -","- C12 H2 Cu2 F12 N4 O2 -","- C36 H6 Cu6 F36 N12 O6 -","3","1.5","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0381","0.0366","","","0.0869","0.0877","","","","","","1.029","","","","has coordinates","224175","2020-10-21","18:00:00",""
"7049449","17.611","0.002","16.574","0.0019","18.361","0.002","90","","113.023","0.001","90","","4932.4","1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl5 Cu4 F24 N9 O4 -","- C32 H20 Cl5 Cu4 F24 N9 O4 -","- C128 H80 Cl20 Cu16 F96 N36 O16 -","4","1","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0682","0.0508","","","0.1142","0.1295","","","","","","1.038","","","","has coordinates,has disorder","224175","2020-10-21","18:00:00",""
"7049450","12.1154","0.0017","9.6123","0.0013","19.084","0.003","90","","100.863","0.003","90","","2182.6","0.5","100","2","100.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H3 Cl2 Cu2 F12 N5 O2 -","- C14 H3 Cl2 Cu2 F12 N5 O2 -","- C56 H12 Cl8 Cu8 F48 N20 O8 -","4","1","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0297","0.0259","","","0.0632","0.0648","","","","","","1.07","","","","has coordinates","224175","2020-10-21","18:00:00",""
"7049451","37.7152","0.0018","10.5333","0.0005","18.8804","0.0009","90","","115.266","0.002","90","","6783","0.6","100","2","100.19","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cu2 F18 N7 O2 -","- C25 H23 Cu2 F18 N7 O2 -","- C200 H184 Cu16 F144 N56 O16 -","8","1","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0385","0.0318","","","0.0719","0.0754","","","","","","1.031","","","","has coordinates,has disorder","224175","2020-10-21","18:00:00",""
"7049452","51.263","0.005","16.7952","0.0015","17.4829","0.0015","90","","94.807","0.003","90","","14999","2","100","2","99.99","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Br Cl4 Cu4 F24 N9 O4 -","- C32 H20 Br Cl4 Cu4 F24 N9 O4 -","- C384 H240 Br12 Cl48 Cu48 F288 N108 O48 -","12","1.5","","Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika","Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6358","6371","10.1039/c9dt00486f","","","0.71073","MoKα","","0.0572","0.0355","","","0.0778","0.0864","","","","","","1.015","","","","has coordinates,has disorder","224175","2020-10-21","18:00:00",""
"7049453","20.537","0.002","10.2462","0.0006","11.5862","0.001","90","","90","","90","","2438","0.3","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25.5 H25 Au Cl N2 -","- C25.5 H26 Au Cl N2 -","- C102 H104 Au4 Cl4 N8 -","4","0.5","","Seki, Tomohiro; Kashiyama, Kentaro; Ito, Hajime","Luminescent mechanochromism of gold N-heterocyclic carbene complexes with hypso- and bathochromic spectral shifts.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7105","7109","10.1039/c9dt00566h","","x-ray","0.71073","MoKα","","0.104","0.0848","","","0.2233","0.2402","","","","","","1.115","","","","has coordinates,has disorder","224464","2020-10-21","18:00:00",""
"7049454","9.4001","0.0001","9.4001","0.0001","6.8744","0.0001","90","","90","","120","","526.054","0.011","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","hydroxyapatite, Tb-doped","","- Ca4.755 O13 P3 Tb0.245 -","- Ca4.7549 O13 P3 Tb0.2448 -","- Ca9.5098 O26 P6 Tb0.4896 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Magdysyuk, Oxana V.; Utochnikova, Valentina V.; Gorbachev, Evgeny A.; Kremer, Reinhard K.; Schnelle, Walter; Felser, Claudia; Jansen, Martin","TbO<sup>+</sup> in a calcium apatite matrix featuring a triple trigger-type relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5299","5307","10.1039/c9dt01120j","powder diffraction","x-ray","0.23369","synchrotron","","0.0423","0.0338","","0.0365","0.0354","","","","0.37","","","","","","","has coordinates","224189","2020-10-21","18:00:00",""
"7049455","15.3091","0.0005","7.9928","0.0003","16.1335","0.0005","90","","102.48","0.001","90","","1927.49","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br2 Cl N O Ru -","- C19 H17 Br2 Cl N O Ru -","- C76 H68 Br8 Cl4 N4 O4 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71076","MoKα","","0.0418","0.0329","","","0.0785","0.0828","","","","","","1.122","","","","has coordinates,has disorder","224196","2020-10-21","18:00:00",""
"7049456","15.2642","0.0005","8.0344","0.0003","15.8749","0.0005","90","","100.011","0.001","90","","1917.23","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 I N O Ru -","- C19 H18 Cl2 I N O Ru -","- C76 H72 Cl8 I4 N4 O4 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71076","MoKα","","0.0402","0.0316","","","0.078","0.0822","","","","","","1.049","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049457","8.174","0.0008","16.6484","0.0019","13.7808","0.0017","90","","93.707","0.012","90","","1871.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I N O Ru -","- C20 H22 I N O Ru -","- C80 H88 I4 N4 O4 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","x-ray","0.71073","MoKα","","0.1942","0.0943","","","0.2046","0.2623","","","","","","0.931","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049458","20.5287","0.0008","26.6266","0.001","7.9491","0.0003","90","","90","","90","","4345.1","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C19 H18 Cl I2 N O Ru -","- C19 H18 Cl I2 N O Ru -","- C152 H144 Cl8 I16 N8 O8 Ru8 -","8","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.075","0.0443","","","0.1159","0.1336","","","","","","1.094","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049459","47.198","0.003","15.9275","0.001","18.8189","0.0011","90","","90","","90","","14147","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H42 Cl6 Ru3 -","- C30 H42 Cl6 Ru3 -","- C480 H672 Cl96 Ru48 -","16","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.0889","0.0654","","","0.167","0.193","","","","","","1.051","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049460","11.1403","0.0006","14.1963","0.0009","14.3901","0.0008","86.31","0.005","71.536","0.005","84.761","0.005","2148.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Br2 I N O Ru -","- C20 H20 Br2 I N O Ru -","- C80 H80 Br8 I4 N4 O4 Ru4 -","4","2","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","x-ray","0.71073","MoKα","","0.0528","0.0343","","","0.0696","0.0779","","","","","","1.052","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049461","10.901","0.0005","14.1378","0.0005","14.1674","0.0008","87.431","0.004","73.597","0.005","86.195","0.003","2089.16","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Cl2 I N O Ru -","- C20 H20 Cl2 I N O Ru -","- C80 H80 Cl8 I4 N4 O4 Ru4 -","4","2","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","x-ray","0.71073","MoKα","","0.0759","0.0423","","","0.0669","0.08","","","","","","1.005","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049462","19.5223","0.0011","8.1342","0.0005","25.662","0.0014","90","","90","","90","","4075.1","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl I2 N O Ru -","- C19 H17 Cl I2 N O Ru -","- C152 H136 Cl8 I16 N8 O8 Ru8 -","8","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.146","0.0597","","","0.0979","0.1194","","","","","","1.067","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049463","14.7664","0.0006","8.2019","0.0003","16.9558","0.0007","90","","102.769","0.004","90","","2002.77","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 Cl N O Ru -","- C20 H20 Br2 Cl N O Ru -","- C80 H80 Br8 Cl4 N4 O4 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","x-ray","0.71073","MoKα","","0.0573","0.0441","","","0.0974","0.108","","","","","","1.073","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049464","21.0592","0.0014","26.7409","0.0018","7.9714","0.0006","90","","90","","90","","4489","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H18 I3 N O Ru -","- C19 H18 I3 N O Ru -","- C152 H144 I24 N8 O8 Ru8 -","8","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.0627","0.0383","","","0.074","0.0871","","","","","","1.087","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049465","9.3758","0.0003","14.4693","0.0004","13.698","0.0004","90","","100.303","0.001","90","","1828.32","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I N O2 Ru -","- C19 H20 I N O2 Ru -","- C76 H80 I4 N4 O8 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71076","MoKα","","0.0371","0.0256","","","0.0512","0.0543","","","","","","1.044","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049466","16.2187","0.0006","5.9701","0.0002","22.2623","0.0012","90","","121.786","0.003","90","","1832.3","0.15","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C19 H17 Cl2 N O3 Ru -","- C19 H17 Cl2 N O3 Ru -","- C76 H68 Cl8 N4 O12 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","x-ray","0.71073","MoKα","","0.0847","0.0578","","","0.1244","0.1383","","","","","","1.098","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049467","14.5834","0.0003","8.19777","0.00016","16.7486","0.0004","90","","102.21","0.002","90","","1957.02","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl3 N O Ru -","- C20 H20 Cl3 N O Ru -","- C80 H80 Cl12 N4 O4 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","x-ray","0.71073","MoKα","","0.0339","0.027","","","0.0607","0.0649","","","","","","1.065","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049468","10.6379","0.0005","14.7384","0.0006","13.1395","0.0005","90","","101.965","0.001","90","","2015.33","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br2 I N O Ru -","- C19 H18 Br2 I N O Ru -","- C76 H72 Br8 I4 N4 O4 Ru4 -","4","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.045","0.0288","","","0.0601","0.0654","","","","","","1.057","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049469","7.9154","0.0017","10.025","0.002","13.447","0.003","88.038","0.009","89.073","0.009","70.501","0.007","1005.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Cu N2 O8 -","- C21 H20 Cu N2 O8 -","- C42 H40 Cu2 N4 O16 -","2","1","","Adalikwu, Stephen Adie; Mothika, Venkata Suresh; Hazra, Arpan; Maji, Tapas Kumar","Polar functional groups anchored to a 2D MOF template for the stabilization of Pd(0) nps for the catalytic C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7117","7121","10.1039/c8dt04766a","","","0.71073","MoKα","","0.1859","0.0882","","","0.2229","0.2861","","","","","","0.994","","","","has coordinates","224463","2020-10-21","18:00:00",""
"7049470","7.8586","0.0011","11.9567","0.0013","16.759","0.003","90","","90","","90","","1574.7","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Mn N3 O2 -","- C18 H18 Mn N3 O2 -","- C72 H72 Mn4 N12 O8 -","4","1","","Kusumoto, Sotaro; Koga, Atsushi; Kobayashi, Fumiya; Ohtani, Ryo; Kim, Yang; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Weak ferromagnetism derived from spin canting in an amido-bridged homochiral Mn(iii) 1-D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8617","8622","10.1039/c9dt00593e","","x-ray","0.71073","MoKα","","0.0901","0.0579","","","0.1077","0.1198","","","","","","0.997","","","","has coordinates","223789","2020-10-21","18:00:00",""
"7049471","7.8555","0.0009","11.9365","0.0012","16.7493","0.0014","90","","90","","90","","1570.5","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Mn N3 O2 -","- C18 H18 Mn N3 O2 -","- C72 H72 Mn4 N12 O8 -","4","1","","Kusumoto, Sotaro; Koga, Atsushi; Kobayashi, Fumiya; Ohtani, Ryo; Kim, Yang; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Weak ferromagnetism derived from spin canting in an amido-bridged homochiral Mn(iii) 1-D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8617","8622","10.1039/c9dt00593e","","x-ray","0.71073","MoKα","","0.0319","0.0278","","","0.0611","0.0623","","","","","","1.06","","","","has coordinates","223789","2020-10-21","18:00:00",""
"7049472","12.2379","0.001","15.8571","0.0013","16.246","0.0006","99.671","0.007","111.819","0.008","104.575","0.006","2710","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 Mg N4 O2 -","- C36 H66 Mg N4 O2 -","- C108 H198 Mg3 N12 O6 -","3","1.5","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.0985","0.0598","","","0.1137","0.1356","","","","","","1.126","","","","has coordinates","224193","2020-10-21","18:00:00",""
"7049473","28.361","0.002","8.597","0.0009","26.456","0.003","90","","99.168","0.007","90","","6368.1","1.1","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 I2 Mg2 N2 O2 -","- C25 H40 I2 Mg2 N2 O2 -","- C200 H320 I16 Mg16 N16 O16 -","8","2","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.086","0.0596","","","0.134","0.1558","","","","","","1.141","","","","has coordinates","224193","2020-10-21","18:00:00",""
"7049474","13.9819","0.0009","13.663","0.0007","14.262","0.0009","90","","90","","90","","2724.5","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H38 I2 Mg2 O4 Si2 -","- C14 H38 I2 Mg2 O4 Si2 -","- C56 H152 I8 Mg8 O16 Si8 -","4","0.5","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.0665","0.0587","","","0.1412","0.1466","","","","","","1.128","","","","has coordinates,has disorder","224193","2020-10-21","18:00:00",""
"7049475","15.23","0.0014","16.8731","0.0008","22.925","0.0014","90","","129.661","0.007","90","","4535.3","0.7","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 Cl2 Mg2 N4 O3 -","- C47 H65 Cl2 Mg2 N4 O3 -","- C188 H260 Cl8 Mg8 N16 O12 -","4","1","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.1109","0.0632","","","0.1189","0.1446","","","","","","1.132","","","","has coordinates","224193","2020-10-21","18:00:00",""
"7049476","10.5","0.0006","12.296","0.001","16.767","0.0009","84.125","0.006","80.152","0.004","75.609","0.006","2061.9","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H78 Mg N4 O2 -","- C42 H78 Mg N4 O2 -","- C84 H156 Mg2 N8 O4 -","2","1","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.1137","0.0735","","","0.1576","0.1873","","","","","","1.092","","","","has coordinates","224193","2020-10-21","18:00:00",""
"7049477","15.264","0.0011","16.497","0.0015","16.9821","0.0019","90","","90","","90","","4276.3","0.7","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H80 Mg2 N4 -","- C42 H80 Mg2 N4 -","- C168 H320 Mg8 N16 -","4","1","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.0982","0.067","","","0.1534","0.1814","","","","","","1.162","","","","has coordinates","224193","2020-10-21","18:00:00",""
"7049478","13.2144","0.0015","22.3311","0.0011","23.9725","0.0012","90","","90","","90","","7074.1","0.9","173","2","173","2","","","","","","","","6","P c a n","-P2n2c","60","","","","- C19 H14 Cl0.31 Cu1.31 N2 O5 -","- C19 H14 Cl0.309 Cu1.309 N2 O5 -","- C152 H112 Cl2.472 Cu10.472 N16 O40 -","8","1","","Yao, Qingxia; Lu, Xiufang; Liu, Kaili; Ma, Chao; Su, Jie; Lin, Cong; Li, DaCheng; Dou, Jianmin; Sun, Junliang; Duan, Wen-zeng","An NHC-CuCl functionalized metal-organic framework for catalyzing β-boration of α,β-unsaturated carbonyl compounds","Dalton Transactions","2019","","","","","10.1039/C9DT00645A","","","0.71073","MoKα","","0.0882","0.0587","","","0.1754","0.191","","","","","","0.986","","","","has coordinates","214361","2020-10-21","18:00:00",""
"7049479","6.1391","0.0005","12.3196","0.0009","14.842","0.0009","90","","97.954","0.006","90","","1111.72","0.14","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C44 H40 N8 O8 S4 -","4","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0734","0.0385","","","0.0866","0.0974","","","","","","0.961","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049480","8.1846","0.0004","9.1335","0.0006","10.3479","0.0006","85.194","0.004","79.853","0.004","70.598","0.004","717.94","0.07","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 Ag Cl N2 O6 S -","- C11 H10 Ag Cl N2 O6 S -","- C22 H20 Ag2 Cl2 N4 O12 S2 -","2","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0534","0.0346","","","0.0691","0.078","","","","","","1.059","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049481","7.6414","0.0005","8.3115","0.0006","12.1704","0.0009","92.816","0.005","97.234","0.005","100.802","0.005","751.12","0.09","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 Cl2 Cu N2 O3.5 S -","- C11 H10 Cl2 Cu N2 O3.5 S -","- C22 H20 Cl4 Cu2 N4 O7 S2 -","2","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0687","0.0413","","","0.0898","0.1019","","","","","","0.957","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049482","13.5906","0.0005","15.3623","0.0006","16.9588","0.0006","90","","90","","90","","3540.7","0.2","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Ag F5 N2 O4 S -","- C14 H10 Ag F5 N2 O4 S -","- C112 H80 Ag8 F40 N16 O32 S8 -","8","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0347","0.0279","","","0.0678","0.0721","","","","","","1.036","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049483","7.7548","0.0005","13.6358","0.001","12.7451","0.0009","90","","100.228","0.004","90","","1326.29","0.16","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl2 Cu N2 O2 S -","- C11 H10 Cl2 Cu N2 O2 S -","- C44 H40 Cl8 Cu4 N8 O8 S4 -","4","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0687","0.0369","","","0.0573","0.0661","","","","","","0.929","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049484","9.2069","0.0006","10.3554","0.0006","16.4755","0.0011","90","","101.116","0.004","90","","1541.32","0.17","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F3 N2 O4 S -","- C13 H10 Ag F3 N2 O4 S -","- C52 H40 Ag4 F12 N8 O16 S4 -","4","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0802","0.0423","","","0.0992","0.1187","","","","","","0.951","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049485","5.8956","0.0012","9.1733","0.0018","10.02","0.002","102.52","0.03","90.96","0.03","99.79","0.03","520.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cd N8 S4 -","- C16 H12 Cd N8 S4 -","- C16 H12 Cd N8 S4 -","1","0.5","","Wang, Rong-Yan; Yu, Jie-Hui; Xu, Ji-Qing","Bisimidazole-based phosphorescent thiocyanatocadmates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5674","5682","10.1039/c9dt00852g","","","0.71073","MoKα","","0.024","0.0234","","","0.0768","0.0772","","","","","","1.043","","","","has coordinates","224118","2020-10-21","18:00:00",""
"7049486","8.6561","0.0006","9.8165","0.0007","10.2018","0.0007","65.315","0.002","64.948","0.002","88.522","0.002","701.44","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd2 N10 S6 -","- C18 H20 Cd2 N10 S6 -","- C18 H20 Cd2 N10 S6 -","1","0.5","","Wang, Rong-Yan; Yu, Jie-Hui; Xu, Ji-Qing","Bisimidazole-based phosphorescent thiocyanatocadmates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5674","5682","10.1039/c9dt00852g","","","0.71073","MoKα","","0.0162","0.0158","","","0.0412","0.0415","","","","","","1.121","","","","has coordinates","224118","2020-10-21","18:00:00",""
"7049487","10.16","0.002","20.971","0.004","10.569","0.002","90","","93.36","0.03","90","","2248","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cd N8 S4 -","- C15 H18 Cd N8 S4 -","- C60 H72 Cd4 N32 S16 -","4","1","","Wang, Rong-Yan; Yu, Jie-Hui; Xu, Ji-Qing","Bisimidazole-based phosphorescent thiocyanatocadmates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5674","5682","10.1039/c9dt00852g","","","0.71073","MoKα","","0.0434","0.0368","","","0.1268","0.1294","","","","","","1.117","","","","has coordinates","224118","2020-10-21","18:00:00",""
"7049488","10.3342","0.0006","8.1209","0.0005","14.7616","0.0009","90","","102.064","0.006","90","","1211.48","0.13","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H26 N4 O60 V20 Zn5 -","- H26 N4 O60 V20 Zn5 -","- H26 N4 O60 V20 Zn5 -","1","0.25","","Yuan, Youyou; Wang, Xiaoge; Chen, Pohua; Sun, Junliang","Synthesis, characterization and structure of (NH<sub>4</sub>)<sub>4</sub>[Zn<sub>5</sub>VVO<sub>56</sub>H<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>] with a novel V<sub>5</sub>O<sub>14</sub> layer.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4906","4911","10.1039/c9dt00049f","","","0.71073","MoKα","","0.0806","0.0468","","","0.1109","0.1184","","","","","","0.973","","","","has coordinates","224393","2020-10-21","18:00:00",""
"7049489","17.157","0.003","22.569","0.011","25.638","0.005","90","","91.249","0.004","90","","9925","5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Gross100 (Sudhakar)","","","- C52 H16 Cl2 Co F27 N6 -","- C52 H16 Cl2 Co F27 N6 -","- C416 H128 Cl16 Co8 F216 N48 -","8","1","","Sudhakar, Kolanu; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Trifluoromethylation for affecting the structural, electronic and redox properties of cobalt corroles.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4798","4810","10.1039/c9dt00675c","","","0.71073","MoKα","","0.0994","0.0858","","","0.1902","0.1968","","","","","","1.143","","","","has coordinates","224378","2020-10-21","18:00:00",""
"7049490","14.295","0.004","15.801","0.0019","26.668","0.003","90","","122.051","0.006","90","","5105.5","1.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gross107 (Sudhakar)","","","- C55 H30 Co F21 N6 -","- C55 H30 Co F21 N6 -","- C220 H120 Co4 F84 N24 -","4","1","","Sudhakar, Kolanu; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Trifluoromethylation for affecting the structural, electronic and redox properties of cobalt corroles.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4798","4810","10.1039/c9dt00675c","","","0.71073","MoKα","","0.1165","0.0765","","","0.1922","0.211","","","","","","1.059","","","","has coordinates","224378","2020-10-21","18:00:00",""
"7049491","32.973","0.0005","17.089","0.0004","23.241","0.0005","90","","125.675","0.0013","90","","10638.2","0.4","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Gross102 (Sudhakar)","","","- C106 H40 Co2 F48 N12 -","- C106 H40 Co2 F48 N12 -","- C424 H160 Co8 F192 N48 -","4","1","","Sudhakar, Kolanu; Mahammed, Atif; Fridman, Natalia; Gross, Zeev","Trifluoromethylation for affecting the structural, electronic and redox properties of cobalt corroles.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4798","4810","10.1039/c9dt00675c","","","0.71073","MoKα","","0.1047","0.0984","","","0.2111","0.2146","","","","","","1.26","","","","has coordinates,has disorder","224378","2020-10-21","18:00:00",""
"7049492","7.2004","0.0011","9.8166","0.0016","13.857","0.002","86.856","0.005","79.281","0.005","74.582","0.005","927.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 B Si -","- C22 H23 B Si -","- C44 H46 B2 Si2 -","2","1","","Bartholome, Tyler A.; Bluer, Kristen R.; Martin, Caleb D.","Successive carbene insertion into 9-phenyl-9-borafluorene.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6319","6322","10.1039/c9dt01032g","","","0.71073","MoKα","","0.0906","0.0487","","","0.0934","0.1068","","","","","","1.029","","","","has coordinates","224185","2020-10-21","18:00:00",""
"7049493","17.718","0.004","10.3253","0.0017","28.13","0.007","90","","103.693","0.01","90","","4999.9","1.9","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H33 B Si2 -","- C26 H33 B Si2 -","- C208 H264 B8 Si16 -","8","1","","Bartholome, Tyler A.; Bluer, Kristen R.; Martin, Caleb D.","Successive carbene insertion into 9-phenyl-9-borafluorene.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6319","6322","10.1039/c9dt01032g","","","0.71073","MoKα","","0.0551","0.0406","","","0.0984","0.1066","","","","","","1.056","","","","has coordinates","224185","2020-10-21","18:00:00",""
"7049494","12.4221","0.0006","12.106","0.0007","27.1705","0.0015","90","","102.315","0.002","90","","3991.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 F8 N2 Ni O2 P2 -","- C38 H58 F8 N2 Ni O2 P2 -","- C152 H232 F32 N8 Ni4 O8 P8 -","4","1","","Torres, Òscar; Pfister, Nils; Braun, Thomas; Wittwer, Philipp","C-F activation of perfluorophenazine at nickel: selectivity and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6153","6161","10.1039/c9dt00780f","","","0.71073","MoKα","","0.0816","0.0563","","","0.1371","0.1506","","","","","","1.095","","","","has coordinates","224402","2020-10-21","18:00:00",""
"7049495","11.9941","0.0006","13.6197","0.0007","17.6604","0.001","72.302","0.002","72.776","0.002","66.228","0.002","2464.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H74 F8 N2 Ni O P2 -","- C52 H74 F8 N2 Ni O P2 -","- C104 H148 F16 N4 Ni2 O2 P4 -","2","1","","Torres, Òscar; Pfister, Nils; Braun, Thomas; Wittwer, Philipp","C-F activation of perfluorophenazine at nickel: selectivity and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6153","6161","10.1039/c9dt00780f","","","0.71073","MoKα","","0.0718","0.0555","","","0.1452","0.1571","","","","","","1.034","","","","has coordinates,has disorder","224402","2020-10-21","18:00:00",""
"7049496","15.97","0.006","13.69","0.008","14.857","0.009","90","","90","","90","","3248","3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H27 Br1.09 Cl1.91 Se3 -","- C30 H27 Br1.094 Cl1.906 Se3 -","- C120 H108 Br4.376 Cl7.624 Se12 -","4","0.5","","Kumar, Abhishek; Yadav, Mantesh K.; Singh, Jagriti; Singh, Jai Deo; Butcher, Ray J.","Facile synthesis of mixed O, S or Se bearing hexasubstituted benzenes and their potential as Cu(ii) ion probe.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5627","5636","10.1039/c9dt00465c","","","0.71073","MoKα","","0.1164","0.0731","","","0.1267","0.1416","","","","","","1.094","","","","has coordinates,has disorder","224103","2020-10-21","18:00:00",""
"7049497","12.166","0.004","13.534","0.004","15.244","0.004","114.409","0.006","105.717","0.006","91.805","0.006","2170.5","1.1","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Mixedhexabenzene","","- C48 H39 F3 Se6 -","- C48 H39 F3 Se6 -","- C96 H78 F6 Se12 -","2","1","","Kumar, Abhishek; Yadav, Mantesh K.; Singh, Jagriti; Singh, Jai Deo; Butcher, Ray J.","Facile synthesis of mixed O, S or Se bearing hexasubstituted benzenes and their potential as Cu(ii) ion probe.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5627","5636","10.1039/c9dt00465c","","","0.71073","MoKα","","0.1526","0.0697","","","0.1477","0.1822","","","","","","0.969","","","","has coordinates,has disorder","224103","2020-10-21","18:00:00",""
"7049498","26.24","0.005","18.585","0.005","20.796","0.005","90","0.005","113.178","0.005","90","0.005","9323","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Th(BTBA)2(CH2SiMe3)2","","- C34 H68 N4 Si6 Th -","- C34 H68 N4 Si6 Th -","- C272 H544 N32 Si48 Th8 -","8","2","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5569","5573","10.1039/c9dt00811j","","","0.71073","MoKα","","0.0425","0.0285","","","0.0526","0.0572","","","","","","1.039","","","","has coordinates","224110","2020-10-21","18:00:00",""
"7049499","23.38","0.003","9.8979","0.0011","20.423","0.002","90","","90.519","0.002","90","","4726","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Th(BTBA)2(OCH2SiMe3)2","","- C34 H68 N4 O2 Si6 Th -","- C34 H68 N4 O2 Si6 Th -","- C136 H272 N16 O8 Si24 Th4 -","4","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5569","5573","10.1039/c9dt00811j","","","0.71073","MoKα","","0.0382","0.0342","","","0.078","0.0797","","","","","","1.083","","","","has coordinates","224110","2020-10-21","18:00:00",""
"7049500","23.921","0.005","11.822","0.002","19.372","0.004","90","","126.69","0.006","90","","4392.9","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Th(TIG)2(OCH2SiMe3)2","","- C34 H78 N6 O2 Si2 Th -","- C34 H78 N6 O2 Si2 Th -","- C136 H312 N24 O8 Si8 Th4 -","4","0.5","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5569","5573","10.1039/c9dt00811j","","","0.71073","MoKα","","0.0201","0.0194","","","0.0463","0.0466","","","","","","1.118","","","","has coordinates","224110","2020-10-21","18:00:00",""
"7049501","24.34","0.002","11.7801","0.0011","18.3484","0.0017","90","","123.578","0.001","90","","4383.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Th(TIG)2(CH2SiMe3)2","","- C34 H78 N6 Si2 Th -","- C34 H78 N6 Si2 Th -","- C136 H312 N24 Si8 Th4 -","4","0.5","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5569","5573","10.1039/c9dt00811j","","","0.71073","MoKα","","0.0145","0.0137","","","0.0326","0.0342","","","","","","1.332","","","","has coordinates","224110","2020-10-21","18:00:00",""
"7049502","18.8563","0.001","12.1439","0.0006","23.6059","0.0013","90","","108.474","0.002","90","","5126.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Th(BTBA)2Cl3Li(TMEDA)","","- C39 H70 Cl3 Li N6 Si4 Th -","- C39 H70 Cl3 Li N6 Si4 Th -","- C156 H280 Cl12 Li4 N24 Si16 Th4 -","4","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5569","5573","10.1039/c9dt00811j","","","0.71073","MoKα","","0.0208","0.0181","","","0.0427","0.0439","","","","","","1.039","","","","has coordinates,has disorder","224110","2020-10-21","18:00:00",""
"7049503","9.9544","0.0016","12.545","0.002","15.474","0.003","85.589","0.008","84.718","0.008","72.616","0.007","1833.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th(TIG)2Cl2(THF)","","- C30 H64 Cl2 N6 O Th -","- C30 H64 Cl2 N6 O Th -","- C60 H128 Cl4 N12 O2 Th2 -","2","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5569","5573","10.1039/c9dt00811j","","","0.71073","MoKα","","0.0315","0.0262","","","0.0548","0.0561","","","","","","1.124","","","","has coordinates","224110","2020-10-21","18:00:00",""
"7049504","47.771","0.009","11.747","0.002","15.183","0.003","90","","97.984","0.004","90","","8438","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H44.5 Fe2 N O3.25 P3 S2 -","- C46 H44 Fe2 N O3.25 P3 S2 -","- C368 H352 Fe16 N8 O26 P24 S16 -","8","1","","Unwin, David G.; Ghosh, Shishir; Ridley, Faith; Richmond, Michael G.; Holt, Katherine B.; Hogarth, Graeme","Models of the iron-only hydrogenase enzyme: structure, electrochemistry and catalytic activity of Fe<sub>2</sub>(CO)<sub>3</sub>(μ-dithiolate)(μ,κ<sup>1</sup>,κ<sup>2</sup>-triphos).","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6174","6190","10.1039/c9dt00700h","","","0.71073","MoKα","","0.0736","0.05","","","0.1107","0.1203","","","","","","1.049","","","","has coordinates","224420","2020-10-21","18:00:00",""
"7049505","9.4439","0.0008","9.6258","0.0009","22.437","0.002","99.783","0.001","95.331","0.002","94.278","0.002","1992.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 Cl2 Fe2 O3 P3 S2 -","- C41 H41 Cl2 Fe2 O3 P3 S2 -","- C82 H82 Cl4 Fe4 O6 P6 S4 -","2","1","","Unwin, David G.; Ghosh, Shishir; Ridley, Faith; Richmond, Michael G.; Holt, Katherine B.; Hogarth, Graeme","Models of the iron-only hydrogenase enzyme: structure, electrochemistry and catalytic activity of Fe<sub>2</sub>(CO)<sub>3</sub>(μ-dithiolate)(μ,κ<sup>1</sup>,κ<sup>2</sup>-triphos).","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6174","6190","10.1039/c9dt00700h","","","0.71073","MoKα","","0.051","0.0405","","","0.095","0.0998","","","","","","1.046","","","","has coordinates","224420","2020-10-21","18:00:00",""
"7049506","10.7764","0.0004","11.6195","0.0004","15.5555","0.0006","72.5308","0.0019","75.6187","0.0018","68.8699","0.0016","1711.41","0.11","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C72.93 H79.63 Al2 Li2 N6 O2 -","- C72.928 H79.632 Al2 Li2 N6 O2 -","- C72.928 H79.632 Al2 Li2 N6 O2 -","1","0.5","","Plajer, Alex J.; Kopf, Sara; Colebatch, Annie L.; Bond, Andrew D.; Wright, Dominic S.; García-Rodríguez, Raúl","Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5692","5697","10.1039/c9dt00869a","","","1.54178","CuKα","","0.1169","0.1029","","","0.2911","0.3055","","","","","","1.054","","","","has coordinates,has disorder","224107","2020-10-21","18:00:00",""
"7049507","10.7764","0.0004","11.6195","0.0004","15.5555","0.0006","72.5308","0.0019","75.6187","0.0018","68.8699","0.0016","1711.41","0.11","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Al2 Li2 N6 O2 -","- C54 H58 Al2 Li2 N6 O2 -","- C54 H58 Al2 Li2 N6 O2 -","1","0.5","","Plajer, Alex J.; Kopf, Sara; Colebatch, Annie L.; Bond, Andrew D.; Wright, Dominic S.; García-Rodríguez, Raúl","Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5692","5697","10.1039/c9dt00869a","","","1.54178","CuKα","","0.0667","0.0563","","","0.1466","0.155","","","","","","1.058","","","","has coordinates","224107","2020-10-21","18:00:00",""
"7049508","10.4621","0.0003","13.0873","0.0004","16.4267","0.0006","86.255","0.0015","71.9417","0.0015","71.1903","0.0014","2022.67","0.12","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Al2 Br4 Li2 N4 O4 -","- C38 H32 Al2 Br4 Li2 N4 O4 -","- C76 H64 Al4 Br8 Li4 N8 O8 -","2","1","","Plajer, Alex J.; Kopf, Sara; Colebatch, Annie L.; Bond, Andrew D.; Wright, Dominic S.; García-Rodríguez, Raúl","Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5692","5697","10.1039/c9dt00869a","","","1.54178","CuKα","","0.048","0.0374","","","0.0848","0.0917","","","","","","1.062","","","","has coordinates","224107","2020-10-21","18:00:00",""
"7049509","11.9268","0.0003","25.7178","0.0007","15.3307","0.0004","90","","100.082","0.0013","90","","4629.8","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 Al2 Li2 N4 O4 -","- C49 H52 Al2 Li2 N4 O4 -","- C196 H208 Al8 Li8 N16 O16 -","4","1","","Plajer, Alex J.; Kopf, Sara; Colebatch, Annie L.; Bond, Andrew D.; Wright, Dominic S.; García-Rodríguez, Raúl","Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5692","5697","10.1039/c9dt00869a","","","1.54178","CuKα","","0.0613","0.0454","","","0.1101","0.1206","","","","","","1.012","","","","has coordinates,has disorder","224107","2020-10-21","18:00:00",""
"7049510","12.018","0.005","19.082","0.007","19.431","0.007","90.35","0.02","102.268","0.019","90.08","0.019","4354","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H21 F18 N6 Nd O6 -","- C36 H21 F18 N6 Nd O6 -","- C144 H84 F72 N24 Nd4 O24 -","4","2","","Ahmed, Zubair; Iftikhar, Khalid","Red, orange-red and near-infrared light emitting ternary lanthanide tris β-diketonate complexes with distorted C<sub>4v</sub> geometrical structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4973","4986","10.1039/c9dt00198k","","","0.71073","MoKα","","0.0597","0.0456","","","0.1333","0.1454","","","","","","1.079","","","","has coordinates","224386","2020-10-21","18:00:00",""
"7049511","12.014","0.005","19.003","0.005","19.429","0.005","90","0.005","103.081","0.005","90","0.005","4321","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 F18 N6 O6 Sm -","- C36 H21 F18 N6 O6 Sm -","- C144 H84 F72 N24 O24 Sm4 -","4","1","","Ahmed, Zubair; Iftikhar, Khalid","Red, orange-red and near-infrared light emitting ternary lanthanide tris β-diketonate complexes with distorted C<sub>4v</sub> geometrical structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4973","4986","10.1039/c9dt00198k","","","0.71073","MoKα","","0.0555","0.0435","","","0.1263","0.139","","","","","","1.11","","","","has coordinates,has disorder","224386","2020-10-21","18:00:00",""
"7049512","12.0178","0.0003","19.05","0.0005","19.4319","0.0005","90","","102.755","0.003","90","","4338.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 F18 N6 O6 Pr -","- C36 H21 F18 N6 O6 Pr -","- C144 H84 F72 N24 O24 Pr4 -","4","1","","Ahmed, Zubair; Iftikhar, Khalid","Red, orange-red and near-infrared light emitting ternary lanthanide tris β-diketonate complexes with distorted C<sub>4v</sub> geometrical structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4973","4986","10.1039/c9dt00198k","","","0.71073","MoKα","","0.0743","0.0506","","","0.1304","0.1417","","","","","","1.078","","","","has coordinates","224386","2020-10-21","18:00:00",""
"7049513","19.166","0.002","19.2","0.002","11.2881","0.0012","90","","90","","90","","4153.9","0.8","228","2","228","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17.5 H19.5 F3 Mn0.5 N3.5 O4 S -","- C17.5 H19.5 F3 Mn0.5 N3.5 O4 S -","- C140 H156 F24 Mn4 N28 O32 S8 -","8","1","","Denler, Melissa C.; Massie, Allyssa A.; Singh, Reena; Stewart-Jones, Eleanor; Sinha, Arup; Day, Victor W.; Nordlander, Ebbe; Jackson, Timothy A.","Mn<sup>IV</sup>-Oxo complex of a bis(benzimidazolyl)-containing N5 ligand reveals different reactivity trends for Mn<sup>IV</sup>-oxo than Fe<sup>IV</sup>-oxo species.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","5007","5021","10.1039/c9dt00308h","","","0.71073","MoKα","","0.0705","0.0477","","","0.1237","0.1445","","","","","","1.053","","","","has coordinates","224387","2020-10-21","18:00:00",""
"7049514","8.9934","0.0015","19.335","0.003","11.3379","0.0019","90","","98.547","0.002","90","","1949.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl4 Mo O -","- C19 H15 Cl4 Mo O -","- C76 H60 Cl16 Mo4 O4 -","4","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.024","0.0227","","","0.0553","0.056","","","","","","1.104","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049515","8.5095","0.0015","12.681","0.002","16.036","0.003","90","","94.183","0.002","90","","1725.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 Nb -","- C19 H15 F6 Nb -","- C76 H60 F24 Nb4 -","4","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0338","0.0266","","","0.0607","0.0647","","","","","","1.044","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049516","14.5","0.003","26.776","0.006","7.1309","0.0015","90","","90","","90","","2768.6","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0697","0.059","","","0.1242","0.1285","","","","","","1.247","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049517","5.387","0.015","9.02","0.03","11.16","0.03","90","","101.87","0.05","90","","531","3","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Cl O2 -","- C4 H5 Cl O2 -","- C16 H20 Cl4 O8 -","4","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.2203","0.1338","","","0.2851","0.3275","","","","","","1.081","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049518","7.3476","0.0006","15.2022","0.0011","10.9707","0.0009","90","","91.96","0.003","90","","1224.71","0.17","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","2","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0593","0.0489","","","0.0962","0.0995","","","","","","1.07","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049519","9.062","0.009","14.647","0.014","9.918","0.01","90","","96.13","0.02","90","","1309","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0508","0.0458","","","0.1083","0.1114","","","","","","1.081","","","","has coordinates","224095","2020-10-21","18:00:00",""
"7049520","17.897","0.003","10.5524","0.0018","25.825","0.005","90","","106.889","0.002","90","","4666.9","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Cl12 O2 Ti2 -","- C41 H34 Cl12 O2 Ti2 -","- C164 H136 Cl48 O8 Ti8 -","4","1","","Bartalucci, Niccolò; Marchetti, Fabio; Zacchini, Stefano; Pampaloni, Guido","Decarbonylation of phenylacetic acids by high valent transition metal halides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5725","5734","10.1039/c9dt00551j","","","0.71073","MoKα","","0.0816","0.0617","","","0.1725","0.1896","","","","","","1.045","","","","has coordinates,has disorder","224095","2020-10-21","18:00:00",""
"7049521","7.4893","0.0003","9.7967","0.0004","12.1077","0.0005","97.4994","0.0016","106.952","0.0016","107.569","0.0016","786.51","0.06","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C30 H32 Cu2 N8 O14 -","2","2","","Lee, Khei Yan; Ng, Yi Ling; Wang, Wai San; Ng, Pei Ying; Chan, Cheang Wei; Lai, Jing Wei; Davamani, Fabian; Chitra, Ebenezer; Lim, Wei Meng; Ganguly, Rakesh; Maah, Mohd Jamil; Yip, Foo Win; Ng, Chew Hee","Enantiomeric pairs of ternary copper(ii) complexes and their aldol-type condensation products: synthesis, characterization, and anticancer and epigenetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4987","4999","10.1039/c9dt00506d","","","0.71073","MoKα","","0.0262","0.0244","","","0.0638","0.0645","","","","","","1.074","","","","has coordinates","224376","2020-10-21","18:00:00",""
"7049522","6.6836","0.0003","12.2756","0.0004","21.8809","0.0008","90","","90","","90","","1795.22","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aqua(1.10-phenanthroline)(oxazolidine-4-carboxylato)copper(II) nitrate monohydrate","","- C16 H18 Cu N4 O8 -","- C16 H18 Cu N4 O8 -","- C64 H72 Cu4 N16 O32 -","4","1","","Lee, Khei Yan; Ng, Yi Ling; Wang, Wai San; Ng, Pei Ying; Chan, Cheang Wei; Lai, Jing Wei; Davamani, Fabian; Chitra, Ebenezer; Lim, Wei Meng; Ganguly, Rakesh; Maah, Mohd Jamil; Yip, Foo Win; Ng, Chew Hee","Enantiomeric pairs of ternary copper(ii) complexes and their aldol-type condensation products: synthesis, characterization, and anticancer and epigenetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4987","4999","10.1039/c9dt00506d","","","0.71073","MoKα","","0.0383","0.0312","","","0.0705","0.0726","","","","","","1.021","","","","has coordinates","224376","2020-10-21","18:00:00",""
"7049523","15.5162","0.0007","13.4129","0.0006","16.3229","0.0006","90","","104.392","0.003","90","","3290.5","0.2","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N Ni O5 P2 S -","- C34 H39 N Ni O5 P2 S -","- C136 H156 N4 Ni4 O20 P8 S4 -","4","1","","Al-Jibori, Subhi A; Ali, Samer Hussein; Al-Janabi, Ahmed S; Wagner, Christoph; Hogarth, Graeme","Phosphine-promoted ring-opening of benzisothiazolinate ligands at a nickel(ii) centre: a convenient synthesis of Ni(ii)-thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5520","5522","10.1039/c9dt00953a","","","0.71073","MoKα","","0.0724","0.0554","","","0.1507","0.1587","","","","","","0.959","","","","has coordinates","224091","2020-10-21","18:00:00",""
"7049524","10.9912","0.0004","27.0617","0.0012","11.4178","0.0004","90","","98.521","0.003","90","","3358.6","0.2","213","","213","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N2 Ni O P2 S2 -","- C39 H30 N2 Ni O P2 S2 -","- C156 H120 N8 Ni4 O4 P8 S8 -","4","1","","Al-Jibori, Subhi A; Ali, Samer Hussein; Al-Janabi, Ahmed S; Wagner, Christoph; Hogarth, Graeme","Phosphine-promoted ring-opening of benzisothiazolinate ligands at a nickel(ii) centre: a convenient synthesis of Ni(ii)-thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5520","5522","10.1039/c9dt00953a","","","0.71073","MoKα","","0.0416","0.0292","","","0.0677","0.0724","","","","","","1.015","","","","has coordinates","224091","2020-10-21","18:00:00",""
"7049525","15.7991","0.0006","14.1552","0.0005","16.1484","0.0006","90","","106.068","0.003","90","","3470.3","0.2","213","","213","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 N Ni O3 P2 S -","- C37 H41 N Ni O3 P2 S -","- C148 H164 N4 Ni4 O12 P8 S4 -","4","1","","Al-Jibori, Subhi A; Ali, Samer Hussein; Al-Janabi, Ahmed S; Wagner, Christoph; Hogarth, Graeme","Phosphine-promoted ring-opening of benzisothiazolinate ligands at a nickel(ii) centre: a convenient synthesis of Ni(ii)-thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5520","5522","10.1039/c9dt00953a","","","0.71073","MoKα","","0.052","0.0329","","","0.0695","0.0759","","","","","","1.012","","","","has coordinates","224091","2020-10-21","18:00:00",""
"7049526","20.1772","0.0003","25.6535","0.0004","53.992","0.0009","90","","98.105","0.001","90","","27668","0.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H136 Ag4 Cd6 N8 O4 S16 -","- C122 H108 Ag4 Cd6 N4 S16 -","- C976 H864 Ag32 Cd48 N32 S128 -","8","1","","Xu, Chao; Sheng, Ming-Ming; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng","Interlinking supertetrahedral chalcogenolate clusters with bipyridines to form two-dimensional coordination polymers for photocatalytic degradation of organic dye.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5505","5510","10.1039/c9dt00480g","","","0.71073","MoKα","","0.1288","0.061","","","0.1486","0.1698","","","","","","1.008","","","","has coordinates,has disorder","224113","2020-10-21","18:00:00",""
"7049527","17.0418","0.0003","17.8011","0.0003","20.4041","0.0003","92.78","0.001","91.35","0.001","101.372","0.001","6057.71","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H112 Ag4 Cd6 N4 O5 S16 -","- C106 H105 Ag4 Cd6 N3 O4 S16 -","- C212 H210 Ag8 Cd12 N6 O8 S32 -","2","1","","Xu, Chao; Sheng, Ming-Ming; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng","Interlinking supertetrahedral chalcogenolate clusters with bipyridines to form two-dimensional coordination polymers for photocatalytic degradation of organic dye.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5505","5510","10.1039/c9dt00480g","","","0.71073","MoKα","","0.0572","0.0376","","","0.0896","0.1006","","","","","","0.998","","","","has coordinates,has disorder","224113","2020-10-21","18:00:00",""
"7049528","18.2015","0.0014","20.1673","0.0017","21.5676","0.0019","67.211","0.006","86.452","0.006","68.354","0.005","6753.8","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H123 Ag4 Cd6 N5 O7 Se16 -","- C106 H105 Ag4 Cd6 N3 O4 Se16 -","- C212 H210 Ag8 Cd12 N6 O8 Se32 -","2","1","","Xu, Chao; Sheng, Ming-Ming; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng","Interlinking supertetrahedral chalcogenolate clusters with bipyridines to form two-dimensional coordination polymers for photocatalytic degradation of organic dye.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5505","5510","10.1039/c9dt00480g","","","0.71073","MoKα","","0.256","0.0849","","","0.1838","0.2152","","","","","","0.979","","","","has coordinates,has disorder","224113","2020-10-21","18:00:00",""
"7049529","20.407","","25.953","","54.744","","90","","97.96","","90","","28714.3","","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C137 H143 Ag4 Cd6 N9 O5 Se16 -","- C122 H108 Ag4 Cd6 N4 Se16 -","- C976 H864 Ag32 Cd48 N32 Se128 -","8","1","","Xu, Chao; Sheng, Ming-Ming; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng","Interlinking supertetrahedral chalcogenolate clusters with bipyridines to form two-dimensional coordination polymers for photocatalytic degradation of organic dye.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5505","5510","10.1039/c9dt00480g","","","0.71073","MoKα","","0.1977","0.0736","","","0.1774","0.2088","","","","","","0.938","","","","has coordinates,has disorder","224113","2020-10-21","18:00:00",""
"7049530","13.845","0.0002","14.9545","0.0002","31.694","0.0004","90","","96.521","0.001","90","","6519.63","0.15","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H106.67 B4 O4 U1.33 -","- C80 H106.667 B4 O4 U1.33333 -","- C240 H320 B12 O12 U4 -","3","0.75","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.0573","0.0411","","","0.0711","0.0752","","","","","","1.043","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049531","15.9113","0.0005","16.1748","0.0007","36.3982","0.001","89.191","0.003","89.908","0.002","66.724","0.003","8604.2","0.6","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C181 B6 O9 U2 -","- C181 B6 O9 U2 -","- C362 B12 O18 U4 -","2","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.189","0.1161","","","0.2673","0.319","","","","","","1.059","","","","has coordinates,has disorder","224395","2020-10-21","18:00:00",""
"7049532","14.1285","0.001","15.8427","0.0012","16.6496","0.0012","103.798","0.006","105.012","0.006","98.607","0.006","3405.7","0.5","170","0","170","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H92 B4 O5 U -","- C74 H92 B4 O5 U -","- C148 H184 B8 O10 U2 -","2","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.1047","0.0688","","","0.0782","0.087","","","","","","0.992","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049533","12.3086","0.0002","14.3349","0.0002","21.6092","0.0004","77.206","0.001","87.126","0.001","84.907","0.001","3701.62","0.11","293","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H72 B3 O3 S2 U -","- C63 H72 B3 O3 S2 U -","- C126 H144 B6 O6 S4 U2 -","2","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.0561","0.0442","","","0.1084","0.1141","","","","","","1.032","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049534","12.0703","0.0002","13.1641","0.0002","15.6746","0.0003","102.222","0.002","98.27","0.001","90.122","0.001","2407.48","0.07","293","2","170","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H152 B2 N6 O2 Si12 U2 -","- C72 H152 B2 N6 O2 Si12 U2 -","- C72 H152 B2 N6 O2 Si12 U2 -","1","0.5","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.0299","0.024","","","0.0533","0.0552","","","","","","1.065","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049535","15.3907","0.0002","22.7218","0.0002","16.9809","0.0002","90","","109.68","0.002","90","","5591.43","0.13","293","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H88 B4 K1.33 O5.33 U1.33 -","- C72 H88 B4 K1.33333 O5.33333 U1.33333 -","- C216 H264 B12 K4 O16 U4 -","3","0.75","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.0445","0.0301","","","0.0646","0.0687","","","","","","1.025","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049536","17.2121","0.0004","23.03","0.0004","23.4449","0.0006","72.304","0.002","80.146","0.002","70.091","0.002","8300.8","0.3","293","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H92 B4 O5.5 P U -","- C81 H92 B4 O5.5 P U -","- C324 H368 B16 O22 P4 U4 -","4","2","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.1024","0.0582","","","0.1078","0.1226","","","","","","0.999","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049537","16.5344","0.0007","27.8539","0.0008","20.2709","0.0007","90","","97.88","0.004","90","","9247.6","0.6","293","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H147.98 B3 O4 U -","- C94 H147.98 B3 O4 U -","- C376 H591.92 B12 O16 U4 -","4","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.1509","0.0801","","","0.0985","0.1155","","","","","","1.03","","","","has coordinates,has disorder","224395","2020-10-21","18:00:00",""
"7049538","22.0131","0.0004","19.402","0.0003","30.6714","0.0006","90","","108.923","0.002","90","","12391.7","0.4","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H192 B4 O4 U -","- C127 H192 B4 O4 U -","- C508 H768 B16 O16 U4 -","4","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","x-ray","0.71073","MoKα","","0.0858","0.0466","","","0.1016","0.1164","","","","","","1.021","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049539","18.9897","0.0002","17.1462","0.0002","36.7532","0.0004","90","","90","","90","","11966.9","0.2","293","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H100 B N3 O Si6 U -","- C48 H100 B N3 O Si6 U -","- C384 H800 B8 N24 O8 Si48 U8 -","8","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","","0.71073","MoKα","","0.0524","0.0361","","","0.0669","0.0714","","","","","","1.055","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049540","13.8721","0.0008","13.8721","0.0008","15.0022","0.0018","90","","90","","120","","2500.2","0.4","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C24 H54 N3 O11 P2 Yb -","- C24 H54 N3 O11 P2 Yb -","- C48 H108 N6 O22 P4 Yb2 -","2","0.0833333","","Zhao, Wen; Cui, Huihui; Chen, Xiao-Yun; Yi, Gangji; Chen, Lei; Yuan, Aihua; Luo, Cheng-Lin","An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry exhibiting field-induced single-ion magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5621","5626","10.1039/c9dt00663j","","","0.71073","MoKα","","0.084","0.0756","","","0.2339","0.241","","","","","","1.165","","","","has coordinates","224104","2020-10-21","18:00:00",""
"7049541","13.9163","0.0014","13.9163","0.0014","15.107","0.004","90","","90","","120","","2533.7","0.8","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C24 H54 N3 O11 P2 Tb -","- C24 H60 N3 O11 P2 Tb -","- C48 H120 N6 O22 P4 Tb2 -","2","0.0833333","","Zhao, Wen; Cui, Huihui; Chen, Xiao-Yun; Yi, Gangji; Chen, Lei; Yuan, Aihua; Luo, Cheng-Lin","An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry exhibiting field-induced single-ion magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5621","5626","10.1039/c9dt00663j","","","0.71073","MoKα","","0.0818","0.0763","","","0.2075","0.2111","","","","","","1.118","","","","has coordinates","224104","2020-10-21","18:00:00",""
"7049542","11.607","0.008","14.949","0.006","15.867","0.011","93.57","0.04","108.77","0.05","96.43","0.05","2576","3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H102 P4 Pt2 Si2 -","- C106 H102 P4 Pt2 Si2 -","- C106 H102 P4 Pt2 Si2 -","1","0.5","","Zheng, Qinglin; Schneider, Jakob F.; Amini, Hashem; Hampel, Frank; Gladysz, John A.","Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring X[PtC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]C]<sub>m</sub>PtX segments; iterative syntheses and functionalization for measurements of single molecule properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5800","5816","10.1039/c9dt00870e","","","0.71073","MoKα","","0.1358","0.0743","","","0.1566","0.1858","","","","","","0.977","","","","has coordinates","224093","2020-10-21","18:00:00",""
"7049543","10.9509","0.0002","12.2243","0.0001","17.821","0.0003","70.7936","0.0009","84.6362","0.0008","75.8053","0.001","2183.86","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 O P2 Pt S -","- C51 H52 O P2 Pt S -","- C102 H104 O2 P4 Pt2 S2 -","2","1","","Zheng, Qinglin; Schneider, Jakob F.; Amini, Hashem; Hampel, Frank; Gladysz, John A.","Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring X[PtC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]C]<sub>m</sub>PtX segments; iterative syntheses and functionalization for measurements of single molecule properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5800","5816","10.1039/c9dt00870e","","","0.71073","MoKα","","0.0276","0.0237","","","0.0597","0.0612","","","","","","1.07","","","","has coordinates","224093","2020-10-21","18:00:00",""
"7049544","11.2088","0.0001","37.2486","0.0003","11.5503","0.0001","90","","113.291","0.001","90","","4429.41","0.07","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H96 Cl2 O2 P4 Pt2 -","- C98 H96 Cl2 O2 P4 Pt2 -","- C196 H192 Cl4 O4 P8 Pt4 -","2","0.5","","Zheng, Qinglin; Schneider, Jakob F.; Amini, Hashem; Hampel, Frank; Gladysz, John A.","Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring X[PtC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]C]<sub>m</sub>PtX segments; iterative syntheses and functionalization for measurements of single molecule properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5800","5816","10.1039/c9dt00870e","","","0.71073","MoKα","","0.0492","0.0292","","","0.0695","0.0915","","","","","","1.04","","","","has coordinates,has disorder","224093","2020-10-21","18:00:00",""
"7049545","11.823","0.002","24.855","0.004","10.5044","0.0016","90","","100.333","0.006","90","","3036.8","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 O12 -","- C33 H32 O12 -","- C132 H128 O48 -","4","1","","Wang, Yang; Liu, Tianyin; Jiang, Jie; Chen, Yanmei; Cen, Moupan; Lu, Dou; Cao, Leyu; Sun, Siyu; Yao, Yong","Syntheses of water-soluble acyclic naphthalene oligomers and their applications in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6333","6336","10.1039/c9dt00709a","","","0.71073","MoKα","","0.1638","0.0644","","","0.1295","0.1628","","","","","","1.009","","","","has coordinates","224179","2020-10-21","18:00:00",""
"7049546","12.2754","0.0008","12.9357","0.0008","14.5715","0.0009","112.816","0.001","98.877","0.001","108.979","0.001","1909.6","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57.7 H76 Cl2 Dy4 F6 N10 O22.3 P2 -","- C57.7 H76 Cl2 Dy4 F6 N10 O22.3 P2 -","- C57.7 H76 Cl2 Dy4 F6 N10 O22.3 P2 -","1","0.5","","Biswas, Sourav; Kumar, Pawan; Swain, Abinash; Gupta, Tulika; Kalita, Pankaj; Kundu, Subrata; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Phosphonate-assisted tetranuclear lanthanide assemblies: observation of the toroidic ground state in the Tb<sup>III</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6421","6434","10.1039/c9dt00592g","","","0.71073","MoKα","","0.0384","0.0264","","","0.0506","0.0542","","","","","","1.027","","","","has coordinates,has disorder","224177","2020-10-21","18:00:00",""
"7049547","12.2855","0.0005","12.86","0.0005","14.6338","0.0006","112.561","0.001","99.355","0.001","108.988","0.001","1906.44","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C55.62 H70 Cl2 F6 N10 O20.38 P2 Tb4 -","- C55.62 H70 Cl2 F6 N10 O20.38 P2 Tb4 -","- C55.62 H70 Cl2 F6 N10 O20.38 P2 Tb4 -","1","0.5","","Biswas, Sourav; Kumar, Pawan; Swain, Abinash; Gupta, Tulika; Kalita, Pankaj; Kundu, Subrata; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Phosphonate-assisted tetranuclear lanthanide assemblies: observation of the toroidic ground state in the Tb<sup>III</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6421","6434","10.1039/c9dt00592g","","","0.71073","MoKα","","0.0433","0.0303","","","0.0703","0.0747","","","","","","1.047","","","","has coordinates,has disorder","224177","2020-10-21","18:00:00",""
"7049548","12.294","0.005","12.897","0.005","14.668","0.005","112.258","0.005","99.43","0.005","108.876","0.005","1924.7","1.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H38 Cl F3 Gd2 N5 O11 P -","- C29 H38 Cl F3 Gd2 N5 O11 P -","- C58 H76 Cl2 F6 Gd4 N10 O22 P2 -","2","1","","Biswas, Sourav; Kumar, Pawan; Swain, Abinash; Gupta, Tulika; Kalita, Pankaj; Kundu, Subrata; Rajaraman, Gopalan; Chandrasekhar, Vadapalli","Phosphonate-assisted tetranuclear lanthanide assemblies: observation of the toroidic ground state in the Tb<sup>III</sup> analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6421","6434","10.1039/c9dt00592g","","","0.71069","MoKα","","0.0394","0.0284","","","0.0656","0.0695","","","","","","1.027","","","","has coordinates","224177","2020-10-21","18:00:00",""
"7049549","12.1598","0.0005","14.1021","0.0006","23.8608","0.0012","78.079","0.004","82.282","0.004","83.825","0.003","3953.6","0.3","293","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H48 Co2 Cu3 Mo10 N8 O50 -","- C32 H48 Co2 Cu3 Mo10 N8 O50 -","- C64 H96 Co4 Cu6 Mo20 N16 O100 -","2","1","","Li, Feng-Cai; Tan, Li-Kun; Li, Xi-Li; Kong, Hua-Jie; Ge, Li-Ming; Yue, Ling-Yu; Han, Li-Feng","Syntheses, structures and catalytic properties of Evans-Showell-type polyoxometalate-based 3D metal-organic complexes constructed from the semi-rigid bis(pyridylformyl)piperazine ligand and transition metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5831","5841","10.1039/c9dt00499h","","","0.71073","MoKα","","0.1279","0.0923","","","0.2229","0.2481","","","","","","1.06","","","","has coordinates","224117","2020-10-21","18:00:00",""
"7049550","21.544","0.002","14.2328","0.0012","24.246","0.003","90","","104.817","0.01","90","","7187.4","1.3","298.15","","298.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Co2 Mo10 N8 O50 Zn2 -","- C32 H44 Co2 Mo10 N8 O50 Zn2 -","- C128 H176 Co8 Mo40 N32 O200 Zn8 -","4","0.5","","Li, Feng-Cai; Tan, Li-Kun; Li, Xi-Li; Kong, Hua-Jie; Ge, Li-Ming; Yue, Ling-Yu; Han, Li-Feng","Syntheses, structures and catalytic properties of Evans-Showell-type polyoxometalate-based 3D metal-organic complexes constructed from the semi-rigid bis(pyridylformyl)piperazine ligand and transition metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5831","5841","10.1039/c9dt00499h","","","0.71073","MoKα","","0.1109","0.0921","","","0.2025","0.2129","","","","","","1.091","","","","has coordinates","224117","2020-10-21","18:00:00",""
"7049551","8.17","0.002","14.187","0.004","20.986","0.006","90","","92.499","0.008","90","","2430.1","1.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B N4 P -","- C27 H24 B N4 P -","- C108 H96 B4 N16 P4 -","4","1","","Wang, Zhi; Jin, Yunhe; Zhang, Wenquan; Wang, Binshen; Liu, Tianlin; Zhang, Jiaheng; Zhang, Qinghua","Synthesis and hypergolic properties of flammable ionic liquids based on the cyano (1H-1,2,3-triazole-1-yl) dihydroborate anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6198","6204","10.1039/c9dt00958b","","","0.71073","MoKα","","0.0951","0.054","","","0.1234","0.145","","","","","","1.002","","","","has coordinates","224416","2020-10-21","18:00:00",""
"7049552","19.3991","0.0004","11.4101","0.0002","31.8762","0.0007","90","","103.192","0.002","90","","6869.5","0.2","135","0.1","135","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H39 N2 O3 Ru S2 -","- C35 H39 N2 O3 Ru S2 -","- C280 H312 N16 O24 Ru8 S16 -","8","1","","Wang, Tao; Xie, Qingxiao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Wang, Jianhui; Wu, Botao","A 3,4-dimercapto-3-cyclobutene-1,2-dione-chelated ruthenium carbene catalyst for Z-stereoretentive/stereoselective olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6473","6483","10.1039/c9dt01016e","","x-ray","1.54184","CuKα","","0.0308","0.028","","","0.0705","0.0722","","","","","","1.037","","","","has coordinates","224180","2020-10-21","18:00:00",""
"7049553","47.195","0.009","7.5213","0.0015","12.183","0.002","90","","90","","90","","4324.6","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Se6 Sn -","- Ga2 Ge Se6 Sn -","- Ga32 Ge16 Se96 Sn16 -","16","1","","Li, Zhuang; Zhang, Shengzi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","SnGa<sub>2</sub>GeSe<sub>6</sub>, a benign addition to the AMM<sup>IV</sup>Q<sub>6</sub> family: synthesis, crystal structure and nonlinear optical performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6638","6644","10.1039/c9dt00184k","","","0.71073","MoKα","","0.04","0.0361","","","0.0699","0.0717","","","","","","1.021","","","","has coordinates","224169","2020-10-21","18:00:00",""
"7049554","9.7186","0.0006","11.8743","0.0007","18.0974","0.0011","71.496","0.004","79.588","0.004","79.316","0.004","1929.4","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H35 Cl2 N P Ru S2 -","- C37 H35 Cl2 N P Ru S2 -","- C74 H70 Cl4 N2 P2 Ru2 S4 -","2","1","","Biswas, Nandita; Das, Kalicharan; Sardar, Bitan; Srimani, Dipankar","Acceptorless dehydrogenative construction of C[double bond, length as m-dash]N and C[double bond, length as m-dash]C bonds through catalytic aza-Wittig and Wittig reactions in the presence of an air-stable ruthenium pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6501","6512","10.1039/c8dt04725a","","","0.71073","MoKα","","0.0906","0.0581","","","0.1626","0.1827","","","","","","1.001","","","","has coordinates","224174","2020-10-21","18:00:00",""
"7049555","10.137","0.0004","11.4066","0.0004","16.0632","0.0006","73.196","0.002","80.92","0.002","67.294","0.002","1638","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 Cl4 N4 P2 Ru2 S2 -","- C64 H58 Cl4 N4 P2 Ru2 S2 -","- C64 H58 Cl4 N4 P2 Ru2 S2 -","1","0.5","","Biswas, Nandita; Das, Kalicharan; Sardar, Bitan; Srimani, Dipankar","Acceptorless dehydrogenative construction of C[double bond, length as m-dash]N and C[double bond, length as m-dash]C bonds through catalytic aza-Wittig and Wittig reactions in the presence of an air-stable ruthenium pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6501","6512","10.1039/c8dt04725a","","","0.71073","MoKα","","0.0643","0.0425","","","0.0897","0.104","","","","","","0.965","","","","has coordinates","224174","2020-10-21","18:00:00",""
"7049556","10.7565","0.0006","12.0194","0.0007","12.736","0.0008","90.215","0.005","92.041","0.005","107.252","0.005","1571.34","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H36 Cl2 N P Ru S2 -","- C31 H36 Cl2 N P Ru S2 -","- C62 H72 Cl4 N2 P2 Ru2 S4 -","2","1","","Biswas, Nandita; Das, Kalicharan; Sardar, Bitan; Srimani, Dipankar","Acceptorless dehydrogenative construction of C[double bond, length as m-dash]N and C[double bond, length as m-dash]C bonds through catalytic aza-Wittig and Wittig reactions in the presence of an air-stable ruthenium pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6501","6512","10.1039/c8dt04725a","","","0.71073","MoKα","","0.0705","0.0492","","","0.1196","0.1385","","","","","","0.977","","","","has coordinates","224174","2020-10-21","18:00:00",""
"7049557","20.5794","0.0015","11.4538","0.0007","18.0531","0.0015","90","","111.791","0.009","90","","3951.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Co F12 N4 O3 P2 -","- C34 H38 Co F12 N4 O3 P2 -","- C136 H152 Co4 F48 N16 O12 P8 -","4","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","0.71073","MoKα","","0.1","0.0861","","","0.2322","0.2431","","","","","","1.036","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049558","9.4342","0.0002","12.48","0.0003","12.6695","0.0002","102.318","0.002","97.292","0.002","92.148","0.002","1442.35","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H52 Co2 F12 N10 O2 P2 -","- C62 H52 Co2 F12 N10 O2 P2 -","- C62 H52 Co2 F12 N10 O2 P2 -","1","0.5","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0584","0.0532","","","0.1482","0.1526","","","","","","1.074","","","","has coordinates","224182","2020-10-21","18:00:00",""
"7049559","9.0269","0.0002","14.0229","0.0004","15.4725","0.0003","114.122","0.002","92.385","0.001","105.6","0.002","1695.92","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Cl F6 N5 P Zn -","- C35 H35 Cl F6 N5 P Zn -","- C70 H70 Cl2 F12 N10 P2 Zn2 -","2","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0827","0.0796","","","0.2575","0.262","","","","","","1.245","","","","has coordinates","224182","2020-10-21","18:00:00",""
"7049560","11.627","0.0001","14.478","0.0001","16.6429","0.0002","90","","109.253","0.001","90","","2644.91","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Cu F12 N4 O2 P2 -","- C25 H16 Cu F12 N4 O2 P2 -","- C100 H64 Cu4 F48 N16 O8 P8 -","4","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0417","0.039","","","0.1095","0.1118","","","","","","1.025","","","","has coordinates","224182","2020-10-21","18:00:00",""
"7049561","9.6288","0.0002","12.0061","0.0002","16.9177","0.0002","100.669","0.001","97.557","0.001","111.039","0.001","1751.54","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H33 Co F12 N5 O3 P2 -","- C31 H33 Co F12 N5 O3 P2 -","- C62 H66 Co2 F24 N10 O6 P4 -","2","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0507","0.0473","","","0.1258","0.1285","","","","","","1.038","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049562","9.6742","0.0019","13.311","0.003","13.419","0.003","67.9","0.03","78.59","0.03","89.36","0.03","1565.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60.76 H57.03 F18 Fe2 N8 O4.76 P3 -","- C60.758 H57.032 F18 Fe2 N8 O4.758 P3 -","- C60.758 H57.032 F18 Fe2 N8 O4.758 P3 -","1","0.5","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0435","0.0426","","","0.1233","0.124","","","","","","1.164","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049563","14.5775","0.0001","13.1921","0.0001","16.6972","0.0001","90","","98.116","0.001","90","","3178.84","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cu F12 N5 P2 -","- C31 H27 Cu F12 N5 P2 -","- C124 H108 Cu4 F48 N20 P8 -","4","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0507","0.0484","","","0.1367","0.1386","","","","","","1.107","","","","has coordinates","224182","2020-10-21","18:00:00",""
"7049564","13.4587","0.001","12.5513","0.0009","20.0189","0.0014","90","","96.006","0.004","90","","3363.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 F12 Fe N6 P2 -","- C33 H30 F12 Fe N6 P2 -","- C132 H120 F48 Fe4 N24 P8 -","4","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","0.71073","MoKα","","0.1438","0.085","","","0.2021","0.2326","","","","","","1.022","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049565","8.90691","0.00018","19.3126","0.0004","23.1855","0.0004","90","","99.2505","0.0016","90","","3936.4","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 F12 N5 Ni O3 P2 -","- C35 H41 F12 N5 Ni O3 P2 -","- C140 H164 F48 N20 Ni4 O12 P8 -","4","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0869","0.0727","","","0.1947","0.2056","","","","","","1.05","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049566","13.5658","0.0001","14.0483","0.0001","14.1414","0.0001","83.802","0.001","84.964","0.001","82.54","0.001","2649.14","0.03","100.01","0.1","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H43 F12 Fe2 N9 O4 P2 S -","- C56 H43 F12 Fe2 N9 O4 P2 S -","- C112 H86 F24 Fe4 N18 O8 P4 S2 -","2","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","1.54184","CuKα","","0.0269","0.0261","","","0.0706","0.0711","","","","","","1.043","","","","has coordinates","224182","2020-10-21","18:00:00",""
"7049567","12.4834","0.0008","28.3893","0.0016","20.6218","0.0012","90","","98.475","0.006","90","","7228.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cu F12 N5 P2 -","- C35 H35 Cu F12 N5 P2 -","- C280 H280 Cu8 F96 N40 P16 -","8","2","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","0.71073","MoKα","","0.1124","0.0725","","","0.158","0.1691","","","","","","1.058","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049568","13.266","0.005","16.158","0.006","16.489","0.006","93.441","0.014","103.769","0.013","109.242","0.013","3204","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 F18 N11 O P3 Zn2 -","- C64 H58 F18 N11 O P3 Zn2 -","- C128 H116 F36 N22 O2 P6 Zn4 -","2","1","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","0.71073","MoKα","","0.0679","0.0488","","","0.1248","0.1381","","","","","","1.027","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049569","9.4135","0.0003","12.4551","0.0004","12.8728","0.0005","103.555","0.002","97.785","0.002","92.746","0.002","1448.74","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H46 F12 Fe2 N8 O2 P2 -","- C58 H46 F12 Fe2 N8 O2 P2 -","- C58 H46 F12 Fe2 N8 O2 P2 -","1","0.5","","Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny","Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6396","6407","10.1039/c9dt00828d","","","0.71073","MoKα","","0.057","0.0444","","","0.112","0.1188","","","","","","1.053","","","","has coordinates,has disorder","224182","2020-10-21","18:00:00",""
"7049570","15.5684","0.0006","8.9172","0.0005","35.2491","0.0017","90","","100.255","0.004","90","","4815.3","0.4","150","","150","","","","","","","","see text","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H43 B N2 Si2 -","- C19 H43 B N2 Si2 -","- C152 H344 B8 N16 Si16 -","8","1","","Dübek, Gizem; Franz, Daniel; Eisenhut, Carsten; Altmann, Philipp J.; Inoue, Shigeyoshi","Reactivity of an NHC-stabilized pyramidal hydrosilylene with electrophilic boron sources.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5756","5765","10.1039/c9dt00608g","","x-ray","1.54184","CuKα","","0.0844","0.0714","","","0.1743","0.1863","","","","","","1.052","","","","has coordinates,has disorder","224116","2020-10-21","18:00:00",""
"7049571","9.131","0.005","20.191","0.011","14.376","0.008","90","","93.274","0.017","90","","2646","3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H40 B Br3 N2 Si2 -","- C19 H40 B Br3 N2 Si2 -","- C76 H160 B4 Br12 N8 Si8 -","4","1","","Dübek, Gizem; Franz, Daniel; Eisenhut, Carsten; Altmann, Philipp J.; Inoue, Shigeyoshi","Reactivity of an NHC-stabilized pyramidal hydrosilylene with electrophilic boron sources.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5756","5765","10.1039/c9dt00608g","","x-ray","0.71073","MoKα","","0.0577","0.0396","","","0.0784","0.0837","","","","","","1.048","","","","has coordinates,has disorder","224116","2020-10-21","18:00:00",""
"7049572","8.3084","0.0007","8.579","0.0007","19.8196","0.0016","81.99","0.003","81.622","0.003","61.427","0.002","1223.45","0.18","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C19 H44 B N3 Si2 -","- C19 H44 B N3 Si2 -","- C38 H88 B2 N6 Si4 -","2","1","","Dübek, Gizem; Franz, Daniel; Eisenhut, Carsten; Altmann, Philipp J.; Inoue, Shigeyoshi","Reactivity of an NHC-stabilized pyramidal hydrosilylene with electrophilic boron sources.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5756","5765","10.1039/c9dt00608g","","x-ray","0.71073","MoKα","","0.0584","0.0509","","","0.1179","0.1258","","","","","","1.134","","","","has coordinates","224116","2020-10-21","18:00:00",""
"7049573","8.6853","0.0005","9.056","0.0005","20.722","0.0012","85.276","0.002","89.604","0.002","63.638","0.002","1454.61","0.15","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C25 H45 B Br2 N2 Si2 -","- C25 H45 B Br2 N2 Si2 -","- C50 H90 B2 Br4 N4 Si4 -","2","1","","Dübek, Gizem; Franz, Daniel; Eisenhut, Carsten; Altmann, Philipp J.; Inoue, Shigeyoshi","Reactivity of an NHC-stabilized pyramidal hydrosilylene with electrophilic boron sources.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5756","5765","10.1039/c9dt00608g","","x-ray","0.71073","MoKα","","0.0395","0.0378","","","0.0937","0.0945","","","","","","1.169","","","","has coordinates","224116","2020-10-21","18:00:00",""
"7049574","9.8345","0.0006","12.3291","0.0007","12.8154","0.0008","107.355","0.004","102.966","0.004","98.309","0.004","1407.48","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H90 Fe2 N4 P4 Si4 -","- C50 H90 Fe2 N4 P4 Si4 -","- C50 H90 Fe2 N4 P4 Si4 -","1","0.5","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.0613","0.0368","","","0.0773","0.0863","","","","","","1.016","","","","has coordinates","224412","2020-10-21","18:00:00",""
"7049575","12.0271","0.0008","11.9819","0.0009","28.018","0.0019","90","","90","","90","","4037.6","0.5","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Br Fe N2 P Si2 -","- C16 H26 Br Fe N2 P Si2 -","- C128 H208 Br8 Fe8 N16 P8 Si16 -","8","1","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.05","0.0313","","","0.0555","0.0596","","","","","","1.014","","","","has coordinates","224412","2020-10-21","18:00:00",""
"7049576","11.028","0.0005","11.9843","0.0006","16.0493","0.0008","90","","106.938","0.002","90","","2029.11","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl Fe N2 P -","- C20 H30 Cl Fe N2 P -","- C80 H120 Cl4 Fe4 N8 P4 -","4","1","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.0452","0.0347","","","0.0774","0.0822","","","","","","1.022","","","","has coordinates,has disorder","224412","2020-10-21","18:00:00",""
"7049577","6.1281","0.0006","11.3691","0.0011","17.4983","0.0017","90","","97.226","0.006","90","","1209.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Cl4 Fe N2 P2 -","- C20 H30 Cl4 Fe N2 P2 -","- C40 H60 Cl8 Fe2 N4 P4 -","2","0.5","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.0621","0.0366","","","0.0645","0.0715","","","","","","1.026","","","","has coordinates","224412","2020-10-21","18:00:00",""
"7049578","9.6569","0.0006","12.0446","0.0008","14.3274","0.0009","104.877","0.003","105.01","0.003","96.568","0.004","1526.17","0.17","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 Cl4 Fe N2 P2 Si2 -","- C22 H38 Cl4 Fe N2 P2 Si2 -","- C44 H76 Cl8 Fe2 N4 P4 Si4 -","2","1","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.0348","0.0267","","","0.0656","0.0712","","","","","","1.054","","","","has coordinates","224412","2020-10-21","18:00:00",""
"7049579","15.6619","0.0011","9.3742","0.0006","18.7966","0.0013","90","","108.622","0.002","90","","2615.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Fe N3 P -","- C26 H44 Fe N3 P -","- C104 H176 Fe4 N12 P4 -","4","1","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.0379","0.0282","","","0.067","0.0729","","","","","","1.081","","","","has coordinates","224412","2020-10-21","18:00:00",""
"7049580","15.3428","0.0007","17.1185","0.0009","18.4549","0.001","90","","93.314","0.003","90","","4839","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H74 Fe2 N4 P4 -","- C46 H74 Fe2 N4 P4 -","- C184 H296 Fe8 N16 P16 -","4","0.5","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.0848","0.0417","","","0.0741","0.0868","","","","","","1.006","","","","has coordinates,has disorder","224412","2020-10-21","18:00:00",""
"7049581","11.1876","0.0011","12.1286","0.0014","16.999","0.002","78.891","0.004","71.357","0.004","73.99","0.004","2086.9","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H32 B2 N4 Ru S8 -","- C42 H32 B2 N4 Ru S8 -","- C84 H64 B4 N8 Ru2 S16 -","2","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","x-ray","0.71073","MoKα","","0.1102","0.0811","","","0.1828","0.2037","","","","","","1.114","","","","has coordinates","224449","2020-10-21","18:00:00",""
"7049582","40.711","0.002","10.3815","0.0005","38.999","0.003","90","","102.745","0.002","90","","16076.5","1.7","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C63 H56 B4 Cl6 N8 O6 P2 Ru2 S16 -","- C63 H56 B4 Cl5.5875 N8 O6 P2 Ru2 S16 -","- C504 H448 B32 Cl44.7 N64 O48 P16 Ru16 S128 -","8","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","","0.71073","MoKα","","0.1649","0.0671","","","0.1397","0.1875","","","","","","0.988","","","","has coordinates","224449","2020-10-21","18:00:00",""
"7049583","15.6837","0.0017","17.7045","0.0018","16.1046","0.0017","90","","112.312","0.004","90","","4137","0.8","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 B N3 O3 P Ru S6 -","- C39 H29 B N3 O3 P Ru S6 -","- C156 H116 B4 N12 O12 P4 Ru4 S24 -","4","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","x-ray","0.71073","MoKα","","0.1072","0.0939","","","0.2444","0.2577","","","","","","1.108","","","","has coordinates","224449","2020-10-21","18:00:00",""
"7049584","10.3316","0.0008","19.1974","0.0015","20.2644","0.0017","70.467","0.003","83.562","0.003","81.359","0.003","3736.7","0.5","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C30 H23 B Cl2 N4 O2 P Ru S8 -","- C30 H24 B Cl2 N4 O2 P Ru S8 -","- C120 H96 B4 Cl8 N16 O8 P4 Ru4 S32 -","4","2","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","x-ray","0.71073","MoKα","","0.0596","0.0462","","","0.1092","0.1174","","","","","","1.075","","","","has coordinates","224449","2020-10-21","18:00:00",""
"7049585","11.5518","0.0009","13.581","0.0012","15.0366","0.0014","107.628","0.003","99.476","0.003","98.85","0.003","2164.9","0.3","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C44 H44 B N3 P2 Ru S6 -","- C44 H44 B N3 P2 Ru S6 -","- C88 H88 B2 N6 P4 Ru2 S12 -","2","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","x-ray","0.71073","MoKα","","0.0433","0.0299","","","0.0602","0.0647","","","","","","1.022","","","","has coordinates,has disorder","224449","2020-10-21","18:00:00",""
"7049586","12.5101","0.0008","28.6346","0.0017","11.2355","0.0008","90","","90","","90","","4024.8","0.5","150","2","150","2","","","","","","","synthesis as described","9","P 21 21 2","P 2 2ab","18","","","","- C32 H31 B2 Cl2 N4 O3 P Ru S8 -","- C32 H31 B2 Cl2 N4 O3 P Ru S8 -","- C128 H124 B8 Cl8 N16 O12 P4 Ru4 S32 -","4","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","x-ray","0.71073","MoKα","","0.0526","0.0438","","","0.0868","0.0906","","","","","","1.06","","","","has coordinates","224449","2020-10-21","18:00:00",""
"7049587","12.4288","0.0013","19.548","0.002","20.62","0.002","90","","107.085","0.003","90","","4788.7","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H35 B2 N4 O3 P Ru S8 -","- C46 H35 B2 N4 O3 P Ru S8 -","- C184 H140 B8 N16 O12 P4 Ru4 S32 -","4","1","","Zafar, Mohammad; Ramalakshmi, Rongala; Rongala, Ramalakshmi; Pradhan, Alaka Nanda; Pathak, Kriti; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Mercapto-benzothiazolyl based ruthenium(ii) borate complexes: synthesis and reactivity towards various phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7413","7424","10.1039/c9dt00498j","","","0.71073","MoKα","","0.1339","0.0451","","","0.0825","0.1221","","","","","","1.119","","","","has coordinates,has disorder","224449","2020-10-21","18:00:00",""
"7049588","16.786","0.003","9.1802","0.0005","19.895","0.002","90","","111.372","0.019","90","","2855","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N2 O7 P W -","- C30 H21 N2 O7 P W -","- C120 H84 N8 O28 P4 W4 -","4","1","","Xu, Yang; Wang, Min; Wei, Donghui; Tian, Rongqiang; Duan, Zheng; Mathey, François","An approach to 7-aza-1-phosphanorbornane complexes: strain promoted rearrangement of 1-iminylphosphirane complexes and cycloaddition with olefins.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5523","5526","10.1039/c9dt00838a","","x-ray","0.71073","MoKα","","0.0645","0.0451","","","0.0912","0.0992","","","","","","1.125","","","","has coordinates","224092","2020-10-21","18:00:00",""
"7049589","11.9819","0.00018","10.06167","0.00017","22.0504","0.0004","90","","92.642","0.0015","90","","2655.52","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Au Cl3 N2 O2 P -","- C26 H23 Au Cl3 N2 O2 P -","- C104 H92 Au4 Cl12 N8 O8 P4 -","4","1","","Xu, Yang; Wang, Min; Wei, Donghui; Tian, Rongqiang; Duan, Zheng; Mathey, François","An approach to 7-aza-1-phosphanorbornane complexes: strain promoted rearrangement of 1-iminylphosphirane complexes and cycloaddition with olefins.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5523","5526","10.1039/c9dt00838a","","x-ray","1.54184","CuKα","","0.0476","0.0383","","","0.095","0.1032","","","","","","1.044","","","","has coordinates","224092","2020-10-21","18:00:00",""
"7049590","10.9036","0.0003","19.9413","0.0005","12.7372","0.0004","90","","107.901","0.003","90","","2635.4","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N O7 P W -","- C25 H22 N O7 P W -","- C100 H88 N4 O28 P4 W4 -","4","1","","Xu, Yang; Wang, Min; Wei, Donghui; Tian, Rongqiang; Duan, Zheng; Mathey, François","An approach to 7-aza-1-phosphanorbornane complexes: strain promoted rearrangement of 1-iminylphosphirane complexes and cycloaddition with olefins.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5523","5526","10.1039/c9dt00838a","","x-ray","0.71073","MoKα","","0.0617","0.0383","","","0.0646","0.0735","","","","","","1.023","","","","has coordinates,has disorder","224092","2020-10-21","18:00:00",""
"7049591","20.6471","0.0006","11.903","0.0003","11.9069","0.0004","90","","92.994","0.003","90","","2922.27","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N2 O7 P W -","- C30 H21 N2 O7 P W -","- C120 H84 N8 O28 P4 W4 -","4","1","","Xu, Yang; Wang, Min; Wei, Donghui; Tian, Rongqiang; Duan, Zheng; Mathey, François","An approach to 7-aza-1-phosphanorbornane complexes: strain promoted rearrangement of 1-iminylphosphirane complexes and cycloaddition with olefins.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5523","5526","10.1039/c9dt00838a","","x-ray","0.71073","MoKα","","0.0535","0.0357","","","0.052","0.0584","","","","","","1.018","","","","has coordinates","224092","2020-10-21","18:00:00",""
"7049592","12.9503","0.0006","26.2419","0.0012","11.7165","0.0005","90","","94.296","0.001","90","","3970.6","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H78 Dy4 N6 O22 -","- C82 H78 Dy4 N6 O22 -","- C164 H156 Dy8 N12 O44 -","2","0.5","","Zhang, Kun; Li, Gao-Peng; Zhang, Cheng; Wang, Yao-Yu","Dramatic impact of auxiliary ligands on the two-step magnetic relaxation process in Dy<sub>4</sub>(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5793","5799","10.1039/c9dt01076a","","","0.71073","MoKα","","0.0663","0.0485","","","0.1024","0.1133","","","","","","1.085","","","","has coordinates,has disorder","224108","2020-10-21","18:00:00",""
"7049593","13.12","0.008","25.34","0.017","12.262","0.008","90","","100.908","0.011","90","","4003","4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H77 Dy4 N7 O21 -","- C79 H77 Dy4 N7 O21 -","- C158 H154 Dy8 N14 O42 -","2","0.5","","Zhang, Kun; Li, Gao-Peng; Zhang, Cheng; Wang, Yao-Yu","Dramatic impact of auxiliary ligands on the two-step magnetic relaxation process in Dy<sub>4</sub>(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5793","5799","10.1039/c9dt01076a","","","0.71073","MoKα","","0.0848","0.0581","","","0.1451","0.1624","","","","","","1.123","","","","has coordinates,has disorder","224108","2020-10-21","18:00:00",""
"7049594","10.8264","0.0003","10.8264","0.0003","52.532","0.002","90","","90","","120","","5332.4","0.3","100","2","100","2","","","","","","","","8","P 65","P 65","170","","","","- C29 H34 Cl2 F6 Fe N6 O6 S2 -","- C29 H34 Cl2 F6 Fe N6 O6 S2 -","- C174 H204 Cl12 F36 Fe6 N36 O36 S12 -","6","1","","Mitra, Mainak; Cusso, Olaf; Bhat, Satish S.; Sun, Mingzhe; Cianfanelli, Marco; Costas, Miquel; Nordlander, Ebbe","Highly enantioselective epoxidation of olefins by H<sub>2</sub>O<sub>2</sub> catalyzed by a non-heme Fe(ii) catalyst of a chiral tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6123","6131","10.1039/c8dt04449j","","","0.71073","MoKα","","0.0632","0.0592","","","0.1622","0.1668","","","","","","1.053","","","","has coordinates","224409","2020-10-21","18:00:00",""
"7049595","8.621","0.002","10.492","0.002","13.35","0.003","68.82","0.003","81.784","0.004","78.211","0.004","1099","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 Al2 N4 O6 -","- C48 H62 Al2 N4 O6 -","- C48 H62 Al2 N4 O6 -","1","0.5","","González-Gallardo, Sandra; Jancik, Vojtech; Díaz-Gómez, Dalia G; Cortés-Guzmán, Fernando; Hernández-Balderas, Uvaldo; Moya-Cabrera, Mónica","Reactivity patterns for the activation of CO<sub>2</sub> and CS<sub>2</sub> with alumoxane and aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5595","5603","10.1039/c9dt00515c","","","0.71073","MoKα","","0.0802","0.0574","","","0.1408","0.1527","","","","","","1.038","","","","has coordinates","224109","2020-10-21","18:00:00",""
"7049596","8.57","0.001","9.899","0.002","13.425","0.002","71.329","0.002","80.812","0.002","77.725","0.002","1049.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Al2 N4 O S -","- C46 H58 Al2 N4 O S -","- C46 H58 Al2 N4 O S -","1","0.5","","González-Gallardo, Sandra; Jancik, Vojtech; Díaz-Gómez, Dalia G; Cortés-Guzmán, Fernando; Hernández-Balderas, Uvaldo; Moya-Cabrera, Mónica","Reactivity patterns for the activation of CO<sub>2</sub> and CS<sub>2</sub> with alumoxane and aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5595","5603","10.1039/c9dt00515c","","","0.71073","MoKα","","0.0568","0.0516","","","0.1179","0.1208","","","","","","1.134","","","","has coordinates,has disorder","224109","2020-10-21","18:00:00",""
"7049597","8.755","0.0006","9.9863","0.0007","13.3508","0.0009","70.1027","0.001","83.2915","0.0011","79.9565","0.0011","1078.68","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.78 H61.78 Al2 N4 O3.67 -","- C47.778 H61.7776 Al1.9996 N4 O3.6668 -","- C47.778 H61.7776 Al1.9996 N4 O3.6668 -","1","0.5","","González-Gallardo, Sandra; Jancik, Vojtech; Díaz-Gómez, Dalia G; Cortés-Guzmán, Fernando; Hernández-Balderas, Uvaldo; Moya-Cabrera, Mónica","Reactivity patterns for the activation of CO<sub>2</sub> and CS<sub>2</sub> with alumoxane and aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5595","5603","10.1039/c9dt00515c","","","0.71073","MoKα","","0.0475","0.0428","","","0.1111","0.115","","","","","","1.034","","","","has coordinates,has disorder","224109","2020-10-21","18:00:00",""
"7049598","8.5925","0.0008","9.985","0.0009","13.4354","0.0012","70.9073","0.0013","81.4316","0.0013","78.6853","0.0013","1063.64","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 Al2 N4 O0.16 S1.84 -","- C46 H58 Al2 N4 O0.156 S1.844 -","- C46 H58 Al2 N4 O0.156 S1.844 -","1","0.5","","González-Gallardo, Sandra; Jancik, Vojtech; Díaz-Gómez, Dalia G; Cortés-Guzmán, Fernando; Hernández-Balderas, Uvaldo; Moya-Cabrera, Mónica","Reactivity patterns for the activation of CO<sub>2</sub> and CS<sub>2</sub> with alumoxane and aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5595","5603","10.1039/c9dt00515c","","","0.71073","MoKα","","0.0576","0.0465","","","0.1173","0.125","","","","","","1.048","","","","has coordinates,has disorder","224109","2020-10-21","18:00:00",""
"7049599","10.5036","0.0005","12.3151","0.0007","16.8096","0.0009","102.213","0.001","98.179","0.001","96.305","0.001","2081.43","0.19","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H32 F4 Ir N3 P2 S2 -","- C46 H32 F4 Ir N3 P2 S2 -","- C92 H64 F8 Ir2 N6 P4 S4 -","2","1","","Zhang, Lin; Yan, Zhi-Ping; Zheng, You-Xuan","Efficient sky-blue OLEDs with extremely low efficiency roll-off based on stable iridium complexes with a bis(diphenylphorothioyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9744","9750","10.1039/c9dt00298g","","","0.71073","MoKα","","0.0342","0.0307","","","0.0891","0.0921","","","","","","1.072","","","","has coordinates","224065","2020-10-21","18:00:00",""
"7049600","44.788","0.003","15.7609","0.0012","26.088","0.002","90","","103.012","0.002","90","","17943","2","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 F4 Ir N5 O0 P2 S2 -","- C44 H30 F4 Ir N5 P2 S2 -","- C704 H480 F64 Ir16 N80 P32 S32 -","16","2","","Zhang, Lin; Yan, Zhi-Ping; Zheng, You-Xuan","Efficient sky-blue OLEDs with extremely low efficiency roll-off based on stable iridium complexes with a bis(diphenylphorothioyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9744","9750","10.1039/c9dt00298g","","","0.71073","MoKα","","0.0718","0.0401","","","0.0878","0.0974","","","","","","1.045","","","","has coordinates","224065","2020-10-21","18:00:00",""
"7049601","12.413","0.003","17.24","0.005","14.457","0.004","90","","109.918","0.008","90","","2908.7","1.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","PdBTBT","PdBTBT","","- C33 H31.5 N2.5 O2 Pd S2 -","- C33 H31.5 N2.5 O2 Pd S2 -","- C132 H126 N10 O8 Pd4 S8 -","4","1","","Tahara, Keishiro; Ashihara, Yuya; Higashino, Toshiki; Ozawa, Yoshiki; Kadoya, Tomofumi; Sugimoto, Kunihisa; Ueda, Akira; Mori, Hatsumi; Abe, Masaaki","New π-extended catecholato complexes of Pt(ii) and Pd(ii) containing a benzothienobenzothiophene (BTBT) moiety: synthesis, electrochemical behavior and charge transfer properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7367","7377","10.1039/c8dt05057k","","x-ray","0.3009","synchrotron","","0.0506","0.0341","","","0.0724","0.0759","","","","","","0.997","","","","has coordinates,has disorder","224455","2020-10-21","18:00:00",""
"7049602","12.077","0.005","13.443","0.005","14.103","0.005","62.358","0.005","74.156","0.005","72.733","0.005","1912","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H92 Fe2 N14 O14 -","- C86 H92 Fe2 N14 O14 -","- C86 H92 Fe2 N14 O14 -","1","0.5","","Khan, Firoz Shah Tuglak; Shah, Syed Jehanger; Bhowmik, Susovan; Reinhard, Fabián G Cantú; Sainna, Mala A.; de Visser, Sam P.; Rath, Sankar Prasad","Equatorial ligand plane perturbations lead to a spin-state change in an iron(iii) porphyrin dimer.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6353","6357","10.1039/c9dt01182j","","","0.71069","MoKα","","0.1112","0.0664","","","0.1553","0.177","","","","","","1.039","","","","has coordinates","224186","2020-10-21","18:00:00",""
"7049603","10.8619","0.0012","13.5788","0.0015","15.2373","0.0018","64.626","0.002","78.507","0.002","71.06","0.002","1915.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H100 Cl2 Fe2 N8 O8 -","- C86 H100 Cl2 Fe2 N8 O8 -","- C86 H100 Cl2 Fe2 N8 O8 -","1","0.5","","Khan, Firoz Shah Tuglak; Shah, Syed Jehanger; Bhowmik, Susovan; Reinhard, Fabián G Cantú; Sainna, Mala A.; de Visser, Sam P.; Rath, Sankar Prasad","Equatorial ligand plane perturbations lead to a spin-state change in an iron(iii) porphyrin dimer.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6353","6357","10.1039/c9dt01182j","","","0.71073","MoKα","","0.1106","0.0691","","","0.1562","0.1998","","","","","","1.027","","","","has coordinates","224186","2020-10-21","18:00:00",""
"7049604","21.863","0.003","21.863","0.003","58.231","0.008","90","","90","","90","","27834","7","125","2","125","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C66 H53 Cl12 Co3 K3 N6 O13 -","- C66 H53 Cl12 Co3 K3 N6 O13 -","- C528 H424 Cl96 Co24 K24 N48 O104 -","8","1","","Ambrose, Kenson; Robertson, Katherine N.; Kozak, Christopher M.","Cobalt amino-bis(phenolate) complexes for coupling and copolymerization of epoxides with carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6248","6260","10.1039/c9dt00996e","","","0.71073","MoKα","","0.125","0.0695","","","0.1689","0.1974","","","","","","1.032","","","","has coordinates","224406","2020-10-21","18:00:00",""
"7049605","11.7395","0.0016","13.1332","0.0017","13.299","0.0018","77.736","0.006","75.262","0.005","78.565","0.006","1915","0.4","158","","158","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H47 Cl2 Co N4 O7 -","- C35 H47 Cl2 Co N4 O7 -","- C70 H94 Cl4 Co2 N8 O14 -","2","1","","Ambrose, Kenson; Robertson, Katherine N.; Kozak, Christopher M.","Cobalt amino-bis(phenolate) complexes for coupling and copolymerization of epoxides with carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6248","6260","10.1039/c9dt00996e","","","0.71075","MoKα","","0.0943","0.0738","","","0.2069","0.2454","","","","","","1.15","","","","has coordinates,has disorder","224406","2020-10-21","18:00:00",""
"7049606","9.5023","0.0004","9.5077","0.0005","10.6017","0.0006","68.918","0.002","66.791","0.002","86.57","0.002","817.62","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N O8 Zn -","- C16 H16 N O8 Zn -","- C32 H32 N2 O16 Zn2 -","2","1","","Li, Xiao-Nan; Li, Li; Wang, Hai-Yu; Fu, Chen; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","A novel photochromic metal-organic framework with good anion and amine sensing.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6558","6563","10.1039/c8dt05032e","","","0.71073","MoKα","","0.0396","0.0288","","","0.0831","0.108","","","","","","1.279","","","","has coordinates","224172","2020-10-21","18:00:00",""
"7049607","15.7509","0.0008","13.481","0.0007","13.52","0.0007","90","","96.971","0.001","90","","2849.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 La2 O2 -","- C32 H40 La2 O2 -","- C128 H160 La8 O8 -","4","1","","Greenough, Joshua; Zhou, Zheng; Wei, Zheng; Petrukhina, Marina A.","Versatility of cyclooctatetraenyl ligands in rare earth metal complexes of the [M<sub>2</sub>(COT)<sub>3</sub>(THF)<sub>2</sub>] (M = Y and La) type.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5614","5620","10.1039/c9dt00868c","","","0.71073","MoKα","","0.031","0.024","","","0.0454","0.0475","","","","","","1.111","","","","has coordinates,has disorder","224099","2020-10-21","18:00:00",""
"7049608","15.6822","0.0006","13.3019","0.0005","13.5299","0.0005","90","","95.547","0.001","90","","2809.16","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 O2 Y2 -","- C32 H40 O2 Y2 -","- C128 H160 O8 Y8 -","4","1","","Greenough, Joshua; Zhou, Zheng; Wei, Zheng; Petrukhina, Marina A.","Versatility of cyclooctatetraenyl ligands in rare earth metal complexes of the [M<sub>2</sub>(COT)<sub>3</sub>(THF)<sub>2</sub>] (M = Y and La) type.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5614","5620","10.1039/c9dt00868c","","","0.71073","MoKα","","0.075","0.0617","","","0.1589","0.1659","","","","","","1.148","","","","has coordinates,has disorder","224099","2020-10-21","18:00:00",""
"7049609","14.63","0.004","15.523","0.004","24.015","0.007","90","","98.701","0.009","90","","5391","3","127","2","127.56","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H55 Cu F6 N7 O10 S2 -","- C53 H52 Cu F6 N6 O10 S2 -","- C212 H208 Cu4 F24 N24 O40 S8 -","4","2","","Bej, Somnath; Nandi, Mandira; Ghosh, Tamal Kanti; Ghosh, Pradyut","Cu(ii) templated formation of [n]pseudorotaxanes (n = 2, 3, 4) using a tris-amino ether macrocyclic wheel and multidentate axles.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6853","6862","10.1039/c9dt01067j","","","0.71073","MoKα","","0.0851","0.0688","","","0.1748","0.1909","","","","","","1.02","","","","has coordinates,has disorder","224220","2020-10-21","18:00:00",""
"7049610","15.0677","0.0003","11.9199","0.0002","16.282","0.0004","90","","91.4","0.002","90","","2923.46","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 B2 Mg2 N4 O6 -","- C58 H82 B2 Mg2 N4 O6 -","- C116 H164 B4 Mg4 N8 O12 -","2","0.5","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.0759","0.0664","","","0.1847","0.1958","","","","","","1.063","","","","has coordinates,has disorder","224111","2020-10-21","18:00:00",""
"7049611","18.7772","0.0002","13.7778","0.0001","20.961","0.0002","90","","90","","90","","5422.79","0.09","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H74 B2 Mg2 N4 O6 -","- C54 H74 B2 Mg2 N4 O6 -","- C216 H296 B8 Mg8 N16 O24 -","4","0.5","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.0503","0.0484","","","0.1353","0.1368","","","","","","1.101","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049612","11.4535","0.0007","15.0953","0.0008","16.8124","0.001","78.411","0.005","74.116","0.005","73.622","0.005","2658.1","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 B2 Mg2 N4 O4 -","- C54 H76 B2 Mg2 N4 O4 -","- C108 H152 B4 Mg4 N8 O8 -","2","1","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.1405","0.1136","","","0.2626","0.2763","","","","","","1.129","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049613","11.9366","0.0002","14.502","0.0002","18.095","0.0003","74.584","0.001","84.627","0.001","76.951","0.001","2939.77","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H92 B2 Mg2 N4 O4 -","- C60 H92 B2 Mg2 N4 O4 -","- C120 H184 B4 Mg4 N8 O8 -","2","1","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.048","0.0425","","","0.1129","0.1163","","","","","","1.028","","","","has coordinates,has disorder","224111","2020-10-21","18:00:00",""
"7049614","10.0542","0.0001","19.5195","0.0001","28.2699","0.0002","84.501","0.001","81.422","0.001","85.553","0.001","5449.46","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H56.67 B2 Mg N2 O4 -","- C35 H56.6667 B2 Mg N2 O4 -","- C210 H340 B12 Mg6 N12 O24 -","6","3","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.0683","0.0567","","","0.1544","0.1636","","","","","","1.026","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049615","16.8368","0.0002","13.1697","0.0002","28.49","0.0002","90","","102.476","0.001","90","","6168.08","0.13","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H93 B2 Mg2 N4 O4 -","- C61 H93 B2 Mg2 N4 O4 -","- C244 H372 B8 Mg8 N16 O16 -","4","1","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.065","0.0557","","","0.1506","0.1574","","","","","","1.049","","","","has coordinates,has disorder","224111","2020-10-21","18:00:00",""
"7049616","19.8525","0.0009","17.9603","0.0009","20.4433","0.001","90","","90","","90","","7289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H57 B Mg N2 O4 -","- C37 H57 B Mg N2 O4 -","- C296 H456 B8 Mg8 N16 O32 -","8","1","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.1362","0.1017","","","0.3075","0.3304","","","","","","1.107","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049617","13.8511","0.0003","14.1433","0.0003","27.5193","0.0004","83.1","0.001","82.286","0.001","84.312","0.002","5284.66","0.18","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 B2 Mg2 N4 O5 -","- C54 H76 B2 Mg2 N4 O5 -","- C216 H304 B8 Mg8 N16 O20 -","4","2","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.1097","0.0738","","","0.1914","0.2125","","","","","","1.031","","","","has coordinates,has disorder","224111","2020-10-21","18:00:00",""
"7049618","29.445","0.006","70.806","0.014","9.946","0.002","90","","90","","90","","20736","7","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C35 H53 B Mg N2 O4 -","- C35 H53 B Mg N2 O4 -","- C840 H1272 B24 Mg24 N48 O96 -","24","1.5","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","0.71073","MoKα","","0.0346","0.0322","","","0.0822","0.0837","","","","","","1.06","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049619","12.2184","0.0008","7.5854","0.0005","15.627","0.001","90","","90","","90","","1448.33","0.16","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H21 K N2 O -","- C13 H21 K N2 O -","- C52 H84 K4 N8 O4 -","4","0.5","","Guo, Zhiqiang; Xu, Yuan; Wu, Xiaoqin; Wei, Xuehong; Xi, Chanjuan","Potassium complexes containing bidentate pyrrole ligands: synthesis, structures, and catalytic activity for the cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8116","8121","10.1039/c9dt01246j","","","0.71073","MoKα","","0.0863","0.0654","","","0.1585","0.172","","","","","","1.054","","","","has coordinates","224428","2020-10-21","18:00:00",""
"7049620","17.8883","0.0019","22.588","0.002","10.5492","0.0011","90","","90","","90","","4262.5","0.7","200","2","200","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 K2 N4 -","- C18 H30 K2 N4 -","- C144 H240 K16 N32 -","8","1","","Guo, Zhiqiang; Xu, Yuan; Wu, Xiaoqin; Wei, Xuehong; Xi, Chanjuan","Potassium complexes containing bidentate pyrrole ligands: synthesis, structures, and catalytic activity for the cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8116","8121","10.1039/c9dt01246j","","","0.71073","MoKα","","0.0853","0.0657","","","0.187","0.2036","","","","","","1.037","","","","has coordinates","224428","2020-10-21","18:00:00",""
"7049621","37.542","0.003","7.6994","0.0007","7.7667","0.0007","90","","90.332","0.001","90","","2244.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cu O6 P -","- C11 H9 Cu O6 P -","- C88 H72 Cu8 O48 P8 -","8","1","","Liu, Bei; Liu, Jing-Cui; Shen, Yang; Feng, Jian-Shen; Bao, Song-Song; Zheng, Li-Min","Polymorphic layered copper phosphonates: exfoliation and proton conductivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6539","6545","10.1039/c9dt00970a","","","0.71073","MoKα","","0.0587","0.054","","","0.1294","0.1315","","","","","","1.096","","","","has coordinates,has disorder","224176","2020-10-21","18:00:00",""
"7049622","42.026","0.017","7.671","0.003","7.729","0.003","90","","93.147","0.007","90","","2487.9","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu2 O13 P2 -","- C22 H18 Cu2 O13 P2 -","- C88 H72 Cu8 O52 P8 -","4","0.5","","Liu, Bei; Liu, Jing-Cui; Shen, Yang; Feng, Jian-Shen; Bao, Song-Song; Zheng, Li-Min","Polymorphic layered copper phosphonates: exfoliation and proton conductivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6539","6545","10.1039/c9dt00970a","","","0.71073","MoKα","","0.0795","0.0666","","","0.1833","0.1974","","","","","","1.003","","","","has coordinates,has disorder","224176","2020-10-21","18:00:00",""
"7049623","5.1011","0.0006","6.047","0.0007","18.034","0.002","84.761","0.008","87.211","0.008","74.855","0.007","534.54","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cu O6 P -","- C11 H9 Cu O6 P -","- C22 H18 Cu2 O12 P2 -","2","1","","Liu, Bei; Liu, Jing-Cui; Shen, Yang; Feng, Jian-Shen; Bao, Song-Song; Zheng, Li-Min","Polymorphic layered copper phosphonates: exfoliation and proton conductivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6539","6545","10.1039/c9dt00970a","","","1.34139","GaKα","","0.1092","0.0635","","","0.1254","0.1419","","","","","","1.001","","","","has coordinates","224176","2020-10-21","18:00:00",""
"7049624","19.64","0.002","22.99","0.003","29.085","0.003","90","","90","","90","","13133","3","296","2","296.15","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C28 H20 N4 O19 Zn3 -","- C28 H20 N4 O19 Zn3 -","- C448 H320 N64 O304 Zn48 -","16","","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.067","0.054","","","0.1411","0.1523","","","","","","1.05","","","","has coordinates","214590","2020-10-21","18:00:00",""
"7049625","9.3811","0.0008","18.3474","0.0017","13.1915","0.0012","90","","105.062","0.0013","90","","2192.5","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Ba2 N2 O15 -","- C14 H16 Ba2 N2 O15 -","- C56 H64 Ba8 N8 O60 -","4","1","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.0286","0.0238","","","0.0547","0.0569","","","","","","1.018","","","","has coordinates,has disorder","214590","2020-10-21","18:00:00",""
"7049626","10.88","0.009","12.209","0.009","14.708","0.012","90","","107.306","0.011","90","","1865","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cd3 Cl2 N4 O20 -","- C28 H24 Cd3 Cl2 N4 O20 -","- C56 H48 Cd6 Cl4 N8 O40 -","2","0.5","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.0301","0.0293","","","0.075","0.0756","","","","","","1.08","","","","has coordinates","214590","2020-10-21","18:00:00",""
"7049627","15.339","0.003","30.839","0.007","32.07","0.007","90","","90","","90","","15170","6","296","2","296","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C448 H320 Cu64 N64 O320 -","- C448 H320 Cu64 N64 O320 -","- C448 H320 Cu64 N64 O320 -","1","","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.0529","0.0431","","","0.1064","0.1119","","","","","","1.022","","","","has coordinates","214590","2020-10-21","18:00:00",""
"7049628","12.9214","0.0015","10.4575","0.0012","14.1666","0.0016","90","","93.894","0.002","90","","1909.9","0.4","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H26 Ba4 N4 O23 -","- C28 H26 Ba4 N4 O23 -","- C56 H52 Ba8 N8 O46 -","2","0.5","","Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei","Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00933G","","","0.71073","MoKα","","0.0251","0.0234","","","0.0696","0.0708","","","","","","1.112","","","","has coordinates","214590","2020-10-21","18:00:00",""
"7049629","19.12","0.004","21.609","0.004","21.015","0.004","90","","116.91","0.03","90","","7742","3","153","2","153.15","","","","","","","","none","6","P 1 21 1","P 2yb","4","(S)-1-3MeCN-153K","(S)-1-3MeCN-153K","","- C156 H141 Cl6 Fe3 N27 O36 -","- C156 H141 Cl6 Fe3 N27 O36 -","- C312 H282 Cl12 Fe6 N54 O72 -","2","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.0724","0.0655","","","0.1753","0.1825","","","","","","1.053","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049630","12.727","0.003","12.812","0.003","47.027","0.009","90","","90","","90","","7668","3","153","0.2","153","0.2","","","","","","","none","6","P 21 21 21","P 2ac 2ab","19","S-2-MeNO2-153K","S-2-MeNO2-153K","","- C95 H81 B2 Fe N7 O6 -","- C95 H81 B2 Fe N7 O6 -","- C380 H324 B8 Fe4 N28 O24 -","4","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.117","0.0914","","","0.1426","0.1589","","","","","","1.144","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049631","22.871","0.005","14.773","0.003","27.221","0.005","90","","113.17","0.03","90","","8455","4","153","2","153.15","","","","","","","","No","6","C 1 2/c 1","-C 2yc","15","rac-2-MeNO2-153K","rac-2-MeNO2-153K","","- C98 H90 B2 Fe N10 O12 -","- C98 H90 B2 Fe N10 O12 -","- C392 H360 B8 Fe4 N40 O48 -","4","0.5","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.067","0.0615","","","0.1355","0.1391","","","","","","1.138","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049632","20.66","0.004","21.568","0.004","22.524","0.005","90","","90","","90","","10037","3","153","0.2","153.15","","","","","","","","none","6","P b c a","-P 2ac 2ab","61","rac-1-3MeCN-153K","rac-1-3MeCN-153K","","- C52 H47 Cl2 Fe N9 O12 -","- C52 H47 Cl2 Fe N9 O12 -","- C416 H376 Cl16 Fe8 N72 O96 -","8","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.0869","0.0793","","","0.1733","0.1776","","","","","","1.212","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049633","19.051","0.004","21.637","0.004","25.014","0.005","90","","90","","90","","10311","4","173","0.2","173","0.2","","","","","","","No","6","P 21 21 21","P 2ac 2ab","19","(S)-1-3MeCN-173K","S-1-3MeCN-173K","","- C104 H94 Cl4 Fe2 N18 O24 -","- C104 H94 Cl4 Fe2 N18 O24 -","- C416 H376 Cl16 Fe8 N72 O96 -","4","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.066","0.0613","","","0.1542","0.158","","","","","","1.114","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049634","13.388","0.003","13.558","0.003","26.002","0.005","78.99","0.03","76.08","0.03","65.62","0.03","4150.1","1.9","153","2","153.15","","","","","","","","No","6","P -1","-P 1","2","rac-2-MeCN-153K","rac-2-MeCN-153K","","- C100 H87 B2 Fe N9 O4 -","- C100 H87 B2 Fe N9 O4 -","- C200 H174 B4 Fe2 N18 O8 -","2","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.0752","0.0646","","","0.1468","0.1563","","","","","","1.147","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049635","23.154","0.005","26.161","0.005","26.794","0.005","90","","97.46","0.03","90","","16093","6","153","0.2","153.15","","","","","","","","none","6","P 1 21 1","P 2yb","4","S-2-MeCN-153K","","","- C376 H312 B8 Fe4 N24 O16 -","- C376 H312 B8 Fe4 N24 O16 -","- C752 H624 B16 Fe8 N48 O32 -","2","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.1297","0.1052","","","0.2261","0.2467","","","","","","1.065","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049636","38.0031","0.0011","12.5069","0.0004","19.691","0.0006","90","","92.0785","0.0019","90","","9353","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H47 F6 Ir N6 -","- C57 H47 F6 Ir N6 -","- C456 H376 F48 Ir8 N48 -","8","1","","Zaen, Rena; Kim, Myeongbee; Park, Ki-Min; Lee, Kyung Hyung; Lee, Jun Yeob; Kang, Youngjin","Bipyridine-based iridium(iii) triplet emitters for organic light-emitting diodes (OLEDs): application and impact of phenyl substitution at the 5'-position of the N-coordinating pyridine ring.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9734","9743","10.1039/c9dt00596j","","","0.71073","MoKα","","0.0725","0.0454","","","0.1033","0.1153","","","","","","1.041","","","","has coordinates","224063","2020-10-21","18:00:00",""
"7049637","13.3302","0.0002","21.8273","0.0003","17.6527","0.0002","90","","107.738","0.0007","90","","4892.09","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H51 Ir N6 O6 -","- C57 H51 Ir N6 O6 -","- C228 H204 Ir4 N24 O24 -","4","1","","Zaen, Rena; Kim, Myeongbee; Park, Ki-Min; Lee, Kyung Hyung; Lee, Jun Yeob; Kang, Youngjin","Bipyridine-based iridium(iii) triplet emitters for organic light-emitting diodes (OLEDs): application and impact of phenyl substitution at the 5'-position of the N-coordinating pyridine ring.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9734","9743","10.1039/c9dt00596j","","","0.71073","MoKα","","0.0578","0.0318","","","0.0696","0.0788","","","","","","1.033","","","","has coordinates","224063","2020-10-21","18:00:00",""
"7049638","15.501","","10.255","","30.557","","90","","98.61","","90","","4802.68","","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H100 Al2 Li2 O2 -","- C78 H84 Al2 Li2 O2 -","- C156 H168 Al4 Li4 O4 -","2","0.5","","Palenzuela, Miguel; Muñoz, Mª Teresa; Vega, Juan F.; Gutiérrez-Rodríguez, Ángel; Cuenca, Tomás; Mosquera, Marta E. G.","Heterobimetallic aluminate derivatives with bulky phenoxide ligands: a catalyst for selective vinyl polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6435","6444","10.1039/c9dt00761j","","x-ray","0.71073","MoKα","","0.1501","0.0993","","","0.254","0.2873","","","","","","1.025","","","","has coordinates,has disorder","224173","2020-10-21","18:00:00",""
"7049639","10.356","0.005","31.152","0.015","21.128","0.01","90","","102.94","0.04","90","","6643","6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H80 Al Na O2 -","- C81 H80 Al Na O2 -","- C324 H320 Al4 Na4 O8 -","4","1","","Palenzuela, Miguel; Muñoz, Mª Teresa; Vega, Juan F.; Gutiérrez-Rodríguez, Ángel; Cuenca, Tomás; Mosquera, Marta E. G.","Heterobimetallic aluminate derivatives with bulky phenoxide ligands: a catalyst for selective vinyl polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6435","6444","10.1039/c9dt00761j","","x-ray","0.71073","MoKα","","0.23","0.0757","","","0.13","0.1651","","","","","","0.925","","","","has coordinates","224173","2020-10-21","18:00:00",""
"7049640","14.728","","24.467","","18.957","","90","","99.84","","90","","6730.66","","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H80 Al K O2 -","- C81 H80 Al K O2 -","- C324 H320 Al4 K4 O8 -","4","1","","Palenzuela, Miguel; Muñoz, Mª Teresa; Vega, Juan F.; Gutiérrez-Rodríguez, Ángel; Cuenca, Tomás; Mosquera, Marta E. G.","Heterobimetallic aluminate derivatives with bulky phenoxide ligands: a catalyst for selective vinyl polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6435","6444","10.1039/c9dt00761j","","x-ray","0.71073","MoKα","","0.136","0.0748","","","0.2029","0.2346","","","","","","1.058","","","","has coordinates","224173","2020-10-21","18:00:00",""
"7049641","15.365","0.005","9.989","0.003","29.599","0.011","90","","103.43","0.03","90","","4419","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 Al2 Na2 O2 -","- C78 H84 Al2 Na2 O2 -","- C156 H168 Al4 Na4 O4 -","2","0.5","","Palenzuela, Miguel; Muñoz, Mª Teresa; Vega, Juan F.; Gutiérrez-Rodríguez, Ángel; Cuenca, Tomás; Mosquera, Marta E. G.","Heterobimetallic aluminate derivatives with bulky phenoxide ligands: a catalyst for selective vinyl polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6435","6444","10.1039/c9dt00761j","","x-ray","0.71073","MoKα","","0.1356","0.0871","","","0.2037","0.2334","","","","","","1.032","","","","has coordinates","224173","2020-10-21","18:00:00",""
"7049642","9.9729","0.0005","14.4775","0.0007","6.834","0.0003","90","","95.483","0.004","90","","982.2","0.08","323","2","323","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","1","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0504","0.0489","","","0.1381","0.14","","","","","","1.052","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049643","9.9895","0.0003","14.5119","0.0005","6.8343","0.0002","90","","95.516","0.003","90","","986.16","0.05","353","2","353","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","1","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0462","0.0447","","","0.1279","0.1291","","","","","","1.121","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049644","10.0135","0.0003","14.5453","0.0005","6.8362","0.0002","90","","95.509","0.003","90","","991.09","0.05","383","2","383","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","1","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0365","0.0346","","","0.0936","0.095","","","","","","1.094","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049645","14.9224","0.0015","6.7659","0.0006","10.0562","0.0011","90","","90","","90","","1015.31","0.18","438","2","438","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","0.5","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0906","0.0737","","","0.2155","0.2244","","","","","","1.101","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049646","9.959","0.0003","14.4583","0.0004","6.8309","0.0002","90","","95.416","0.003","90","","979.19","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","1","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0307","0.0279","","","0.0674","0.069","","","","","","1.058","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049647","14.9615","0.0014","6.775","0.0004","10.0904","0.0009","90","","90","","90","","1022.8","0.15","443","2","443","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","0.5","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0592","0.041","","","0.1268","0.1381","","","","","","1.072","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049648","10.0482","0.0005","14.6113","0.0007","6.8335","0.0003","90","","95.511","0.004","90","","998.64","0.08","413","2","413","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cd Cl3 N O -","- C4 H12 Cd Cl3 N O -","- C16 H48 Cd4 Cl12 N4 O4 -","4","1","","Hua, Xiu-Ni; Gao, Ji-Xing; Chen, Xiao-Gang; Li, Peng-Fei; Mei, Guang-Quan; Liao, Wei-Qiang","Ultrahigh phase transition temperature in a metal-halide perovskite-type material containing unprecedented hydrogen bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6621","6626","10.1039/c9dt00945k","","","0.71073","MoKα","","0.0438","0.0414","","","0.1227","0.1248","","","","","","1.076","","","","has coordinates","224181","2020-10-21","18:00:00",""
"7049649","12.674","0.006","17.476","0.009","12.846","0.006","90","","96.1","0.04","90","","2829","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Dy N6 O8 -","- C31 H21 Dy N6 O8 -","- C124 H84 Dy4 N24 O32 -","4","1","","Chen, Zilu; Yu, Shui; Wang, Rongdong; Li, Bo; Yin, Bing; Liu, Dongcheng; Liang, Yuning; Yao, Di; Liang, Fupei","Three Dy(iii) single-ion magnets bearing the tropolone ligand: structure, magnetic properties and theoretical elucidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6627","6637","10.1039/c9dt00364a","","","0.71073","MoKα","","0.0413","0.029","","","0.0599","0.0639","","","","","","1.026","","","","has coordinates","224170","2020-10-21","18:00:00",""
"7049650","10.044","0.004","23.437","0.01","11.989","0.005","90","","104.405","0.005","90","","2733","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 Dy N2 O7 -","- C33 H25 Dy N2 O7 -","- C132 H100 Dy4 N8 O28 -","4","1","","Chen, Zilu; Yu, Shui; Wang, Rongdong; Li, Bo; Yin, Bing; Liu, Dongcheng; Liang, Yuning; Yao, Di; Liang, Fupei","Three Dy(iii) single-ion magnets bearing the tropolone ligand: structure, magnetic properties and theoretical elucidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6627","6637","10.1039/c9dt00364a","","","0.71073","MoKα","","0.0578","0.0364","","","0.0832","0.0913","","","","","","1.061","","","","has coordinates","224170","2020-10-21","18:00:00",""
"7049651","14.3574","0.0002","15.1347","0.0003","16.6249","0.0003","115.844","0.002","101.132","0.002","99.474","0.002","3060.83","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 Dy2 O29 -","- C60 H52 Dy2 O29 -","- C120 H104 Dy4 O58 -","2","1","","Chen, Zilu; Yu, Shui; Wang, Rongdong; Li, Bo; Yin, Bing; Liu, Dongcheng; Liang, Yuning; Yao, Di; Liang, Fupei","Three Dy(iii) single-ion magnets bearing the tropolone ligand: structure, magnetic properties and theoretical elucidation.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6627","6637","10.1039/c9dt00364a","","","0.71073","MoKα","","0.0433","0.035","","","0.0831","0.0896","","","","","","1.075","","","","has coordinates","224170","2020-10-21","18:00:00",""
"7049652","8.4686","0.0003","9.9123","0.0004","21.7475","0.0008","90","","93.972","0.002","90","","1821.17","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N6 Ni O14 S2 U -","- C28 H42 N6 Ni O14 S2 U -","- C56 H84 N12 Ni2 O28 S4 U2 -","2","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0345","0.0267","","","0.0689","0.072","","","","","","1.058","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049653","11.3508","0.0008","13.7624","0.0005","14.1862","0.0009","90","","103.615","0.003","90","","2153.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cu N4 O18 S2 U2 -","- C32 H44 Cu N4 O18 S2 U2 -","- C64 H88 Cu2 N8 O36 S4 U4 -","2","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0378","0.0258","","","0.0647","0.0676","","","","","","1.09","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049654","11.6903","0.0006","11.6969","0.0005","14.5245","0.0008","94.145","0.003","97.373","0.003","107.703","0.003","1863.32","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H92 Cu2 N8 O26 S4 U2 -","- C60 H92 Cu2 N8 O26 S4 U2 -","- C60 H92 Cu2 N8 O26 S4 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0322","0.0263","","","0.0556","0.0568","","","","","","1.052","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049655","16.8351","0.0004","23.7794","0.0012","23.8357","0.0011","70.701","0.002","79.095","0.003","89.039","0.003","8832.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H183 O58 P5 S8 U2 -","- C176 H175 O58 P5 S8 U2 -","- C352 H350 O116 P10 S16 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0847","0.0505","","","0.1078","0.116","","","","","","1.043","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049656","13.711","0.0009","13.9471","0.0006","22.3786","0.0016","105.108","0.004","100.002","0.003","96.077","0.004","4017","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H88 O32 P2 S4 U -","- C76 H78 O32 P2 S4 U -","- C152 H156 O64 P4 S8 U2 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0578","0.0387","","","0.0865","0.0908","","","","","","0.97","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049657","9.8537","0.0002","15.8019","0.0006","20.3332","0.0007","90","","99.894","0.002","90","","3118.94","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N4 Ni O13 S2 U -","- C24 H32 N4 Ni O13 S2 U -","- C96 H128 N16 Ni4 O52 S8 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0301","0.0254","","","0.067","0.0688","","","","","","1.093","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049658","19.555","0.0008","19.7854","0.0007","22.858","0.0008","67.635","0.003","65.121","0.002","60.589","0.002","6817.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H56 O21 P2 S3 U2 -","- C69 H56 O21 P2 S3 U2 -","- C276 H224 O84 P8 S12 U8 -","4","2","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0589","0.0333","","","0.0597","0.0639","","","","","","0.905","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049659","14.9382","0.0009","16.2333","0.0011","20.2169","0.0014","74.324","0.003","68.424","0.003","64.208","0.003","4069.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H252 Cu5 N20 O49 S8 -","- C136 H252 Cu5 N20 O49 S8 -","- C136 H252 Cu5 N20 O49 S8 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0648","0.0391","","","0.09","0.0971","","","","","","0.999","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049660","10.6905","0.0005","14.6528","0.0006","9.9092","0.0003","90","","91.272","0.003","90","","1551.85","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N4 Ni O14 S2 U -","- C24 H36 N4 Ni O14 S2 U -","- C48 H72 N8 Ni2 O28 S4 U2 -","2","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0275","0.02","","","0.0503","0.0525","","","","","","1.038","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049661","18.3929","0.0003","25.4078","0.0006","20.6753","0.0005","90","","93.6933","0.0014","90","","9642","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H103 O30 P3 S4 U -","- C100 H103 O30 P3 S4 U -","- C400 H412 O120 P12 S16 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8756","8772","10.1039/c9dt01024f","","","0.71073","MoKα","","0.0499","0.0386","","","0.0915","0.0955","","","","","","1.041","","","","has coordinates","223784","2020-10-21","18:00:00",""
"7049662","13.9152","0.0003","20.666","0.0004","6.4314","0.0001","90","","90","","90","","1849.49","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H8 F2 Mo O8 P2 -","- C16 H8 F2 Mo O8 P2 -","- C64 H32 F8 Mo4 O32 P8 -","4","0.5","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0232","0.0205","","","0.0466","0.0478","","","","","","1.109","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7049663","17.5271","0.0006","7.6758","0.0003","21.0653","0.0007","90","","111.373","0.002","90","","2639.11","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F2 Mo O8 P2 -","- C28 H16 F2 Mo O8 P2 -","- C112 H64 F8 Mo4 O32 P8 -","4","1","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0249","0.0211","","","0.0529","0.0546","","","","","","1.028","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7049664","43.6028","0.0006","9.9809","0.0002","10.5817","0.0001","90","","90","","90","","4605.1","0.12","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H12 F2 Mo O8 P2 -","- C24 H12 F2 Mo O8 P2 -","- C192 H96 F16 Mo8 O64 P16 -","8","0.5","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0148","0.0145","","","0.0375","0.0376","","","","","","1.112","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7049665","9.0915","0.0003","12.3578","0.0005","13.8479","0.0005","104.24","0.002","98.951","0.003","100.618","0.003","1448.86","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 F2 Mo O8 P2 -","- C30 H20 F2 Mo O8 P2 -","- C60 H40 F4 Mo2 O16 P4 -","2","1","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0484","0.0342","","","0.0668","0.0719","","","","","","1.014","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7049666","15.2985","0.0004","15.2985","0.0004","8.805","0.0003","90","","90","","90","","2060.76","0.1","200","2","200","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C46 H29 Cl F4 O8 P4 Pt -","- C46 H29 Cl F4 O8 P4 Pt -","- C92 H58 Cl2 F8 O16 P8 Pt2 -","2","","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0587","0.039","","","0.0679","0.0724","","","","","","1.176","","","","has coordinates,has disorder","214604","2020-10-21","18:00:00",""
"7049667","8.257","0.0002","11.6685","0.0003","14.784","0.0004","69.956","0.001","76.943","0.001","83.425","0.001","1302.45","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mo O10 P2 -","- C26 H18 Mo O10 P2 -","- C52 H36 Mo2 O20 P4 -","2","1","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0278","0.0238","","","0.0558","0.0577","","","","","","1.022","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7049668","20.82","0.003","22.79","0.003","33.942","0.004","90","","90","","90","","16105","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C166 H124 N16 O24 Re4 -","- C166 H124 N16 O24 Re4 -","- C664 H496 N64 O96 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1211","0.0543","","","0.1214","0.1594","","","","","","1.004","","","","has coordinates,has disorder","224465","2020-10-21","18:00:00",""
"7049669","8.261","0.003","35.731","0.014","12.403","0.003","90","","107.77","0.03","90","","3486","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","1","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","1.54184","CuKα","","0.2457","0.0912","","","0.1303","0.2212","","","","","","0.858","","","","has coordinates","224465","2020-10-21","18:00:00",""
"7049670","20.942","0.002","23.014","0.002","34.149","0.003","90","","90","","90","","16458","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C156 H116 N16 O28 Re4 -","- C156 H116 N16 O28 Re4 -","- C624 H464 N64 O112 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1358","0.0858","","","0.1538","0.1718","","","","","","1.106","","","","has coordinates,has disorder","224465","2020-10-21","18:00:00",""
"7049671","18.7918","0.0006","23.7918","0.0007","35.3639","0.0011","90","","90","","90","","15810.9","0.8","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C148 H92 N16 O24 Re4 -","- C148 H92 N16 O24 Re4 -","- C592 H368 N64 O96 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.0497","0.0369","","","0.0793","0.0858","","","","","","1.046","","","","has coordinates,has disorder","224465","2020-10-21","18:00:00",""
"7049672","19.1389","0.0013","24.4265","0.0013","35.133","0.002","90","","90","","90","","16424.5","1.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C148 H100 N16 O20 Re4 -","- C148 H100 N16 O20 Re4 -","- C592 H400 N64 O80 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1468","0.0821","","","0.1764","0.2088","","","","","","1.037","","","","has coordinates","224465","2020-10-21","18:00:00",""
"7049673","18.7295","0.0017","24.537","0.002","34.743","0.003","90","","90","","90","","15967","2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H92 N16 O16 Re4 -","- C144 H92 N16 O16 Re4 -","- C576 H368 N64 O64 Re16 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy","fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7425","7431","10.1039/c8dt05065a","","","0.71073","MoKα","","0.1056","0.0562","","","0.113","0.1408","","","","","","1.052","","","","has coordinates","224465","2020-10-21","18:00:00",""
"7049674","9.9923","0.0003","35.5936","0.0014","22.7942","0.0007","90","","94.338","0.003","90","","8083.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H98 F24 N12 Ni2 O8 P4 -","- C68 H98 F24 N12 Ni2 O8 P4 -","- C272 H392 F96 N48 Ni8 O32 P16 -","4","1","","Woźny, Mateusz; Tomczyk, Karolina M.; Więckowska, Agnieszka; Sutuła, Szymon; Trzybiński, Damian; Woźniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","The influence of metal-complexing macrocycle size on intramolecular movement in rotaxanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6546","6557","10.1039/c9dt00083f","","x-ray","1.54184","CuKα","","0.1444","0.09","","","0.2484","0.2973","","","","","","1.049","","","","has coordinates,has disorder","224171","2020-10-21","18:00:00",""
"7049675","10.7176","0.0013","12.6851","0.0016","13.3846","0.0016","92.078","0.004","102.237","0.004","90.99","0.004","1776.6","0.4","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H39 Cl5 F6 N3 P -","- C28 H39 Cl5 F6 N3 P -","- C56 H78 Cl10 F12 N6 P2 -","2","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.1445","0.0771","","","0.1883","0.2276","","","","","","1.039","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049676","13.2352","0.0007","10.8348","0.0007","22.2774","0.0016","90","","92.728","0.002","90","","3191","0.4","200","2","200","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C54 H72 Au Cl6 F6 N6 P -","- C54 H72 Au Cl6 F6 N6 P -","- C108 H144 Au2 Cl12 F12 N12 P2 -","2","0.5","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0795","0.0575","","","0.1444","0.1603","","","","","","1.048","","","","has coordinates,has disorder","224230","2020-10-21","18:00:00",""
"7049677","10.8269","0.0008","12.9235","0.0008","13.1193","0.0009","61.539","0.002","81.127","0.003","78.725","0.002","1578.69","0.19","200","2","200.01","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H68 Au Br2 F6 N6 P -","- C52 H68 Au Br2 F6 N6 P -","- C52 H68 Au Br2 F6 N6 P -","1","0.5","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.083","0.0493","","","0.0946","0.104","","","","","","1.038","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049678","10.8562","0.0008","14.3575","0.001","21.5425","0.0017","82.676","0.002","86.049","0.003","83.577","0.002","3304.4","0.4","190","2","190.01","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Au I3 N6 -","- C52 H68 Au I3 N6 -","- C104 H136 Au2 I6 N12 -","2","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0562","0.0379","","","0.0821","0.0879","","","","","","1.027","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049679","9.681","0.0007","22.4092","0.0015","14.0787","0.0009","90","","106.066","0.002","90","","2935","0.3","153","2","153.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu I2 N3 -","- C26 H34 Cu I2 N3 -","- C104 H136 Cu4 I8 N12 -","4","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0428","0.0349","","","0.0756","0.0787","","","","","","1.105","","","","has coordinates,has disorder","224230","2020-10-21","18:00:00",""
"7049680","11.8567","0.001","11.8619","0.0009","14.1909","0.0012","66.594","0.003","89.451","0.003","66.597","0.003","1654.7","0.2","200","2","199.99","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H41 Br F6 N3 O P -","- C29 H41 Br F6 N3 O P -","- C58 H82 Br2 F12 N6 O2 P2 -","2","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0784","0.0614","","","0.1604","0.1715","","","","","","1.055","","","","has coordinates,has disorder","224230","2020-10-21","18:00:00",""
"7049681","10.7666","0.0005","19.2037","0.001","11.8245","0.0005","90","","92.691","0.002","90","","2442.1","0.2","150","2","150.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Br N3 -","- C26 H34 Br N3 -","- C104 H136 Br4 N12 -","4","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0537","0.0378","","","0.0828","0.0883","","","","","","1.04","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049682","12.5144","0.001","15.6168","0.0012","15.7106","0.0012","102.049","0.002","99.133","0.002","107.604","0.002","2779.9","0.4","200","2","199.99","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Br2 Cu2 I2 N6 -","- C52 H68 Br2 Cu2 I2 N6 -","- C104 H136 Br4 Cu4 I4 N12 -","2","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.1118","0.0526","","","0.0958","0.1134","","","","","","1.027","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049683","12.4075","0.0014","15.6524","0.0019","15.669","0.002","101.894","0.004","98.66","0.004","108.263","0.004","2750.9","0.6","200","2","200.01","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Cl2 Cu2 I2 N6 -","- C52 H68 Cl2 Cu2 I2 N6 -","- C104 H136 Cl4 Cu4 I4 N12 -","2","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.1621","0.0782","","","0.206","0.2516","","","","","","1.028","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049684","12.814","0.004","14.306","0.004","13.997","0.004","90","","102.174","0.008","90","","2508.2","1.3","200","2","199.94","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H54 Au Cl6 I2 N5 -","- C41 H54 Au Cl6 I2 N5 -","- C82 H108 Au2 Cl12 I4 N10 -","2","0.5","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0577","0.0471","","","0.1145","0.1202","","","","","","1.043","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049685","9.631","0.0007","22.0962","0.0014","14.1496","0.0008","90","","104.327","0.002","90","","2917.5","0.3","200","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Au I2 N3 -","- C26 H34 Au I2 N3 -","- C104 H136 Au4 I8 N12 -","4","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0484","0.0316","","","0.0591","0.0639","","","","","","1.036","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049686","12.9962","0.001","13.0259","0.0011","21.456","0.0017","80.363","0.003","78.157","0.003","62.129","0.002","3131.8","0.4","150","2","150.02","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H72 Au Cl4 F6 I2 N6 P -","- C54 H72 Au Cl4 F6 I2 N6 P -","- C108 H144 Au2 Cl8 F12 I4 N12 P2 -","2","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0607","0.0369","","","0.0743","0.0825","","","","","","1.021","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049687","10.7391","0.0007","20.1341","0.0015","15.7287","0.001","90","","100.473","0.002","90","","3344.2","0.4","200","2","200.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cl3 I Ir N3 O2 -","- C29 H36 Cl3 I Ir N3 O2 -","- C116 H144 Cl12 I4 Ir4 N12 O8 -","4","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0509","0.0327","","","0.0613","0.0663","","","","","","1.042","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049688","9.2835","0.0009","9.7312","0.001","12.3642","0.0012","70.161","0.003","87.658","0.003","83.006","0.003","1042.87","0.18","150","2","149.94","","","","","","","","","7","P 1","P 1","1","","","","- C39 H52 Au B F4 I N5 -","- C39 H52 Au B F4 I N5 -","- C39 H52 Au B F4 I N5 -","1","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.0243","0.0243","","","0.0638","0.0638","","","","","","1.07","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049689","12.1451","0.0008","29.925","0.002","9.0001","0.0007","90","","92.232","0.003","90","","3268.5","0.4","150","2","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Au I N3 -","- C34 H39 Au I N3 -","- C136 H156 Au4 I4 N12 -","4","1","","Xu, Xingyu; Zhang, Zengyu; Huang, Shiqing; Cao, Lei; Liu, Wei; Yan, Xiaoyu","4-Halo-1,2,3-triazolylidenes: stable carbenes featuring halogen bonding.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6931","6941","10.1039/c9dt01018a","","","0.71073","MoKα","","0.035","0.0243","","","0.0412","0.0436","","","","","","1.042","","","","has coordinates","224230","2020-10-21","18:00:00",""
"7049690","8.6392","0.0003","16.7578","0.0005","17.6029","0.0008","90","","90","","90","","2548.44","0.16","175","2","175","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2](BF4)","","","- C24 H26 B F4 Fe N4 O4 -","- C24 H26 B F4 Fe N4 O4 -","- C96 H104 B4 F16 Fe4 N16 O16 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.0876","0.0461","","","0.0848","0.094","","","","","","0.888","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049691","8.6111","0.0003","16.4406","0.0005","17.5177","0.0008","90","","90","","90","","2480.01","0.16","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2](BF4)","","","- C24 H26 B F4 Fe N4 O4 -","- C24 H26 B F4 Fe N4 O4 -","- C96 H104 B4 F16 Fe4 N16 O16 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.0865","0.0477","","","0.0891","0.0975","","","","","","0.892","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049692","8.6347","0.0003","16.5568","0.0007","17.5497","0.0006","90","","90","","90","","2508.96","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2]ClO4","","","- C24 H26 Cl Fe N4 O8 -","- C24 H26 Cl Fe N4 O8 -","- C96 H104 Cl4 Fe4 N16 O32 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.0566","0.0368","","","0.0616","0.0649","","","","","","0.902","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049693","8.6776","0.0003","16.8062","0.0008","17.6168","0.0006","90","","90","","90","","2569.19","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2]ClO4","","","- C24 H26 Cl Fe N4 O8 -","- C24 H26 Cl Fe N4 O8 -","- C96 H104 Cl4 Fe4 N16 O32 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.07","0.0405","","","0.0653","0.0705","","","","","","0.887","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049694","7.3698","0.0003","8.619","0.0003","9.1797","0.0003","78.027","0.002","84.389","0.002","86.957","0.002","567.36","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N14 Ni2 O16 -","- C12 H22 N14 Ni2 O16 -","- C12 H22 N14 Ni2 O16 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.1017","0.0742","","","0.1723","0.1909","","","","","","1.101","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049695","7.3891","0.0003","8.6307","0.0003","9.1887","0.0004","77.928","0.002","84.47","0.002","87.086","0.002","570.08","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 N14 Ni1.41 O16 Zn0.59 -","- C12 H22 N14 Ni1.41 O16 Zn0.59 -","- C12 H22 N14 Ni1.41 O16 Zn0.59 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.0572","0.0499","","","0.1096","0.1148","","","","","","1.158","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049696","6.9844","0.0004","8.7175","0.0005","10.0198","0.0006","79.079","0.002","81.581","0.002","84.507","0.002","591.11","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Mn2 N14 O16 -","- C12 H22 Mn2 N14 O16 -","- C12 H22 Mn2 N14 O16 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.0219","0.0215","","","0.0633","0.0639","","","","","","1.115","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049697","7.3633","0.0003","8.6464","0.0003","9.2763","0.0003","77.947","0.002","84.247","0.002","87.228","0.002","574.43","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Co2 N14 O16 -","- C12 H22 Co2 N14 O16 -","- C12 H22 Co2 N14 O16 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.0308","0.0288","","","0.0767","0.0786","","","","","","1.098","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049698","7.4188","0.0003","8.6369","0.0004","9.2126","0.0004","77.798","0.002","84.443","0.002","87.127","0.002","573.99","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N14 O16 Zn2 -","- C12 H22 N14 O16 Zn2 -","- C12 H22 N14 O16 Zn2 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.0284","0.0264","","","0.0705","0.0719","","","","","","1.07","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049699","6.9999","0.0002","8.6955","0.0002","9.8777","0.0003","78.77","0.001","81.607","0.001","85.094","0.001","582.39","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Co1.74 Mn0.26 N14 O16 -","- C12 H22 Co1.74 Mn0.26 N14 O16 -","- C12 H22 Co1.74 Mn0.26 N14 O16 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.0589","0.0511","","","0.141","0.1462","","","","","","1.006","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049700","7.308","0.0016","8.6517","0.0018","9.4153","0.0018","78.474","0.015","83.477","0.014","87.509","0.015","579.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Mn0.32 N14 Ni1.68 O16 -","- C12 H22 Mn0.33 N14 Ni1.67 O16 -","- C12 H22 Mn0.33 N14 Ni1.67 O16 -","1","0.5","","Mohan, Midhun; Rajak, Sanil; Tremblay, Alexandre A.; Maris, Thierry; Duong, Adam","Syntheses of mono and bimetallic cyamelurate polymers with reversible chromic behaviour.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","7006","7014","10.1039/c9dt01278h","","x-ray","1.34139","GaKα","","0.1137","0.0889","","","0.2235","0.2462","","","","","","1.06","","","","has coordinates","224221","2020-10-21","18:00:00",""
"7049701","8.0984","0.0006","17.9704","0.001","7.8257","0.0006","90","","112.445","0.009","90","","1052.61","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","","","- C6 H8 Cl2 N2 O2 Pb -","- C6 H8 Cl2 N2 O2 Pb -","- C24 H32 Cl8 N8 O8 Pb4 -","4","1","","Gong, Liao-Kuo; Du, Ke-Zhao; Huang, Xiao-Ying","PbX<sub>2</sub>(OOCMMIm) (X = Cl, Br): photoluminescent organic-inorganic hybrid lead halide compounds with high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6690","6694","10.1039/c9dt01139k","","","0.71073","MoKα","","0.0507","0.0326","","","0.0819","0.0917","","","","","","0.999","","","","has coordinates","224233","2020-10-21","18:00:00",""
"7049702","8.3012","0.0004","18.5784","0.0007","7.9673","0.0003","90","","113.157","0.005","90","","1129.74","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br2 N2 O2 Pb -","- C6 H8 Br2 N2 O2 Pb -","- C24 H32 Br8 N8 O8 Pb4 -","4","1","","Gong, Liao-Kuo; Du, Ke-Zhao; Huang, Xiao-Ying","PbX<sub>2</sub>(OOCMMIm) (X = Cl, Br): photoluminescent organic-inorganic hybrid lead halide compounds with high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6690","6694","10.1039/c9dt01139k","","","0.71073","MoKα","","0.0706","0.0429","","","0.0795","0.0921","","","","","","1.014","","","","has coordinates","224233","2020-10-21","18:00:00",""
"7049703","35.135","0.011","14.185","0.004","24.132","0.006","90","","112.963","0.011","90","","11074","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H125 N22 O7 S6 -","- C114 H125 N22 O7 S6 -","- C456 H500 N88 O28 S24 -","4","0.5","","Gupta, Mayank; Sahana, Sunanda; Sharma, Vivekanand; Bharadwaj, Parimal K.","Benzothiazole integrated into a cryptand for ESIPT-based selective chemosensor for Zn<sup>2+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7801","7808","10.1039/c9dt00548j","","","0.71073","MoKα","","0.1492","0.0831","","","0.2108","0.2607","","","","","","1.021","","","","has coordinates,has disorder","223833","2020-10-21","18:00:00",""
"7049704","12.8125","0.0005","10.3191","0.0005","32.64","0.001","90","","98.143","0.004","90","","4271.9","0.3","297","2","297","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","1,1'-bis (dipheny1phosphino)ferrocene 5-nitrofuryl-N-ethylthiosemicarbazonato palladium(II) hexafluorophosphate'","","- C42 H37 F6 Fe N4 O3 P3 Pd S -","- C42 H37 F6 Fe N4 O3 P3 Pd S -","- C168 H148 F24 Fe4 N16 O12 P12 Pd4 S4 -","4","1","","Rodríguez Arce, Esteban; Putzu, Eugenia; Lapier, Michel; Maya, Juan Diego; Olea Azar, Claudio; Echeverría, Gustavo A; Piro, Oscar E.; Medeiros, Andrea; Sardi, Florencia; Comini, Marcelo; Risi, Gastón; Salinas, Gustavo; Correia, Isabel; Pessoa, João Costa; Otero, Lucía; Gambino, Dinorah","New heterobimetallic ferrocenyl derivatives are promising antitrypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7644","7658","10.1039/c9dt01317b","","x-ray","0.71073","MoKα","","0.0903","0.0506","","","0.0829","0.0977","","","","","","1.033","","","","has coordinates","223835","2020-10-21","18:00:00",""
"7049705","12.7827","0.0003","10.3154","0.0003","32.6199","0.0008","90","","98.323","0.003","90","","4255.91","0.19","297","2","297","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","1,1'-bis (dipheny1phosphino)ferrocene 5-nitrofuryl-N-ethylthiosemicarbazonato platium(II) hexafluorophosphate'","","- C42 H37 F6 Fe N4 O3 P3 Pt S -","- C42 H37 F6 Fe N4 O3 P3 Pt S -","- C168 H148 F24 Fe4 N16 O12 P12 Pt4 S4 -","4","1","","Rodríguez Arce, Esteban; Putzu, Eugenia; Lapier, Michel; Maya, Juan Diego; Olea Azar, Claudio; Echeverría, Gustavo A; Piro, Oscar E.; Medeiros, Andrea; Sardi, Florencia; Comini, Marcelo; Risi, Gastón; Salinas, Gustavo; Correia, Isabel; Pessoa, João Costa; Otero, Lucía; Gambino, Dinorah","New heterobimetallic ferrocenyl derivatives are promising antitrypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7644","7658","10.1039/c9dt01317b","","x-ray","0.71073","MoKα","","0.0537","0.0423","","","0.0946","0.1","","","","","","1.139","","","","has coordinates","223835","2020-10-21","18:00:00",""
"7049706","11.2899","0.0006","19.654","0.001","18.494","0.001","90","","97.665","0.005","90","","4067","0.4","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","1,1'-bis (dipheny1phosphino)ferrocene 5-nitrofuryl-thiosemicarbazonato platinum(II) hexafluorophosphate","","- C40 H33 F6 Fe N4 O3 P3 Pt S -","- C40 H33 F6 Fe N4 O3 P3 Pt S -","- C160 H132 F24 Fe4 N16 O12 P12 Pt4 S4 -","4","1","","Rodríguez Arce, Esteban; Putzu, Eugenia; Lapier, Michel; Maya, Juan Diego; Olea Azar, Claudio; Echeverría, Gustavo A; Piro, Oscar E.; Medeiros, Andrea; Sardi, Florencia; Comini, Marcelo; Risi, Gastón; Salinas, Gustavo; Correia, Isabel; Pessoa, João Costa; Otero, Lucía; Gambino, Dinorah","New heterobimetallic ferrocenyl derivatives are promising antitrypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7644","7658","10.1039/c9dt01317b","","x-ray","0.71073","MoKα","","0.1144","0.0567","","","0.1238","0.1598","","","","","","1.029","","","","has coordinates","223835","2020-10-21","18:00:00",""
"7049707","12.7907","0.0004","10.2881","0.0003","32.7377","0.0008","90","","98.283","0.002","90","","4263.1","0.2","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","1,1'-bis (dipheny1phosphino)ferrocene 5-nitrofuryl-N-methylthiosemicarbazonato palladium(II) hexafluorophosphate","","- C41 H35 F6 Fe N4 O3 P3 Pd S -","- C41 H35 F6 Fe N4 O3 P3 Pd S -","- C164 H140 F24 Fe4 N16 O12 P12 Pd4 S4 -","4","1","","Rodríguez Arce, Esteban; Putzu, Eugenia; Lapier, Michel; Maya, Juan Diego; Olea Azar, Claudio; Echeverría, Gustavo A; Piro, Oscar E.; Medeiros, Andrea; Sardi, Florencia; Comini, Marcelo; Risi, Gastón; Salinas, Gustavo; Correia, Isabel; Pessoa, João Costa; Otero, Lucía; Gambino, Dinorah","New heterobimetallic ferrocenyl derivatives are promising antitrypanosomal agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7644","7658","10.1039/c9dt01317b","","","0.7107","MoKα","","0.0601","0.0431","","","0.0961","0.1053","","","","","","1.064","","","","has coordinates","223835","2020-10-21","18:00:00",""
"7049708","9.5047","0.0003","15.6536","0.0004","13.6199","0.0004","90","","99.103","0.003","90","","2000.88","0.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 Cd N4 O4 -","- C19 H24 Cd N4 O4 -","- C76 H96 Cd4 N16 O16 -","4","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0362","0.0322","","","0.0791","0.0824","","","","","","1.035","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049709","9.6196","0.0004","15.3906","0.0007","13.5675","0.0006","90","","98.38","0.004","90","","1987.24","0.15","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cd N4 O4 -","- C19 H22 Cd N4 O4 -","- C76 H88 Cd4 N16 O16 -","4","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0353","0.0301","","","0.0732","0.0765","","","","","","1.016","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049710","27.292","0.003","13.4509","0.0012","17.818","0.002","90","","128.036","0.008","90","","5151.9","1.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H78 Cd2 N8 O22 -","- C34 H48 Cd2 N8 O14 -","- C136 H192 Cd8 N32 O56 -","4","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.1083","0.067","","","0.1814","0.219","","","","","","1.037","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049711","22.6437","0.0018","10.0956","0.0013","25.971","0.002","90","","103.606","0.008","90","","5770.4","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cd N4 O4 -","- C19 H22 Cd N4 O4 -","- C152 H176 Cd8 N32 O32 -","8","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0734","0.044","","","0.1008","0.1167","","","","","","1.026","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049712","14.237","0.0009","22.198","0.002","15.1244","0.0009","90","","105.924","0.007","90","","4596.4","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cd2 N4 O10 -","- C31 H32 Cd2 N4 O10 -","- C124 H128 Cd8 N16 O40 -","4","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.162","0.0877","","","0.2044","0.2538","","","","","","0.978","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049713","10.5068","0.0006","11.8756","0.0007","12.5699","0.0008","68.55","0.006","85.463","0.005","78.226","0.005","1429.04","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Cd3 N8 O18 -","- C54 H64 Cd3 N8 O18 -","- C54 H64 Cd3 N8 O18 -","1","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0647","0.0441","","","0.0875","0.0971","","","","","","1.053","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049714","13.066","0.003","14.043","0.003","14.727","0.004","79.56","0.02","70.43","0.02","83.78","0.02","2500.6","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Cd2 N4 O10 -","- C31 H32 Cd2 N4 O10 -","- C62 H64 Cd4 N8 O20 -","2","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.1992","0.0896","","","0.2017","0.2627","","","","","","0.837","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049715","13.3805","0.0005","14.9945","0.0007","10.0968","0.0004","90","","96.126","0.005","90","","2014.19","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cd2 Cl2 N8 O4 -","- C38 H44 Cd2 Cl2 N8 O4 -","- C76 H88 Cd4 Cl4 N16 O8 -","2","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0724","0.0484","","","0.1024","0.1149","","","","","","1.093","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049716","11.2947","0.001","18.451","0.001","11.4731","0.0012","90","","101.575","0.011","90","","2342.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cd N4 O5 -","- C23 H26 Cd N4 O5 -","- C92 H104 Cd4 N16 O20 -","4","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.118","0.0623","","","0.135","0.167","","","","","","1.022","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049717","8.6728","0.001","11.2242","0.0013","17.0177","0.0018","84.236","0.009","76.546","0.01","89.236","0.009","1602.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 Cd2 N4 O11 -","- C23 H30 Cd2 N4 O11 -","- C46 H60 Cd4 N8 O22 -","2","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0909","0.0604","","","0.1241","0.146","","","","","","1.046","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049718","11.5239","0.0006","10.9162","0.0004","18.5387","0.0006","90","","94.159","0.004","90","","2325.98","0.17","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 Cd2 Cl2 N8 O16 -","- C38 H52 Cd2 Cl2 N8 O16 -","- C76 H104 Cd4 Cl4 N16 O32 -","2","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.0891","0.051","","","0.1208","0.1422","","","","","","1.016","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049719","21.428","0.0015","9.427","0.0011","26.416","0.003","90","","104.834","0.009","90","","5158.2","0.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Cd3 N8 O22 S2 -","- C38 H64 Cd3 N8 O22 S2 -","- C152 H256 Cd12 N32 O88 S8 -","4","0.5","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.1114","0.08","","","0.1166","0.127","","","","","","1.251","","","","has coordinates,has disorder","223831","2020-10-21","18:00:00",""
"7049720","10.5103","0.0011","18.4362","0.0011","12.6751","0.0009","90","","90","","90","","2456.1","0.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Cd N4 O5 -","- C24 H28 Cd N4 O5 -","- C96 H112 Cd4 N16 O20 -","4","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.1435","0.0747","","","0.1484","0.1861","","","","","","1.022","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049721","11.6474","0.0005","11.7398","0.0007","23.4025","0.0008","100.805","0.004","94.008","0.003","106.319","0.004","2991","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H108 Mg2 N6 Na2 O6 -","- C54 H108 Mg2 N6 Na2 O6 -","- C108 H216 Mg4 N12 Na4 O12 -","2","1","","Davin, Laia; Hernán-Gómez, Alberto; McLaughlin, Calum; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Alkali metal and stoichiometric effects in intermolecular hydroamination catalysed by lithium, sodium and potassium magnesiates.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8122","8130","10.1039/c9dt00923j","","","1.5418","CuKα","","0.0723","0.0578","","","0.1576","0.1752","","","","","","1.02","","","","has coordinates","224439","2020-10-21","18:00:00",""
"7049722","10.476","0.0014","19.224","0.002","19.864","0.002","90","","93.733","0.01","90","","3991.9","0.8","123.6","","123.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Mg N8 Na2 -","- C32 H72 Mg N8 Na2 -","- C128 H288 Mg4 N32 Na8 -","4","1","","Davin, Laia; Hernán-Gómez, Alberto; McLaughlin, Calum; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Alkali metal and stoichiometric effects in intermolecular hydroamination catalysed by lithium, sodium and potassium magnesiates.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8122","8130","10.1039/c9dt00923j","","","0.71073","MoKα","","0.1366","0.0711","","","0.171","0.2205","","","","","","1.012","","","","has coordinates,has disorder","224439","2020-10-21","18:00:00",""
"7049723","16.212","0.002","18.987","0.003","16.985","0.002","90","","91.746","0.003","90","","5225.8","1.2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H71.5 Mo21 N10.5 O60 -","- C41 H63 Mo21 N10 O59 -","- C82 H126 Mo42 N20 O118 -","2","0.5","","Luo, Benlong; Xu, Li","POM-FLPs: [Mo]<sub>n</sub>-polyoxometalate bifunctional catalysis by [Mo]<sub>n</sub>-O<sub>m</sub> Lewis pairs frustrated by triangular Mo<sup>IV</sup>-Mo<sup>IV</sup> bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6892","6898","10.1039/c9dt00983c","","","0.71073","MoKα","","0.0544","0.0403","","","0.099","0.1035","","","","","","1.084","","","","has coordinates,has disorder","224231","2020-10-21","18:00:00",""
"7049724","22.763","0.004","13.703","0.002","27.665","0.005","90","","112.075","0.003","90","","7997","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C85 H87 Ge5 Mo32 N17 O96 Zn -","- C70 H70 Ge5 Mo32 N14 O96 Zn -","- C140 H140 Ge10 Mo64 N28 O192 Zn2 -","2","0.25","","Luo, Benlong; Xu, Li","POM-FLPs: [Mo]<sub>n</sub>-polyoxometalate bifunctional catalysis by [Mo]<sub>n</sub>-O<sub>m</sub> Lewis pairs frustrated by triangular Mo<sup>IV</sup>-Mo<sup>IV</sup> bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6892","6898","10.1039/c9dt00983c","","","0.71073","MoKα","","0.0731","0.0643","","","0.1198","0.1234","","","","","","1.29","","","","has coordinates,has disorder","224231","2020-10-21","18:00:00",""
"7049725","8.7482","0.0018","7.4018","0.0015","14.741","0.003","90","","90.113","0.004","90","","954.5","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- Cd2 H4 I6 O2 Rb2 -","- Cd2 H4 I6 O2 Rb2 -","- Cd4 H8 I12 O4 Rb4 -","2","1","","Wu, Qi; Liu, Xian; Xu, Siran; Pi, Hongbing; Han, Xue; Liu, Yang; Li, Yanjun","Synthesis, crystal structures and nonlinear optical properties of β-RbCdI<sub>3</sub>·H<sub>2</sub>O and CsCdI<sub>3</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6787","6793","10.1039/c9dt01408j","","","0.71073","MoKα","","0.0946","0.0806","","","0.1857","0.1975","","","","","","0.969","","","","has coordinates","224229","2020-10-21","18:00:00",""
"7049726","8.9666","0.0007","7.5492","0.0006","14.9311","0.0012","90","","90.428","0.001","90","","1010.67","0.14","298","2","298.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- Cd2 Cs2 H4 I6 O2 -","- Cd2 Cs2 H4 I6 O2 -","- Cd4 Cs4 H8 I12 O4 -","2","1","","Wu, Qi; Liu, Xian; Xu, Siran; Pi, Hongbing; Han, Xue; Liu, Yang; Li, Yanjun","Synthesis, crystal structures and nonlinear optical properties of β-RbCdI<sub>3</sub>·H<sub>2</sub>O and CsCdI<sub>3</sub>·H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6787","6793","10.1039/c9dt01408j","","","0.71073","MoKα","","0.0244","0.0234","","","0.0663","0.0669","","","","","","1.145","","","","has coordinates","224229","2020-10-21","18:00:00",""
"7049727","18.1072","0.0002","19.7437","0.0003","21.508","0.0003","90","","90","","90","","7689.18","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H118 N6 Si4 Zn2 -","- C76 H118 N6 Si4 Zn2 -","- C304 H472 N24 Si16 Zn8 -","4","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.0262","0.0248","","","0.065","0.066","","","","","","1.041","","","","has coordinates","224440","2020-10-21","18:00:00",""
"7049728","19.374","0.003","10.6381","0.0015","24.802","0.004","90","","112.6","0.02","90","","4719.2","1.4","290.45","0.17","290.45","0.17","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 N2 P Te2 Zn -","- C44 H63 N2 P Te2 Zn -","- C176 H252 N8 P4 Te8 Zn4 -","4","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.051","0.0435","","","0.1145","0.1199","","","","","","1.117","","","","has coordinates","224440","2020-10-21","18:00:00",""
"7049729","19.066","0.0002","10.3515","0.0001","24.6114","0.0003","90","","112.702","0.001","90","","4481.02","0.09","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 N2 P Se2 Zn -","- C44 H63 N2 P Se2 Zn -","- C176 H252 N8 P4 Se8 Zn4 -","4","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.0319","0.0313","","","0.0806","0.081","","","","","","1.158","","","","has coordinates","224440","2020-10-21","18:00:00",""
"7049730","10.946","0.0003","13.4527","0.0003","13.6087","0.0004","97.589","0.002","104.345","0.002","98.248","0.002","1891.78","0.09","291.24","0.1","291.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H51 N2 P Zn -","- C44 H51 N2 P Zn -","- C88 H102 N4 P2 Zn2 -","2","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.0342","0.0319","","","0.0816","0.0833","","","","","","1.041","","","","has coordinates","224440","2020-10-21","18:00:00",""
"7049731","12.1052","0.0005","12.8767","0.0005","22.5863","0.0011","85.696","0.003","78.852","0.004","63.031","0.004","3078.2","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C67 H89 N4 Te Zn2 -","- C67 H89 N4 Te Zn2 -","- C134 H178 N8 Te2 Zn4 -","2","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.0451","0.0389","","","0.1101","0.1127","","","","","","1.204","","","","has coordinates","224440","2020-10-21","18:00:00",""
"7049732","10.88553","0.00012","16.51628","0.00019","22.012","0.0002","90","","91.6596","0.001","90","","3955.84","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 N2 P Zn -","- C44 H63 N2 P Zn -","- C176 H252 N8 P4 Zn4 -","4","1","","Webb, Dylan; Fulton, J. Robin","Utilising an anilido-imino ligand to stabilise zinc-phosphanide complexes: reactivity and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8094","8105","10.1039/c9dt00681h","","x-ray","1.54184","CuKα","","0.0658","0.0611","","","0.1593","0.1632","","","","","","1.099","","","","has coordinates,has disorder","224440","2020-10-21","18:00:00",""
"7049733","7.9959","0.0016","13.116","0.003","11.623","0.002","90","","103.34","0.03","90","","1186.1","0.4","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis-tert-butylidobismutan","","- C8 H18 Bi I -","- C8 H18 Bi I -","- C32 H72 Bi4 I4 -","4","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0348","0.0274","","","0.0569","0.0588","","","","","","1.014","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049734","11.4387","0.0016","11.4387","0.0016","17.818","0.004","90","","90","","90","","2331.4","0.7","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Di tert butyl azidobismuthane","","- C8 H18 Bi N3 -","- C8 H18 Bi N3 -","- C64 H144 Bi8 N24 -","8","0.5","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0187","0.0167","","","0.036","0.0363","","","","","","1.037","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049735","12.8551","0.0012","14.8107","0.0011","13.3604","0.0009","90","","90","","90","","2543.7","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Bis-tert-butylthiocyanatobismuthan","","- C18 H36 Bi2 N2 S2 -","- C18 H36 Bi2 N2 S2 -","- C72 H144 Bi8 N8 S8 -","4","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0422","0.0319","","","0.0693","0.0711","","","","","","0.964","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049736","13.3118","0.0006","13.3118","0.0006","6.282","0.0003","90","","90","","90","","1113.2","0.09","100","2","100","1","","","","","","","","4","P 42 21 2","P 4n 2n","94","","Bis-tert-butylcyanobismutan","","- C9 H18 Bi N -","- C9 H18 Bi N -","- C36 H72 Bi4 N4 -","4","0.5","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","","0.71073","MoKα","","0.0317","0.0236","","","0.0456","0.049","","","","","","1.247","","","","has coordinates,has disorder","224190","2020-10-21","18:00:00",""
"7049737","25.4287","0.0011","14.5223","0.0003","18.17","0.0007","90","","129.858","0.003","90","","5150.7","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H45 Bi P Sb -","- C20 H45 Bi P Sb -","- C160 H360 Bi8 P8 Sb8 -","8","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","x-ray","1.54186","CuKα","","0.0801","0.0559","","","0.1664","0.1747","","","","","","1.036","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049738","10.1733","0.0005","16.2865","0.0008","6.6583","0.0003","90","","90","","90","","1103.2","0.09","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis-tert-butylchlorobismutan","","- C8 H18 Bi Cl -","- C8 H18 Bi Cl -","- C32 H72 Bi4 Cl4 -","4","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","x-ray","0.71073","MoKα","","0.0272","0.0247","","","0.0562","0.0571","","","","","","1.08","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049739","13.7248","0.0007","11.878","0.0006","14.021","0.0007","90","","90","","90","","2285.7","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis-tert-butylbromobismutan","","- C8 H18 Bi Br -","- C8 H18 Bi Br -","- C64 H144 Bi8 Br8 -","8","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","x-ray","0.71073","MoKα","","0.0255","0.0243","","","0.0579","0.0587","","","","","","1.107","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049740","11.1405","0.0005","14.1299","0.0008","17.463","0.0007","90","","91.071","0.003","90","","2748.4","0.2","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N O2 P2 -","- C34 H25 N O2 P2 -","- C136 H100 N4 O8 P8 -","4","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.057","0.0383","","","0.0919","0.0974","","","","","","1.053","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049741","11.6227","0.0003","12.3603","0.0003","27.4728","0.0007","97.427","0.002","91.569","0.002","103.892","0.002","3792.16","0.17","193.15","","193.15","","","","","","","","","7","P 1","P 1","1","","","","- C78 H66 Cl4 Cu4 N2 O12 P4 -","- C78 H66 Cl4 Cu4 N2 O12 P4 -","- C156 H132 Cl8 Cu8 N4 O24 P8 -","2","2","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0695","0.0623","","","0.1691","0.1759","","","","","","1.073","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049742","15.3583","0.0012","16.3686","0.0013","26.495","0.002","90","","90","","90","","6660.7","0.9","150.15","","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H66 Cu N2 O4 P4 -","- C82 H66 Cu N2 O4 P4 -","- C328 H264 Cu4 N8 O16 P16 -","4","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.0858","0.0531","","","0.1201","0.1358","","","","","","1.017","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049743","11.2383","0.0005","15.6851","0.0007","17.5534","0.001","84.797","0.004","79.338","0.004","84.311","0.004","3017.5","0.3","180.15","","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H58 Cu N2 O4 P4 -","- C75 H58 Cu N2 O4 P4 -","- C150 H116 Cu2 N4 O8 P8 -","2","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0915","0.0536","","","0.1252","0.1387","","","","","","0.975","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049744","11.6182","0.0003","27.1979","0.001","12.3853","0.0003","90","","104.088","0.002","90","","3795.9","0.2","193.15","","193.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80 H70 Cl2 Cu4 N2 O12 P4 -","- C80 H70 Cl2 Cu4 N2 O12 P4 -","- C160 H140 Cl4 Cu8 N4 O24 P8 -","2","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0577","0.0402","","","0.0909","0.0982","","","","","","1.009","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049745","9.74","0.0004","10.7051","0.0005","14.8603","0.0007","80.278","0.004","73.675","0.004","86.021","0.004","1465.23","0.12","180.15","","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H50 Cu2 I2 N2 O4 P4 -","- C68 H50 Cu2 I2 N2 O4 P4 -","- C68 H50 Cu2 I2 N2 O4 P4 -","1","0.5","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0612","0.0344","","","0.068","0.0745","","","","","","0.941","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049746","12.8008","0.0003","13.2596","0.0003","22.228","0.0005","93.294","0.002","105.141","0.002","109.829","0.002","3381.33","0.15","170.15","","170.15","","","","","","","","","8","P -1","-P 1","2","","","","- C70.25 H55.5 Cl4.5 Cu N2 O8.75 P4 S -","- C70.25 H55.5 Cl4.5 Cu N2 O8.75 P4 S -","- C140.5 H111 Cl9 Cu2 N4 O17.5 P8 S2 -","2","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.0702","0.0647","","","0.1715","0.1754","","","","","","1.029","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049747","15.5703","0.0006","16.7709","0.0005","21.7141","0.0008","90","","106.686","0.003","90","","5431.4","0.3","180.15","","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 Ag N2 O4 P4 -","- C68 H50 Ag N2 O4 P4 -","- C272 H200 Ag4 N8 O16 P16 -","4","0.5","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0656","0.0556","","","0.1192","0.1225","","","","","","1.168","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049748","11.6909","0.0004","15.5366","0.0005","20.1956","0.0007","75.302","0.003","74.805","0.003","89.165","0.003","3418.9","0.2","180.15","","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C82 H66 Au Cl N2 O4 P4 -","- C82 H66 Au Cl N2 O4 P4 -","- C164 H132 Au2 Cl2 N4 O8 P8 -","2","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.103","0.0905","","","0.2356","0.2469","","","","","","1.034","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049749","9.6363","0.0005","10.6489","0.0006","14.929","0.0008","79.104","0.004","73.427","0.004","85.74","0.004","1441.5","0.14","180.15","","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H50 Br2 Cu2 N2 O4 P4 -","- C68 H50 Br2 Cu2 N2 O4 P4 -","- C68 H50 Br2 Cu2 N2 O4 P4 -","1","0.5","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.044","0.0275","","","0.0603","0.0646","","","","","","0.956","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049750","42.9195","0.0012","11.5745","0.0002","29.7098","0.0008","90","","113.822","0.002","90","","13501.6","0.6","180.15","","180.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H56 Au Cl7 N2 O4 P4 -","- C71 H56 Au Cl7 N2 O4 P4 -","- C568 H448 Au8 Cl56 N16 O32 P32 -","8","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0955","0.0769","","","0.2066","0.2275","","","","","","1.028","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049751","26.7644","0.0007","34.3227","0.0007","25.9458","0.0007","90","","118.49","0.002","90","","20948.1","1","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H53 Cu N O5 P4 -","- C69 H53 Cu N O5 P4 -","- C828 H636 Cu12 N12 O60 P48 -","12","3","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.084","0.0571","","","0.1531","0.1668","","","","","","1.021","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049752","14.3361","0.0005","15.8794","0.0006","21.5123","0.0007","78.636","0.003","74.66","0.003","83.84","0.003","4622.3","0.3","180.15","","180.15","","","","","","","","","6","P 1","P 1","1","","","","- C75 H58 Ag N2 O4 P4 -","- C75 H58 Ag N2 O4 P4 -","- C225 H174 Ag3 N6 O12 P12 -","3","3","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0764","0.0462","","","0.0781","0.0865","","","","","","0.899","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049753","17.7091","0.0004","11.3716","0.0002","31.5245","0.0007","90","","93.761","0.002","90","","6334.8","0.2","150.15","","150.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C69.5 H53 Ag Cl3 N3 O7 P4 -","- C69.5 H53 Ag Cl3 N3 O7 P4 -","- C278 H212 Ag4 Cl12 N12 O28 P16 -","4","2","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.0533","0.0483","","","0.122","0.1273","","","","","","1.03","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049754","37.7119","0.0013","37.7119","0.0013","13.4414","0.0004","90","","90","","120","","16555.1","0.9","133.15","","133.15","","","","","","","","","7","R 3","R 3","146","","","","- C39.75 H36.5 Cl2.5 N O2 P2 Pd -","- C39.75 H36.5 Cl2.5 N O2 P2 Pd -","- C715.5 H657 Cl45 N18 O36 P36 Pd18 -","18","","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0746","0.0628","","","0.1518","0.1584","","","","","","1.005","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049755","13.3647","0.0004","14.5914","0.0007","19.3008","0.0008","95.619","0.003","108.526","0.003","97.034","0.003","3504.3","0.3","180.15","","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C70.5 H55 Au Cl5 F6 N2 O4 P5 -","- C70.5 H55 Au Cl5 F6 N2 O4 P5 -","- C141 H110 Au2 Cl10 F12 N4 O8 P10 -","2","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","","0.71073","MoKα","","0.1229","0.0909","","","0.2343","0.2672","","","","","","1.025","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049756","23.3882","0.0011","11.1956","0.0003","21.9982","0.0009","90","","97.454","0.004","90","","5711.4","0.4","180.15","","180.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C69 H52 Cl2 N2 O4 P4 Pd -","- C69 H52 Cl2 N2 O4 P4 Pd -","- C276 H208 Cl8 N8 O16 P16 Pd4 -","4","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0652","0.0486","","","0.1141","0.1211","","","","","","1.06","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049757","15.9829","0.0007","15.073","0.0008","23.6619","0.0013","90","","106.616","0.004","90","","5462.4","0.5","180.15","","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 N2 O4 P4 Pd -","- C68 H50 N2 O4 P4 Pd -","- C272 H200 N8 O16 P16 Pd4 -","4","0.5","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.05","0.0365","","","0.0909","0.0954","","","","","","1.037","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049758","12.4072","0.0005","12.742","0.0005","13.3068","0.0006","73.232","0.003","85.908","0.003","62.212","0.003","1777.01","0.14","180.15","","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C71 H56 Cl6 F12 N2 O4 P6 Pd -","- C71 H56 Cl6 F12 N2 O4 P6 Pd -","- C71 H56 Cl6 F12 N2 O4 P6 Pd -","1","0.5","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0469","0.0418","","","0.1061","0.1093","","","","","","1.048","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049759","13.3809","0.0003","28.69","0.0006","19.3683","0.0005","90","","108.168","0.002","90","","7064.8","0.3","180.15","","180.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70.5 H55 Au Cl5 F6 N2 O4 P5 -","- C70.5 H55 Au Cl5 F6 N2 O4 P5 -","- C282 H220 Au4 Cl20 F24 N8 O16 P20 -","4","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0995","0.0932","","","0.2659","0.2817","","","","","","1.289","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049760","22.0681","0.001","17.9381","0.0005","20.6378","0.0008","90","","107.358","0.003","90","","7797.6","0.5","180.15","","180.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H74 F12 N2 O8 P6 Pd -","- C80 H74 F12 N2 O8 P6 Pd -","- C320 H296 F48 N8 O32 P24 Pd4 -","4","0.5","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0625","0.0471","","","0.1284","0.1362","","","","","","1.037","","","","has coordinates,has disorder","214680","2020-10-21","18:00:00",""
"7049761","11.3516","0.0008","15.8507","0.0015","21.6322","0.0019","77.447","0.007","76.796","0.006","71.073","0.007","3540.9","0.5","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H28 Cl5 N O2 P2 Pd -","- C35.5 H28 Cl5 N O2 P2 Pd -","- C142 H112 Cl20 N4 O8 P8 Pd4 -","4","2","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.1428","0.0722","","","0.1617","0.1834","","","","","","0.91","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049762","27.3505","0.0014","17.7863","0.0013","27.8832","0.0014","90","","111.516","0.004","90","","12619","1.3","133.15","","133.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H26 Cl3 N O2 P2 Pd -","- C34.5 H26 Cl3 N O2 P2 Pd -","- C552 H416 Cl48 N16 O32 P32 Pd16 -","16","4","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","0.71073","MoKα","","0.0429","0.0292","","","0.0709","0.0755","","","","","","1.028","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049763","10.5996","0.0004","17.1262","0.0008","18.4212","0.0008","90","","90","","90","","3344","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 N2 O2 Sc Si2 -","- C30 H49 N2 O2 Sc Si2 -","- C120 H196 N8 O8 Sc4 Si8 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Lai, Xiaoling; Li, Yang; Jiang, Kang; He, Gaohong","Highly active rare-earth metal catalysts for heteroselective ring-opening polymerization of racemic lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9079","9088","10.1039/c9dt00541b","","","0.71073","MoKα","","0.0256","0.0243","","","0.0637","0.0649","","","","","","0.979","","","","has coordinates,has disorder","224218","2020-10-21","18:00:00",""
"7049764","31.7233","0.0009","10.243","0.0003","24.4803","0.0007","90","","91.194","0.001","90","","7952.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H59 N2 O2 Sc Si2 -","- C39 H59 N2 O2 Sc Si2 -","- C312 H472 N16 O16 Sc8 Si16 -","8","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Lai, Xiaoling; Li, Yang; Jiang, Kang; He, Gaohong","Highly active rare-earth metal catalysts for heteroselective ring-opening polymerization of racemic lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9079","9088","10.1039/c9dt00541b","","","0.71073","MoKα","","0.0534","0.0369","","","0.0848","0.0919","","","","","","1.026","","","","has coordinates","224218","2020-10-21","18:00:00",""
"7049765","10.8715","0.0004","17.0073","0.0006","11.2197","0.0004","90","","110.818","0.001","90","","1939.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H61 N2 O2 Sc Si2 -","- C36 H61 N2 O2 Sc Si2 -","- C72 H122 N4 O4 Sc2 Si4 -","2","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Lai, Xiaoling; Li, Yang; Jiang, Kang; He, Gaohong","Highly active rare-earth metal catalysts for heteroselective ring-opening polymerization of racemic lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9079","9088","10.1039/c9dt00541b","","","0.71073","MoKα","","0.0242","0.0234","","","0.0618","0.0622","","","","","","1.097","","","","has coordinates","224218","2020-10-21","18:00:00",""
"7049766","17.7574","0.0011","16.5643","0.001","12.3893","0.0008","90","","90.242","0.002","90","","3644.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 N2 O2 Sc Si2 -","- C35 H51 N2 O2 Sc Si2 -","- C140 H204 N8 O8 Sc4 Si8 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Lai, Xiaoling; Li, Yang; Jiang, Kang; He, Gaohong","Highly active rare-earth metal catalysts for heteroselective ring-opening polymerization of racemic lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9079","9088","10.1039/c9dt00541b","","","0.71073","MoKα","","0.1342","0.0911","","","0.2398","0.289","","","","","","1.05","","","","has coordinates","224218","2020-10-21","18:00:00",""
"7049767","10.7939","0.0005","12.0638","0.0005","21.0206","0.001","90","","90","","90","","2737.2","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 B F4 P Sb -","- C31 H27 B F4 P Sb -","- C124 H108 B4 F16 P4 Sb4 -","4","1","","Yang, Mengxi; Hirai, Masato; Gabbaï, François P","Phosphonium-stibonium and bis-stibonium cations as pnictogen-bonding catalysts for the transfer hydrogenation of quinolines.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6685","6689","10.1039/c9dt01357a","","","0.71073","MoKα","","0.0491","0.0404","","","0.085","0.0892","","","","","","1.064","","","","has coordinates,has disorder","224219","2020-10-21","18:00:00",""
"7049768","18.8422","0.0017","10.1309","0.0009","17.5792","0.0017","90","","93.042","0.003","90","","3350.9","0.5","100","","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B2 F8 P Sb -","- C37 H32 B2 F8 P Sb -","- C148 H128 B8 F32 P4 Sb4 -","4","1","","Yang, Mengxi; Hirai, Masato; Gabbaï, François P","Phosphonium-stibonium and bis-stibonium cations as pnictogen-bonding catalysts for the transfer hydrogenation of quinolines.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6685","6689","10.1039/c9dt01357a","","","0.71073","MoKα","","0.0526","0.0433","","","0.0917","0.0945","","","","","","1.205","","","","has coordinates","224219","2020-10-21","18:00:00",""
"7049769","10.9669","0.0005","22.7967","0.001","13.263","0.0006","90","","111.988","0.002","90","","3074.7","0.2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 B F4 P Sb -","- C36 H29 B F4 P Sb -","- C144 H116 B4 F16 P4 Sb4 -","4","1","","Yang, Mengxi; Hirai, Masato; Gabbaï, François P","Phosphonium-stibonium and bis-stibonium cations as pnictogen-bonding catalysts for the transfer hydrogenation of quinolines.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6685","6689","10.1039/c9dt01357a","","","0.71073","MoKα","","0.0726","0.0436","","","0.0983","0.1108","","","","","","1.032","","","","has coordinates","224219","2020-10-21","18:00:00",""
"7049770","7.3262","0.0003","9.4868","0.0005","15.4805","0.0006","103.132","0.004","90.42","0.003","103.849","0.004","1015.16","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl2 Co N8 O -","- C16 H24 Cl2 Co N8 O -","- C32 H48 Cl4 Co2 N16 O2 -","2","1","","Tupolova, Yulia P.; Shcherbakov, Igor N.; Popov, Leonid D.; Lebedev, Vladimir E.; Tkachev, Valery V.; Zakharov, Konstantin V.; Vasiliev, Alexander N.; Korchagin, Denis V.; Palii, Andrei V.; Aldoshin, Sergey M.","Field-induced single-ion magnet behaviour of a hexacoordinated Co(ii) complex with easy-axis-type magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6960","6970","10.1039/c9dt00770a","","","0.71073","MoKα","","0.0572","0.0405","","","0.0784","0.0841","","","","","","1.032","","","","has coordinates","224236","2020-10-21","18:00:00",""
"7049771","12.637","0.008","26.812","0.015","19.841","0.013","90","","100.182","0.009","90","","6617","7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H55 F12 N9 P4 Ru2 -","- C58 H55 F12 N9 P4 Ru2 -","- C232 H220 F48 N36 P16 Ru8 -","4","1","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.1021","0.0866","","","0.2449","0.2699","","","","","","1.094","","","","has coordinates","223824","2020-10-21","18:00:00",""
"7049772","14.33","0.004","24.429","0.006","19.346","0.008","90","","90","","90","","6772","4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C59 H61 F12 N9 P4 Ru2 -","- C59 H61 F12 N9 P4 Ru2 -","- C236 H244 F48 N36 P16 Ru8 -","4","0.5","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.0951","0.0811","","","0.2138","0.2346","","","","","","0.972","","","","has coordinates,has disorder","223824","2020-10-21","18:00:00",""
"7049773","14.377","0.007","15.398","0.007","28.27","0.014","90","","94.152","0.006","90","","6242","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H57 F12 N9 P4 Ru2 -","- C59 H57 F12 N9 P4 Ru2 -","- C236 H228 F48 N36 P16 Ru8 -","4","1","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.1093","0.0806","","","0.1687","0.1854","","","","","","1.11","","","","has coordinates","223824","2020-10-21","18:00:00",""
"7049774","24.139","0.007","28.614","0.008","19.264","0.005","90","","90","","90","","13306","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C231 H234 Cl6 F48 N36 P16 Ru8 -","- C231 H234 Cl6 F48 N36 P16 Ru8 -","- C462 H468 Cl12 F96 N72 P32 Ru16 -","2","0.5","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.0912","0.0772","","","0.1839","0.1945","","","","","","1.138","","","","has coordinates","223824","2020-10-21","18:00:00",""
"7049775","13.82","0.003","19.4","0.004","25.82","0.005","90","","101.65","0.03","90","","6780","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H59 F12 N9 P4 Ru2 -","- C58 H59 F12 N9 P4 Ru2 -","- C232 H236 F48 N36 P16 Ru8 -","4","1","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.0605","0.0562","","","0.1475","0.1518","","","","","","1.09","","","","has coordinates","223824","2020-10-21","18:00:00",""
"7049776","13.517","0.002","19.619","0.004","27.456","0.004","90","","112.215","0.006","90","","6741","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H57 Cl2 F12 N9 O P4 Ru2 -","- C57 H57 Cl2 F12 N9 O P4 Ru2 -","- C228 H228 Cl8 F48 N36 O4 P16 Ru8 -","4","1","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.0769","0.0664","","","0.1912","0.2049","","","","","","1.11","","","","has coordinates","223824","2020-10-21","18:00:00",""
"7049777","10.89737","0.00011","21.25955","0.00019","15.54005","0.00014","90","","95.706","0.0008","90","","3582.37","0.06","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 Br2 F3 Ir N4 O3 S -","- C37 H24 Br2 F3 Ir N4 O3 S -","- C148 H96 Br8 F12 Ir4 N16 O12 S4 -","4","1","","Kinzhalov, Mikhail A.; Eremina, Anzhelika A.; Smirnov, Andrey S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu; Luzyanin, Konstantin V.","Cleavage of acyclic diaminocarbene ligands at an iridium(iii) center. Recognition of a new reactivity mode for carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7571","7582","10.1039/c9dt01138b","","x-ray","1.54184","CuKα","","0.0313","0.03","","","0.0779","0.0793","","","","","","1.034","","","","has coordinates","223827","2020-10-21","18:00:00",""
"7049778","13.0467","0.0008","30.1504","0.0013","10.5444","0.0005","90","","100.392","0.006","90","","4079.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl5 F3 Ir N6 O3 S -","- C38 H31 Cl5 F3 Ir N6 O3 S -","- C152 H124 Cl20 F12 Ir4 N24 O12 S4 -","4","1","","Kinzhalov, Mikhail A.; Eremina, Anzhelika A.; Smirnov, Andrey S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu; Luzyanin, Konstantin V.","Cleavage of acyclic diaminocarbene ligands at an iridium(iii) center. Recognition of a new reactivity mode for carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7571","7582","10.1039/c9dt01138b","","","0.71073","MoKα","","0.0895","0.0762","","","0.1319","0.1368","","","","","","1.312","","","","has coordinates,has disorder","223827","2020-10-21","18:00:00",""
"7049779","11.1328","0.0003","14.0956","0.0004","22.0626","0.0007","90","","100.734","0.002","90","","3401.56","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 Cl2 F3 Ir N4 O3 S -","- C37 H24 Cl2 F3 Ir N4 O3 S -","- C148 H96 Cl8 F12 Ir4 N16 O12 S4 -","4","1","","Kinzhalov, Mikhail A.; Eremina, Anzhelika A.; Smirnov, Andrey S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu; Luzyanin, Konstantin V.","Cleavage of acyclic diaminocarbene ligands at an iridium(iii) center. Recognition of a new reactivity mode for carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7571","7582","10.1039/c9dt01138b","","","0.71073","MoKα","","0.0449","0.0345","","","0.0683","0.0728","","","","","","1.17","","","","has coordinates","223827","2020-10-21","18:00:00",""
"7049780","11.3436","0.0007","22.3709","0.001","13.9967","0.0008","90","","94.676","0.006","90","","3540.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Cl2 F3 Ir N5 O3 S -","- C37 H25 Cl2 F3 Ir N5 O3 S -","- C148 H100 Cl8 F12 Ir4 N20 O12 S4 -","4","1","","Kinzhalov, Mikhail A.; Eremina, Anzhelika A.; Smirnov, Andrey S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu; Luzyanin, Konstantin V.","Cleavage of acyclic diaminocarbene ligands at an iridium(iii) center. Recognition of a new reactivity mode for carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7571","7582","10.1039/c9dt01138b","","","0.71073","MoKα","","0.0867","0.0714","","","0.1589","0.1687","","","","","","1.137","","","","has coordinates,has disorder","223827","2020-10-21","18:00:00",""
"7049781","14.0167","0.0003","12.4881","0.0002","19.1229","0.0003","90","","105.766","0.0019","90","","3221.38","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Br Cl3 Ir N5 -","- C31 H24 Br Cl3 Ir N5 -","- C124 H96 Br4 Cl12 Ir4 N20 -","4","1","","Kinzhalov, Mikhail A.; Eremina, Anzhelika A.; Smirnov, Andrey S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu; Luzyanin, Konstantin V.","Cleavage of acyclic diaminocarbene ligands at an iridium(iii) center. Recognition of a new reactivity mode for carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7571","7582","10.1039/c9dt01138b","","x-ray","1.54184","CuKα","","0.0601","0.0514","","","0.1331","0.1427","","","","","","1.03","","","","has coordinates,has disorder","223827","2020-10-21","18:00:00",""
"7049782","10.2504","0.0006","13.7475","0.0007","16.1283","0.001","106.468","0.003","95.196","0.003","105.201","0.003","2069.6","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Cl2 N4 O2 -","- C54 H40 Cl2 N4 O2 -","- C108 H80 Cl4 N8 O4 -","2","1","","Dela Cruz, Jay-Ar B; Ruamps, Mirko; Arco, Susan; Hung, Chen-Hsiung","Ni and Pd N-confused porphyrin complexes as catalysts for the synthesis of cyclic carbonates from epoxides and CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7527","7531","10.1039/c9dt00104b","","","0.71073","MoKα","","0.0942","0.0645","","","0.1678","0.1866","","","","","","1.047","","","","has coordinates","223819","2020-10-21","18:00:00",""
"7049783","13.2691","0.0017","13.5223","0.0017","18.225","0.002","100.859","0.002","90.596","0.002","103.453","0.002","3118.4","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H122 Cl2 P8 Ru2 -","- C140 H122 Cl2 P8 Ru2 -","- C140 H122 Cl2 P8 Ru2 -","1","0.5","","Oyama, Yousuke; Kawano, Reo; Tanaka, Yuya; Akita, Munetaka","Dinuclear ruthenium acetylide complexes with diethynylated anthrahydroquinone and anthraquinone frameworks: a multi-stimuli-responsive organometallic switch.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7432","7441","10.1039/c9dt01255a","","","0.71073","MoKα","","0.0775","0.0469","","","0.1224","0.1375","","","","","","1.0185","","","","has coordinates","224450","2020-10-21","18:00:00",""
"7049784","28.758","0.005","12.1471","0.0019","18.658","0.003","90","","96.383","0.002","90","","6477.3","1.8","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H122 P8 Ru2 Si2 -","- C136 H122 P8 Ru2 Si2 -","- C272 H244 P16 Ru4 Si4 -","2","0.5","","Oyama, Yousuke; Kawano, Reo; Tanaka, Yuya; Akita, Munetaka","Dinuclear ruthenium acetylide complexes with diethynylated anthrahydroquinone and anthraquinone frameworks: a multi-stimuli-responsive organometallic switch.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7432","7441","10.1039/c9dt01255a","","","0.71073","MoKα","","0.0997","0.0454","","","0.1006","0.1189","","","","","","0.987","","","","has coordinates,has disorder","224450","2020-10-21","18:00:00",""
"7049785","6.379","0.002","13.613","0.003","22.304","0.007","90","","94.76","0.013","90","","1930.1","1","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Al N3 Si2 -","- C13 H28 Al N3 Si2 -","- C52 H112 Al4 N12 Si8 -","4","1","","Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7442","7450","10.1039/c8dt05105d","","","0.71073","MoKα","","0.0801","0.0651","","","0.1657","0.1857","","","","","","1.149","","","","has coordinates","224461","2020-10-21","18:00:00",""
"7049786","17.001","0.003","20.578","0.004","14.373","0.002","90","","90","","90","","5028.3","1.5","100","0.2","100","0.2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16.5 H31.5 Al N4.5 Si3 -","- C16.5 H31.5 Al N4.5 Si3 -","- C132 H252 Al8 N36 Si24 -","8","1","","Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7442","7450","10.1039/c8dt05105d","","","0.71075","MoKα","","0.1139","0.0711","","","0.1331","0.1635","","","","","","0.987","","","","has coordinates","224461","2020-10-21","18:00:00",""
"7049787","18.013","0.007","14.239","0.006","15.42","0.006","90","","90","","90","","3955","3","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H57 Al3 N6 Si4 -","- C27 H57 Al3 N6 Si4 -","- C108 H228 Al12 N24 Si16 -","4","0.5","","Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7442","7450","10.1039/c8dt05105d","","","0.71073","MoKα","","0.091","0.0669","","","0.1791","0.2081","","","","","","1.069","","","","has coordinates,has disorder","224461","2020-10-21","18:00:00",""
"7049788","12.1076","0.0008","11.8845","0.0008","24.8155","0.0018","90","","94.202","0.004","90","","3561.2","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 Al N6 Si4 -","- C26 H54 Al N6 Si4 -","- C104 H216 Al4 N24 Si16 -","4","1","","Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7442","7450","10.1039/c8dt05105d","","","0.71075","MoKα","","0.0687","0.0554","","","0.137","0.1491","","","","","","1.098","","","","has coordinates","224461","2020-10-21","18:00:00",""
"7049789","12.9702","0.0002","16.631","0.0004","17.7573","0.0005","85.814","0.002","81.7216","0.0018","81.2409","0.0016","3741.15","0.15","150.01","0.11","150.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C69.75 H71 B2 Cl0.5 F24 N4 Rh -","- C69.75 H71 B2 Cl0.5 F24 N4 Rh -","- C139.5 H142 B4 Cl F48 N8 Rh2 -","2","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.0524","0.0465","","","0.1218","0.1278","","","","","","1.042","","","","has coordinates,has disorder","224059","2020-10-21","18:00:00",""
"7049790","9.81","0.0001","14.674","0.0002","12.8614","0.0002","90","","108.758","0.002","90","","1753.09","0.05","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H43 Ag F3 N3 O3 S -","- C34 H43 Ag F3 N3 O3 S -","- C68 H86 Ag2 F6 N6 O6 S2 -","2","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.0296","0.0285","","","0.0748","0.0759","","","","","","1.018","","","","has coordinates","224059","2020-10-21","18:00:00",""
"7049791","17.4613","0.0002","17.6877","0.0001","24.9895","0.0002","90","","107.062","0.001","90","","7378.33","0.12","150.01","0.12","150.01","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 Ag B F24 N4 -","- C72 H70 Ag B F24 N4 -","- C288 H280 Ag4 B4 F96 N16 -","4","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.0526","0.0465","","","0.126","0.1323","","","","","","1.031","","","","has coordinates,has disorder","224059","2020-10-21","18:00:00",""
"7049792","12.0498","0.0003","19.1965","0.0004","29.6386","0.0007","88.484","0.002","87.353","0.002","80.481","0.002","6753","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C263 H227 Ag4 B4 F96 N12 -","- C263 H227 Ag4 B4 F96 N12 -","- C263 H227 Ag4 B4 F96 N12 -","1","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.052","0.0442","","","0.1127","0.12","","","","","","1.022","","","","has coordinates,has disorder","224059","2020-10-21","18:00:00",""
"7049793","14.4114","0.0002","15.6413","0.0003","16.8798","0.0003","88.4148","0.0013","74.0062","0.0014","78.2248","0.0014","3579.02","0.11","150","0.14","150","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C68 H67 Ag B2 F24 N4 -","- C68 H67 Ag B2 F24 N4 -","- C136 H134 Ag2 B4 F48 N8 -","2","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.0334","0.0317","","","0.0833","0.0847","","","","","","1.041","","","","has coordinates,has disorder","224059","2020-10-21","18:00:00",""
"7049794","17.49982","0.00019","18.08188","0.00017","24.0311","0.0003","90","","106.971","0.0011","90","","7273.03","0.14","150.04","0.18","150.04","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 B F24 N4 Rh -","- C72 H70 B F24 N4 Rh -","- C288 H280 B4 F96 N16 Rh4 -","4","1","","Johnson, Alice; Martínez-Martínez, Antonio J; Macgregor, Stuart A.; Weller, Andrew S.","A d<sup>10</sup> Ag(i) amine-borane σ-complex and comparison with a d<sup>8</sup> Rh(i) analogue: structures on the η<sup>1</sup> to η<sup>2</sup>:η<sup>2</sup> continuum.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9776","9781","10.1039/c9dt00971j","","x-ray","1.54184","CuKα","","0.0657","0.0475","","","0.1223","0.1369","","","","","","1.024","","","","has coordinates,has disorder","224059","2020-10-21","18:00:00",""
"7049795","20.9896","0.0014","12.6767","0.0009","23.7412","0.0016","90","","90","","90","","6317","0.7","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H52 Mn4 N13 O16 -","- C66 H52 Mn4 N13 O16 -","- C264 H208 Mn16 N52 O64 -","4","1","","Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar","Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7766","7777","10.1039/c9dt01041f","","","0.71073","MoKα","","0.1608","0.0617","","","0.0925","0.1166","","","","","","1.004","","","","has coordinates,has disorder","223830","2020-10-21","18:00:00",""
"7049796","17.691","0.003","25.597","0.004","14.797","0.002","90","","105.578","0.005","90","","6454.5","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cl3 Cu4 N12 O16 -","- C65 H53 Cl3 Cu4 N12 O16 -","- C260 H212 Cl12 Cu16 N48 O64 -","4","1","","Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar","Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7766","7777","10.1039/c9dt01041f","","","0.71073","MoKα","","0.0835","0.0422","","","0.095","0.1101","","","","","","1","","","","has coordinates","223830","2020-10-21","18:00:00",""
"7049797","25.877","0.0014","12.4849","0.0006","20.9258","0.0011","90","","112.903","0.002","90","","6227.6","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H52 N12 O16 Zn4 -","- C64 H52 N12 O16 Zn4 -","- C256 H208 N48 O64 Zn16 -","4","0.5","","Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar","Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7766","7777","10.1039/c9dt01041f","","","0.71073","MoKα","","0.132","0.0528","","","0.1249","0.1585","","","","","","0.963","","","","has coordinates","223830","2020-10-21","18:00:00",""
"7049798","17.5451","0.0011","25.8075","0.0016","14.7655","0.0009","90","","105.727","0.002","90","","6435.5","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cl3 Co4 N12 O16 -","- C65 H53 Cl3 Co4 N12 O16 -","- C260 H212 Cl12 Co16 N48 O64 -","4","1","","Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar","Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7766","7777","10.1039/c9dt01041f","","","0.71073","MoKα","","0.0874","0.051","","","0.1494","0.1684","","","","","","1.149","","","","has coordinates","223830","2020-10-21","18:00:00",""
"7049799","8.2405","0.0007","23.652","0.002","20.2737","0.0018","90","","93.404","0.002","90","","3944.5","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 F6 Ir N4 O2 P S2 -","- C44 H30 F6.006 Ir N4 O2 P S2 -","- C176 H120 F24.024 Ir4 N16 O8 P4 S8 -","4","1","","Su, Ning; Zheng, You-Xuan","Four-membered red iridium(iii) complexes with Ir-S-P-S structures: rapid room-temperature synthesis and application in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7583","7588","10.1039/c9dt01270b","","","0.71073","MoKα","","0.0571","0.0436","","","0.0918","0.0971","","","","","","0.996","","","","has coordinates,has disorder","223839","2020-10-21","18:00:00",""
"7049800","15.5699","0.0006","13.6495","0.0005","28.6384","0.0012","90","","90","","90","","6086.3","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","complex 3b","","- C31 H32 N8 O5 Pt -","- C31 H32 N8 O5 Pt -","- C248 H256 N64 O40 Pt8 -","8","1","","Yao, Kezi; Bertran, Arnau; Morgan, Jacques; Hare, Samuel M.; Rees, Nicholas H.; Kenwright, Alan M.; Edkins, Katharina; Bowen, Alice M.; Farrer, Nicola J.","A novel Pt(iv) mono azido mono triazolato complex evolves azidyl radicals following irradiation with visible light.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6416","6420","10.1039/c9dt01156k","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0735","0.0779","","","","","","1.116","","","","has coordinates","224168","2020-10-21","18:00:00",""
"7049801","10.365","0.004","14.192","0.006","17.735","0.006","99.343","0.019","99.031","0.019","98.17","0.02","2504.4","1.7","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H46 Ag B Cl2 F4 N2 O3 P2 -","- C52 H46 Ag B Cl2 F4 N2 O3 P2 -","- C104 H92 Ag2 B2 Cl4 F8 N4 O6 P4 -","2","1","","Carbonell-Vilar, José M; Fresta, Elisa; Armentano, Donatella; Costa, Rubén D; Viciano-Chumillas, Marta; Cano, Joan","Photoluminescent Cu(i) vs. Ag(i) complexes: slowing down emission in Cu(i) complexes by pentacoordinate low-lying excited states.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9765","9775","10.1039/c9dt00772e","","","0.71073","MoKα","","0.0714","0.0444","","","0.0999","0.1117","","","","","","1.016","","","","has coordinates,has disorder","224071","2020-10-21","18:00:00",""
"7049802","12.9148","0.0013","22.857","0.002","23.15","0.002","90","","98.891","0.002","90","","6751.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H90 Cl3 Fe3 N6 O3 -","- C72 H90 Cl3 Fe3 N6 O3 -","- C288 H360 Cl12 Fe12 N24 O12 -","4","1","","Hong, Dae Ho; Knight, Brian J.; Catalano, Vincent J.; Murray, Leslie J.","Isolation of chloride- and hydride-bridged tri-iron and -zinc clusters in a tris(β-oxo-δ-diimine) cyclophane ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9570","9575","10.1039/c9dt00799g","","","0.71073","MoKα","","0.1764","0.0829","","","0.1434","0.1646","","","","","","1.012","","","","has coordinates","224067","2020-10-21","18:00:00",""
"7049803","13.3369","0.0017","15.7191","0.0013","21.9895","0.0019","97.314","0.007","93.293","0.009","100.392","0.009","4482.2","0.8","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H101 F9 Gd N22 O9.5 S3 -","- C76 H101 F9 Gd N22 O9.5 S3 -","- C152 H202 F18 Gd2 N44 O19 S6 -","2","1","","Ayabe, Takanari; Costes, Jean-Pierre; Vendier, Laure; Geist, Andreas; Takeda, Masuo; Takahashi, Masashi","Contribution of <sup>155</sup>Gd Mössbauer data to the study of the magnetic interaction in heterodinuclear 3d-Gd (3d = Cu, Ni) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6872","6878","10.1039/c9dt01336a","","","","MoKα","","0.1054","0.0583","","","0.118","0.1312","","","","","","0.894","","","","has coordinates,has disorder","224225","2020-10-21","18:00:00",""
"7049804","30.6564","0.0016","30.6564","0.0016","30.6564","0.0016","90","","90","","90","","28811","3","210","2","210","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C30.5 H34.5 Cu4 N7.5 O1.5 S4 W -","- C26 H24 Cu4 N6 S4 W -","- C624 H576 Cu96 N144 S96 W24 -","24","0.25","","Liu, Meng-Di; Abrahams, Brendan F.; Ren, Zhi-Gang; Lang, Jian-Ping","A 3D [WS<sub>4</sub>Cu<sub>4</sub>]<sup>2+</sup> cluster-based material with high iodine uptake capability.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6695","6699","10.1039/c9dt01301f","","","0.71073","MoKα","","0.1081","0.0753","","","0.1945","0.2442","","","","","","1.116","","","","has coordinates,has disorder","224227","2020-10-21","18:00:00",""
"7049805","8.1655","0.0008","9.6294","0.001","11.0077","0.0011","89.562","0.002","73.083","0.001","70.719","0.001","777.87","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N4 S2 U -","- C30 H38 N4 S2 U -","- C30 H38 N4 S2 U -","1","0.5","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0159","0.0159","","","0.0381","0.0382","","","","","","1.085","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049806","8.3876","0.0011","9.8459","0.0013","11.1701","0.0014","87.084","0.006","73.083","0.006","69.599","0.006","825.87","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N4 Te2 U -","- C30 H38 N4 Te2 U -","- C30 H38 N4 Te2 U -","1","0.5","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0188","0.0178","","","0.0421","0.0427","","","","","","1.054","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049807","15.8483","0.0016","20.707","0.002","26.01","0.003","90","","90","","90","","8535.7","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C89.5 H119 N7 U -","- C89.5 H119 N7 U -","- C358 H476 N28 U4 -","4","1","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0538","0.0433","","","0.1024","0.108","","","","","","1.026","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049808","10.79","0.002","22.803","0.005","21.399","0.005","90","","99.345","0.002","90","","5195.2","1.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47.98 H69 Li2 N2 O4 S4 U -","- C47.986 H69 Li2 N2 O4 S4 U -","- C191.944 H276 Li8 N8 O16 S16 U4 -","4","1","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0918","0.0486","","","0.0971","0.1124","","","","","","0.999","","","","has coordinates,has disorder","223753","2020-10-21","18:00:00",""
"7049809","8.8361","0.0008","16.793","0.0014","14.5778","0.0012","90","","96.45","0.003","90","","2149.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N4 Se2 U -","- C46 H54 N4 Se2 U -","- C92 H108 N8 Se4 U2 -","2","0.5","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0145","0.013","","","0.0343","0.0349","","","","","","1.061","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049810","12.6118","0.001","18.0426","0.0015","13.8368","0.0011","90","","98.635","0.001","90","","3112.9","0.4","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 Li2 N2 O4 S4 U -","- C64 H86 Li2 N2 O4 S4 U -","- C128 H172 Li4 N4 O8 S8 U2 -","2","0.5","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.04","0.0236","","","0.0467","0.0495","","","","","","1.372","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049811","12.2409","0.0016","26.166","0.003","10.0543","0.0013","90","","103.477","0.001","90","","3131.7","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 N2 Na2 O4 Te4 U -","- C48 H70 N2 Na2 O4 Te4 U -","- C96 H140 N4 Na4 O8 Te8 U2 -","2","0.5","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0385","0.0333","","","0.064","0.0651","","","","","","1.192","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049812","10.6946","0.0005","12.6058","0.0006","15.0981","0.0007","96.063","0.003","108.146","0.003","110.295","0.003","1761.24","0.16","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Co N4 O4 S2 -","- C34 H42 Co N4 O4 S2 -","- C68 H84 Co2 N8 O8 S4 -","2","1","","Wu, Tao; Zhai, Yuan-Qi; Deng, Yi-Fei; Chen, Wei-Peng; Zhang, Tao; Zheng, Yan-Zhen","Correlating magnetic anisotropy with the subtle coordination geometry variation of a series of cobalt(ii)-sulfonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15419","15426","10.1039/c9dt01296f","","","0.71073","MoKα","","0.0617","0.0389","","","0.0917","0.1014","","","","","","1.028","","","","has coordinates","223907","2020-10-21","18:00:00",""
"7049813","26.3121","0.0009","6.77","0.0002","16.7692","0.0007","90","","102.255","0.003","90","","2919.08","0.18","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Co N4 O4 S2 -","- C30 H40 Co N4 O4 S2 -","- C120 H160 Co4 N16 O16 S8 -","4","0.5","","Wu, Tao; Zhai, Yuan-Qi; Deng, Yi-Fei; Chen, Wei-Peng; Zhang, Tao; Zheng, Yan-Zhen","Correlating magnetic anisotropy with the subtle coordination geometry variation of a series of cobalt(ii)-sulfonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15419","15426","10.1039/c9dt01296f","","x-ray","1.54178","CuKα","","0.0466","0.0457","","","0.131","0.1322","","","","","","1.044","","","","has coordinates","223907","2020-10-21","18:00:00",""
"7049814","15.8779","0.0004","10.3508","0.0004","19.6797","0.0008","90","","99.798","0.002","90","","3187.2","0.2","273","2","273.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H38 Co N4 O4 S2 -","- C32 H38 Co N4 O4 S2 -","- C128 H152 Co4 N16 O16 S8 -","4","1","","Wu, Tao; Zhai, Yuan-Qi; Deng, Yi-Fei; Chen, Wei-Peng; Zhang, Tao; Zheng, Yan-Zhen","Correlating magnetic anisotropy with the subtle coordination geometry variation of a series of cobalt(ii)-sulfonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15419","15426","10.1039/c9dt01296f","","","0.71073","MoKα","","0.0255","0.0236","","","0.0555","0.0563","","","","","","0.975","","","","has coordinates","223907","2020-10-21","18:00:00",""
"7049815","17.1468","0.0005","9.9155","0.0002","17.9855","0.0005","90","","106.784","0.003","90","","2927.61","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Co N4 O4 S2 -","- C32 H26 Co N4 O4 S2 -","- C128 H104 Co4 N16 O16 S8 -","4","0.5","","Wu, Tao; Zhai, Yuan-Qi; Deng, Yi-Fei; Chen, Wei-Peng; Zhang, Tao; Zheng, Yan-Zhen","Correlating magnetic anisotropy with the subtle coordination geometry variation of a series of cobalt(ii)-sulfonamide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15419","15426","10.1039/c9dt01296f","","","1.54178","CuKα","","0.0711","0.0671","","","0.1949","0.1976","","","","","","1.163","","","","has coordinates","223907","2020-10-21","18:00:00",""
"7049816","16.0136","0.0004","16.3827","0.0004","20.3288","0.0005","67.641","0.001","88.941","0.001","62.375","0.001","4288.04","0.19","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C179.09 H166.18 Cl0.61 Co2 K2 N18 O5.7 P12 S12 -","- C179.088 H166.175 Cl0.6072 Co2 K2 N18 O5.696 P12 S12 -","- C179.088 H166.175 Cl0.6072 Co2 K2 N18 O5.696 P12 S12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.033","0.0304","","","0.0745","0.0758","","","","","","1.045","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049817","16.1384","0.0008","16.388","0.0008","20.6","0.0011","67.7161","0.0008","89.7051","0.0009","62.518","0.0007","4375.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0796","0.0704","","","0.1417","0.1454","","","","","","1.186","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049818","16.099","0.001","16.713","0.001","20.6239","0.0012","84.1575","0.0013","73.4498","0.0012","79.8242","0.0013","5227.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C105.55 H115.1 N10 Ni2 O9.89 P6 S6 -","- C105.552 H115.104 N10 Ni2 O9.888 P6 S6 -","- C211.104 H230.208 N20 Ni4 O19.776 P12 S12 -","2","1","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0511","0.0382","","","0.0872","0.0936","","","","","","1.021","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049819","15.9889","0.0006","16.2392","0.0006","20.4481","0.0007","67.523","0.001","89.428","0.001","62.557","0.001","4263.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C179.35 H166.7 Cl0.43 K2 N18 Ni2 O5.78 P12 S12 -","- C179.352 H166.704 Cl0.432 K2 N18 Ni2 O5.784 P12 S12 -","- C179.352 H166.704 Cl0.432 K2 N18 Ni2 O5.784 P12 S12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0502","0.044","","","0.1003","0.1029","","","","","","1.115","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049820","16.1143","0.0003","16.3352","0.0003","20.6585","0.0004","67.608","0.001","89.713","0.001","62.413","0.001","4357.72","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H168 K2 N18 Ni2 O6 P12 Se12 -","- C180 H168 K2 N18 Ni2 O6 P12 Se12 -","- C180 H168 K2 N18 Ni2 O6 P12 Se12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.056","0.0365","","","0.0714","0.0774","","","","","","1.019","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049821","27.9452","0.0006","10.2398","0.0002","24.6315","0.0009","90","","122.671","0.0007","90","","5933.2","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cl4 Mo2 N6 O5 P4 S4 -","- C54 H44 Cl4 Mo2 N6 O5 P4 S4 -","- C216 H176 Cl16 Mo8 N24 O20 P16 S16 -","4","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0234","0.022","","","0.0564","0.0574","","","","","","1.065","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049822","16.1262","0.0006","16.3809","0.0006","20.5889","0.0007","67.647","0.001","89.772","0.001","62.696","0.001","4372.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0588","0.0399","","","0.0817","0.088","","","","","","1.02","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049823","16.128","0.004","16.427","0.004","20.759","0.005","67.734","0.004","89.76","0.005","62.594","0.004","4420.4","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H168 Co2 K2 N18 O6 P12 S12 -","- C180 H168 Co2 K2 N18 O6 P12 S12 -","- C180 H168 Co2 K2 N18 O6 P12 S12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0393","0.0342","","","0.095","0.1","","","","","","1.022","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049824","16.0347","0.0005","17.7231","0.0006","19.7522","0.0006","81.0699","0.0006","78.5117","0.0006","81.7524","0.0006","5397.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C108.9 H100.79 Cl4.74 Cu N9 Ni O2.63 P7 S6 -","- C108.897 H100.794 Cl4.738 Cu N9 Ni O2.632 P7 S6 -","- C217.794 H201.588 Cl9.476 Cu2 N18 Ni2 O5.264 P14 S12 -","2","1","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0533","0.039","","","0.0932","0.1007","","","","","","1.023","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049825","16.2092","0.0015","16.4743","0.0016","20.887","0.002","67.8293","0.0016","90.0911","0.0017","62.7076","0.0015","4485.7","0.7","250","2","250","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","- C180 H168 Co2 K2 N18 O6 P12 Se12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.043","0.0334","","","0.0858","0.0914","","","","","","0.995","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049826","16.0185","0.0016","16.1962","0.0016","20.537","0.002","67.0861","0.0016","89.5626","0.0018","63.0038","0.0016","4279.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H168 Co2 K2 N18 O6 P12 S12 -","- C180 H168 Co2 K2 N18 O6 P12 S12 -","- C180 H168 Co2 K2 N18 O6 P12 S12 -","1","0.5","","Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica","Metal-directed self-assembly of transition metal heterometallascorpionates.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6571","6580","10.1039/c9dt00683d","","","0.71073","MoKα","","0.0596","0.0545","","","0.1324","0.1356","","","","","","1.092","","","","has coordinates,has disorder","224184","2020-10-21","18:00:00",""
"7049827","7.1858","0.0005","7.655","0.0007","15.5113","0.0014","103.28","0.003","101.295","0.006","93.609","0.006","809.11","0.12","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C10 H14 Au F3 N5 O2 P -","- C10 H14 Au F3 N5 O2 P -","- C20 H28 Au2 F6 N10 O4 P2 -","2","1","","Blasco, Daniel; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Rodríguez-Castillo, María","Balancing ionic and H-bonding interactions for the formation of Au(i) hydrometallogels.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7519","7526","10.1039/c9dt01154d","","x-ray","0.71073","MoKα","","0.0578","0.051","","","0.1317","0.1371","","","","","","1.105","","","","has coordinates","223821","2020-10-21","18:00:00",""
"7049828","11.0044","0.0016","11.0516","0.0017","16.852","0.003","72.019","0.005","77.447","0.005","60.876","0.004","1697.4","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Br4 N12 O32 P6 Pt3 -","- C36 H48 Br4 N12 O32 P6 Pt3 -","- C36 H48 Br4 N12 O32 P6 Pt3 -","1","0.5","","Afrin, Unjila; Iguchi, Hiroaki; Mian, Mohammad Rasel; Takaishi, Shinya; Yamakawa, Hiromichi; Terashige, Tsubasa; Miyamoto, Tatsuya; Okamoto, Hiroshi; Yamashita, Masahiro","MX-type single chain complexes with an aromatic in-plane ligand: incorporation of aromatic interactions for stabilizing the chain structure.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7828","7834","10.1039/c9dt00784a","","","0.71073","MoKα","","0.1392","0.0754","","","0.1626","0.187","","","","","","1.022","","","","has coordinates,has disorder","223832","2020-10-21","18:00:00",""
"7049829","6.9135","0.0005","7.2643","0.0005","8.2243","0.0006","110.754","0.0012","100.165","0.0014","99.2081","0.0014","368.89","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br2 N4 Pt -","- C12 H16 Br2 N4 Pt -","- C12 H16 Br2 N4 Pt -","1","0.5","","Afrin, Unjila; Iguchi, Hiroaki; Mian, Mohammad Rasel; Takaishi, Shinya; Yamakawa, Hiromichi; Terashige, Tsubasa; Miyamoto, Tatsuya; Okamoto, Hiroshi; Yamashita, Masahiro","MX-type single chain complexes with an aromatic in-plane ligand: incorporation of aromatic interactions for stabilizing the chain structure.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7828","7834","10.1039/c9dt00784a","","","0.71073","MoKα","","0.026","0.0257","","","0.0503","0.0506","","","","","","1.057","","","","has coordinates","223832","2020-10-21","18:00:00",""
"7049830","7.0635","0.0008","8.3027","0.0009","17.0426","0.0018","90","","98.909","0.0019","90","","987.42","0.19","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H20 Br4 N4 O2 Pt -","- C12 H20 Br4 N4 O2 Pt -","- C24 H40 Br8 N8 O4 Pt2 -","2","1","","Afrin, Unjila; Iguchi, Hiroaki; Mian, Mohammad Rasel; Takaishi, Shinya; Yamakawa, Hiromichi; Terashige, Tsubasa; Miyamoto, Tatsuya; Okamoto, Hiroshi; Yamashita, Masahiro","MX-type single chain complexes with an aromatic in-plane ligand: incorporation of aromatic interactions for stabilizing the chain structure.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7828","7834","10.1039/c9dt00784a","","","0.71073","MoKα","","0.0532","0.035","","","0.0565","0.0608","","","","","","0.9","","","","has coordinates","223832","2020-10-21","18:00:00",""
"7049831","11.1877","0.0005","18.4105","0.0007","16.9085","0.0007","90","","108.824","0.001","90","","3296.4","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 Br4 N12 O29 Pt3 S4 -","- C36 H62 Br4 N12 O29 Pt3 S4 -","- C72 H124 Br8 N24 O58 Pt6 S8 -","2","0.5","","Afrin, Unjila; Iguchi, Hiroaki; Mian, Mohammad Rasel; Takaishi, Shinya; Yamakawa, Hiromichi; Terashige, Tsubasa; Miyamoto, Tatsuya; Okamoto, Hiroshi; Yamashita, Masahiro","MX-type single chain complexes with an aromatic in-plane ligand: incorporation of aromatic interactions for stabilizing the chain structure.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7828","7834","10.1039/c9dt00784a","","","0.71073","MoKα","","0.0967","0.0435","","","0.0765","0.0915","","","","","","1.024","","","","has coordinates","223832","2020-10-21","18:00:00",""
"7049832","13.5338","0.0004","16.2852","0.0004","28.7574","0.0008","90","","90","","90","","6338.1","0.3","173","2","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H66 Cl2 F6 P6 Ru Si -","- C66 H66 Cl2 F6 P6 Ru Si -","- C264 H264 Cl8 F24 P24 Ru4 Si4 -","4","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","1.54184","CuKα","","0.0707","0.0575","","","0.1594","0.1763","","","","","","1.118","","","","has coordinates","224435","2020-10-21","18:00:00",""
"7049833","11.1652","0.0005","15.8226","0.0006","17.5577","0.0005","98.356","0.003","93.032","0.003","104.248","0.003","2961.7","0.2","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H64 F P5 Ru -","- C73 H64 F P5 Ru -","- C146 H128 F2 P10 Ru2 -","2","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","1.54184","CuKα","","0.0464","0.036","","","0.0875","0.0917","","","","","","0.969","","","","has coordinates","224435","2020-10-21","18:00:00",""
"7049834","13.4662","0.0003","16.1621","0.0004","28.4939","0.0007","90","","90","","90","","6201.5","0.3","173","2","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H63 Cl2 F7 P6 Ru Si -","- C65 H63 Cl2 F7 P6 Ru Si -","- C260 H252 Cl8 F28 P24 Ru4 Si4 -","4","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","0.71073","MoKα","","0.0392","0.0344","","","0.079","0.0818","","","","","","1.05","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7049835","10.3386","0.0005","13.4556","0.0008","26.1086","0.0013","82.979","0.004","81.078","0.004","67.587","0.005","3309.1","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 O2 P5 Ru -","- C78 H72 O2 P5 Ru -","- C156 H144 O4 P10 Ru2 -","2","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","1.54184","CuKα","","0.0721","0.0565","","","0.1446","0.1517","","","","","","1.049","","","","has coordinates,has disorder","224435","2020-10-21","18:00:00",""
"7049836","9.2841","0.0004","24.8606","0.0011","26.8008","0.0012","110.85","0.004","90.296","0.004","93.812","0.004","5765.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C138 H122 O4 P10 Ru2 -","- C138 H122 O4 P10 Ru2 -","- C276 H244 O8 P20 Ru4 -","2","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","1.54184","CuKα","","0.146","0.1013","","","0.2511","0.3048","","","","","","1.0374","","","","has coordinates","224435","2020-10-21","18:00:00",""
"7049837","10.714","0.005","11.548","0.005","18.589","0.009","84.351","0.007","89.354","0.006","89.921","0.005","2288.6","1.8","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-pheno-lato-N,O]-oxo-rhenium(V)","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-pheno-lato-N,O]-oxo-rhenium(V)","","- C22 H24 Cl N2 O5 Re -","- C22 H24 Cl N2 O5 Re -","- C88 H96 Cl4 N8 O20 Re4 -","4","2","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0561","0.0487","","","0.1159","0.1195","","","","","","1.106","","","","has coordinates,has disorder","224425","2020-10-21","18:00:00",""
"7049838","10.3673","0.0017","17.062","0.003","17.831","0.003","90","","91.518","0.008","90","","3153","0.9","100","2","100","2","","","","","","","synthetical product","6","P 1 21 1","P 2yb","4","","","","- C27 H48 Cl3 N2 O3 Re -","- C27 H48 Cl3 N2 O3 Re -","- C108 H192 Cl12 N8 O12 Re4 -","4","2","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0549","0.0464","","","0.1169","0.1203","","","","","","1.04","","","","has coordinates","224425","2020-10-21","18:00:00",""
"7049839","9.9571","0.0003","11.4206","0.0004","21.6403","0.0006","90","","91.0099","0.0011","90","","2460.47","0.13","100","2","100","2","","","","","","","synthetical product","6","P 1 n 1","P -2yac","7","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenolato]-oxo-rhenium(V)","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenolato]-oxo-rhenium(V)","","- C24 H28 Cl N2 O7 Re -","- C24 H28 Cl N2 O7 Re -","- C96 H112 Cl4 N8 O28 Re4 -","4","2","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0253","0.0233","","","0.0477","0.0487","","","","","","1.042","","","","has coordinates,has disorder","224425","2020-10-21","18:00:00",""
"7049840","21.9023","0.0014","10.7081","0.0007","23.4319","0.0016","90","","90","","90","","5495.5","0.6","100","2","100","2","","","","","","","synthetical product","6","P c c n","-P 2ab 2ac","56","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophe-nolato-N,O]-oxo-rhenium(V)","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophe-nolato-N,O]-oxo-rhenium(V)","","- C22 H22 Cl N4 O9 Re -","- C22 H22 Cl N4 O9 Re -","- C176 H176 Cl8 N32 O72 Re8 -","8","1","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0426","0.0356","","","0.1001","0.1026","","","","","","1.087","","","","has coordinates,has disorder","224425","2020-10-21","18:00:00",""
"7049841","22.2603","0.0007","9.1943","0.0003","16.4089","0.0005","90","","90","","90","","3358.37","0.18","100","2","100","2","","","","","","","synthetical product","6","P c a 21","P 2c -2ac","29","tetra(n-butyl)ammonium trichloro-[2-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)-6-methoxyphenolato-N,O]-oxo-rhenate(V)","tetra(n-butyl)ammonium trichloro-[2-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)-6-methoxyphenolato-N,O]-oxo-rhenate(V)","","- C28 H50 Cl3 N2 O4 Re -","- C28 H50 Cl3 N2 O4 Re -","- C112 H200 Cl12 N8 O16 Re4 -","4","1","","Schachner, J. A.; Berner, B.; Belaj, F.; Mösch-Zanetti, N C","Stereoisomers and functional groups in oxidorhenium(v) complexes: effects on catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8106","8115","10.1039/c9dt01352k","","","0.71073","MoKα","","0.0177","0.0154","","","0.0354","0.0361","","","","","","1.021","","","","has coordinates","224425","2020-10-21","18:00:00",""
"7049842","8.9041","0.0002","13.2669","0.0003","26.97","0.0006","90","","90","","90","","3185.96","0.12","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H29 F3 Mn N3 O4 -","- C9.008 H29 F3 Mn N3 O4 -","- C72.064 H232 F24 Mn8 N24 O32 -","8","1","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71075","MoKα","","0.0691","0.0663","","","0.116","0.117","","","","","","1.41","","","","has coordinates,has disorder","224226","2020-10-21","18:00:00",""
"7049843","8.74923","0.00007","13.14407","0.00011","26.2569","0.0003","90","","90","","90","","3019.56","0.05","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H28.75 Co F3 N3 O4 -","- C9 H28.75 Co F3 N3 O4 -","- C72 H230 Co8 F24 N24 O32 -","8","1","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71075","MoKα","","0.0586","0.0586","","","0.1427","0.1427","","","","","","1.38","","","","has coordinates,has disorder","224226","2020-10-21","18:00:00",""
"7049844","9.5216","0.0003","12.4903","0.0004","29.8518","0.0009","90","","90","","90","","3550.2","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 F3 Fe N3 O2 -","- C15 H29 F3 Fe N3 O2 -","- C120 H232 F24 Fe8 N24 O16 -","8","2","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71073","MoKα","","0.034","0.0298","","","0.0562","0.0573","","","","","","1.07","","","","has coordinates","224226","2020-10-21","18:00:00",""
"7049845","8.6981","0.0002","25.5075","0.0005","7.4413","0.0002","90","","102.155","0.002","90","","1613.96","0.07","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 Fe N3 O3 -","- C15 H17 F3 Fe N3 O3 -","- C60 H68 F12 Fe4 N12 O12 -","4","1","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71075","MoKα","","0.0225","0.0206","","","0.0574","0.0583","","","","","","1.062","","","","has coordinates","224226","2020-10-21","18:00:00",""
"7049846","12.2084","0.0006","14.2682","0.0008","15.0075","0.0008","114.423","0.0017","98.0538","0.0017","90.2251","0.0018","2351.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 B2 N4 -","- C60 H52 B2 N4 -","- C120 H104 B4 N8 -","2","1","","Goh, Gillian Kor Hwee; Li, Yongxin; Kinjo, Rei","Oxidative addition of elemental selenium to 1,4,2,5-diazadiborinine.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7514","7518","10.1039/c9dt01081e","","","0.71073","MoKα","","0.1403","0.0665","","","0.1285","0.1683","","","","","","1.036","","","","has coordinates","223826","2020-10-21","18:00:00",""
"7049847","13.734","0.006","14.18","0.005","15.375","0.006","65.974","0.007","75.771","0.009","62.708","0.008","2423.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 B2 N4 Se2 -","- C60 H52 B2 N4 Se2 -","- C120 H104 B4 N8 Se4 -","2","1","","Goh, Gillian Kor Hwee; Li, Yongxin; Kinjo, Rei","Oxidative addition of elemental selenium to 1,4,2,5-diazadiborinine.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7514","7518","10.1039/c9dt01081e","","","0.71073","MoKα","","0.2213","0.0959","","","0.2117","0.2677","","","","","","1.026","","","","has coordinates","223826","2020-10-21","18:00:00",""
"7049848","8.032","0.0002","12.9483","0.0003","13.2734","0.0003","93.741","0.0009","92.4577","0.0008","104.61","0.0009","1330.44","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 B2 Cl2 N4 -","- C66 H58 B2 Cl2 N4 -","- C66 H58 B2 Cl2 N4 -","1","0.5","","Goh, Gillian Kor Hwee; Li, Yongxin; Kinjo, Rei","Oxidative addition of elemental selenium to 1,4,2,5-diazadiborinine.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7514","7518","10.1039/c9dt01081e","","","0.71073","MoKα","","0.0702","0.0468","","","0.0996","0.1121","","","","","","1.026","","","","has coordinates","223826","2020-10-21","18:00:00",""
"7049849","27.5717","0.0009","27.5456","0.0008","13.5609","0.0005","90","","90","","90","","10299.2","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C112 H38 Cs56 N112 O27 S112 U16 -","- C112 H38 Cs56 N112 O27 S112 U16 -","- C112 H38 Cs56 N112 O27 S112 U16 -","1","0.25","","Nuzzo, Stefano; van Leusen, Jan; Twamley, Brendan; Platts, James A.; Kögerler, Paul; Baker, Robert J.","Oxidation of uranium(iv) thiocyanate complexes: cation-cation interactions in mixed-valent uranium coordination chains.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6704","6708","10.1039/c9dt01005j","","x-ray","0.71073","MoKα","","0.0364","0.029","","","0.0558","0.0589","","","","","","1.121","","","","has coordinates,has disorder","224223","2020-10-21","18:00:00",""
"7049850","16.766","0.0007","13.2785","0.0006","44.239","0.002","90","","94.9093","0.0014","90","","9812.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H105 N26 O19 S11 U4 -","- C56 H105 N26 O19 S11 U4 -","- C224 H420 N104 O76 S44 U16 -","4","1","","Nuzzo, Stefano; van Leusen, Jan; Twamley, Brendan; Platts, James A.; Kögerler, Paul; Baker, Robert J.","Oxidation of uranium(iv) thiocyanate complexes: cation-cation interactions in mixed-valent uranium coordination chains.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6704","6708","10.1039/c9dt01005j","","x-ray","0.71073","MoKα","","0.0505","0.0423","","","0.0893","0.092","","","","","","1.229","","","","has coordinates","224223","2020-10-21","18:00:00",""
"7049851","11.0654","0.0009","15.4966","0.0007","14.2383","0.0015","90","","110.339","0.004","90","","2289.3","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","s","PDINdI2(THF)2","","- C47 H59 I2 N3 Nd O2 -","- C47 H59 I2 N3 Nd O2 -","- C94 H118 I4 N6 Nd2 O4 -","2","1","","Galley, Shane S.; Pattenaude, Scott A.; Higgins, Robert F.; Tatebe, Caleb J.; Stanley, Dalton A.; Fanwick, Phillip E.; Zeller, Matthias; Schelter, Eric J.; Bart, Suzanne C.","A reduction series of neodymium supported by pyridine(diimine) ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8021","8025","10.1039/c9dt00679f","","","0.71073","MoKα","","0.047","0.036","","","0.0746","0.0793","","","","","","1.055","","","","has coordinates","224438","2020-10-21","18:00:00",""
"7049852","11.2456","0.0005","15.8225","0.0009","16.9949","0.0007","90","","93.319","0.003","90","","3018.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[PDINd(THF)]2","","- C66 H88 N6 Nd2 O3 -","- C66 H88 N6 Nd2 O3 -","- C132 H176 N12 Nd4 O6 -","2","0.5","","Galley, Shane S.; Pattenaude, Scott A.; Higgins, Robert F.; Tatebe, Caleb J.; Stanley, Dalton A.; Fanwick, Phillip E.; Zeller, Matthias; Schelter, Eric J.; Bart, Suzanne C.","A reduction series of neodymium supported by pyridine(diimine) ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8021","8025","10.1039/c9dt00679f","","","1.54178","CuKα","","0.084","0.0572","","","0.1239","0.1422","","","","","","1.096","","","","has coordinates,has disorder","224438","2020-10-21","18:00:00",""
"7049853","10.8314","0.0007","16.2124","0.0008","20.5519","0.0013","90","","103.408","0.0018","90","","3510.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 I3 N3 Nd O -","- C31 H39 I3 N3 Nd O -","- C124 H156 I12 N12 Nd4 O4 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Higgins, Robert F.; Tatebe, Caleb J.; Stanley, Dalton A.; Fanwick, Phillip E.; Zeller, Matthias; Schelter, Eric J.; Bart, Suzanne C.","A reduction series of neodymium supported by pyridine(diimine) ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8021","8025","10.1039/c9dt00679f","","","0.71073","MoKα","","0.0586","0.0374","","","0.0832","0.0937","","","","","","1.045","","","","has coordinates,has disorder","224438","2020-10-21","18:00:00",""
"7049854","8.8201","0.0008","22.8405","0.00017","18.4822","0.00011","90","","96.758","0.006","90","","3697.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PDINdI(THF)2","","- C35 H47 I N3 Nd O2 -","- C35 H47 I N3 Nd O2 -","- C140 H188 I4 N12 Nd4 O8 -","4","1","","Galley, Shane S.; Pattenaude, Scott A.; Higgins, Robert F.; Tatebe, Caleb J.; Stanley, Dalton A.; Fanwick, Phillip E.; Zeller, Matthias; Schelter, Eric J.; Bart, Suzanne C.","A reduction series of neodymium supported by pyridine(diimine) ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8021","8025","10.1039/c9dt00679f","","","1.54178","CuKα","","0.1313","0.0996","","","0.2616","0.2971","","","","","","1.074","","","","has coordinates,has disorder","224438","2020-10-21","18:00:00",""
"7049855","29.475","0.003","29.475","0.003","54.45","0.006","90","","90","","90","","47305","9","296","2","296.15","","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","","","- In140 O32 S200 -","- In140 O32 S200 -","- In280 O64 S400 -","2","","","Zhang, Jiaxu; Liu, Xiaozhuang; Ding, Yayun; Xue, Chaozhuang; Wu, Tao","Three new metal chalcogenide open frameworks built through co-assembly and/or hybrid assembly between supertetrahedral T5-InOS and T3-InS nanoclusters","Dalton Transactions","2019","","","","","10.1039/C9DT01410A","","","0.71073","MoKα","","0.1754","0.0799","","","0.2112","0.2654","","","","","","0.973","","","","has coordinates","214782","2020-10-21","18:00:00",""
"7049856","15.2741","0.0001","16.0021","0.0001","26.7383","0.0003","83.018","0.001","74.7","0.001","62.547","0.001","5593.82","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C119 H119.99 Ge2 N10 O0.5 Pd6 -","- C119 H120.585 Ge2 N10 O0.5 Pd6 -","- C238 H241.17 Ge4 N20 O Pd12 -","2","2","","Koizumi, Take-Aki; Tanaka, Kimiya; Tsuchido, Yoshitaka; Tanabe, Makoto; Ide, Tomohito; Osakada, Kohtaro","Bimolecular fusion of [Pd<sub>3</sub>(μ-CN-C<sub>6</sub>H<sub>3</sub>Me<sub>2</sub>-2,6)<sub>3</sub>(CN-C<sub>6</sub>H<sub>3</sub>Me<sub>2</sub>-2,6)<sub>3</sub>] induced by Ph<sub>2</sub>GeH<sub>2</sub>: formation of the redox-active Pd<sub>6</sub>Ge<sub>2</sub> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7541","7545","10.1039/c9dt00814d","","x-ray","1.54184","CuKα","","0.0287","0.0278","","","0.07","0.0705","","","","","","1.057","","","","has coordinates,has disorder","223825","2020-10-21","18:00:00",""
"7049857","9.3973","0.0007","14.5965","0.0011","17.0615","0.0014","85.914","0.003","83.284","0.003","71.364","0.003","2200.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H70 B2 Eu2 Fe2 N30 O14 P2 -","- C80 H70 B2 Eu2 Fe2 N30 O14 P2 -","- C80 H70 B2 Eu2 Fe2 N30 O14 P2 -","1","0.5","","Alexandru, Maria-Gabriela; Visinescu, Diana; Braun-Cula, Beatrice; Shova, Sergiu; Lloret, Francesc; Julve, Miguel","In situ generation of Ph<sub>3</sub>PO in cyanido-bridged heterometallic {Fe<sup>III</sup>Ln<sup>III</sup>}<sub>2</sub> molecular squares (Ln = Eu, Sm).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7532","7536","10.1039/c9dt01445d","","","0.71073","MoKα","","0.0188","0.0185","","","0.0468","0.047","","","","","","1.116","","","","has coordinates","223836","2020-10-21","18:00:00",""
"7049858","9.3796","0.0006","14.6171","0.0009","17.0712","0.0012","85.834","0.002","83.227","0.003","71.398","0.002","2201.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H68 B2 Fe2 N30 O14 P2 Sm2 -","- C80 H68 B2 Fe2 N30 O14 P2 Sm2 -","- C80 H68 B2 Fe2 N30 O14 P2 Sm2 -","1","0.5","","Alexandru, Maria-Gabriela; Visinescu, Diana; Braun-Cula, Beatrice; Shova, Sergiu; Lloret, Francesc; Julve, Miguel","In situ generation of Ph<sub>3</sub>PO in cyanido-bridged heterometallic {Fe<sup>III</sup>Ln<sup>III</sup>}<sub>2</sub> molecular squares (Ln = Eu, Sm).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7532","7536","10.1039/c9dt01445d","","","0.71073","MoKα","","0.0219","0.0213","","","0.0539","0.0542","","","","","","1.157","","","","has coordinates","223836","2020-10-21","18:00:00",""
"7049859","10.7838","0.0004","10.8947","0.0004","11.2504","0.0004","90.81","0.003","113.38","0.004","102.982","0.003","1174.32","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 F40 Mg2 N4 -","- C48 F40 Mg2 N4 -","- C48 F40 Mg2 N4 -","1","0.5","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0384","0.037","","","0.1017","0.1032","","","","","","1.045","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049860","15.8863","0.0002","12.468","0.0001","17.3641","0.0002","90","","107.97","0.001","90","","3271.54","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 F20 N2 O2 Sr -","- C32 H16 F20 N2 O2 Sr -","- C128 H64 F80 N8 O8 Sr4 -","4","0.5","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0228","0.0222","","","0.0561","0.0565","","","","","","1.047","","","","has coordinates,has disorder","224234","2020-10-21","18:00:00",""
"7049861","9.2647","0.0004","20.2362","0.0008","17.7948","0.0007","90","","100.799","0.005","90","","3277.1","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 F20 Mg N2 O2 -","- C32 H16 F20 Mg N2 O2 -","- C128 H64 F80 Mg4 N8 O8 -","4","0.5","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.044","0.0416","","","0.109","0.1112","","","","","","1.046","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049862","9.2667","0.0002","20.4436","0.0004","17.8288","0.0004","90","","98.013","0.002","90","","3344.59","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Ca F20 N2 O2 -","- C32 H16 Ca F20 N2 O2 -","- C128 H64 Ca4 F80 N8 O8 -","4","0.5","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0821","0.083","","","","","","1.039","","","","has coordinates,has disorder","224234","2020-10-21","18:00:00",""
"7049863","8.8864","0.0002","24.4425","0.0006","24.5767","0.0007","63.347","0.003","83.97","0.002","89.76","0.002","4739","0.2","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Ca2 F20 N4 Si4 -","- C36 H36 Ca2 F20 N4 Si4 -","- C144 H144 Ca8 F80 N16 Si16 -","4","2","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0573","0.0434","","","0.1099","0.1201","","","","","","1.024","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049864","11.7023","0.0003","15.6263","0.0003","13.0643","0.0003","90","","111.787","0.003","90","","2218.34","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 F20 Mg2 N4 Si4 -","- C36 H36 F20 Mg2 N4 Si4 -","- C72 H72 F40 Mg4 N8 Si8 -","2","0.5","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0416","0.0366","","","0.1001","0.1052","","","","","","1.038","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049865","28.933","0.0003","10.4341","0.0001","11.2939","0.0001","90","","90","","90","","3409.51","0.06","99.98","0.19","99.98","0.19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H20 F20 Mg N2 O2 -","- C32 H20 F20 Mg N2 O2 -","- C128 H80 F80 Mg4 N8 O8 -","4","1","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0789","0.0794","","","","","","1.055","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049866","9.2631","0.0003","20.31","0.0004","18.1174","0.0004","90","","91.034","0.002","90","","3407.94","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Ca F20 N2 O2 -","- C32 H20 Ca F20 N2 O2 -","- C128 H80 Ca4 F80 N8 O8 -","4","1","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0395","0.0343","","","0.0871","0.0909","","","","","","1.025","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049867","12.5188","0.0002","20.5028","0.0003","23.2272","0.0002","99.688","0.001","99.768","0.001","102.265","0.001","5610.49","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 F20 N4 Si4 Sr2 -","- C48 H48 F20 N4 Si4 Sr2 -","- C192 H192 F80 N16 Si16 Sr8 -","4","2","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","","1.54184","CuKα","","0.0504","0.0439","","","0.1203","0.1268","","","","","","1.067","","","","has coordinates,has disorder","224234","2020-10-21","18:00:00",""
"7049868","15.3447","0.0017","24.156","0.003","11.5292","0.0008","90","","90.06","0.003","90","","4273.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Cl6 Np3 O11 -","- C28 H56 Cl6 Np3 O11 -","- C112 H224 Cl24 Np12 O44 -","4","1","","Schöne, Sebastian; März, Juliane; Stumpf, Thorsten; Ikeda-Ohno, Atsushi","Mixed-valent neptunium oligomer complexes based on cation-cation interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6700","6703","10.1039/c9dt01056d","","","0.71073","MoKα","","0.0286","0.0207","","","0.0367","0.0381","","","","","","1.071","","","","has coordinates","224235","2020-10-21","18:00:00",""
"7049869","15.009","0.004","14.159","0.003","40.069","0.009","90","","91.406","0.002","90","","8513","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cl7 Np4 O12 -","- C24 H48 Cl7 Np4 O12 -","- C192 H384 Cl56 Np32 O96 -","8","1","","Schöne, Sebastian; März, Juliane; Stumpf, Thorsten; Ikeda-Ohno, Atsushi","Mixed-valent neptunium oligomer complexes based on cation-cation interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6700","6703","10.1039/c9dt01056d","","","0.71073","MoKα","","0.1465","0.1402","","","0.3222","0.3248","","","","","","1.357","","","","has coordinates","224235","2020-10-21","18:00:00",""
"7049870","8.7123","0.0002","11.2312","0.0003","24.353","0.0006","90","","90.308","0.002","90","","2382.9","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N4 O5 Re -","- C26 H19 N4 O5 Re -","- C104 H76 N16 O20 Re4 -","4","1","","Das, Tapashi; Rajak, Kajal Krishna","Experimental and theoretical investigation of a metalloreceptor bearing a [Re(CO)3]+ core incorporating a multifunctional ligand: selective reactivity towards Zn2+ and CN− ions","Dalton Transactions","2019","","","","","10.1039/C9DT00901A","","","0.71073","MoKα","","0.0415","0.0372","","","0.0954","0.0972","","","","","","1.235","","","","has coordinates","214809","2020-10-21","18:00:00",""
"7049871","22.5847","0.0005","22.5847","0.0005","17.1723","0.0005","90","","90","","90","","8759.1","0.4","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C25 H15 N4 O4 Re -","- C25 H15 N4 O4 Re -","- C400 H240 N64 O64 Re16 -","16","","","Das, Tapashi; Rajak, Kajal Krishna","Experimental and theoretical investigation of a metalloreceptor bearing a [Re(CO)3]+ core incorporating a multifunctional ligand: selective reactivity towards Zn2+ and CN− ions","Dalton Transactions","2019","","","","","10.1039/C9DT00901A","","","0.71073","MoKα","","0.0374","0.0255","","","0.0867","0.1011","","","","","","0.789","","","","has coordinates","214809","2020-10-21","18:00:00",""
"7049872","31.198","0.008","9.814","0.002","17.652","0.004","90","","117.801","0.012","90","","4781","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 Cl N4 O4 Re -","- C25 H16 Cl N4 O4 Re -","- C200 H128 Cl8 N32 O32 Re8 -","8","1","","Das, Tapashi; Rajak, Kajal Krishna","Experimental and theoretical investigation of a metalloreceptor bearing a [Re(CO)3]+ core incorporating a multifunctional ligand: selective reactivity towards Zn2+ and CN− ions","Dalton Transactions","2019","","","","","10.1039/C9DT00901A","","","0.71073","MoKα","","0.0606","0.0355","","","0.1034","0.1282","","","","","","0.865","","","","has coordinates","214809","2020-10-21","18:00:00",""
"7049873","11.399","0.003","9.429","0.003","13.467","0.004","90","","90","","90","","1447.4","0.7","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B5 Ba F H0.33 O8.17 -","- B5 Ba F H0.3334 O8.1667 -","- B40 Ba8 F8 H2.6672 O65.3336 -","8","1","","Huang, Chunmei; Han, Guopeng; Li, Hao; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie","A new barium fluorooxoborate BaB<sub>5</sub>O<sub>8</sub>F·xH<sub>2</sub>O with large birefringence and a wide UV transparency window.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6714","6717","10.1039/c9dt00106a","","","0.71073","MoKα","","0.0329","0.0244","","","0.0511","0.0551","","","","","","1.059","","","","has coordinates","224237","2020-10-21","18:00:00",""
"7049874","11.7538","0.001","12.8198","0.0012","13.1515","0.0012","118.519","0.003","96.302","0.003","110.063","0.003","1543.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Cu2 N8 O12 -","- C48 H46 Cu2 N8 O12 -","- C48 H46 Cu2 N8 O12 -","1","0.5","","Lee, Wei-Li; Hsu, Tse-Wei; Hung, Wei-Cheng; Fang, Jim-Min","A copper(ii)-dipicolylamine-coumarin sensor for maltosyltransferase assay.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8026","8029","10.1039/c9dt01339c","","","0.71075","MoKα","","0.0663","0.0583","","","0.1576","0.1645","","","","","","1.068","","","","has coordinates","224427","2020-10-21","18:00:00",""
"7049875","10.1423","0.0004","13.9652","0.0006","15.8918","0.0006","90","","90","","90","","2250.9","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Ce I3 O3 -","- C12 H30 Ce I3 O3 -","- C48 H120 Ce4 I12 O12 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0494","0.0291","","","0.0556","0.0645","","","","","","1.02","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049876","10.0662","0.0007","13.8437","0.001","15.8345","0.0011","90","","90","","90","","2206.6","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 I3 O3 Sm -","- C12 H30 I3 O3 Sm -","- C48 H120 I12 O12 Sm4 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0614","0.0341","","","0.0811","0.1045","","","","","","1.113","","","","has coordinates,has disorder","224430","2020-10-21","18:00:00",""
"7049877","10.0273","0.0006","13.7816","0.0009","15.791","0.0011","90","","90","","90","","2182.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 I3 O3 Tb -","- C12 H30 I3 O3 Tb -","- C48 H120 I12 O12 Tb4 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.028","0.0235","","","0.0553","0.0571","","","","","","1.073","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049878","13.695","0.002","17.532","0.003","20.912","0.004","65.386","0.007","87.54","0.007","87.044","0.007","4557.4","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 I3 O3 Tm -","- C12 H30 I3 O3 Tm -","- C96 H240 I24 O24 Tm8 -","8","4","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0778","0.0688","","","0.1491","0.1565","","","","","","1.038","","","","has coordinates,has disorder","224430","2020-10-21","18:00:00",""
"7049879","10.0525","0.0012","13.8205","0.0017","15.8047","0.0019","90","","90","","90","","2195.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 Gd I3 O3 -","- C12 H30 Gd I3 O3 -","- C48 H120 Gd4 I12 O12 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0319","0.0239","","","0.0499","0.0545","","","","","","1.198","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049880","10.3167","0.0005","16.1003","0.0009","13.6533","0.0009","90","","90","","90","","2267.8","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 I3 Nd O3 -","- C12 H30 I3 Nd O3 -","- C48 H120 I12 Nd4 O12 -","4","1","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0396","0.0381","","","0.089","0.0902","","","","","","1.063","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049881","12.742","0.003","12.016","0.003","28.632","0.006","90","","98.442","0.004","90","","4336.3","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 I6 O7 Tb2 -","- C28 H56 I6 O7 Tb2 -","- C112 H224 I24 O28 Tb8 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0463","0.0283","","","0.0538","0.0618","","","","","","1.083","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049882","10.1152","0.0004","13.9216","0.0007","15.8716","0.0008","90","","90","","90","","2235.04","0.18","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H30 I3 O3 Pr -","- C12 H30 I3 O3 Pr -","- C48 H120 I12 O12 Pr4 -","4","0.5","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0369","0.0255","","","0.0653","0.0747","","","","","","1.09","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049883","7.802","0.005","9.601","0.005","21.566","0.005","80.76","0.005","88.103","0.005","82.201","0.005","1579.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H18 Cr Cu2 K N4 O17 -","- C28 H18 Cr Cu2 K N4 O17 -","- C56 H36 Cr2 Cu4 K2 N8 O34 -","2","1","","KaniŽaj, Lidija; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor; Šantić, Ana; Jurić, Marijana","Ladder-like [CrCu] coordination polymers containing unique bridging modes of [Cr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sup>3-</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7891","7898","10.1039/c9dt01195a","","","1.54179","CuKα","","0.0755","0.0616","","","","0.172","","","","","","1.043","","","","has coordinates","223818","2020-10-21","18:00:00",""
"7049884","7.2322","0.0006","9.7882","0.0008","10.0034","0.0006","91.63","0.006","109.709","0.007","95.89","0.007","661.63","0.09","293","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Cr Cu N2 O5.5 -","- C13 H8 Cr Cu N2 O5.5 -","- C26 H16 Cr2 Cu2 N4 O11 -","2","1","","KaniŽaj, Lidija; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor; Šantić, Ana; Jurić, Marijana","Ladder-like [CrCu] coordination polymers containing unique bridging modes of [Cr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sup>3-</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7891","7898","10.1039/c9dt01195a","","","1.54184","CuKα","","0.0721","0.0619","","","","0.1772","","","","","","1.059","","","","has coordinates","223818","2020-10-21","18:00:00",""
"7049885","7.8102","0.0002","9.86","0.0004","21.4368","0.0009","80.494","0.003","88.882","0.003","81.638","0.003","1610.82","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cr Cu2 N5 O17 -","- C28 H21 Cr Cu2 N5 O17 -","- C56 H42 Cr2 Cu4 N10 O34 -","2","1","","KaniŽaj, Lidija; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor; Šantić, Ana; Jurić, Marijana","Ladder-like [CrCu] coordination polymers containing unique bridging modes of [Cr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sup>3-</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7891","7898","10.1039/c9dt01195a","","","1.54179","CuKα","","0.0474","0.0449","","","","0.1307","","","","","","1.1","","","","has coordinates","223818","2020-10-21","18:00:00",""
"7049886","13.17","0.002","17.362","0.005","17.639","0.006","90","","90","","90","","4033.3","1.9","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 F3 N4 O12 Pt S -","- C36 H43 F3 N4 O12 Pt S -","- C144 H172 F12 N16 O48 Pt4 S4 -","4","1","","Annunziata, Alfonso; Cucciolito, Maria Elena; Esposito, Roberto; Imbimbo, Paola; Petruk, Ganna; Ferraro, Giarita; Pinto, Valerio; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","A highly efficient and selective antitumor agent based on a glucoconjugated carbene platinum(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7794","7800","10.1039/c9dt01614g","","","0.71073","MoKα","","0.0503","0.0374","","","0.0811","0.0879","","","","","","1.093","","","","has coordinates","223820","2020-10-21","18:00:00",""
"7049887","24.848","0.007","13.263","0.004","8.675","0.002","90","","92.745","0.003","90","","2855.6","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu2 N2 O8 -","- C22 H24 Cu2 N2 O8 -","- C88 H96 Cu8 N8 O32 -","4","0.5","","Jo, Jin Hyoung; Kim, Hyun-Chul; Huh, Seong; Kim, Youngmee; Lee, Do Nam","Antibacterial activities of Cu-MOFs containing glutarates and bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8084","8093","10.1039/c9dt00791a","","","0.71073","MoKα","","0.0727","0.0569","","","0.1702","0.1849","","","","","","1.076","","","","has coordinates,has disorder","224432","2020-10-21","18:00:00",""
"7049888","21.436","0.0004","13.2468","0.0003","8.5784","0.0002","90","","101.059","0.0013","90","","2390.67","0.09","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Cu2 N2 O11 -","- C20 H26 Cu2 N2 O11 -","- C80 H104 Cu8 N8 O44 -","4","0.5","","Jo, Jin Hyoung; Kim, Hyun-Chul; Huh, Seong; Kim, Youngmee; Lee, Do Nam","Antibacterial activities of Cu-MOFs containing glutarates and bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8084","8093","10.1039/c9dt00791a","","","0.71073","MoKα","","0.0822","0.0489","","","0.0823","0.0933","","","","","","1.028","","","","has coordinates","224432","2020-10-21","18:00:00",""
"7049889","25.027","0.014","13.234","0.008","8.547","0.005","90","","91.708","0.005","90","","2830","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cu2 N2 O8 -","- C22 H22 Cu2 N2 O8 -","- C88 H88 Cu8 N8 O32 -","4","0.5","","Jo, Jin Hyoung; Kim, Hyun-Chul; Huh, Seong; Kim, Youngmee; Lee, Do Nam","Antibacterial activities of Cu-MOFs containing glutarates and bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8084","8093","10.1039/c9dt00791a","","","0.71073","MoKα","","0.0697","0.0422","","","0.0857","0.0933","","","","","","0.932","","","","has coordinates","224432","2020-10-21","18:00:00",""
"7049890","28.395","0.002","13.1332","0.0008","8.7389","0.0006","90","","107.553","0.006","90","","3107.1","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cu2 N2 O8 -","- C23 H26 Cu2 N2 O8 -","- C92 H104 Cu8 N8 O32 -","4","0.5","","Jo, Jin Hyoung; Kim, Hyun-Chul; Huh, Seong; Kim, Youngmee; Lee, Do Nam","Antibacterial activities of Cu-MOFs containing glutarates and bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8084","8093","10.1039/c9dt00791a","","","0.71073","MoKα","","0.0721","0.0661","","","0.2075","0.2232","","","","","","1.098","","","","has coordinates","224432","2020-10-21","18:00:00",""
"7049891","10.0673","0.0007","20.0097","0.0013","17.8258","0.0012","90","","98.505","0.002","90","","3551.4","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Cl N3 P Pd S -","- C39 H43 Cl N3 P Pd S -","- C156 H172 Cl4 N12 P4 Pd4 S4 -","4","1","","Brunel, Paul; Lhardy, Chloé; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Palladium pincer complexes featuring an unsymmetrical SCN indene-based ligand with a hemilabile pyridine sidearm.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9801","9806","10.1039/c9dt00898e","","","0.71073","MoKα","","0.0636","0.0402","","","0.1035","0.1157","","","","","","1.087","","","","has coordinates","224069","2020-10-21","18:00:00",""
"7049892","9.065","0.0005","10.744","0.0006","13.3785","0.0008","80.298","0.002","75.096","0.002","78.795","0.002","1225.46","0.12","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H27 Cl3 N P Pd S -","- C22 H27 Cl3 N P Pd S -","- C44 H54 Cl6 N2 P2 Pd2 S2 -","2","1","","Brunel, Paul; Lhardy, Chloé; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Palladium pincer complexes featuring an unsymmetrical SCN indene-based ligand with a hemilabile pyridine sidearm.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9801","9806","10.1039/c9dt00898e","","","0.71073","MoKα","","0.051","0.0388","","","0.0774","0.0838","","","","","","1.123","","","","has coordinates,has disorder","224069","2020-10-21","18:00:00",""
"7049893","4.4903","0.0005","9.9764","0.001","14.3321","0.0014","78.415","0.003","82.415","0.003","87.929","0.003","623.42","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N11 O8.19 -","- C5 H9 N11 O8.186 -","- C10 H18 N22 O16.372 -","2","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic furazan-triazole hybrid with dinitromethyl and nitramino groups: decreasing sensitivity via the formation of a planar anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7677","7684","10.1039/c9dt01514k","","","0.71073","MoKα","","0.1128","0.0559","","","0.1219","0.1414","","","","","","1.026","","","","has coordinates,has disorder","223834","2020-10-21","18:00:00",""
"7049894","21.7441","0.0005","9.4048","0.0002","39.3917","0.0009","90","","104.749","0.001","90","","7790.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10.5 H4.75 N16.25 O10 -","- C10.5 H4.75 N16.25 O10 -","- C168 H76 N260 O160 -","16","4","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic furazan-triazole hybrid with dinitromethyl and nitramino groups: decreasing sensitivity via the formation of a planar anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7677","7684","10.1039/c9dt01514k","","","0.71073","MoKα","","0.1029","0.0552","","","0.1341","0.1582","","","","","","1.016","","","","has coordinates,has disorder","223834","2020-10-21","18:00:00",""
"7049895","10.5392","0.0004","10.7394","0.0004","15.4228","0.0008","83.797","0.004","86.323","0.004","74.083","0.003","1667.78","0.13","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C29 H43 B N6 O2 Se Si W -","- C29 H43 B N6 O2 Se Si W -","- C58 H86 B2 N12 O4 Se2 Si2 W2 -","2","1","","Frogley, Benjamin J.; Genet, Tobias L.; Hill, Anthony F.; Onn, Chee S.","Alkynylselenolatoalkylidynes (L<sub>n</sub>M[triple bond, length as m-dash]C-Se-C[triple bond, length as m-dash]CR) as building blocks for mixed metal/main-group extended frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7632","7643","10.1039/c9dt01504c","","","0.71073","MoKα","","0.0449","0.0373","","","0.0654","0.0709","","","","","","1.014","","","","has coordinates","223823","2020-10-21","18:00:00",""
"7049896","14.611","0.008","15.247","0.003","15.864","0.003","74.469","0.003","65.54","0.015","89.467","0.01","3078.6","1.9","100.409","0.0002","100.409","0.0002","","","","","","","","8","P -1","-P 1","2","","","","- C52 H54 B2 N12 O4 Se2 Si W2 -","- C52 H54 B2 N12 O4 Se2 Si W2 -","- C104 H108 B4 N24 O8 Se4 Si2 W4 -","2","1","","Frogley, Benjamin J.; Genet, Tobias L.; Hill, Anthony F.; Onn, Chee S.","Alkynylselenolatoalkylidynes (L<sub>n</sub>M[triple bond, length as m-dash]C-Se-C[triple bond, length as m-dash]CR) as building blocks for mixed metal/main-group extended frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7632","7643","10.1039/c9dt01504c","","","0.71073","Synchrotron","","0.1564","0.0623","","","0.1378","0.1757","","","","","","0.88","","","","has coordinates,has disorder","223823","2020-10-21","18:00:00",""
"7049897","10.1346","0.0003","11.8723","0.0003","18.7804","0.0005","107.522","0.002","99.643","0.002","95.782","0.002","2096.74","0.1","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C38 H37 B N6 O2 Se Si W -","- C38 H37 B N6 O2 Se Si W -","- C76 H74 B2 N12 O4 Se2 Si2 W2 -","2","1","","Frogley, Benjamin J.; Genet, Tobias L.; Hill, Anthony F.; Onn, Chee S.","Alkynylselenolatoalkylidynes (L<sub>n</sub>M[triple bond, length as m-dash]C-Se-C[triple bond, length as m-dash]CR) as building blocks for mixed metal/main-group extended frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7632","7643","10.1039/c9dt01504c","","","1.54184","CuKα","","0.0471","0.0432","","","0.1093","0.114","","","","","","1.022","","","","has coordinates","223823","2020-10-21","18:00:00",""
"7049898","10.0844","0.0007","13.1954","0.0016","21.8026","0.0014","90","","101.803","0.006","90","","2839.9","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B N6 O2 Se W -","- C27 H29 B N6 O2 Se W -","- C108 H116 B4 N24 O8 Se4 W4 -","4","1","","Frogley, Benjamin J.; Genet, Tobias L.; Hill, Anthony F.; Onn, Chee S.","Alkynylselenolatoalkylidynes (L<sub>n</sub>M[triple bond, length as m-dash]C-Se-C[triple bond, length as m-dash]CR) as building blocks for mixed metal/main-group extended frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7632","7643","10.1039/c9dt01504c","","","0.71073","MoKα","","0.0958","0.0604","","","0.1059","0.119","","","","","","1.038","","","","has coordinates","223823","2020-10-21","18:00:00",""
"7049899","10.0743","0.0004","11.6156","0.0006","18.7728","0.0008","107.189","0.004","99.578","0.003","96.105","0.004","2041","0.17","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C38 H37 B Ge N6 O2 Se W -","- C38 H37 B Ge N6 O2 Se W -","- C76 H74 B2 Ge2 N12 O4 Se2 W2 -","2","1","","Frogley, Benjamin J.; Genet, Tobias L.; Hill, Anthony F.; Onn, Chee S.","Alkynylselenolatoalkylidynes (L<sub>n</sub>M[triple bond, length as m-dash]C-Se-C[triple bond, length as m-dash]CR) as building blocks for mixed metal/main-group extended frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7632","7643","10.1039/c9dt01504c","","","1.54184","CuKα","","0.0396","0.0386","","","0.1035","0.1047","","","","","","1.069","","","","has coordinates","223823","2020-10-21","18:00:00",""
"7049900","13.3678","0.0006","14.1378","0.0006","19.1085","0.0008","90","","90","","90","","3611.3","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H24 Bi2 Br12 N6 -","- C15 H24 Bi2 Br12 N6 -","- C60 H96 Bi8 Br48 N24 -","4","0.5","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0636","0.0329","","","0.075","0.0854","","","","","","0.994","","","","has coordinates,has disorder","223828","2020-10-21","18:00:00",""
"7049901","11.1553","0.0014","11.2184","0.0014","13.2282","0.0016","90","","109.653","0.003","90","","1559","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Bi2 Br10 N4 O2 -","- C12 H24 Bi2 Br10 N4 O2 -","- C24 H48 Bi4 Br20 N8 O4 -","2","0.5","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0353","0.0257","","","0.0554","0.0585","","","","","","0.998","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049902","9.1129","0.0007","22.6442","0.0016","8.257","0.0006","90","","107.174","0.002","90","","1627.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Bi Br5 N2 O -","- C7 H14 Bi Br5 N2 O -","- C28 H56 Bi4 Br20 N8 O4 -","4","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0611","0.0403","","","0.0965","0.1057","","","","","","0.954","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049903","12.7987","0.0003","10.7742","0.0002","19.267","0.0004","90","","107.687","0.001","90","","2531.25","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Bi4 Br16 N8 -","- C20 H28 Bi4 Br16 N8 -","- C40 H56 Bi8 Br32 N16 -","2","0.5","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0599","0.0352","","","0.0811","0.0907","","","","","","0.975","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049904","26.452","0.001","9.744","0.0004","22.4625","0.0008","90","","102.778","0.001","90","","5646.3","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Bi4 Br18 N8 O3 -","- C20 H30 Bi4 Br18 N8 O3 -","- C80 H120 Bi16 Br72 N32 O12 -","4","0.5","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.096","0.047","","","0.0962","0.1132","","","","","","1.039","","","","has coordinates,has disorder","223828","2020-10-21","18:00:00",""
"7049905","11.0371","0.0006","13.422","0.0007","15.1336","0.0008","90","","90.014","0.002","90","","2241.9","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H44 Bi2 Br12 N6 O -","- C24 H44 Bi2 Br12 N6 O -","- C48 H88 Bi4 Br24 N12 O2 -","2","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0646","0.0472","","","0.1023","0.1113","","","","","","0.993","","","","has coordinates,has disorder","223828","2020-10-21","18:00:00",""
"7049906","28.8902","0.0005","9.5425","0.0002","13.4798","0.0002","90","","90","","90","","3716.18","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21 Bi2 I9 N6 -","- C15 H21 Bi2 I9 N6 -","- C60 H84 Bi8 I36 N24 -","4","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","x-ray","0.67522","synchrotron","","0.0467","0.0379","","","0.0856","0.0901","","","","","","0.988","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049907","8.9423","0.0006","9.2461","0.0006","14.0873","0.0008","77.477","0.002","86.384","0.002","65.451","0.002","1033.79","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H15 Bi Br6 N4 O2 -","- C8 H15 Bi Br6 N4 O2 -","- C16 H30 Bi2 Br12 N8 O4 -","2","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0472","0.043","","","0.1155","0.1177","","","","","","1.149","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049908","15.0541","0.0006","12.8474","0.0005","34.972","0.0015","90","","90","","90","","6763.8","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Bi2 Br5.16 I3.84 N6 -","- C15 H21 Bi2 Br5.16 I3.84 N6 -","- C120 H168 Bi16 Br41.28 I30.72 N48 -","8","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0793","0.0537","","","0.151","0.1739","","","","","","1.074","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049909","11.6913","0.0008","10.8324","0.0007","17.6336","0.0011","90","","90","","90","","2233.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Au2 N4 -","- C20 H34 Au2 N4 -","- C80 H136 Au8 N16 -","4","0.5","","Tong, Liuchuan; Davis, Luke M.; Gong, Xian; Feng, Jun; Beh, Eugene S.; Gordon, Roy G.","Synthesis of volatile, reactive coinage metal 5,5-bicyclic amidinates with enhanced thermal stability for chemical vapor deposition.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6709","6713","10.1039/c9dt01202h","","","0.71073","MoKα","","0.0272","0.024","","","0.0656","0.0669","","","","","","1.069","","","","has coordinates","224222","2020-10-21","18:00:00",""
"7049910","11.3046","0.0016","23.157","0.003","33.145","0.005","90","","90","","90","","8677","2","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C40 H68 Ag4 N8 -","- C40 H68 Ag4 N8 -","- C320 H544 Ag32 N64 -","8","0.25","","Tong, Liuchuan; Davis, Luke M.; Gong, Xian; Feng, Jun; Beh, Eugene S.; Gordon, Roy G.","Synthesis of volatile, reactive coinage metal 5,5-bicyclic amidinates with enhanced thermal stability for chemical vapor deposition.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6709","6713","10.1039/c9dt01202h","","","0.71073","MoKα","","0.0459","0.0201","","","0.0325","0.036","","","","","","0.921","","","","has coordinates,has disorder","224222","2020-10-21","18:00:00",""
"7049911","12.3208","0.0017","12.3208","0.0017","34.355","0.007","90","","90","","90","","5215.2","1.5","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C32 H56 Cl Co2 N16 O12 W -","- C32 H52 Cl Co2 N16 O12 W -","- C128 H208 Cl4 Co8 N64 O48 W4 -","4","","","Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00654K","","","0.71073","MoKα","","0.0399","0.0349","","","0.0893","0.0922","","","","","","1.081","","","","has coordinates","214873","2020-10-21","18:00:00",""
"7049912","20.048","0.003","20.048","0.003","14.995","0.003","90","","90","","90","","6026.8","1.8","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C48 H32 Co2 N24 W -","- C48 H32 Co2 N24 W -","- C192 H128 Co8 N96 W4 -","4","0.125","","Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00654K","","","0.71073","MoKα","","0.1059","0.0981","","","0.2504","0.257","","","","","","1.26","","","","has coordinates","214873","2020-10-21","18:00:00",""
"7049913","12.332","0.0017","12.332","0.0017","34.23","0.007","90","","90","","90","","5205.6","1.5","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C32 H56 Cl Co2 Mo N16 O12 -","- C32 H56 Cl Co2 Mo N16 O12 -","- C128 H224 Cl4 Co8 Mo4 N64 O48 -","4","","","Qian, Jun; Yoshikawa, Hirofumi; Hu, jingchun; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","Auxiliary ligand-induced structural diversities of octacyanometalate-based heterobimetallic coordination polymers towards diverse magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT00654K","","","0.71073","MoKα","","0.0736","0.0565","","","0.1228","0.1323","","","","","","1.116","","","","has coordinates","214873","2020-10-21","18:00:00",""
"7049914","8.186","0.0001","12.7339","0.0002","17.966","0.0003","90","","90","","90","","1872.77","0.05","180","2","180","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C16 H12 Cl F8 N2 P Ru -","- C16 H12 Cl F8 N2 P Ru -","- C64 H48 Cl4 F32 N8 P4 Ru4 -","4","0.5","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.0393","0.0324","","","0.0972","0.0995","","","","","","1.094","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049915","11.8675","0.0003","11.3437","0.0003","14.2301","0.0004","90","","90","","90","","1915.68","0.09","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C17 H14 Cl F8 N2 P Ru -","- C17 H14 Cl F8 N2 P Ru -","- C68 H56 Cl4 F32 N8 P4 Ru4 -","4","0.5","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0347","0.0332","","","0.0866","0.0878","","","","","","1.03","","","","has coordinates,has disorder","224232","2020-10-21","18:00:00",""
"7049916","11.8901","0.0004","11.9766","0.0004","12.8399","0.0005","90","","101.146","0.002","90","","1793.95","0.11","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl F8 N2 P Ru -","- C16 H12 Cl F8 N2 P Ru -","- C64 H48 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.1051","0.051","","","0.0852","0.1027","","","","","","1.029","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049917","8.4825","0.0003","11.836","0.0004","12.4837","0.0004","103.169","0.0011","94.0286","0.0011","103.438","0.001","1176.89","0.07","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 Cl F8 N2 P Ru -","- C22 H24 Cl F8 N2 P Ru -","- C44 H48 Cl2 F16 N4 P2 Ru2 -","2","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0249","0.0237","","","0.059","0.0598","","","","","","1.078","","","","has coordinates,has disorder","224232","2020-10-21","18:00:00",""
"7049918","12.002","0.0002","13.7944","0.0002","13.2815","0.0002","90","","90","","90","","2198.89","0.06","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl F8 N2 P Ru -","- C20 H20 Cl F8 N2 P Ru -","- C80 H80 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71069","MoKα","","0.0319","0.0272","","","0.0694","0.0705","","","","","","0.997","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049919","18.4489","0.0005","7.829","0.0002","16.0806","0.0004","90","","90","","90","","2322.62","0.1","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H24 Cl F8 N2 P Ru -","- C22 H24 Cl F8 N2 P Ru -","- C88 H96 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0295","0.025","","","0.0541","0.0557","","","","","","1.041","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049920","8.063","0.0005","8.3719","0.0005","13.8505","0.0011","104.378","0.003","95.336","0.003","96.409","0.003","892.9","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 Cl F8 N2 P Ru -","- C16 H12 Cl F8 N2 P Ru -","- C32 H24 Cl2 F16 N4 P2 Ru2 -","2","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.1242","0.0717","","","0.1095","0.128","","","","","","1.098","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049921","16.0681","0.0005","8.0666","0.0003","15.9972","0.0005","90","","90","","90","","2073.48","0.12","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C18 H12 Cl F12 N2 P Ru -","- C18 H12 Cl F12 N2 P Ru -","- C72 H48 Cl4 F48 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.0608","0.0414","","","0.0738","0.0817","","","","","","1.069","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049922","14.2643","0.0003","8.4893","0.0002","21.3553","0.0006","90","","108.533","0.001","90","","2451.9","0.1","180","2","180","2","","","","","","","","8","P 1 2 1","P 2y","3","","","","- C21 H24 F6 N3 O4 P Ru S -","- C21 H24 F6 N3 O4 P Ru S -","- C84 H96 F24 N12 O16 P4 Ru4 S4 -","4","2","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","0.71073","MoKα","","0.0558","0.0387","","","0.0754","0.08","","","","","","0.999","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049923","12.3683","0.0003","13.3931","0.0003","13.3561","0.0003","90","","90","","90","","2212.44","0.09","180","2","180","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl F8 N2 P Ru -","- C20 H20 Cl F8 N2 P Ru -","- C80 H80 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0216","0.0193","","","0.044","0.0451","","","","","","1.05","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049924","7.1872","0.0003","11.6858","0.0004","11.9743","0.0004","99.964","0.002","97.263","0.002","101.058","0.002","958.8","0.06","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl F8 N2 P Ru -","- C17 H14 Cl F8 N2 P Ru -","- C34 H28 Cl2 F16 N4 P2 Ru2 -","2","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0536","0.0402","","","0.0909","0.0959","","","","","","1.047","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7049925","11.5508","0.0002","13.8153","0.0003","21.1736","0.0004","85.745","0.002","83.053","0.002","84.314","0.002","3330.9","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C73 H101 Cl2 O2 P2 Th -","- C73 H101 Cl2 O2 P2 Th -","- C146 H202 Cl4 O4 P4 Th2 -","2","1","","Zhang, Congcong; Wang, Yongsong; Hou, Guohua; Ding, Wanjian; Zi, Guofu; Walter, Marc D.","Experimental and computational studies on a three-membered diphosphido thorium metallaheterocycle [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>Th[η<sup>2</sup>-P<sub>2</sub>(2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6921","6930","10.1039/c9dt01160a","","x-ray","1.54184","CuKα","","0.0275","0.0264","","","0.0652","0.0661","","","","","","1.025","","","","has coordinates","224228","2020-10-21","18:00:00",""
"7049926","25.3071","0.0007","10.1096","0.0003","22.2903","0.0006","90","","105.268","0.003","90","","5501.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 P2 Th -","- C56 H90 P2 Th -","- C224 H360 P8 Th4 -","4","1","","Zhang, Congcong; Wang, Yongsong; Hou, Guohua; Ding, Wanjian; Zi, Guofu; Walter, Marc D.","Experimental and computational studies on a three-membered diphosphido thorium metallaheterocycle [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>Th[η<sup>2</sup>-P<sub>2</sub>(2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6921","6930","10.1039/c9dt01160a","","x-ray","1.54184","CuKα","","0.1059","0.0865","","","0.1957","0.2091","","","","","","1.051","","","","has coordinates,has disorder","224228","2020-10-21","18:00:00",""
"7049927","10.3144","0.0004","14.1787","0.0005","16.462","0.0007","70.744","0.004","80.695","0.004","70.864","0.004","2143.33","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H69 Cl P Th -","- C44 H69 Cl P Th -","- C88 H138 Cl2 P2 Th2 -","2","1","","Zhang, Congcong; Wang, Yongsong; Hou, Guohua; Ding, Wanjian; Zi, Guofu; Walter, Marc D.","Experimental and computational studies on a three-membered diphosphido thorium metallaheterocycle [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>Th[η<sup>2</sup>-P<sub>2</sub>(2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6921","6930","10.1039/c9dt01160a","","x-ray","1.54184","CuKα","","0.073","0.0614","","","0.1788","0.1851","","","","","","1.097","","","","has coordinates,has disorder","224228","2020-10-21","18:00:00",""
"7049928","12.5224","0.0001","24.7325","0.0002","20.3311","0.0002","90","","104.56","0.001","90","","6094.53","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H98 N2 P2 Th -","- C63 H98 N2 P2 Th -","- C252 H392 N8 P8 Th4 -","4","1","","Zhang, Congcong; Wang, Yongsong; Hou, Guohua; Ding, Wanjian; Zi, Guofu; Walter, Marc D.","Experimental and computational studies on a three-membered diphosphido thorium metallaheterocycle [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>Th[η<sup>2</sup>-P<sub>2</sub>(2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6921","6930","10.1039/c9dt01160a","","x-ray","1.54184","CuKα","","0.0314","0.0254","","","0.0555","0.0584","","","","","","1.018","","","","has coordinates","224228","2020-10-21","18:00:00",""
"7049929","19.9693","0.0003","18.0772","0.0002","18.9897","0.0003","90","","102.57","0.001","90","","6690.76","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H106 N P2 Th -","- C72 H106 N P2 Th -","- C288 H424 N4 P8 Th4 -","4","1","","Zhang, Congcong; Wang, Yongsong; Hou, Guohua; Ding, Wanjian; Zi, Guofu; Walter, Marc D.","Experimental and computational studies on a three-membered diphosphido thorium metallaheterocycle [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>Th[η<sup>2</sup>-P<sub>2</sub>(2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6921","6930","10.1039/c9dt01160a","","x-ray","1.54184","CuKα","","0.0463","0.0393","","","0.0974","0.1022","","","","","","1.084","","","","has coordinates","224228","2020-10-21","18:00:00",""
"7049930","7.4047","0.0014","7.6292","0.0016","7.6771","0.0015","94.658","0.003","98.754","0.003","112.864","0.003","390.25","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- H15 O20 P4 Ru2 -","- H15 O20 P4 Ru2 -","- H15 O20 P4 Ru2 -","1","0.5","","Fan, Xiao-Meng; Li, Jing-Yu; Wang, Lin-Lin; Zhou, Zi-Qin; Tian, Yu-Chen; Yang, Jian-Hui; Liu, Bin","Alkali counterions tune diruthenium(iii,iii)-based ferrimagnetic chain structured antiferromagnets exhibiting step-like hysteresis loops.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8039","8043","10.1039/c9dt01295h","","","0.71073","MoKα","","0.0387","0.0295","","","0.0599","0.0637","","","","","","1.048","","","","has coordinates","224422","2020-10-21","18:00:00",""
"7049931","7.7337","0.0012","8.4478","0.0013","9.1576","0.0014","87.824","0.002","76.102","0.002","64.533","0.002","522.89","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu H18 K2 O24 P4 Ru2 -","- Cu H18 K2 O24 P4 Ru2 -","- Cu H18 K2 O24 P4 Ru2 -","1","0.5","","Fan, Xiao-Meng; Li, Jing-Yu; Wang, Lin-Lin; Zhou, Zi-Qin; Tian, Yu-Chen; Yang, Jian-Hui; Liu, Bin","Alkali counterions tune diruthenium(iii,iii)-based ferrimagnetic chain structured antiferromagnets exhibiting step-like hysteresis loops.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8039","8043","10.1039/c9dt01295h","","","0.71073","MoKα","","0.0316","0.031","","","0.0847","0.0852","","","","","","1.083","","","","has coordinates","224422","2020-10-21","18:00:00",""
"7049932","7.858","0.002","8.425","0.002","9.23","0.003","86.978","0.006","75.656","0.005","64.585","0.005","533.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu H18 O24 P4 Rb2 Ru2 -","- Cu H16 O24 P4 Rb2 Ru2 -","- Cu H16 O24 P4 Rb2 Ru2 -","1","0.5","","Fan, Xiao-Meng; Li, Jing-Yu; Wang, Lin-Lin; Zhou, Zi-Qin; Tian, Yu-Chen; Yang, Jian-Hui; Liu, Bin","Alkali counterions tune diruthenium(iii,iii)-based ferrimagnetic chain structured antiferromagnets exhibiting step-like hysteresis loops.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8039","8043","10.1039/c9dt01295h","","","0.71073","MoKα","","0.0884","0.0551","","","0.1123","0.1295","","","","","","0.969","","","","has coordinates","224422","2020-10-21","18:00:00",""
"7049933","8.006","0.004","8.475","0.004","9.314","0.005","85.061","0.009","74.589","0.008","64.129","0.007","547.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Cs2 Cu H18 O24 P4 Ru2 -","- Cs2 Cu H14 O24.18 P4 Ru2 -","- Cs2 Cu H14 O24.18 P4 Ru2 -","1","0.5","","Fan, Xiao-Meng; Li, Jing-Yu; Wang, Lin-Lin; Zhou, Zi-Qin; Tian, Yu-Chen; Yang, Jian-Hui; Liu, Bin","Alkali counterions tune diruthenium(iii,iii)-based ferrimagnetic chain structured antiferromagnets exhibiting step-like hysteresis loops.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8039","8043","10.1039/c9dt01295h","","","0.71073","MoKα","","0.1187","0.0847","","","0.2264","0.2445","","","","","","1.071","","","","has coordinates","224422","2020-10-21","18:00:00",""
"7049934","8.041","0.005","14.996","0.005","14.385","0.005","90","0.005","98.333","0.005","90","0.005","1716.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N2 O5 Re -","- C17 H15 N2 O5 Re -","- C68 H60 N8 O20 Re4 -","4","1","","Schutte-Smith, Marietjie; Roodt, Andreas; Visser, Hendrik G.","Ambient and high-pressure kinetic investigation of methanol substitution in fac-[Re(Trop)(CO)<sub>3</sub>(MeOH)] by different monodentate nucleophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9984","9997","10.1039/c9dt01528k","","","0.71073","MoKα","","0.0435","0.0339","","","0.0713","0.0784","","","","","","1.049","","","","has coordinates","223877","2020-10-21","18:00:00",""
"7049935","16.09","0.005","6.675","0.005","14.052","0.005","90","","112.128","0.005","90","","1398","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O5 Re -","- C13 H9 N2 O5 Re -","- C52 H36 N8 O20 Re4 -","4","1","","Schutte-Smith, Marietjie; Roodt, Andreas; Visser, Hendrik G.","Ambient and high-pressure kinetic investigation of methanol substitution in fac-[Re(Trop)(CO)<sub>3</sub>(MeOH)] by different monodentate nucleophiles.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9984","9997","10.1039/c9dt01528k","","","0.71073","MoKα","","0.0339","0.0271","","","0.0539","0.0561","","","","","","1.114","","","","has coordinates","223877","2020-10-21","18:00:00",""
"7049936","9.7689","0.0007","13.2332","0.0009","21.5","0.0012","97.719","0.005","102.325","0.005","105.93","0.006","2555.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H79 N2 O P Sc Si -","- C53 H79 N2 O P Sc Si -","- C106 H158 N4 O2 P2 Sc2 Si2 -","2","1","","Yao, Tu; Xu, Pengfei; Xu, Xin","Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7743","7754","10.1039/c9dt01035a","","","0.71073","MoKα","","0.1982","0.0839","","","0.1408","0.1969","","","","","","1.023","","","","has coordinates","223822","2020-10-21","18:00:00",""
"7049937","11.2604","0.0008","13.4439","0.0009","19.4751","0.0008","97.121","0.004","104.788","0.005","102.167","0.006","2736.8","0.3","223","0.1","223","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H78 N2 O P Sc Si -","- C57 H78 N2 O P Sc Si -","- C114 H156 N4 O2 P2 Sc2 Si2 -","2","1","","Yao, Tu; Xu, Pengfei; Xu, Xin","Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7743","7754","10.1039/c9dt01035a","","","0.71073","MoKα","","0.1744","0.0733","","","0.1347","0.1873","","","","","","1.014","","","","has coordinates","223822","2020-10-21","18:00:00",""
"7049938","12.8116","0.0007","17.3758","0.0009","19.3172","0.0008","94.758","0.004","98.99","0.004","98.865","0.004","4171.4","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H82 B F20 N3 O2 P Sc -","- C91 H82 B F20 N3 O2 P Sc -","- C182 H164 B2 F40 N6 O4 P2 Sc2 -","2","1","","Yao, Tu; Xu, Pengfei; Xu, Xin","Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7743","7754","10.1039/c9dt01035a","","","0.71073","MoKα","","0.15","0.0792","","","0.1914","0.252","","","","","","1.028","","","","has coordinates,has disorder","223822","2020-10-21","18:00:00",""
"7049939","12.5176","0.0006","17.4496","0.0009","20.457","0.001","81.401","0.002","79.057","0.002","83.191","0.002","4319","0.4","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C94 H79 B Cl3 F20 N3 O P S Sc -","- C94 H79 B Cl3 F20 N3 O P S Sc -","- C188 H158 B2 Cl6 F40 N6 O2 P2 S2 Sc2 -","2","1","","Yao, Tu; Xu, Pengfei; Xu, Xin","Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7743","7754","10.1039/c9dt01035a","","","0.71073","MoKα","","0.081","0.0581","","","0.1478","0.164","","","","","","1.077","","","","has coordinates","223822","2020-10-21","18:00:00",""
"7049940","17.6536","0.0013","21.5307","0.0015","22.7521","0.0016","90","","97.834","0.008","90","","8567.2","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C181 H147 B2 F40 N4 O6 P2 Sc2 -","- C181 H147 B2 F40 N4 O6 P2 Sc2 -","- C362 H294 B4 F80 N8 O12 P4 Sc4 -","2","0.5","","Yao, Tu; Xu, Pengfei; Xu, Xin","Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7743","7754","10.1039/c9dt01035a","","","0.71073","MoKα","","0.162","0.098","","","0.2522","0.3062","","","","","","1.035","","","","has coordinates,has disorder","223822","2020-10-21","18:00:00",""
"7049941","11.53","0.006","15.232","0.008","18.522","0.01","90","","100.511","0.006","90","","3198","3","296","2","296","2","","","","","","","synthesized from dmso solution","6","P 1 21/c 1","-P 2ybc","14","pentakis(dmso)methyltin(II) perchlorate","pentakis(dimethylsulfoxide)methyltin(II) perchlorate","","- C11 H33 Cl3 O17 S5 Sn -","- C11 H33 Cl3 O17 S5 Sn -","- C44 H132 Cl12 O68 S20 Sn4 -","4","1","","Lundberg, Daniel; Persson, Ingmar","On solvated tin(iv) ions and the coordination chemistry of high-valent d<sup>10</sup> metal ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9089","9093","10.1039/c9dt01097a","","x-ray","0.71073","MoKα","","0.0332","0.0262","","","0.0648","0.0692","","","","","","1.022","","","","has coordinates,has disorder","224217","2020-10-21","18:00:00",""
"7049942","32.0061","0.001","32.0061","0.001","13.945","0.0005","90","","90","","90","","14285.1","0.8","193","2","193","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C38 H54 Al N3 -","- C38 H54 Al N3 -","- C608 H864 Al16 N48 -","16","","","Gallardo-Villagrán, Manuel; Vidal, Fernando; Palma, Pilar; Alvarez González, Eleuterio; Chen, Eugene; Campora, Juan; Rodríguez Delgado, Antonio","Aluminium (III) dialkyl 2,6-bisimino-4R-dihydropyridinates(-1): Selective Synthesis, Structure and Controlled Dimerization.","Dalton Transactions","2019","","","","","10.1039/C9DT00847K","","","0.71073","MoKα","","0.0939","0.048","","","0.1228","0.1384","","","","","","0.975","","","","has coordinates,has disorder","214924","2020-10-21","18:00:00",""
"7049943","10.5741","0.0014","12.4548","0.0016","16.27","0.002","74.182","0.003","76.401","0.003","75.5","0.004","1963.6","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H122 Al2 N6 -","- C82 H122 Al2 N6 -","- C82 H122 Al2 N6 -","1","0.5","","Gallardo-Villagrán, Manuel; Vidal, Fernando; Palma, Pilar; Alvarez González, Eleuterio; Chen, Eugene; Campora, Juan; Rodríguez Delgado, Antonio","Aluminium (III) dialkyl 2,6-bisimino-4R-dihydropyridinates(-1): Selective Synthesis, Structure and Controlled Dimerization.","Dalton Transactions","2019","","","","","10.1039/C9DT00847K","","","0.71073","MoKα","","0.1224","0.069","","","0.1571","0.1784","","","","","","1.062","","","","has coordinates,has disorder","214924","2020-10-21","18:00:00",""
"7049944","13.232","0.0004","16.7149","0.0005","19.4032","0.0006","90","","102.451","0.001","90","","4190.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H116 Al2 Cl4 N6 -","- C86 H116 Al2 Cl4 N6 -","- C172 H232 Al4 Cl8 N12 -","2","0.5","","Gallardo-Villagrán, Manuel; Vidal, Fernando; Palma, Pilar; Alvarez González, Eleuterio; Chen, Eugene; Campora, Juan; Rodríguez Delgado, Antonio","Aluminium (III) dialkyl 2,6-bisimino-4R-dihydropyridinates(-1): Selective Synthesis, Structure and Controlled Dimerization.","Dalton Transactions","2019","","","","","10.1039/C9DT00847K","","","0.71073","MoKα","","0.0527","0.0431","","","0.1147","0.1204","","","","","","1.084","","","","has coordinates,has disorder","214924","2020-10-21","18:00:00",""
"7049945","10.5227","0.0004","12.9748","0.0005","14.3537","0.0004","76.253","0.003","84.98","0.003","84.373","0.003","1890.22","0.12","100.1","0.2","100.1","0.2","","","","","","","","5","P -1","-P 1","2","","","","- H48 Ho Mo8 N5 O41 -","- Ho Mo8 O46 -","- Ho2 Mo16 O92 -","2","1","","Kaczmarek, Anna M.; Van Deun, Rik; Van Hecke, Kristof","Holmium, thulium and lutetium-octamolybdate [Mo<sub>8</sub>O<sub>28</sub>]<sup>8-</sup> 1D chains: luminescence investigation of europium doped lutetium-octamolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8186","8192","10.1039/c9dt00695h","","x-ray","1.54184","CuKα","","0.0791","0.0682","","","0.1807","0.1875","","","","","","1.074","","","","has coordinates","224424","2020-10-21","18:00:00",""
"7049946","10.5985","0.0002","12.9686","0.0003","14.4308","0.0003","76.014","0.002","85.818","0.001","84.545","0.002","1913.4","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H34 Mo8 N5 O40 Tm -","- Mo8 O45 Tm -","- Mo16 O90 Tm2 -","2","1","","Kaczmarek, Anna M.; Van Deun, Rik; Van Hecke, Kristof","Holmium, thulium and lutetium-octamolybdate [Mo<sub>8</sub>O<sub>28</sub>]<sup>8-</sup> 1D chains: luminescence investigation of europium doped lutetium-octamolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8186","8192","10.1039/c9dt00695h","","x-ray","0.71073","MoKα","","0.0612","0.0436","","","0.1014","0.112","","","","","","1.037","","","","has coordinates,has disorder","224424","2020-10-21","18:00:00",""
"7049947","10.509","0.0004","12.9322","0.0003","14.3629","0.0004","76.258","0.002","84.894","0.003","84.37","0.003","1882.6","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H34 Lu Mo8 N5 O40 -","- Lu Mo8 O45.072 -","- Lu2 Mo16 O90.144 -","2","1","","Kaczmarek, Anna M.; Van Deun, Rik; Van Hecke, Kristof","Holmium, thulium and lutetium-octamolybdate [Mo<sub>8</sub>O<sub>28</sub>]<sup>8-</sup> 1D chains: luminescence investigation of europium doped lutetium-octamolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8186","8192","10.1039/c9dt00695h","","x-ray","0.71073","MoKα","","0.0816","0.05","","","0.0937","0.1102","","","","","","1.039","","","","has coordinates,has disorder","224424","2020-10-21","18:00:00",""
"7049948","4.841","0.0006","23.11","0.002","24.261","0.002","90","","93.418","0.002","90","","2709.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 Mn N10 O4 -","- C60 H40 Mn N10 O4 -","- C120 H80 Mn2 N20 O8 -","2","0.5","","Feng, Dou-Dou; Zhao, Yu-Di; Wang, Xiao-Qing; Fang, Dong-Dong; Tang, Jing; Fan, Li-Ming; Yang, Jie","Two novel metal-organic frameworks based on pyridyl-imidazole-carboxyl multifunctional ligand: selective CO<sub>2</sub> capture and multiresponsive luminescence sensor.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10892","10900","10.1039/c9dt01430f","","","1.54178","CuKα","","0.2412","0.1069","","","0.2523","0.3287","","","","","","0.941","","","","has coordinates,has disorder","223763","2020-10-21","18:00:00",""
"7049949","10.9021","0.0009","9.935","0.0008","23.75","0.002","90","","113.146","0.004","90","","2365.4","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Ag N5 O2 -","- C30 H20 Ag N5 O2 -","- C120 H80 Ag4 N20 O8 -","4","1","","Feng, Dou-Dou; Zhao, Yu-Di; Wang, Xiao-Qing; Fang, Dong-Dong; Tang, Jing; Fan, Li-Ming; Yang, Jie","Two novel metal-organic frameworks based on pyridyl-imidazole-carboxyl multifunctional ligand: selective CO<sub>2</sub> capture and multiresponsive luminescence sensor.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10892","10900","10.1039/c9dt01430f","","","0.71073","MoKα","","0.0784","0.042","","","0.0731","0.0817","","","","","","0.865","","","","has coordinates","223763","2020-10-21","18:00:00",""
"7049950","14.1393","0.0009","15.1768","0.0009","16.3072","0.0011","86.094","0.002","74.051","0.002","76.567","0.002","3272.6","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C133 H102 Cl18 Ge8 N20 -","- C133 H102 Cl18 Ge8 N20 -","- C133 H102 Cl18 Ge8 N20 -","1","0.5","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0598","0.0375","","","0.0839","0.0973","","","","","","1.07","","","","has coordinates,has disorder","223838","2020-10-21","18:00:00",""
"7049951","13.6605","0.0008","14.1678","0.0009","19.8848","0.0014","82.572","0.002","76.13","0.002","62.991","0.002","3327.9","0.4","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H62 Cl6 Ge2 N10 Ni O1.5 -","- C72 H62 Cl6 Ge2 N10 Ni O1.5 -","- C144 H124 Cl12 Ge4 N20 Ni2 O3 -","2","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0599","0.0403","","","0.0919","0.1055","","","","","","1.031","","","","has coordinates,has disorder","223838","2020-10-21","18:00:00",""
"7049952","7.4012","0.0004","13.5942","0.0008","16.4392","0.0009","80.1799","0.0019","87.4275","0.0019","79.968","0.002","1604.66","0.16","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl4 N5 Sn2 -","- C33 H25 Cl4 N5 Sn2 -","- C66 H50 Cl8 N10 Sn4 -","2","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0256","0.022","","","0.0526","0.0553","","","","","","1.192","","","","has coordinates","223838","2020-10-21","18:00:00",""
"7049953","8.9182","0.0008","14.4073","0.0013","16.3208","0.0014","73.936","0.003","80.147","0.003","75.525","0.003","1939.4","0.3","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H21 Cl4 F12 Ge2 N5 -","- C37 H21 Cl4 F12 Ge2 N5 -","- C74 H42 Cl8 F24 Ge4 N10 -","2","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0707","0.0632","","","0.1738","0.1787","","","","","","1.073","","","","has coordinates,has disorder","223838","2020-10-21","18:00:00",""
"7049954","9.1861","0.0013","13.4274","0.0018","17.478","0.002","75.357","0.004","80.979","0.004","79.243","0.004","2035.5","0.5","170.2","","170.2","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H21 Cl4 F12 N5 Sn2 -","- C37 H21 Cl4 F12 N5 Sn2 -","- C74 H42 Cl8 F24 N10 Sn4 -","2","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0715","0.0617","","","0.1484","0.1594","","","","","","1.098","","","","has coordinates,has disorder","223838","2020-10-21","18:00:00",""
"7049955","10.4493","0.0007","12.5471","0.0007","16.9264","0.001","90","","96.429","0.002","90","","2205.2","0.2","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 Cl4 Ge2 N3 O2 -","- C19 H11 Cl4 Ge2 N3 O2 -","- C76 H44 Cl16 Ge8 N12 O8 -","4","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0322","0.0268","","","0.0635","0.0673","","","","","","1.049","","","","has coordinates","223838","2020-10-21","18:00:00",""
"7049956","8.9152","0.0004","13.6048","0.0006","14.3903","0.0007","117.364","0.001","95.94","0.001","90.187","0.001","1539.21","0.12","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H25 Cl F3 Ge N5 O3 S -","- C34 H25 Cl F3 Ge N5 O3 S -","- C68 H50 Cl2 F6 Ge2 N10 O6 S2 -","2","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0382","0.0312","","","0.0776","0.0828","","","","","","1.04","","","","has coordinates","223838","2020-10-21","18:00:00",""
"7049957","14.776","0.011","12.477","0.011","20.178","0.016","90","","111.21","0.02","90","","3468","5","170","","169.94","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H25 F6 N5 O6 S2 Sn -","- C35 H25 F6 N5 O6 S2 Sn -","- C140 H100 F24 N20 O24 S8 Sn4 -","4","2","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0322","0.0294","","","0.0666","0.0676","","","","","","1.125","","","","has coordinates","223838","2020-10-21","18:00:00",""
"7049958","10.4681","0.0007","16.486","0.0009","15.2025","0.0009","90","","94.718","0.002","90","","2614.7","0.3","220","","220","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl4 Ge2 N5 -","- C25 H21 Cl4 Ge2 N5 -","- C100 H84 Cl16 Ge8 N20 -","4","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0796","0.0415","","","0.0824","0.1009","","","","","","1.144","","","","has coordinates,has disorder","223838","2020-10-21","18:00:00",""
"7049959","13.735","0.0007","14.0932","0.0008","19.9403","0.0012","82.18","0.002","76.134","0.002","63.862","0.002","3362.1","0.3","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H59 Cl6 N10 Ni O1.5 Sn2 -","- C72 H59 Cl6 N10 Ni O1.5 Sn2 -","- C144 H118 Cl12 N20 Ni2 O3 Sn4 -","2","1","","Swidan, Ala'aeddeen; St Onge, P Blake J; Binder, Justin F.; Suter, Riccardo; Burford, Neil; Macdonald, Charles L. B.","2,6-Bis(benzimidazol-2-yl)pyridine complexes of group 14 elements.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7835","7843","10.1039/c9dt00995g","","","0.71073","MoKα","","0.0607","0.0378","","","0.0781","0.0917","","","","","","1.099","","","","has coordinates,has disorder","223838","2020-10-21","18:00:00",""
"7049960","9.9182","0.0006","13.4256","0.0008","14.5907","0.0008","66.621","0.006","71.534","0.005","72.517","0.005","1657.12","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H28 F3 Mo N3 O7 S -","- C34 H28 F3 Mo N3 O7 S -","- C68 H56 F6 Mo2 N6 O14 S2 -","2","1","","Quintal, Susana; Pires da Silva, Maria João; Martins, Soraia R. M.; Sales, Rita; Félix, Vítor; Drew, Michael G. B.; Meireles, Margarida; Mourato, Ana C.; Nunes, Carla D.; Saraiva, Marta S.; Machuqueiro, Miguel; Calhorda, Maria José","Molybdenum(ii) complexes with p-substituted BIAN ligands: synthesis, characterization, biological activity and computational study.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8449","8463","10.1039/c9dt00469f","","","0.71073","MoKα","","0.0278","0.0248","","","0.0605","0.0616","","","","","","1.06","","","","has coordinates,has disorder","224426","2020-10-21","18:00:00",""
"7049961","10.2544","0.0017","11.748","0.002","12.826","0.002","78.519","0.009","68.136","0.008","68.329","0.008","1329.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br Mo N2 O2 -","- C31 H25 Br Mo N2 O2 -","- C62 H50 Br2 Mo2 N4 O4 -","2","1","","Quintal, Susana; Pires da Silva, Maria João; Martins, Soraia R. M.; Sales, Rita; Félix, Vítor; Drew, Michael G. B.; Meireles, Margarida; Mourato, Ana C.; Nunes, Carla D.; Saraiva, Marta S.; Machuqueiro, Miguel; Calhorda, Maria José","Molybdenum(ii) complexes with p-substituted BIAN ligands: synthesis, characterization, biological activity and computational study.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8449","8463","10.1039/c9dt00469f","","","0.71073","MoKα","","0.0245","0.0203","","","0.0509","0.0528","","","","","","1.037","","","","has coordinates,has disorder","224426","2020-10-21","18:00:00",""
"7049962","18.3","0.02","14.35","0.019","6.661","0.009","90","","99.09","0.02","90","","1727","4","100","","100","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H19 Co3 N O14 -","- C21 H19 Co3 N O14 -","- C42 H38 Co6 N2 O28 -","2","0.5","","Ding, Tao; Zhang, Sheng; Zhang, Weiqiang; Zhang, Guofang; Gao, Zi-Wei","Highly selective C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> capture and magnetic properties of a robust Co-chain based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7938","7945","10.1039/c9dt00510b","","","0.71073","MoKα","","0.0573","0.0502","","","0.1281","0.1343","","","","","","1.049","","","","has coordinates","223837","2020-10-21","18:00:00",""
"7049963","12.991","0.0006","12.991","0.0006","23.1099","0.0012","90","","90","","120","","3377.6","0.3","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","Compound 1","","- C H0 N6 Na6 O73 V15 -","- C N6 Na6 O73 V15 -","- C2 N12 Na12 O146 V30 -","2","0.166667","","Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Das, Samar K.","Carbonate encapsulation from dissolved atmospheric CO<sub>2</sub> into a polyoxovanadate capsule.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8773","8781","10.1039/c9dt01103j","","","0.71073","MoKα","","0.0313","0.0285","","","0.0769","0.0788","","","","","","1.085","","","","has coordinates","223785","2020-10-21","18:00:00",""
"7049964","13.5755","0.0011","15.6401","0.0014","14.707","0.002","90","","93.344","0.007","90","","3117.3","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 Au N2 O -","- C35 H43 Au N2 O -","- C140 H172 Au4 N8 O4 -","4","1","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.0327","0.0228","","","0.0483","0.0516","","","","","","1.011","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7049965","17.633","0.003","19.164","0.003","17.699","0.003","90","","90","","90","","5980.8","1.7","173","","173","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29.5 H41 Au N3 O2 -","- C29.5 H41 Au N3 O2 -","- C236 H328 Au8 N24 O16 -","8","0.5","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.0239","0.0207","","","0.0623","0.0639","","","","","","1.077","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7049966","18.36","0.0011","19.2696","0.0014","16.5604","0.0012","90","","91.999","0.002","90","","5855.3","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H39 Au Cl N3 -","- C29.5 H39 Au Cl N3 -","- C236 H312 Au8 Cl8 N24 -","8","2","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.0277","0.0209","","","0.0491","0.051","","","","","","1.079","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7049967","9.0077","0.0006","9.9502","0.0008","17.9844","0.0018","82.893","0.007","86.365","0.008","66.36","0.005","1465.1","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H40 Au N3 O2 -","- C29 H40 Au N3 O2 -","- C58 H80 Au2 N6 O4 -","2","1","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.0465","0.0389","","","0.0903","0.093","","","","","","1.084","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7049968","9.124","0.002","10.042","0.002","18.195","0.004","95.388","0.002","95.668","0.003","116.658","0.005","1464.6","0.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 Au N4 -","- C30 H37 Au N4 -","- C60 H74 Au2 N8 -","2","1","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.0645","0.0603","","","0.1591","0.1609","","","","","","1.017","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7049969","9.4018","0.001","17.0518","0.0016","10.6058","0.0012","90","","107.126","0.003","90","","1624.9","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H42 Au N3 -","- C35 H42 Au N3 -","- C70 H84 Au2 N6 -","2","1","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.023","0.0194","","","0.0368","0.0374","","","","","","0.918","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7049970","10.5855","0.0001","11.9856","0.0001","16.2221","0.0002","81.575","0.001","87.14","0.001","77.417","0.001","1986.7","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N4 O Yb -","- C44 H64 N4 O Yb -","- C88 H128 N8 O2 Yb2 -","2","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Del Rosal, Iker; Maron, Laurent; Trifonov, Alexander A.","Alternative (κ<sup>1</sup>-N:η<sup>6</sup>-arene vs.κ<sup>2</sup>-N,N) coordination of a sterically demanding amidinate ligand: are size and electronic structure of the Ln ion decisive factors?","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8317","8326","10.1039/c9dt01162e","","","0.71073","MoKα","","0.0272","0.0232","","","0.0503","0.0521","","","","","","1.04","","","","has coordinates,has disorder","224437","2020-10-21","18:00:00",""
"7049971","10.0868","0.0007","27.7319","0.0018","17.9352","0.0012","90","","90.184","0.001","90","","5016.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H73 I2 N4 O2 Yb -","- C48 H73 I2 N4 O2 Yb -","- C192 H292 I8 N16 O8 Yb4 -","4","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Del Rosal, Iker; Maron, Laurent; Trifonov, Alexander A.","Alternative (κ<sup>1</sup>-N:η<sup>6</sup>-arene vs.κ<sup>2</sup>-N,N) coordination of a sterically demanding amidinate ligand: are size and electronic structure of the Ln ion decisive factors?","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8317","8326","10.1039/c9dt01162e","","","0.71073","MoKα","","0.039","0.0318","","","0.0768","0.0802","","","","","","1.055","","","","has coordinates,has disorder","224437","2020-10-21","18:00:00",""
"7049972","19.7507","0.0009","13.1135","0.0006","20.8949","0.001","90","","99.274","0.001","90","","5341.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Cl3 La Li2 N4 O3 -","- C52 H80 Cl3 La Li2 N4 O3 -","- C208 H320 Cl12 La4 Li8 N16 O12 -","4","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Del Rosal, Iker; Maron, Laurent; Trifonov, Alexander A.","Alternative (κ<sup>1</sup>-N:η<sup>6</sup>-arene vs.κ<sup>2</sup>-N,N) coordination of a sterically demanding amidinate ligand: are size and electronic structure of the Ln ion decisive factors?","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8317","8326","10.1039/c9dt01162e","","","0.71073","MoKα","","0.0238","0.0213","","","0.0528","0.0541","","","","","","1.004","","","","has coordinates,has disorder","224437","2020-10-21","18:00:00",""
"7049973","13.8933","0.0007","16.1925","0.0009","41.208","0.002","90","","92.234","0.001","90","","9263.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H129 Cl5 La3 N8 O3.5 -","- C91.5 H129 Cl5 La3 N8 O3.5 -","- C366 H516 Cl20 La12 N32 O14 -","4","1","","Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Del Rosal, Iker; Maron, Laurent; Trifonov, Alexander A.","Alternative (κ<sup>1</sup>-N:η<sup>6</sup>-arene vs.κ<sup>2</sup>-N,N) coordination of a sterically demanding amidinate ligand: are size and electronic structure of the Ln ion decisive factors?","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8317","8326","10.1039/c9dt01162e","","","0.71073","MoKα","","0.1275","0.0875","","","0.1335","0.1451","","","","","","1.135","","","","has coordinates,has disorder","224437","2020-10-21","18:00:00",""
"7049974","44.658","0.006","17.592","0.002","31.006","0.005","90","","133.755","0.003","90","","17595","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C188 H232 Au2 Cl2 O P8 -","- C188 H232 Au2 Cl2 O P8 -","- C752 H928 Au8 Cl8 O4 P32 -","4","0.5","","Osawa, Masahisa; Yamayoshi, Hiroto; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Luminescence color alteration induced by trapped solvent molecules in crystals of tetrahedral gold(i) complexes: near-unity luminescence mixed with thermally activated delayed fluorescence and phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9094","9103","10.1039/c9dt01373c","","","0.71073","MoKα","","0.0307","0.0267","","","0.0755","0.0789","","","","","","1.064","","","","has coordinates,has disorder","224199","2020-10-21","18:00:00",""
"7049975","15.891","0.002","17.78","0.003","19.707","0.003","100.322","0.002","106.859","0.002","111.24","0.002","4707.9","1.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C187 H230 Au2 Cl8 O5 P8 -","- C187 H230 Au2 Cl8 O5 P8 -","- C187 H230 Au2 Cl8 O5 P8 -","1","0.5","","Osawa, Masahisa; Yamayoshi, Hiroto; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Luminescence color alteration induced by trapped solvent molecules in crystals of tetrahedral gold(i) complexes: near-unity luminescence mixed with thermally activated delayed fluorescence and phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9094","9103","10.1039/c9dt01373c","","","0.71073","MoKα","","0.0631","0.0541","","","0.1443","0.1514","","","","","","1.035","","","","has coordinates,has disorder","224199","2020-10-21","18:00:00",""
"7049976","15.4826","0.0019","21.679","0.003","27.598","0.003","90","","90.093","0.002","90","","9263","2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H127 Au Cl O2 P4 -","- C99 H127 Au Cl O2 P4 -","- C396 H508 Au4 Cl4 O8 P16 -","4","1","","Osawa, Masahisa; Yamayoshi, Hiroto; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Luminescence color alteration induced by trapped solvent molecules in crystals of tetrahedral gold(i) complexes: near-unity luminescence mixed with thermally activated delayed fluorescence and phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9094","9103","10.1039/c9dt01373c","","","0.71073","MoKα","","0.0473","0.0424","","","0.1061","0.1098","","","","","","1.019","","","","has coordinates,has disorder","224199","2020-10-21","18:00:00",""
"7049977","7.6983","0.0015","11.726","0.002","11.813","0.002","84.3","0.03","80.53","0.03","78.47","0.03","1028.2","0.3","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 N6 -","- C48 H50 N6 -","- C48 H50 N6 -","1","0.5","","Chen, Qiang; Suo, Hongyi; Zhang, Wenjuan; Zhang, Randi; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","1,5-Naphthyl-linked bis(imino)pyridines as binucleating scaffolds for dicobalt ethylene oligo-/polymerization catalysts: exploring temperature and steric effects.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8264","8278","10.1039/c9dt01235d","","","0.71073","MoKα","","0.1357","0.1107","","","0.1945","0.2069","","","","","","1.264","","","","has coordinates,has disorder","224429","2020-10-21","18:00:00",""
"7049978","11.308","0.002","16.96","0.003","14.939","0.003","90","","102.13","0.03","90","","2801.1","1","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Cl4 Co2 N8 O2 -","- C56 H68 Cl4 Co2 N8 O2 -","- C112 H136 Cl8 Co4 N16 O4 -","2","0.5","","Chen, Qiang; Suo, Hongyi; Zhang, Wenjuan; Zhang, Randi; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","1,5-Naphthyl-linked bis(imino)pyridines as binucleating scaffolds for dicobalt ethylene oligo-/polymerization catalysts: exploring temperature and steric effects.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8264","8278","10.1039/c9dt01235d","","","0.71073","MoKα","","0.1171","0.1034","","","0.1621","0.1674","","","","","","1.372","","","","has coordinates","224429","2020-10-21","18:00:00",""
"7049979","15.6201","0.0009","12.17","0.0006","17.5668","0.0009","90","","115.995","0.007","90","","3001.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Cl4 Co2 N8 O4 -","- C52 H58 Cl4 Co2 N6 -","- C104 H116 Cl8 Co4 N12 -","2","0.5","","Chen, Qiang; Suo, Hongyi; Zhang, Wenjuan; Zhang, Randi; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","1,5-Naphthyl-linked bis(imino)pyridines as binucleating scaffolds for dicobalt ethylene oligo-/polymerization catalysts: exploring temperature and steric effects.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8264","8278","10.1039/c9dt01235d","","","0.71073","MoKα","","0.1362","0.0844","","","0.1888","0.2157","","","","","","1.024","","","","has coordinates,has disorder","224429","2020-10-21","18:00:00",""
"7049980","11.684","0.004","11.091","0.004","20.735","0.01","90","","90.096","0.007","90","","2687","1.9","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Fe N6 O8 S2 -","- C24 H32 Fe N6 O8 S2 -","- C96 H128 Fe4 N24 O32 S8 -","4","0.5","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.1023","0.0858","","","0.1925","0.2008","","","","","","1.059","","","","has coordinates,has disorder","223787","2020-10-21","18:00:00",""
"7049981","11.852","0.003","11.24","0.002","21.146","0.004","90","","92.452","0.004","90","","2814.4","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Fe N6 O8 S2 -","- C24 H32 Fe N6 O8 S2 -","- C96 H128 Fe4 N24 O32 S8 -","4","0.5","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0644","0.0518","","","0.1404","0.1517","","","","","","1.029","","","","has coordinates,has disorder","223787","2020-10-21","18:00:00",""
"7049982","10.291","0.003","10.517","0.003","16.442","0.004","104.274","0.004","92.164","0.004","93.929","0.005","1717.8","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Fe N9 O10 S2 -","- C30 H33 Fe N9 O10 S2 -","- C60 H66 Fe2 N18 O20 S4 -","2","1","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0589","0.0462","","","0.1277","0.1373","","","","","","1.028","","","","has coordinates","223787","2020-10-21","18:00:00",""
"7049983","8.2237","0.0011","11.4238","0.0016","18.808","0.002","83.426","0.004","81.647","0.004","82.658","0.004","1725.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Fe N8 O8 S2 -","- C30 H42 Fe N8 O8 S2 -","- C60 H84 Fe2 N16 O16 S4 -","2","1","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0857","0.0588","","","0.1646","0.1818","","","","","","1.028","","","","has coordinates,has disorder","223787","2020-10-21","18:00:00",""
"7049984","15.888","0.005","12.054","0.004","17.256","0.005","90","","94.843","0.005","90","","3293","1.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H77.39 Fe2 N12 O20.7 S4 -","- C52 H77.3936 Fe2 N12 O20.7028 S4 -","- C104 H154.787 Fe4 N24 O41.4056 S8 -","2","0.5","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0549","0.0394","","","0.1106","0.1231","","","","","","1.042","","","","has coordinates,has disorder","223787","2020-10-21","18:00:00",""
"7049985","10.2373","0.0007","10.3544","0.0007","16.2287","0.0011","103.854","0.002","92.541","0.002","93.254","0.002","1664.5","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Fe N9 O10 S2 -","- C30 H33 Fe N9 O10 S2 -","- C60 H66 Fe2 N18 O20 S4 -","2","1","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0704","0.0603","","","0.1594","0.1678","","","","","","1.05","","","","has coordinates","223787","2020-10-21","18:00:00",""
"7049986","15.7344","0.001","11.92","0.0007","17.1552","0.001","90","","94.785","0.002","90","","3206.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H38.78 Fe N6 O10.39 S2 -","- C26 H38.7768 Fe N6 O10.3884 S2 -","- C104 H155.107 Fe4 N24 O41.5536 S8 -","4","1","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0708","0.0494","","","0.1197","0.1314","","","","","","1.031","","","","has coordinates,has disorder","223787","2020-10-21","18:00:00",""
"7049987","8.1701","0.0014","11.0096","0.0019","18.996","0.003","81.957","0.004","82.96","0.004","83.269","0.004","1670.4","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Fe N8 O8 S2 -","- C30 H42 Fe N8 O8 S2 -","- C60 H84 Fe2 N16 O16 S4 -","2","1","","Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi","Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8815","8825","10.1039/c9dt01326a","","","0.71073","MoKα","","0.0698","0.0545","","","0.1528","0.1633","","","","","","1.031","","","","has coordinates","223787","2020-10-21","18:00:00",""
"7049988","9.0833","0.0013","9.9973","0.0015","14.468","0.002","103.039","0.007","93.097","0.007","97.532","0.006","1264.1","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H29 Cl2 Co N7 O5 -","- C17 H29 Cl2 Co N7 O5 -","- C34 H58 Cl4 Co2 N14 O10 -","2","1","","Pradhan, Rabindra N.; Chakraborty, Subhayan; Bharti, Pratibha; Kumar, Janesh; Ghosh, Arindam; Singh, Akhilesh K.","Seven coordinate Co(ii) and six coordinate Ni(ii) complexes of an aromatic macrocyclic triamide ligand as paraCEST agents for MRI.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8899","8910","10.1039/c9dt00747d","","","0.71073","MoKα","","0.1463","0.1013","","","0.3153","0.3545","","","","","","1.163","","","","has coordinates","223799","2020-10-21","18:00:00",""
"7049989","11.155","0.0009","14.467","0.0011","16.4988","0.0012","65.327","0.003","71.425","0.003","78.726","0.003","2287.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H54 Cl4 N14 Ni2 O6.5 -","- C34 H54 Cl4 N14 Ni2 O6.5 -","- C68 H108 Cl8 N28 Ni4 O13 -","2","1","","Pradhan, Rabindra N.; Chakraborty, Subhayan; Bharti, Pratibha; Kumar, Janesh; Ghosh, Arindam; Singh, Akhilesh K.","Seven coordinate Co(ii) and six coordinate Ni(ii) complexes of an aromatic macrocyclic triamide ligand as paraCEST agents for MRI.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8899","8910","10.1039/c9dt00747d","","","0.71073","MoKα","","0.0638","0.0526","","","0.1702","0.1815","","","","","","1.04","","","","has coordinates","223799","2020-10-21","18:00:00",""
"7049990","18.1215","0.0007","17.446","0.0006","31.4395","0.0011","90","","98.526","0.001","90","","9829.7","0.6","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","[Ni5(Tspnda)4](PF6)","ic18251_sq","","- C85 H71 Cl4.23 F4.61 N21 Ni5 O9 P0.77 S4 -","- C85 H71 Cl4.231 F4.614 N21 Ni5 O9 P0.769 S4 -","- C340 H284 Cl16.924 F18.456 N84 Ni20 O36 P3.076 S16 -","4","1","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.0742","0.058","","","0.1575","0.1766","","","","","","1.027","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049991","16.422","0.0007","16.8719","0.0008","22.4552","0.001","73.637","0.0014","76.3465","0.0016","76.099","0.0018","5699.4","0.4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C109.5 H87 Cl11 F6 N20 Ni5 O8 P S4 -","- C109.5 H87 Cl11 F6 N20 Ni5 O8 P S4 -","- C219 H174 Cl22 F12 N40 Ni10 O16 P2 S8 -","2","1","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.0927","0.0696","","","0.1867","0.2046","","","","","","1.034","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049992","14.6531","0.0005","18.6083","0.0006","23.8981","0.0006","86.3807","0.001","88.3058","0.001","71.2244","0.0011","6156.9","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C112 H92 Cl16 F12 N20 Ni5 O8 P2 S4 -","- C112 H92 Cl16 F12 N20 Ni5 O8 P2 S4 -","- C224 H184 Cl32 F24 N40 Ni10 O16 P4 S8 -","2","1","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.0682","0.0535","","","0.1314","0.144","","","","","","1.017","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049993","32.1417","0.0007","13.4697","0.0003","23.6404","0.0005","90","","96.784","0.0006","90","","10163.2","0.4","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","ic18554","","- C86 H72 Cl12 F12 N20 Ni5 O8 P2 S4 -","- C86 H72 Cl12 F12 N20 Ni5 O8 P2 S4 -","- C344 H288 Cl48 F48 N80 Ni20 O32 P8 S16 -","4","0.5","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.093","0.069","","","0.1898","0.2188","","","","","","1.047","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049994","27.2637","0.0006","27.2637","0.0006","50.663","0.001","90","","90","","90","","37658.3","1.4","150","2","150","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C83 H64 F12 N20 Ni5 O13 P2 S4 -","- C83 H64 F12 N20 Ni5 O13 P2 S4 -","- C1328 H1024 F192 N320 Ni80 O208 P32 S64 -","16","","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.0787","0.0551","","","0.1487","0.164","","","","","","1.045","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049995","25.0742","0.0009","14.4767","0.0006","18.9389","0.0007","90","","90.625","0.002","90","","6874.3","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","ic18492","","- C59 H46 Cl2 F6 N20 Ni5 O14 S6 -","- C59 H46 Cl2 F6 N20 Ni5 O14 S6 -","- C236 H184 Cl8 F24 N80 Ni20 O56 S24 -","4","0.5","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","1.54178","CuKα","","0.1452","0.1066","","","0.299","0.3373","","","","","","1.206","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049996","16.2704","0.0005","37.9133","0.0011","16.4754","0.0005","90","","104.914","0.0008","90","","9820.7","0.5","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","ic18032","","- C91 H83 Cl8 F6 N20 Ni5 O8 P S4 -","- C91 H83 Cl8 F6 N20 Ni5 O8 P S4 -","- C364 H332 Cl32 F24 N80 Ni20 O32 P4 S16 -","4","1","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","0.71073","MoKα","","0.1095","0.0713","","","0.1545","0.1717","","","","","","1.068","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049997","14.1494","0.0004","17.0242","0.0006","17.9497","0.0006","76.2023","0.0016","72.4156","0.0014","78.5677","0.0014","3965.4","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","ic18592","","- C65 H64 Cl6 F6 N22 Ni5 O10 P S4 -","- C65 H64 Cl6 F6 N22 Ni5 O10 P S4 -","- C130 H128 Cl12 F12 N44 Ni10 O20 P2 S8 -","2","1","","Chiu, Cheng-Chang; Lee, Gene-Hsiang; Lin, Tien-Sung; Peng, Shie-Ming","Ligand Effects on the Structure, Mixed-valence Sites and Magnetic Properties of Novel Pentanickel String Complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01363F","","","1.54178","CuKα","","0.1013","0.0879","","","0.2646","0.2859","","","","","","1.036","","","","has coordinates,has disorder","214997","2020-10-21","18:00:00",""
"7049998","18.285","0.004","9.0803","0.0018","18.993","0.004","90","","99.73","0.03","90","","3108.1","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Cl2 Co N3 -","- C33 H41 Cl2 Co N3 -","- C132 H164 Cl8 Co4 N12 -","4","1","","Zhang, Randi; Huang, Yongfeng; Solan, Gregory A.; Zhang, Wenjuan; Hu, Xinquan; Hao, Xiang; Sun, Wen-Hua","gem-Dimethyl-substituted bis(imino)dihydroquinolines as thermally stable supports for highly active cobalt catalysts that produce linear PE waxes.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8175","8185","10.1039/c9dt01345h","","","0.71073","MoKα","","0.0688","0.0613","","","0.1392","0.1445","","","","","","1.113","","","","has coordinates,has disorder","224423","2020-10-21","18:00:00",""
"7049999","50.737","0.01","9.3904","0.0019","18.027","0.004","90","","103.26","0.03","90","","8360","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H53 Cl6 Co N3 -","- C39 H53 Cl6 Co N3 -","- C312 H424 Cl48 Co8 N24 -","8","1","","Zhang, Randi; Huang, Yongfeng; Solan, Gregory A.; Zhang, Wenjuan; Hu, Xinquan; Hao, Xiang; Sun, Wen-Hua","gem-Dimethyl-substituted bis(imino)dihydroquinolines as thermally stable supports for highly active cobalt catalysts that produce linear PE waxes.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8175","8185","10.1039/c9dt01345h","","","0.71073","MoKα","","0.1209","0.1107","","","0.228","0.234","","","","","","1.265","","","","has coordinates","224423","2020-10-21","18:00:00",""
"7057891","10.1494","0.0006","7.7078","0.0005","15.2882","0.0007","90","","101.259","0.006","90","","1172.97","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","1.54184","CuKα","","0.0516","0.037","","","0.092","0.1027","","","","","","1.024","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057892","12.8485","0.0003","14.2133","0.0003","21.2613","0.0005","90","","106.297","0.002","90","","3726.72","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 B Cu F4 N5 O2.3 -","- C38 H39 B Cu F4 N5 O2.3 -","- C152 H156 B4 Cu4 F16 N20 O9.2 -","4","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","0.71073","MoKα","","0.0647","0.0484","","","0.1181","0.1302","","","","","","1.019","","","","has coordinates,has disorder","224746","2020-10-21","18:00:00",""
"7057893","6.9194","0.0004","8.6089","0.0005","24.9101","0.0016","90","","96.141","0.006","90","","1475.34","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","0.71073","MoKα","","0.0516","0.0444","","","0.1101","0.1158","","","","","","1.03","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057894","8.1114","0.0002","16.2246","0.0004","19.1312","0.0004","90","","95.696","0.002","90","","2505.32","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Br N2 O -","- C15 H11 Br N2 O -","- C120 H88 Br8 N16 O8 -","8","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0399","0.0346","","","0.0907","0.0955","","","","","","1.05","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057895","8.4797","0.0001","15.0831","0.0002","28.0078","0.0004","90","","93.36","0.001","90","","3576.04","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C168 H192 N16 O8 -","8","2","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0445","0.0378","","","0.0972","0.1024","","","","","","1.027","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057896","9.6713","0.0004","9.0619","0.0004","15.8838","0.0007","90","","90","","90","","1392.06","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","0.71073","MoKα","","0.0311","0.0299","","","0.0741","0.0751","","","","","","1.071","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057897","13.6078","0.0003","19.5284","0.0006","11.3494","0.0003","90","","108.884","0.003","90","","2853.64","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0455","0.0384","","","0.0975","0.1035","","","","","","1.035","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057898","9.9809","0.0007","10.7407","0.0004","14.987","0.001","73.451","0.005","78.454","0.006","86.79","0.004","1508.92","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","2","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0559","0.0435","","","0.1102","0.1209","","","","","","1.023","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057899","8.087","0.0008","9.2417","0.001","9.6103","0.001","75.944","0.009","75.005","0.009","79.112","0.009","666.9","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl2 Cu N4 O2 -","- C30 H24 Cl2 Cu N4 O2 -","- C30 H24 Cl2 Cu N4 O2 -","1","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","1.54184","CuKα","","0.033","0.0281","","","0.0704","0.0735","","","","","","1.035","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057900","17.9161","0.0009","6.9866","0.0005","21.0116","0.0009","90","","91.316","0.005","90","","2629.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Br Cu N4 O4 -","- C30 H24 Br Cu N4 O4 -","- C120 H96 Br4 Cu4 N16 O16 -","4","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0892","0.0757","","","0.1958","0.2125","","","","","","1.021","","","","has coordinates,has disorder","224746","2020-10-21","18:00:00",""
"7057901","8.905","0.0007","9.2277","0.0004","9.8071","0.0007","74.79","0.005","65.4","0.007","76.151","0.005","699.24","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl2 Cu N4 O2 -","- C32 H28 Cl2 Cu N4 O2 -","- C32 H28 Cl2 Cu N4 O2 -","1","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0468","0.0389","","","0.0959","0.103","","","","","","1.041","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057902","17.9067","0.0005","6.914","0.0002","21.1065","0.0007","90","","90.872","0.003","90","","2612.83","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cu I N4 O2 -","- C30 H24 Cu I N4 O2 -","- C120 H96 Cu4 I4 N16 O8 -","4","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","1.54184","CuKα","","0.0325","0.0312","","","0.0781","0.0796","","","","","","1.049","","","","has coordinates,has disorder","224746","2020-10-21","18:00:00",""
"7057903","15.435","0.008","8.1831","0.0015","14.316","0.006","90","","114.64","0.05","90","","1643.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl2 Cu2 N4 O2 -","- C36 H36 Cl2 Cu2 N4 O2 -","- C72 H72 Cl4 Cu4 N8 O4 -","2","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.2246","0.1451","","","0.3741","0.459","","","","","","1.372","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057904","15.4205","0.0006","7.92427","0.00019","14.738","0.0005","90","","112.819","0.004","90","","1659.98","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 Cu2 N4 O2 -","- C36 H36 Br2 Cu2 N4 O2 -","- C72 H72 Br4 Cu4 N8 O4 -","2","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","0.71073","MoKα","","0.0452","0.0332","","","0.0753","0.0816","","","","","","1.046","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057905","17.9841","0.0019","6.952","0.0008","21.036","0.002","90","","91.011","0.002","90","","2629.6","0.5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Br Cu N4 O2 -","- C30 H24 Br Cu N4 O2 -","- C120 H96 Br4 Cu4 N16 O8 -","4","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","0.71073","MoKα","","0.0687","0.0386","","","0.0874","0.0946","","","","","","0.893","","","","has coordinates,has disorder","224746","2020-10-21","18:00:00",""
"7057906","9.0075","0.0008","6.8883","0.0008","10.3867","0.0011","90","","98.932","0.008","90","","636.64","0.12","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0828","0.0694","","","0.1766","0.197","","","","","","1.062","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057907","8.6213","0.0004","9.3911","0.0005","10.1721","0.0004","90.122","0.004","97.663","0.003","115.574","0.005","734.61","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Br2 Cu2 N4 O2 -","- C32 H28 Br2 Cu2 N4 O2 -","- C32 H28 Br2 Cu2 N4 O2 -","1","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0414","0.0347","","","0.0868","0.0919","","","","","","1.045","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057908","15.509","0.0016","7.874","0.0009","15.023","0.002","90","","111.451","0.014","90","","1707.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu2 I2 N4 O2 -","- C36 H36 Cu2 I2 N4 O2 -","- C72 H72 Cu4 I4 N8 O4 -","2","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.1073","0.071","","","0.1714","0.2048","","","","","","1.014","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057909","12.79","0.0008","17.0969","0.0008","7.981","0.0005","90","","102.964","0.007","90","","1700.72","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu I N2 O -","- C20 H14 Cu I N2 O -","- C80 H56 Cu4 I4 N8 O4 -","4","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0686","0.0509","","","0.1225","0.134","","","","","","0.991","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057910","27.298","0.0004","8.22746","0.00015","14.3942","0.0003","90","","93.2951","0.0013","90","","3227.49","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Cu2 I2 N4 O2 -","- C34 H32 Cu2 I2 N4 O2 -","- C136 H128 Cu8 I8 N16 O8 -","4","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0373","0.0354","","","0.0978","0.1004","","","","","","1.065","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057911","26.9791","0.0011","8.2871","0.0003","14.1074","0.0005","90","","94.972","0.003","90","","3142.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Br2 Cu2 N4 O2 -","- C34 H32 Br2 Cu2 N4 O2 -","- C136 H128 Br8 Cu8 N16 O8 -","4","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0472","0.0386","","","0.0966","0.1049","","","","","","1.033","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057912","8.5695","0.0009","9.3493","0.0007","10.6986","0.0011","74.782","0.009","75.057","0.009","63.915","0.01","732.75","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cu I N2 O -","- C15 H12 Cu I N2 O -","- C30 H24 Cu2 I2 N4 O2 -","2","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","0.71073","MoKα","","0.0425","0.0329","","","0.0561","0.0602","","","","","","1.015","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057913","11.0842","0.0004","11.7852","0.0005","17.1333","0.0005","99.747","0.003","108.723","0.003","102.672","0.003","1997.24","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Br1.7 Cu1.7 N4 O2 -","- C42 H48 Br1.7025 Cu1.7025 N4 O2 -","- C84 H96 Br3.405 Cu3.405 N8 O4 -","2","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0575","0.0492","","","0.1232","0.1305","","","","","","1.04","","","","has coordinates,has disorder","224746","2020-10-21","18:00:00",""
"7057914","8.5542","0.0004","9.5043","0.0006","10.1464","0.0004","90.501","0.004","96.474","0.004","115.484","0.006","738.4","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Br4 Cu2 N4 O2 -","- C30 H22 Br4 Cu2 N4 O2 -","- C30 H22 Br4 Cu2 N4 O2 -","1","0.5","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","x-ray","1.54184","CuKα","","0.0418","0.0336","","","0.0784","0.0835","","","","","","1.042","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7057920","16.6493","0.0013","13.1167","0.0011","7.0767","0.0007","90","","98.22","0.009","90","","1529.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 F N O2 -","- C18 H10 Cl2 F N O2 -","- C72 H40 Cl8 F4 N4 O8 -","4","1","","Choudhary, Sachin; Singh, Anoop; Yadav, Jyothi; Mir, Nisar A.; Anthal, Sumati; Kant, Rajni; Kumar, Indresh","A simple route to tetracyclic oxazepine-fused pyrroles via metal-free [3+2] annulation between dibenzo[b,f][1,4]oxazepines and aqueous succinaldehyde","New Journal of Chemistry","2019","43","2","953","","10.1039/C8NJ04861D","","","0.71073","MoKα","","0.0943","0.0626","","","0.1607","0.1822","","","","","","1.104","","","","has coordinates","224808","2020-10-21","18:00:00",""
"7057921","17.5729","0.0013","9.1432","0.001","17.8218","0.0013","90","","90","","90","","2863.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H9 F I N O2 -","- C17 H9 F I N O2 -","- C136 H72 F8 I8 N8 O16 -","8","1","","Choudhary, Sachin; Singh, Anoop; Yadav, Jyothi; Mir, Nisar A.; Anthal, Sumati; Kant, Rajni; Kumar, Indresh","A simple route to tetracyclic oxazepine-fused pyrroles via metal-free [3+2] annulation between dibenzo[b,f][1,4]oxazepines and aqueous succinaldehyde","New Journal of Chemistry","2019","43","2","953","","10.1039/C8NJ04861D","","","0.71073","MoKα","","0.0635","0.0406","","","0.0914","0.1056","","","","","","1.124","","","","has coordinates","224808","2020-10-21","18:00:00",""
"7057945","7.4403","0.0005","7.5372","0.0005","10.8823","0.0007","100.819","0.002","96.705","0.002","113.459","0.001","537.32","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Jain, Kavita; Chaudhuri, Saikat; Pal, Kuntal; Das, Kalpataru","The Knoevenagel condensation using quinine as an organocatalyst under solvent-free conditions","New Journal of Chemistry","2019","43","3","1299","","10.1039/C8NJ04219E","","","0.71073","MoKα","","0.097","0.0635","","","0.1668","0.2003","","","","","","1.1028","","","","has coordinates","225014","2020-10-21","18:00:00",""
"7057946","10.5753","0.0003","16.3742","0.0008","17.2297","0.0009","66.079","0.005","72.957","0.004","82.717","0.003","2607.4","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Ag12 Cr2 F12 N6 O15 S6 -","- C86 H72 Ag12 Cr2 F12 N6 O15 S6 -","- C86 H72 Ag12 Cr2 F12 N6 O15 S6 -","1","0.5","","Li, Yan-Ling; Xu, Qing-Qing; Li, Si; Huang, Ren-Wu; Liu, Xiao-Fei; Wei, Yong-Li; Zang, Shuang-Quan","Investigating the influence of a CrO42−/Cr2O72− template in the formation of a series of silver‒chalcogenide clusters","New Journal of Chemistry","2019","43","1","115","","10.1039/C8NJ04965C","","","0.71073","MoKα","","0.141","0.0594","","","0.1013","0.1236","","","","","","0.945","","","","has coordinates,has disorder","224747","2020-10-21","18:00:00",""
"7057947","17.8479","0.0004","21.0072","0.0004","21.9628","0.0004","62.618","0.002","83.842","0.002","65.1","0.002","6594.1","0.3","102.3","0.3","102.3","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C230 H198 Ag30 Cr2 F24 N4 O28 S18 -","- C230 H198 Ag30 Cr2 F24 N4 O28 S18 -","- C230 H198 Ag30 Cr2 F24 N4 O28 S18 -","1","0.5","","Li, Yan-Ling; Xu, Qing-Qing; Li, Si; Huang, Ren-Wu; Liu, Xiao-Fei; Wei, Yong-Li; Zang, Shuang-Quan","Investigating the influence of a CrO42−/Cr2O72− template in the formation of a series of silver‒chalcogenide clusters","New Journal of Chemistry","2019","43","1","115","","10.1039/C8NJ04965C","","x-ray","0.71073","MoKα","","0.0657","0.0432","","","0.0913","0.1032","","","","","","1.014","","","","has coordinates","224747","2020-10-21","18:00:00",""
"7057948","17.109","0.013","26.729","0.009","29.365","0.013","90","","90","","90","","13429","13","296","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H108 Ag14 F24 N6 O22 S6 -","- C106 H108 Ag14 F24 N6 O22 S6 -","- C424 H432 Ag56 F96 N24 O88 S24 -","4","0.5","","Li, Yan-Ling; Xu, Qing-Qing; Li, Si; Huang, Ren-Wu; Liu, Xiao-Fei; Wei, Yong-Li; Zang, Shuang-Quan","Investigating the influence of a CrO42−/Cr2O72− template in the formation of a series of silver‒chalcogenide clusters","New Journal of Chemistry","2019","43","1","115","","10.1039/C8NJ04965C","","","0.71073","MoKα","","0.1028","0.0626","","","0.1533","0.1727","","","","","","1.066","","","","has coordinates","224747","2020-10-21","18:00:00",""
"7057949","13.8439","0.0009","11.9326","0.0009","11.6222","0.0007","90","","110.322","0.003","90","","1800.4","0.2","120","2","119.91","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl4 Cu N5 O4 S -","- C10 H11 Cl4 Cu N5 O4 S -","- C40 H44 Cl16 Cu4 N20 O16 S4 -","4","1","","Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.","Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand","New Journal of Chemistry","2019","43","3","1340","","10.1039/C8NJ04041A","","","0.71073","MoKα","","0.0295","0.0231","","","0.0535","0.056","","","","","","1.037","","","","has coordinates,has disorder","225011","2020-10-21","18:00:00",""
"7057950","7.5477","0.0003","17.3408","0.0006","15.7754","0.0006","90","","95.674","0.001","90","","2054.62","0.13","120","2","119.91","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl4 Cu N5 O6 S -","- C11 H17 Cl4 Cu N5 O6 S -","- C44 H68 Cl16 Cu4 N20 O24 S4 -","4","1","","Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.","Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand","New Journal of Chemistry","2019","43","3","1340","","10.1039/C8NJ04041A","","","0.71073","MoKα","","0.034","0.027","","","0.0599","0.0626","","","","","","1.056","","","","has coordinates","225011","2020-10-21","18:00:00",""
"7057951","9.5794","0.0011","17.6082","0.0016","15.4996","0.0015","90","","105.502","0.004","90","","2519.3","0.4","120","2","119.96","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl4 Cu N5 O5 S -","- C18 H21 Cl4 Cu N5 O5 S -","- C72 H84 Cl16 Cu4 N20 O20 S4 -","4","1","","Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.","Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand","New Journal of Chemistry","2019","43","3","1340","","10.1039/C8NJ04041A","","","0.71073","MoKα","","0.0535","0.0376","","","0.077","0.0832","","","","","","1.04","","","","has coordinates,has disorder","225011","2020-10-21","18:00:00",""
"7057952","9.4329","0.0004","20.292","0.0008","14.1277","0.0005","90","","99.18","0.002","90","","2669.58","0.18","120","2","119.97","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl4 Cu N5 O6 S -","- C18 H23 Cl4 Cu N5 O6 S -","- C72 H92 Cl16 Cu4 N20 O24 S4 -","4","1","","Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.","Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand","New Journal of Chemistry","2019","43","3","1340","","10.1039/C8NJ04041A","","","0.71073","MoKα","","0.029","0.024","","","0.0551","0.0575","","","","","","1.022","","","","has coordinates","225011","2020-10-21","18:00:00",""
"7057953","8.982","0.0006","9.8523","0.0006","13.4982","0.0009","103.683","0.003","94.647","0.003","110.613","0.003","1068.42","0.12","120","2","120.02","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H19 Cl4 Cu N5 O5 S -","- C13 H19 Cl4 Cu N5 O5 S -","- C26 H38 Cl8 Cu2 N10 O10 S2 -","2","1","","Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.","Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand","New Journal of Chemistry","2019","43","3","1340","","10.1039/C8NJ04041A","","","0.71073","MoKα","","0.0165","0.0163","","","0.0426","0.0427","","","","","","1.06","","","","has coordinates","225011","2020-10-21","18:00:00",""
"7057954","10.0981","0.0007","21.8935","0.0015","17.1161","0.0012","90","","106.756","0.003","90","","3623.4","0.4","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl4 Cu N5 O4 S -","- C10 H11 Cl4 Cu N5 O4 S -","- C80 H88 Cl32 Cu8 N40 O32 S8 -","8","2","","Palamarciuc, Oleg; Milunović, Miljan N. M.; Sîrbu, Angela; Stratulat, Elena; Pui, Aurel; Gligorijevic, Nevenka; Radulovic, Sinisa; Kožíšek, Jozef; Darvasiová, Denisa; Rapta, Peter; Enyedy, Eva A.; Novitchi, Ghenadie; Shova, Sergiu; Arion, Vladimir B.","Investigation of the cytotoxic potential of methyl imidazole-derived thiosemicarbazones and their copper(ii) complexes with dichloroacetate as a co-ligand","New Journal of Chemistry","2019","43","3","1340","","10.1039/C8NJ04041A","","","0.71073","MoKα","","0.026","0.0223","","","0.0507","0.0524","","","","","","1.028","","","","has coordinates","225011","2020-10-21","18:00:00",""
"7057955","11.325","0.005","19.765","0.009","6.921","0.003","90","","100.83","0.008","90","","1521.6","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N3 O7 P -","- C11 H16 N3 O7 P -","- C44 H64 N12 O28 P4 -","4","1","","Li, Rui-Xia; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","High-temperature phase transitions, switchable dielectric behaviors and barocaloric effects in three new organic molecule-based crystals","New Journal of Chemistry","2019","43","1","154","","10.1039/C8NJ03845G","","","0.71073","MoKα","","0.0855","0.0645","","","0.1681","0.186","","","","","","1.119","","","","has coordinates","224749","2020-10-21","18:00:00",""
"7057956","11.412","0.002","19.766","0.004","7.048","0.003","90","","113.1","0.04","90","","1462.3","0.9","333","2","333","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 N3 O7 P -","- C11 H16 N3 O7 P -","- C44 H64 N12 O28 P4 -","4","0.5","","Li, Rui-Xia; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","High-temperature phase transitions, switchable dielectric behaviors and barocaloric effects in three new organic molecule-based crystals","New Journal of Chemistry","2019","43","1","154","","10.1039/C8NJ03845G","","","0.71073","MoKα","","0.1124","0.1055","","","0.2832","0.3165","","","","","","1.099","","","","has coordinates,has disorder","224749","2020-10-21","18:00:00",""
"7057957","7.4008","0.0015","10.413","0.002","10.972","0.002","109.76","0.03","99.84","0.03","104.2","0.03","741","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N3 O8 P -","- C10 H14 N3 O8 P -","- C20 H28 N6 O16 P2 -","2","1","","Li, Rui-Xia; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","High-temperature phase transitions, switchable dielectric behaviors and barocaloric effects in three new organic molecule-based crystals","New Journal of Chemistry","2019","43","1","154","","10.1039/C8NJ03845G","","","0.71073","MoKα","","0.1173","0.0851","","","0.2314","0.2502","","","","","","1.076","","","","has coordinates","224749","2020-10-21","18:00:00",""
"7057958","12.3","0.003","19.943","0.004","7.3103","0.0015","90","","98.55","0.03","90","","1773.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N3 O7 P -","- C14 H20 N3 O7 P -","- C56 H80 N12 O28 P4 -","4","1","","Li, Rui-Xia; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei","High-temperature phase transitions, switchable dielectric behaviors and barocaloric effects in three new organic molecule-based crystals","New Journal of Chemistry","2019","43","1","154","","10.1039/C8NJ03845G","","","0.71073","MoKα","","0.103","0.0775","","","0.2229","0.2455","","","","","","1.051","","","","has coordinates","224749","2020-10-21","18:00:00",""
"7057959","11.2011","0.0003","11.2011","0.0003","9.5878","0.0003","90","","90","","120","","1041.77","0.05","200","1","200","1","","","","","","","","5","P 32","P 32","145","","","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C45 H36 N6 O12 S3 -","3","1","","Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines","New Journal of Chemistry","2019","43","1","130","","10.1039/C8NJ05577G","","","0.71073","MoKα","","0.0515","0.0409","","","0.1007","0.1154","","","","","","0.821","","","","has coordinates","224750","2020-10-21","18:00:00",""
"7057960","23.75","0.0005","23.75","0.0005","5.1239","0.0001","90","","90","","120","","2502.99","0.09","200","2","200","2","","","","","","","","6","P 65","P 65","170","","","","- C15 H11 Cl2 N3 O4 S -","- C15 H11 Cl2 N3 O4 S -","- C90 H66 Cl12 N18 O24 S6 -","6","1","","Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines","New Journal of Chemistry","2019","43","1","130","","10.1039/C8NJ05577G","","","1.54178","CuKα","","0.0536","0.0506","","","0.1632","0.1669","","","","","","1.092","","","","has coordinates","224750","2020-10-21","18:00:00",""
"7057961","14.6698","0.0009","14.9855","0.0009","24.7793","0.0015","98.577","0.001","97.653","0.001","118.761","0.001","4588.1","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 N24 O68 P2 W18 Zn3 -","- C36 H36 N24 O68 P2 W18 Zn3 -","- C72 H72 N48 O136 P4 W36 Zn6 -","2","1","","Zhu, Haotian; Du, Jing; Lu, Ying; Su, Fang; Li, Yangguang","Immobilization of enzymes on an organic‒inorganic hybrid network consisting of Dawson-type polyoxotungstate and a zinc(ii)-biimidazole complex moiety","New Journal of Chemistry","2019","43","1","146","","10.1039/C8NJ03776K","","","0.71073","MoKα","","0.0616","0.0433","","","0.1082","0.119","","","","","","1.01","","","","has coordinates","224745","2020-10-21","18:00:00",""
"7057962","13.8898","0.0015","16.0392","0.0017","23.038","0.002","76.838","0.002","87.77","0.002","68.781","0.002","4653.4","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H58 N24 O70 P2 W18 Zn0 -","- C36 H44 N24 O70 P2 W18 -","- C72 H88 N48 O140 P4 W36 -","2","1","","Zhu, Haotian; Du, Jing; Lu, Ying; Su, Fang; Li, Yangguang","Immobilization of enzymes on an organic‒inorganic hybrid network consisting of Dawson-type polyoxotungstate and a zinc(ii)-biimidazole complex moiety","New Journal of Chemistry","2019","43","1","146","","10.1039/C8NJ03776K","","","0.71073","MoKα","","0.0726","0.061","","","0.163","0.1747","","","","","","1.016","","","","has coordinates","224745","2020-10-21","18:00:00",""
"7057963","5.512","0.0001","10.4289","0.0003","29.3412","0.0007","90","","90","","90","","1686.65","0.07","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O6 S2 -","- C12 H12 Cu N4 O6 S2 -","- C48 H48 Cu4 N16 O24 S8 -","4","1","","Zhang, Xiaoyin; Zhang, Xia; Fan, Chuanbin; Zong, Ziao; Zhang, Dongmei; Bi, Caifeng; Fan, Yuhua","Syntheses, structural diversity and photocatalytic properties of three coordination polymers assembled by different N-heterocyclic ligands","New Journal of Chemistry","2019","43","1","320","","10.1039/C8NJ04853C","","","0.71073","MoKα","","0.0267","0.025","","","0.067","0.0678","","","","","","1.087","","","","has coordinates","224751","2020-10-21","18:00:00",""
"7057964","10.5673","0.0019","11.425","0.002","13.396","0.003","90","","108.914","0.004","90","","1530","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cu N14 O8 -","- C30 H28 Cu N14 O8 -","- C60 H56 Cu2 N28 O16 -","2","0.5","","Zhang, Xiaoyin; Zhang, Xia; Fan, Chuanbin; Zong, Ziao; Zhang, Dongmei; Bi, Caifeng; Fan, Yuhua","Syntheses, structural diversity and photocatalytic properties of three coordination polymers assembled by different N-heterocyclic ligands","New Journal of Chemistry","2019","43","1","320","","10.1039/C8NJ04853C","","","0.71073","MoKα","","0.0394","0.0324","","","0.0901","0.096","","","","","","0.964","","","","has coordinates","224751","2020-10-21","18:00:00",""
"7057965","15.412","0.0017","6.7227","0.0007","13.6634","0.0015","90","","90.671","0.002","90","","1415.6","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cd N4 O4 S2 -","- C12 H8 Cd N4 O4 S2 -","- C48 H32 Cd4 N16 O16 S8 -","4","1","","Zhang, Xiaoyin; Zhang, Xia; Fan, Chuanbin; Zong, Ziao; Zhang, Dongmei; Bi, Caifeng; Fan, Yuhua","Syntheses, structural diversity and photocatalytic properties of three coordination polymers assembled by different N-heterocyclic ligands","New Journal of Chemistry","2019","43","1","320","","10.1039/C8NJ04853C","","","0.71073","MoKα","","0.0572","0.0504","","","0.1298","0.1371","","","","","","1.135","","","","has coordinates","224751","2020-10-21","18:00:00",""
"7057966","9.0481","0.0004","18.9483","0.001","23.0819","0.0013","90","","99.327","0.004","90","","3905","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cu O P2 S3 -","- C44 H37 Cu O P2 S3 -","- C176 H148 Cu4 O4 P8 S12 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.0791","0.0484","","","0.0925","0.1046","","","","","","1.027","","","","has coordinates,has disorder","225002","2020-10-21","18:00:00",""
"7057967","10.807","0.0008","21.1948","0.0011","17.1444","0.0012","90","","100.228","0.007","90","","3864.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 Cu N O P2 S2 -","- C45 H38 Cu N O P2 S2 -","- C180 H152 Cu4 N4 O4 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.1222","0.1045","","","0.1518","0.1568","","","","","","1.523","","","","has coordinates,has disorder","225002","2020-10-21","18:00:00",""
"7057968","8.9785","0.0006","18.6193","0.0011","23.3402","0.0014","90","","97.175","0.006","90","","3871.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cu O2 P2 S2 -","- C44 H37 Cu O2 P2 S2 -","- C176 H148 Cu4 O8 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.1493","0.1082","","","0.3092","0.3393","","","","","","1.015","","","","has coordinates","225002","2020-10-21","18:00:00",""
"7057969","10.8413","0.0008","21.3325","0.0008","17.2051","0.0009","90","","100.112","0.006","90","","3917.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Cu O P2 S2 -","- C46 H39 Cu O P2 S2 -","- C184 H156 Cu4 O4 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.1075","0.0831","","","0.127","0.1348","","","","","","1.251","","","","has coordinates,has disorder","225002","2020-10-21","18:00:00",""
"7057970","8.9969","0.0004","18.5997","0.0008","24.0165","0.0011","90","","90","","90","","4018.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 Br Cu O P2 S2 -","- C46 H38 Br Cu O P2 S2 -","- C184 H152 Br4 Cu4 O4 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.0964","0.0673","","","0.1005","0.1103","","","","","","0.989","","","","has coordinates","225002","2020-10-21","18:00:00",""
"7057971","9.0195","0.0009","24.13","0.003","18.6511","0.0016","90","","90","","90","","4059.2","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H41 Cu O2 P2 S2 -","- C47 H41 Cu O2 P2 S2 -","- C188 H164 Cu4 O8 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.1481","0.0835","","","0.1425","0.1681","","","","","","0.974","","","","has coordinates","225002","2020-10-21","18:00:00",""
"7057973","13.039","0.007","17.796","0.009","19.949","0.01","88.021","0.006","82.866","0.005","89.247","0.005","4590","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H144 Cl O22 Ru2 -","- C88 H140 Cl O22 Ru2 -","- C176 H280 Cl2 O44 Ru4 -","2","1","","Ishida, Hideaki; Handa, Makoto; Hiromitsu, Ichiro; Ujiie, Seiji; Yoshioka, Daisuke; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Magnetic and liquid-crystalline properties of chlorido- and cyanato-bridged chain complexes of mixed-valent dinuclear ruthenium(ii,iii) 3,4,5-trialkoxybenzoates","New Journal of Chemistry","2019","43","3","1134","","10.1039/C8NJ03436B","","","0.71073","MoKα","","0.3378","0.1131","","","0.1902","0.2805","","","","","","0.942","","","","has coordinates","225006","2020-10-21","18:00:00",""
"7057974","15.891","0.003","16.458","0.003","21.442","0.003","95.436","0.002","100.385","0.002","93.743","0.002","5471.7","1.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C208 H352 Cl2 O44 Ru4 -","- C207.996 H295.99 Cl2 O44 Ru4 -","- C207.996 H295.99 Cl2 O44 Ru4 -","1","0.5","","Ishida, Hideaki; Handa, Makoto; Hiromitsu, Ichiro; Ujiie, Seiji; Yoshioka, Daisuke; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Magnetic and liquid-crystalline properties of chlorido- and cyanato-bridged chain complexes of mixed-valent dinuclear ruthenium(ii,iii) 3,4,5-trialkoxybenzoates","New Journal of Chemistry","2019","43","3","1134","","10.1039/C8NJ03436B","","","0.71073","MoKα","","0.1825","0.0892","","","0.2084","0.2654","","","","","","1.012","","","","has coordinates,has disorder","225006","2020-10-21","18:00:00",""
"7057975","7.014","0.005","8.58","0.02","21.19","0.05","90","","92.26","0.04","90","","1274","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 O8 Zn -","- C24 H36 N2 O8 Zn -","- C48 H72 N4 O16 Zn2 -","2","0.5","","I., Mantasha; Shahid, M.; Ahmad, Musheer; Rahisuddin, Rahisuddin; Arif, Rizwan; Tasneem, Sana; Sama, Farasha; Ansari, Istikhar A.","Synthesis, crystal structures, photoluminescence, magnetic and antioxidant properties, and theoretical analysis of Zn(ii) and Cu(ii) complexes of an aminoalcohol ligand supported by benzoate counter anions","New Journal of Chemistry","2019","43","2","622","","10.1039/C8NJ04122A","","","0.71073","MoKα","","0.1233","0.0894","","","0.111","0.12","","","","","","1.13","","","","has coordinates","224815","2020-10-21","18:00:00",""
"7057976","8.8047","0.0019","11.724","0.003","15.674","0.004","79.582","0.007","81.993","0.006","89.202","0.006","1575.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H88 Cu3 N6 O30 -","- C48 H88 Cu3 N6 O30 -","- C48 H88 Cu3 N6 O30 -","1","0.5","","I., Mantasha; Shahid, M.; Ahmad, Musheer; Rahisuddin, Rahisuddin; Arif, Rizwan; Tasneem, Sana; Sama, Farasha; Ansari, Istikhar A.","Synthesis, crystal structures, photoluminescence, magnetic and antioxidant properties, and theoretical analysis of Zn(ii) and Cu(ii) complexes of an aminoalcohol ligand supported by benzoate counter anions","New Journal of Chemistry","2019","43","2","622","","10.1039/C8NJ04122A","","","0.71073","MoKα","","0.0777","0.0663","","","0.1798","0.1904","","","","","","1.035","","","","has coordinates","224815","2020-10-21","18:00:00",""
"7057977","6.426","0.004","7.471","0.005","13.774","0.008","75.689","0.013","83.872","0.013","85.763","0.012","636.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H8 Cu F3 N3 O3 -","- C9 H8 Cu F3 N3 O3 -","- C18 H16 Cu2 F6 N6 O6 -","2","1","","Cen, Peipei; Yuan, Weize; Luo, Shuchang; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Solvent coligands fine-tuned the structures and magnetic properties of triple-bridged 1D azido-copper(ii) coordination polymers","New Journal of Chemistry","2019","43","2","601","","10.1039/C8NJ04731F","","","0.71073","MoKα","","0.1354","0.0781","","","0.1774","0.2071","","","","","","0.948","","","","has coordinates,has disorder","224811","2020-10-21","18:00:00",""
"7057978","6.3596","0.0014","7.6821","0.0018","14.234","0.003","102.532","0.004","94.963","0.004","93.215","0.004","674.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cu F3 N3 O3 -","- C10 H10 Cu F3 N3 O3 -","- C20 H20 Cu2 F6 N6 O6 -","2","1","","Cen, Peipei; Yuan, Weize; Luo, Shuchang; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Solvent coligands fine-tuned the structures and magnetic properties of triple-bridged 1D azido-copper(ii) coordination polymers","New Journal of Chemistry","2019","43","2","601","","10.1039/C8NJ04731F","","","0.71073","MoKα","","0.0943","0.0637","","","0.1684","0.2082","","","","","","1.077","","","","has coordinates","224811","2020-10-21","18:00:00",""
"7057979","6.409","0.002","7.792","0.003","14.448","0.005","100.724","0.006","94.544","0.006","91.601","0.007","706","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Cu F3 N3 O3 -","- C11 H12 Cu F3 N3 O3 -","- C22 H24 Cu2 F6 N6 O6 -","2","1","","Cen, Peipei; Yuan, Weize; Luo, Shuchang; Liu, Xiangyu; Xie, Gang; Chen, Sanping","Solvent coligands fine-tuned the structures and magnetic properties of triple-bridged 1D azido-copper(ii) coordination polymers","New Journal of Chemistry","2019","43","2","601","","10.1039/C8NJ04731F","","","0.71073","MoKα","","0.1111","0.0698","","","0.1353","0.1621","","","","","","1.022","","","","has coordinates","224811","2020-10-21","18:00:00",""
"7057980","10.9674","0.0008","11.0167","0.0015","33.215","0.003","90","","95.602","0.009","90","","3994","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 Dy F3 N4 O7 -","- C43 H40 Dy F3 N4 O7 -","- C172 H160 Dy4 F12 N16 O28 -","4","1","","Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Lü, Xingqiang; Zhang, Jiangwei","Designing a mononuclear DyIII single-molecule magnet (SMM) by using a N,O,N,O-based multichelating Schiff base ligand and a β-diketonate ligand","New Journal of Chemistry","2019","43","1","454","","10.1039/C8NJ04019B","","x-ray","1.54184","CuKα","","0.0845","0.0748","","","0.1002","0.1585","","","","","","1.044","","","","has coordinates","224748","2020-10-21","18:00:00",""
"7057981","10.9617","0.0006","11.0136","0.0008","33.9591","0.0017","90","","103.177","0.005","90","","3991.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 Er F3 N4 O7 -","- C43 H40 Er F3 N4 O7 -","- C172 H160 Er4 F12 N16 O28 -","4","1","","Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Lü, Xingqiang; Zhang, Jiangwei","Designing a mononuclear DyIII single-molecule magnet (SMM) by using a N,O,N,O-based multichelating Schiff base ligand and a β-diketonate ligand","New Journal of Chemistry","2019","43","1","454","","10.1039/C8NJ04019B","","","1.54184","CuKα","","0.1106","0.0584","","","0.1002","0.1206","","","","","","1","","","","has coordinates","224748","2020-10-21","18:00:00",""
"7057982","10.7471","0.0003","12.2015","0.0003","16.6996","0.0004","90","","92.127","0.002","90","","2188.32","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N2 O7 Re -","- C24 H15 N2 O7 Re -","- C96 H60 N8 O28 Re4 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Stączek, Paweł; Bernaś, Tytus; Trzybiński, Damian; Woźniak, Krzysztof; Schatzschneider, Ulrich; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent fac-[Re(CO)3(phen)] carboxylato complexes with non-steroidal anti-inflammatory drugs: synthesis and mechanistic insights into the in vitro anticancer activity of fac-[Re(CO)3(phen)(aspirin)]","New Journal of Chemistry","2019","43","2","573","","10.1039/C8NJ05494K","","x-ray","0.71073","MoKα","","0.0342","0.0254","","","0.0511","0.0555","","","","","","1.061","","","","has coordinates,has disorder","224819","2020-10-21","18:00:00",""
"7057983","17.8677","0.0005","12.9186","0.0004","10.731","0.0003","90","","90","","90","","2476.99","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H25 N2 O5 Re -","- C28 H25 N2 O5 Re -","- C112 H100 N8 O20 Re4 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Stączek, Paweł; Bernaś, Tytus; Trzybiński, Damian; Woźniak, Krzysztof; Schatzschneider, Ulrich; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent fac-[Re(CO)3(phen)] carboxylato complexes with non-steroidal anti-inflammatory drugs: synthesis and mechanistic insights into the in vitro anticancer activity of fac-[Re(CO)3(phen)(aspirin)]","New Journal of Chemistry","2019","43","2","573","","10.1039/C8NJ05494K","","x-ray","0.71073","MoKα","","0.0506","0.0443","","","0.0761","0.0795","","","","","","1.085","","","","has coordinates,has disorder","224819","2020-10-21","18:00:00",""
"7057984","6.16143","0.00009","46.2179","0.0006","9.40358","0.0001","90","","90","","90","","2677.84","0.06","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H21 N2 O6 Re -","- C29 H21 N2 O6 Re -","- C116 H84 N8 O24 Re4 -","4","1","","Skiba, Joanna; Kowalczyk, Aleksandra; Stączek, Paweł; Bernaś, Tytus; Trzybiński, Damian; Woźniak, Krzysztof; Schatzschneider, Ulrich; Czerwieniec, Rafał; Kowalski, Konrad","Luminescent fac-[Re(CO)3(phen)] carboxylato complexes with non-steroidal anti-inflammatory drugs: synthesis and mechanistic insights into the in vitro anticancer activity of fac-[Re(CO)3(phen)(aspirin)]","New Journal of Chemistry","2019","43","2","573","","10.1039/C8NJ05494K","","x-ray","1.54184","CuKα","","0.0349","0.0347","","","0.077","0.0771","","","","","","1.193","","","","has coordinates","224819","2020-10-21","18:00:00",""
"7057985","37.8504","0.0012","18.5558","0.0005","18.0159","0.0005","90","","116.272","0.003","90","","11346.3","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","diaqua tetrakis(2-methyl-5-aminotetrazolyl) copper(II) diperchlorate hydrate","diaqua tetrakis(2-methyl-5-aminotetrazolyl) copper(II) diperchlorate hydrate","","- C8 H26 Cl2 Cu N20 O11 -","- C8 H26 Cl2 Cu N20 O11 -","- C128 H416 Cl32 Cu16 N320 O176 -","16","2","","Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg","2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties","New Journal of Chemistry","2019","43","2","609","","10.1039/C8NJ05375H","","x-ray","0.71073","MoKα","","0.1065","0.0644","","","0.1442","0.168","","","","","","1.049","","","","has coordinates,has disorder","224820","2020-10-21","18:00:00",""
"7057986","7.9548","0.0003","14.4157","0.0006","10.8494","0.0004","90","","95.303","0.003","90","","1238.82","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diaqua tetrakis(2-methyltetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-methyltetrazolyl) copper(II) diperchlorate","","- C8 H20 Cl2 Cu N16 O10 -","- C8 H20 Cl2 Cu N16 O10 -","- C16 H40 Cl4 Cu2 N32 O20 -","2","0.5","","Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg","2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties","New Journal of Chemistry","2019","43","2","609","","10.1039/C8NJ05375H","","x-ray","0.71073","MoKα","","0.0554","0.0412","","","0.099","0.1093","","","","","","1.048","","","","has coordinates","224820","2020-10-21","18:00:00",""
"7057987","7.8894","0.0007","19.915","0.0015","8.3691","0.0006","90","","101.004","0.008","90","","1290.75","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","diaqua tetrakis(2-methyl-5H-tetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-methyl-5H-tetrazolyl) copper(II) diperchlorate","","- C8 H24 Cl2 Cu N20 O10 -","- C8 H24 Cl2 Cu N20 O10 -","- C16 H48 Cl4 Cu2 N40 O20 -","2","1","","Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg","2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties","New Journal of Chemistry","2019","43","2","609","","10.1039/C8NJ05375H","","x-ray","0.71073","MoKα","","0.062","0.0511","","","0.1189","0.1278","","","","","","1.054","","","","has coordinates","224820","2020-10-21","18:00:00",""
"7057988","10.6159","0.0006","10.7796","0.0005","13.8295","0.0007","89.498","0.004","80.568","0.004","83.99","0.004","1552.55","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(2-methyl‒5-aminotetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-methyl‒5-aminotetrazolyl) copper(II) diperchlorate","","- C10 H29 Cl2 Cu N25 O10 -","- C10 H29 Cl2 Cu N25 O10 -","- C20 H58 Cl4 Cu2 N50 O20 -","2","1","","Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg","2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties","New Journal of Chemistry","2019","43","2","609","","10.1039/C8NJ05375H","","x-ray","0.71073","MoKα","","0.0576","0.0386","","","0.088","0.0976","","","","","","1.033","","","","has coordinates","224820","2020-10-21","18:00:00",""
"7057989","7.0476","0.0003","7.4569","0.0003","15.8059","0.0006","90","","96.021","0.004","90","","826.07","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diaqua di(methylaminotetrazolyl) copper(II) perchlorate","diaqua di(methylaminotetrazolyl) copper(II) perchlorate","","- C4 H14 Cl2 Cu N10 O10 -","- C4 H14 Cl2 Cu N10 O10 -","- C8 H28 Cl4 Cu2 N20 O20 -","2","0.5","","Zeisel, Lukas; Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Stierstorfer, Jörg","2-Methyl-substituted monotetrazoles in copper(ii) perchlorate complexes: manipulating coordination chemistry and derived energetic properties","New Journal of Chemistry","2019","43","2","609","","10.1039/C8NJ05375H","","x-ray","0.71073","MoKα","","0.0407","0.0369","","","0.1001","0.103","","","","","","1.069","","","","has coordinates,has disorder","224820","2020-10-21","18:00:00",""
"7057990","9.1748","0.0009","14.248","0.0013","19.9453","0.0018","108.534","0.004","93.246","0.005","105.595","0.004","2352.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H41 F6 N6 O4 P3 Ru -","- C49 H41 F6 N6 O4 P3 Ru -","- C98 H82 F12 N12 O8 P6 Ru2 -","2","1","","Florindo, Pedro R.; Pereira, Diane M.; Borralho, Pedro M.; Piedade, M. F. M.; Oliveira, M. Conceição; Dias, Ana M.; Rodrigues, Cecília M. P.; Fernandes, Ana C.","Organoruthenium(ii) nucleoside conjugates as colon cytotoxic agents","New Journal of Chemistry","2019","43","3","1195","","10.1039/C8NJ04515A","","","0.71073","MoKα","","0.0837","0.0634","","","0.1531","0.1641","","","","","","1.058","","","","has coordinates,has disorder","225005","2020-10-21","18:00:00",""
"7057991","12.567","0.007","6.088","0.004","14.018","0.008","90","","95.794","0.016","90","","1067","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O Si2 -","- C24 H22 O Si2 -","- C48 H44 O2 Si4 -","2","0.5","","Shankar, Ravi; Sharma, Asmita; Jangir, Bhawana; Chaudhary, Manchal; Kociok-Köhn, Gabriele","Catalytic oxidation of diorganosilanes to 1,1,3,3-tetraorganodisiloxanes with gold nanoparticle assembly at the water‒chloroform interface","New Journal of Chemistry","2019","43","2","813","","10.1039/C8NJ04223C","","","0.71073","MoKα","","0.0749","0.0429","","","0.12","0.1428","","","","","","1.05","","","","has coordinates,has disorder","224814","2020-10-21","18:00:00",""
"7057992","19.126","0.002","6.2821","0.0006","15.7341","0.0018","90","","106.417","0.004","90","","1813.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 F2 N2 Ni3 O26 P4 -","- C18 H50 F2 N2 Ni3 O26 P4 -","- C36 H100 F4 N4 Ni6 O52 P8 -","2","0.5","","Xu, Hailong; Feng, Lu; Huang, Wentao; Wang, Qiaoyun; Zhou, Hong","A water-stable Ni(ii) diphosphonate exhibiting water vapor adsorption and water-assisted high proton conductivity","New Journal of Chemistry","2019","43","2","807","","10.1039/C8NJ04776F","","","0.71073","MoKα","","0.0994","0.0488","","","0.0799","0.0929","","","","","","1.037","","","","has coordinates","224813","2020-10-21","18:00:00",""
"7057993","7.0485","0.0005","14.7628","0.0011","18.7692","0.0014","73.799","0.003","89.767","0.003","89.067","0.003","1875.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cl2 N10 O11 U2 -","- C28 H34 Cl2 N10 O11 U2 -","- C56 H68 Cl4 N20 O22 U4 -","2","1","","Ghosh, Sabari; Srivastava, Ankit Kumar; Pal, Samudranil","Dihydroxo-bridged diuranyl(vi) complexes with 2-((2-(6-chloropyridazin-3-yl)hydrazono)methyl)-4-R-phenols: structural insights and visible light driven photocatalytic activities","New Journal of Chemistry","2019","43","2","970","","10.1039/C8NJ05038D","","","0.71073","MoKα","","0.0351","0.0307","","","0.071","0.0728","","","","","","1.086","","","","has coordinates","224809","2020-10-21","18:00:00",""
"7057994","15.4436","0.0013","14.7742","0.0012","15.3194","0.0012","90","","113.786","0.002","90","","3198.5","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cl2 N8 O11.5 U2 -","- C24 H23 Cl2 N8 O11.5 U2 -","- C96 H92 Cl8 N32 O46 U8 -","4","0.5","","Ghosh, Sabari; Srivastava, Ankit Kumar; Pal, Samudranil","Dihydroxo-bridged diuranyl(vi) complexes with 2-((2-(6-chloropyridazin-3-yl)hydrazono)methyl)-4-R-phenols: structural insights and visible light driven photocatalytic activities","New Journal of Chemistry","2019","43","2","970","","10.1039/C8NJ05038D","","","0.71073","MoKα","","0.0536","0.0355","","","0.0791","0.0857","","","","","","1.039","","","","has coordinates","224809","2020-10-21","18:00:00",""
"7057995","8.573","0.003","11.488","0.004","18.172","0.007","95.972","0.005","95.42","0.006","90.091","0.006","1771.9","1.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S3 -","- C18 H16 O4 S3 -","- C72 H64 O16 S12 -","4","2","","Higashino, Toshiki; Ueda, Akira; Mori, Hatsumi","Di- and tetramethoxy benzothienobenzothiophenes: substitution position effects on the intermolecular interactions, crystal packing and transistor properties","New Journal of Chemistry","2019","43","2","884","","10.1039/C8NJ04251A","","","0.71075","MoKα","","","0.066","","","","0.1977","","","","","","1.052","","","","has coordinates,has disorder","224821","2020-10-21","18:00:00",""
"7057996","12.164","0.004","8.759","0.003","7.875","0.003","90","","97.646","0.004","90","","831.6","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","- C36 H32 O8 S4 -","2","0.5","","Higashino, Toshiki; Ueda, Akira; Mori, Hatsumi","Di- and tetramethoxy benzothienobenzothiophenes: substitution position effects on the intermolecular interactions, crystal packing and transistor properties","New Journal of Chemistry","2019","43","2","884","","10.1039/C8NJ04251A","","","0.71075","MoKα","","","0.0495","","","","0.1419","","","","","","1.066","","","","has coordinates","224821","2020-10-21","18:00:00",""
"7057997","6.2427","0.0002","13.2218","0.0004","24.3513","0.0008","90","","93.176","0.002","90","","2006.86","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 O3 -","- C23 H19 Cl N2 O3 -","- C92 H76 Cl4 N8 O12 -","4","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; Gasparotto, Gisane; Valdo, Ana Karoline Silva Medanha; Nascimento Neto, José Antônio; Ribeiro, Leandro; de Freitas Rego, Yuri; da Silva, Cleiton Moreira; de Fátima, Ângelo","Phthalazine-trione as a blue-green light-emitting moiety: crystal structures, photoluminescence and theoretical calculations","New Journal of Chemistry","2019","43","3","1313","","10.1039/C8NJ02976H","","","1.54178","CuKα","","0.0811","0.0483","","","0.1172","0.1352","","","","","","1.029","","","","has coordinates","225012","2020-10-21","18:00:00",""
"7057998","5.7534","0.0007","18.2637","0.0017","18.7499","0.0019","90","","98.75","0.008","90","","1947.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; Gasparotto, Gisane; Valdo, Ana Karoline Silva Medanha; Nascimento Neto, José Antônio; Ribeiro, Leandro; de Freitas Rego, Yuri; da Silva, Cleiton Moreira; de Fátima, Ângelo","Phthalazine-trione as a blue-green light-emitting moiety: crystal structures, photoluminescence and theoretical calculations","New Journal of Chemistry","2019","43","3","1313","","10.1039/C8NJ02976H","","","1.54178","CuKα","","0.1112","0.0644","","","0.1663","0.2124","","","","","","1.071","","","","has coordinates","225012","2020-10-21","18:00:00",""
"7057999","16.4477","0.0004","7.374","0.0002","16.5927","0.0004","90","","97.642","0.002","90","","1994.58","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; Gasparotto, Gisane; Valdo, Ana Karoline Silva Medanha; Nascimento Neto, José Antônio; Ribeiro, Leandro; de Freitas Rego, Yuri; da Silva, Cleiton Moreira; de Fátima, Ângelo","Phthalazine-trione as a blue-green light-emitting moiety: crystal structures, photoluminescence and theoretical calculations","New Journal of Chemistry","2019","43","3","1313","","10.1039/C8NJ02976H","","","1.54178","CuKα","","0.0617","0.0441","","","0.1094","0.1225","","","","","","1.03","","","","has coordinates","225012","2020-10-21","18:00:00",""
"7058000","7.1837","0.0005","19.7871","0.0013","12.2069","0.0009","90","","96.654","0.007","90","","1723.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F6 N3 O2 P -","- C15 H16 F6 N3 O2 P -","- C60 H64 F24 N12 O8 P4 -","4","1","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","x-ray","0.71073","MoKα","","0.1134","0.0589","","","0.1157","0.1418","","","","","","1.021","","","","has coordinates","225001","2020-10-21","18:00:00",""
"7058001","11.1582","0.0007","25.2743","0.0013","13.7476","0.0007","90","","111.047","0.006","90","","3618.4","0.4","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Ag F6 N6 O4 P -","- C32 H34 Ag F6 N6 O4 P -","- C128 H136 Ag4 F24 N24 O16 P4 -","4","0.5","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","x-ray","0.71073","MoKα","","0.0683","0.0498","","","0.1354","0.1496","","","","","","1.047","","","","has coordinates","225001","2020-10-21","18:00:00",""
"7058002","7.9402","0.0002","15.3921","0.0008","17.4759","0.0006","68.602","0.004","82.359","0.003","76.274","0.004","1929.28","0.14","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Ag F6 N6 O4 P -","- C36 H42 Ag F6 N6 O4 P -","- C72 H84 Ag2 F12 N12 O8 P2 -","2","1","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","x-ray","0.71073","MoKα","","0.0796","0.048","","","0.1106","0.1297","","","","","","1.023","","","","has coordinates","225001","2020-10-21","18:00:00",""
"7058003","6.7105","0.0002","13.5695","0.0004","21.2416","0.0007","90","","92.289","0.001","90","","1932.68","0.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F6 N3 O2 P -","- C17 H20 F6 N3 O2 P -","- C68 H80 F24 N12 O8 P4 -","4","1","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","","1.54178","CuKα","","0.035","0.0338","","","0.0849","0.0862","","","","","","1.066","","","","has coordinates","225001","2020-10-21","18:00:00",""
"7058004","6.8754","0.0002","13.7415","0.0004","21.5663","0.0007","90","","94.436","0.001","90","","2031.44","0.11","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 F6 N3 O2 P -","- C18 H22 F6 N3 O2 P -","- C72 H88 F24 N12 O8 P4 -","4","1","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","","1.54178","CuKα","","0.0318","0.0314","","","0.0812","0.0816","","","","","","1.052","","","","has coordinates","225001","2020-10-21","18:00:00",""
"7058005","10.7646","0.0004","24.7871","0.0008","13.8342","0.0005","90","","109.682","0.004","90","","3475.6","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Ag F6 N6 O4 P -","- C30 H30 Ag F6 N6 O4 P -","- C120 H120 Ag4 F24 N24 O16 P4 -","4","0.5","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","x-ray","0.71073","MoKα","","0.0663","0.0439","","","0.1078","0.1233","","","","","","1.017","","","","has coordinates,has disorder","225001","2020-10-21","18:00:00",""
"7058006","7.4308","0.0004","11.7701","0.0006","11.9184","0.0006","112.305","0.005","103.143","0.004","96.021","0.004","917.75","0.09","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Ag F6 N6 O4 P -","- C34 H34 Ag F6 N6 O4 P -","- C34 H34 Ag F6 N6 O4 P -","1","0.5","","Achar, Gautam; C. R., Shahini; Patil, Siddappa A.; Małecki, Jan Grzegorz; Budagumpi, Srinivasa","Coumarin-substituted 1,2,4-triazole-derived silver(i) and gold(i) complexes: synthesis, characterization and anticancer studies","New Journal of Chemistry","2019","43","3","1216","","10.1039/C8NJ02927J","","x-ray","0.71073","MoKα","","0.0632","0.0447","","","0.0969","0.1092","","","","","","1.042","","","","has coordinates,has disorder","225001","2020-10-21","18:00:00",""
"7058007","10.84404","0.00019","10.84404","0.00019","15.4345","0.0004","90","","90","","120","","1571.83","0.06","120","2","120","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C15 H30 N9 Nd O12 S3 -","- C15 H27 N9 Nd O12 S3 -","- C30 H54 N18 Nd2 O24 S6 -","2","0.166667","","Packiaraj, S.; Kanchana, P.; Pushpaveni, A.; Puschmann, H.; Govindarajan, S.","Different coordination geometries of lighter lanthanates driven by the symmetry of guanidines as charge compensators","New Journal of Chemistry","2019","43","2","979","","10.1039/C8NJ03600D","","","0.7107","MoKα","","0.0371","0.0295","","","0.0767","0.0814","","","","","","1.092","","","","has coordinates,has disorder","224816","2020-10-21","18:00:00",""
"7058008","10.53248","0.00018","11.0395","0.0002","12.7187","0.0002","88.9784","0.0015","83.9828","0.0014","89.6614","0.0015","1470.45","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H35 La N12 O16 -","- C15 H35 La N12 O16 -","- C30 H70 La2 N24 O32 -","2","1","","Packiaraj, S.; Kanchana, P.; Pushpaveni, A.; Puschmann, H.; Govindarajan, S.","Different coordination geometries of lighter lanthanates driven by the symmetry of guanidines as charge compensators","New Journal of Chemistry","2019","43","2","979","","10.1039/C8NJ03600D","","","0.7107","MoKα","","0.034467","0.029751","","","","0.082007","","","","","","1.0385","","","","has coordinates","224816","2020-10-21","18:00:00",""
"7058009","10.8781","0.0003","10.8781","0.0003","15.3633","0.0004","90","","90","","120","","1574.42","0.07","120","","120","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C15 H30 N9 O12 Pr S3 -","- C15 H30 N9 O12 Pr S3 -","- C30 H60 N18 O24 Pr2 S6 -","2","0.166667","","Packiaraj, S.; Kanchana, P.; Pushpaveni, A.; Puschmann, H.; Govindarajan, S.","Different coordination geometries of lighter lanthanates driven by the symmetry of guanidines as charge compensators","New Journal of Chemistry","2019","43","2","979","","10.1039/C8NJ03600D","","","0.7107","MoKα","","0.0368","0.0293","","","0.0753","0.0797","","","","","","1.094","","","","has coordinates,has disorder","224816","2020-10-21","18:00:00",""
"7058010","14.598","0.002","14.93","0.002","31.428","0.005","81.09","0.005","82.566","0.005","89.76","0.005","6709.3","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 B2 N4 Si4 -","- C64 H96 B2 N4 Si4 -","- C256 H384 B8 N16 Si16 -","4","2","","Yao, Chang-Jiang; Zhao, Kexiang; Long, Guankui; Li, Xinxiong; Gong, Zhong-Liang; Zhong, Yu-Wu; Gao, Weibo; Li, Yongxin; Ganguly, Rakesh; Li, Gang; Zhang, Qichun","Synthesis, characterization and photophysical studies of a novel polycyclic diborane","New Journal of Chemistry","2019","43","2","564","","10.1039/C8NJ05550E","","","0.71073","MoKα","","0.1538","0.1123","","","0.3441","0.3736","","","","","","1.079","","","","has coordinates,has disorder","224810","2020-10-21","18:00:00",""
"7058011","10.123","0.002","11.857","0.002","12.208","0.002","107.99","0.02","99.32","0.02","97.49","0.02","1349.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H54 N8 O2 -","- C72 H54 N8 O2 -","- C72 H54 N8 O2 -","1","0.5","","Dong, Yujie; Qian, Jingyu; Liu, Yang; Zhu, Nianyong; Xu, Bin; Ho, Cheuk-Lam; Tian, Wenjing; Wong, Wai-Yeung","Imidazole-containing cyanostilbene-based molecules with aggregation-induced emission characteristics: photophysical and electroluminescent properties","New Journal of Chemistry","2019","43","4","1844","","10.1039/C8NJ04512G","","","0.71073","MoKα","","0.0581","0.0469","","","0.1281","0.14","","","","","","0.931","","","","has coordinates,has disorder","224801","2020-10-21","18:00:00",""
"7058012","11.121","0.005","14.24","0.005","16.074","0.005","90","","108.293","0.005","90","","2416.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu N5 O12 Tb -","- C19 H20 Cu N5 O12 Tb -","- C76 H80 Cu4 N20 O48 Tb4 -","4","1","","Mahapatra, Prithwish; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Ghosh, Ashutosh","A series of CuII‒LnIII complexes of an N2O3 donor asymmetric ligand and a possible CuII‒TbIII SMM candidate in no bias field","New Journal of Chemistry","2019","43","2","634","","10.1039/C8NJ03512A","","","0.71073","MoKα","","0.072","0.0427","","","0.0986","0.1187","","","","","","1.075","","","","has coordinates","224818","2020-10-21","18:00:00",""
"7058013","11.168","0.005","14.259","0.005","16.198","0.005","90","","108.516","0.005","90","","2445.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu Dy N5 O12 -","- C19 H20 Cu Dy N5 O12 -","- C76 H80 Cu4 Dy4 N20 O48 -","4","1","","Mahapatra, Prithwish; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Ghosh, Ashutosh","A series of CuII‒LnIII complexes of an N2O3 donor asymmetric ligand and a possible CuII‒TbIII SMM candidate in no bias field","New Journal of Chemistry","2019","43","2","634","","10.1039/C8NJ03512A","","","0.71073","MoKα","","0.0351","0.0291","","","0.0743","0.0793","","","","","","1.059","","","","has coordinates","224818","2020-10-21","18:00:00",""
"7058014","11.09","0.005","14.296","0.005","16.04","0.005","90","0.005","108.252","0.005","90","0.005","2415.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu Ho N5 O12 -","- C19 H20 Cu Ho N5 O12 -","- C76 H80 Cu4 Ho4 N20 O48 -","4","1","","Mahapatra, Prithwish; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Ghosh, Ashutosh","A series of CuII‒LnIII complexes of an N2O3 donor asymmetric ligand and a possible CuII‒TbIII SMM candidate in no bias field","New Journal of Chemistry","2019","43","2","634","","10.1039/C8NJ03512A","","","0.71073","MoKα","","0.0287","0.0233","","","0.0538","0.0558","","","","","","1.037","","","","has coordinates","224818","2020-10-21","18:00:00",""
"7058015","11.073","0.005","14.257","0.005","16.022","0.005","90","0.005","108.285","0.005","90","0.005","2401.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu Er N5 O12 -","- C19 H20 Cu Er N5 O12 -","- C76 H80 Cu4 Er4 N20 O48 -","4","1","","Mahapatra, Prithwish; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Ghosh, Ashutosh","A series of CuII‒LnIII complexes of an N2O3 donor asymmetric ligand and a possible CuII‒TbIII SMM candidate in no bias field","New Journal of Chemistry","2019","43","2","634","","10.1039/C8NJ03512A","","","0.71073","MoKα","","0.0454","0.0389","","","0.1026","0.1081","","","","","","1.016","","","","has coordinates","224818","2020-10-21","18:00:00",""
"7058016","16.2075","0.0008","11.8305","0.0005","26.3964","0.0012","90","","110.081","0.006","90","","4753.6","0.4","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H18 Cl2 N3 O3.5 S2 -","- C23.5 H18 Cl2 N3 O3.5 S2 -","- C188 H144 Cl16 N24 O28 S16 -","8","1","","Sunil Kumar, A.; Kudva, Jyothi; Bharath, B. R.; Ananda, K.; Sadashiva, Rajitha; Madan Kumar, S.; Revanasiddappa, B. C.; Kumar, Vasantha; Rekha, P. D.; Naral, Damodara","Synthesis, structural, biological and in silico studies of new 5-arylidene-4-thiazolidinone derivatives as possible anticancer, antimicrobial and antitubercular agents","New Journal of Chemistry","2019","43","3","1597","","10.1039/C8NJ03671C","","","0.71073","MoKα","","0.0653","0.0512","","","0.1174","0.1273","","","","","","1.0471","","","","has coordinates","225004","2020-10-21","18:00:00",""
"7058023","34.864","0.003","45.768","0.004","8.0403","0.0007","90","","90","","90","","12829.5","1.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C236 H296 N24 O72 Zn8 -","- C236 H296 N24 O72 Zn8 -","- C472 H592 N48 O144 Zn16 -","2","0.125","","Zhu, Rong-Rong; Wang, Tao; Wang, Da-Wei; Yan, Tong; Wang, Quan; Li, Hang-Xing; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Zinc-based CPs for effective detection of Fe3+ and Cr2O72− ions","New Journal of Chemistry","2019","43","3","1494","","10.1039/C8NJ05508D","","","0.71073","MoKα","","0.0545","0.0398","","","0.0864","0.0924","","","","","","0.998","","","","has coordinates","225016","2020-10-21","18:00:00",""
"7058024","14.0802","0.0016","20.171","0.002","15.8618","0.0018","90","","96.497","0.002","90","","4476","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N2 O6 Zn -","- C24 H26 N2 O6 Zn -","- C192 H208 N16 O48 Zn8 -","8","1","","Zhu, Rong-Rong; Wang, Tao; Wang, Da-Wei; Yan, Tong; Wang, Quan; Li, Hang-Xing; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Zinc-based CPs for effective detection of Fe3+ and Cr2O72− ions","New Journal of Chemistry","2019","43","3","1494","","10.1039/C8NJ05508D","","","0.71073","MoKα","","0.0587","0.0389","","","0.0923","0.1008","","","","","","1.019","","","","has coordinates","225016","2020-10-21","18:00:00",""
"7058025","7.5609","0.0008","19.205","0.002","17.8092","0.0019","90","","98.426","0.001","90","","2558.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 N2 O7 Zn -","- C25 H30 N2 O7 Zn -","- C100 H120 N8 O28 Zn4 -","4","1","","Zhu, Rong-Rong; Wang, Tao; Wang, Da-Wei; Yan, Tong; Wang, Quan; Li, Hang-Xing; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Zinc-based CPs for effective detection of Fe3+ and Cr2O72− ions","New Journal of Chemistry","2019","43","3","1494","","10.1039/C8NJ05508D","","","0.71073","MoKα","","0.0841","0.0561","","","0.161","0.1782","","","","","","1.018","","","","has coordinates,has disorder","225016","2020-10-21","18:00:00",""
"7058026","7.3754","0.0008","19.291","0.002","18.0017","0.0019","90","","98.669","0.001","90","","2532","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O5 Zn -","- C25 H26 N2 O5 Zn -","- C100 H104 N8 O20 Zn4 -","4","1","","Zhu, Rong-Rong; Wang, Tao; Wang, Da-Wei; Yan, Tong; Wang, Quan; Li, Hang-Xing; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Zinc-based CPs for effective detection of Fe3+ and Cr2O72− ions","New Journal of Chemistry","2019","43","3","1494","","10.1039/C8NJ05508D","","","0.71073","MoKα","","0.0542","0.0359","","","0.0811","0.0883","","","","","","1.033","","","","has coordinates","225016","2020-10-21","18:00:00",""
"7058027","9.536","0.003","9.886","0.003","10.826","0.003","91.241","0.01","94.723","0.01","95.765","0.01","1011.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O8 Ru2 -","- C18 H16 O8 Ru2 -","- C36 H32 O16 Ru4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0216","0.0205","","","0.0597","0.0606","","","","","","1.185","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058028","13.385","0.005","11.395","0.003","11.933","0.004","90","","100.958","0.013","90","","1786.9","1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 O12 Ru2 -","- C14 H6 O12 Ru2 -","- C56 H24 O48 Ru8 -","4","0.5","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0303","0.0235","","","0.0476","0.05","","","","","","1.083","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058029","8.457","0.002","10.898","0.002","19.59","0.005","88.14","0.008","83.336","0.008","84.953","0.008","1785.9","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 O9 Ru2 -","- C37 H36 O9 Ru2 -","- C74 H72 O18 Ru4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0231","0.0208","","","0.0594","0.0608","","","","","","1.197","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058030","14.632","0.005","15.54","0.004","9.194","0.003","90","","90","","90","","2090.5","1.1","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H16 O9 Ru2 -","- C19 H16 O9 Ru2 -","- C76 H64 O36 Ru8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.025","0.0233","","","0.0567","0.0576","","","","","","1.12","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058031","7.98","0.0014","8.6097","0.0016","18.97","0.003","86.303","0.005","88.063","0.006","74.729","0.005","1254.5","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 O8 Ru2 -","- C26 H16 O8 Ru2 -","- C52 H32 O16 Ru4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0179","0.0169","","","0.0429","0.0437","","","","","","1.05","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058032","9.4633","0.0013","11.75","0.0015","23.323","0.003","90","","99.82","0.005","90","","2555.4","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 O9 Ru2 -","- C27 H16 O9 Ru2 -","- C108 H64 O36 Ru8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0387","0.0294","","","0.0691","0.0732","","","","","","1.067","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058033","10.292","0.004","11.043","0.004","18.767","0.006","76.244","0.012","87.402","0.012","74.255","0.012","1993.6","1.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 O24 -","- C36 H36 O24 -","- C72 H72 O48 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0601","0.0462","","","0.1024","0.1104","","","","","","1.097","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058034","13.736","0.004","10.403","0.003","15.643","0.005","90","","91.786","0.009","90","","2234.2","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H3 O13 Ru4 -","- C16 H3 O13 Ru4 -","- C64 H12 O52 Ru16 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.0176","0.0168","","","0.0411","0.0416","","","","","","1.147","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058035","9.8076","0.0002","27.7775","0.0005","10.28","0.0002","90","","103.526","0.002","90","","2722.91","0.09","150","2","150","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F5 S -","- C16 H11 F5 S -","- C128 H88 F40 S8 -","8","2","","Webster, Stephen J.; López-Alled, Carlos M.; Liang, Xinxing; McMullin, Claire L.; Kociok-Köhn, Gabriele; Lyall, Catherine L.; James, Tony D.; Wenk, Jannis; Cameron, Petra J.; Lewis, Simon E.","Azulenes with aryl substituents bearing pentafluorosulfanyl groups: synthesis, spectroscopic and halochromic properties","New Journal of Chemistry","2019","43","2","992","","10.1039/C8NJ05520C","","x-ray","1.54184","CuKα","","0.0608","0.0537","","","0.1215","0.1249","","","","","","1.106","","","","has coordinates","224812","2020-10-21","18:00:00",""
"7058036","26.831","0.006","4.836","0.001","9.328","0.002","90","","98.963","0.003","90","","1195.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C44 H84 N4 O12 -","4","1","","Kodama, Koichi; Kawamata, Ryuta; Hirose, Takuji","Synthesis and evaluation of chiral β-amino acid-based low-molecular-weight organogelators possessing a methyl/trifluoromethyl side chain","New Journal of Chemistry","2019","43","7","2882","","10.1039/C8NJ05668D","","","0.71073","MoKα","","0.0617","0.0465","","","0.1241","0.1325","","","","","","1.009","","","","has coordinates","224880","2020-10-21","18:00:00",""
"7058037","5.288","0.003","7.448","0.005","30.857","0.019","90","","92.94","0.007","90","","1213.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C44 H84 N4 O12 -","4","2","","Kodama, Koichi; Kawamata, Ryuta; Hirose, Takuji","Synthesis and evaluation of chiral β-amino acid-based low-molecular-weight organogelators possessing a methyl/trifluoromethyl side chain","New Journal of Chemistry","2019","43","7","2882","","10.1039/C8NJ05668D","","","0.71073","MoKα","","0.2111","0.0791","","","0.1206","0.1591","","","","","","0.89","","","","has coordinates","224880","2020-10-21","18:00:00",""
"7058038","14.394","0.002","13.015","0.002","22.744","0.004","90","","94.508","0.002","90","","4247.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 F3 N O3 -","- C12 H20 F3 N O3 -","- C144 H240 F36 N12 O36 -","12","3","","Kodama, Koichi; Kawamata, Ryuta; Hirose, Takuji","Synthesis and evaluation of chiral β-amino acid-based low-molecular-weight organogelators possessing a methyl/trifluoromethyl side chain","New Journal of Chemistry","2019","43","7","2882","","10.1039/C8NJ05668D","","","0.71073","MoKα","","0.0679","0.0538","","","0.1384","0.1474","","","","","","0.961","","","","has coordinates","224880","2020-10-21","18:00:00",""
"7058039","11.272","0.005","7.645","0.006","12.12","0.008","90","","96.36","0.03","90","","1038","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Kamble, Rohit B.; Chavan, Santosh S.; Suryavanshi, Gurunath","An efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions","New Journal of Chemistry","2019","43","3","1632","","10.1039/C8NJ04845B","","","0.71073","MoKα","","0.0475","0.0391","","","0.0954","0.1028","","","","","","1.115","","","","has coordinates","225013","2020-10-21","18:00:00",""
"7058040","12.3276","0.0011","13.0193","0.0007","23.939","0.002","90","","93.247","0.007","90","","3836","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 N4 O3 S3 -","- C41 H30 N4 O3 S3 -","- C164 H120 N16 O12 S12 -","4","1","","Kumar, Poomani Ram; Britto, Neethinathan Johnee; Kathiravan, Arunkumar; Neels, Antonia; Jaccob, Madhavan; Mothi, Ebrahim M.","Synthesis and electronic properties of A3B-thienyl porphyrins: experimental and computational investigations","New Journal of Chemistry","2019","43","3","1569","","10.1039/C8NJ04289F","","","0.71073","MoKα","","0.0527","0.0377","","","0.1027","0.109","","","","","","1.012","","","","has coordinates,has disorder","225007","2020-10-21","18:00:00",""
"7058041","6.6311","0.0003","11.1557","0.0005","21.0852","0.0009","90","","93.419","0.004","90","","1556.99","0.12","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N4 O S3 -","- C38 H24 N4 O S3 -","- C76 H48 N8 O2 S6 -","2","0.5","","Kumar, Poomani Ram; Britto, Neethinathan Johnee; Kathiravan, Arunkumar; Neels, Antonia; Jaccob, Madhavan; Mothi, Ebrahim M.","Synthesis and electronic properties of A3B-thienyl porphyrins: experimental and computational investigations","New Journal of Chemistry","2019","43","3","1569","","10.1039/C8NJ04289F","","","0.71073","MoKα","","0.0989","0.0835","","","0.1883","0.2002","","","","","","1.082","","","","has coordinates,has disorder","225007","2020-10-21","18:00:00",""
"7058042","14.504","0.004","24.027","0.006","10.129","0.003","90","","133.17","0.002","90","","2574.4","1.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H42 Cu3 I6 N6 O8 -","- C38 H42 Cu3 I6 N6 O8 -","- C76 H84 Cu6 I12 N12 O16 -","2","0.25","","Pathak, Sayantan; Ghosh, Mithun K.; Mandal, Manab; Mandal, Vivekananda; Bhattacharyya, Arnab; Ghorai, Tanmay K.","Synthesis of a new acetate bridged Cu(ii) building block generated 1D polymer and studies on structural, magnetic, antibacterial and anticancer properties","New Journal of Chemistry","2019","43","4","2019","","10.1039/C8NJ04937H","","","0.71073","MoKα","","0.079","0.046","","","0.1364","0.1592","","","","","","1.057","","","","has coordinates","224802","2020-10-21","18:00:00",""
"7058043","12.598","0.003","15.562","0.003","31.223","0.007","90","","99.517","0.004","90","","6037","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H77 N25 O23 -","- C50 H55 N25 O23 -","- C200 H220 N100 O92 -","4","1","","Zhang, Mingli; Shi, Hao; Meng, Di; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Liu, Jing-Xin","Encapsulation and removal of aniline by di-cyclohexanocucurbit[6]uril","New Journal of Chemistry","2019","43","3","1487","","10.1039/C8NJ05298K","","","0.71073","MoKα","","0.1235","0.092","","","0.2523","0.2899","","","","","","1.005","","","","has coordinates,has disorder","225008","2020-10-21","18:00:00",""
"7058044","12.697","0.003","16.573","0.004","14.45","0.003","90","","99.088","0.003","90","","3002.5","1.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H73 N25 O20 -","- C51 H57 N25 O20 -","- C102 H114 N50 O40 -","2","1","","Zhang, Mingli; Shi, Hao; Meng, Di; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Liu, Jing-Xin","Encapsulation and removal of aniline by di-cyclohexanocucurbit[6]uril","New Journal of Chemistry","2019","43","3","1487","","10.1039/C8NJ05298K","","","0.71073","MoKα","","0.0988","0.0802","","","0.227","0.2525","","","","","","1.008","","","","has coordinates","225008","2020-10-21","18:00:00",""
"7058045","13.9104","0.0006","17.3756","0.0008","15.4262","0.0009","90","","107.253","0.002","90","","3560.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H84 Cd2 Cl8 N26 O24 -","- C50 H58 Cd2 Cl8 N26 O20 -","- C100 H116 Cd4 Cl16 N52 O40 -","2","0.5","","Zhang, Mingli; Shi, Hao; Meng, Di; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Liu, Jing-Xin","Encapsulation and removal of aniline by di-cyclohexanocucurbit[6]uril","New Journal of Chemistry","2019","43","3","1487","","10.1039/C8NJ05298K","","","0.71073","MoKα","","0.0841","0.072","","","0.2026","0.2126","","","","","","1.001","","","","has coordinates","225008","2020-10-21","18:00:00",""
"7058046","8.9997","0.0009","11.4597","0.0006","13.9001","0.0009","82.615","0.003","81.957","0.004","81.799","0.004","1396.3","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H31 Cl2 F2 N6 O2.5 Ru -","- C23 H26 Cl2 F2 N6 O Ru -","- C46 H52 Cl4 F4 N12 O2 Ru2 -","2","1","","Colina-Vegas, Legna; Lima Prado Godinho, Joseane; Coutinho, Thallita; Correa, Rodrigo S.; de Souza, Wanderley; Cola Fernandes Rodrigues, Juliany; Batista, Alzir Azevedo; Navarro, Maribel","Antiparasitic activity and ultrastructural alterations provoked by organoruthenium complexes against Leishmania amazonensis","New Journal of Chemistry","2019","43","3","1431","","10.1039/C8NJ04657C","","x-ray","0.71073","MoKα","","0.0592","0.0523","","","0.1376","0.1439","","","","","","1.058","","","","has coordinates","225003","2020-10-21","18:00:00",""
"7058047","20.732","0.003","16.101","0.001","17.977","0.003","90","","90","","90","","6000.8","1.4","293","","293","","","","","","","","synthesis as described","7","I b a 2","I 2 -2c","45","","","","- C28 H31 Cl F6 O P2 Ru -","- C28 H31 Cl F6 O P2 Ru -","- C224 H248 Cl8 F48 O8 P16 Ru8 -","8","1","","Colina-Vegas, Legna; Lima Prado Godinho, Joseane; Coutinho, Thallita; Correa, Rodrigo S.; de Souza, Wanderley; Cola Fernandes Rodrigues, Juliany; Batista, Alzir Azevedo; Navarro, Maribel","Antiparasitic activity and ultrastructural alterations provoked by organoruthenium complexes against Leishmania amazonensis","New Journal of Chemistry","2019","43","3","1431","","10.1039/C8NJ04657C","","x-ray","0.71073","MoKα","","0.0704","0.051","","","0.1307","0.1433","","","","","","1.04","","","","has coordinates","225003","2020-10-21","18:00:00",""
"7058048","14.0358","0.0017","22.951","0.003","14.5248","0.0018","90","","90","","90","","4679","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H23 N5 O2 S -","- C27 H23 N5 O2 S -","- C216 H184 N40 O16 S8 -","8","2","","Izmest’ev, Alexei N.; Vasileva, Darya A.; Melnikova, Elizaveta K.; Kolotyrkina, Natalya G.; Borisova, Irina A.; Kravchenko, Angelina N.; Gazieva, Galina A.","Skeletal rearrangement of arylmethylideneimidazo[4,5-e]thiazolo[3,2-b]-1,2,4-triazine-2,7-diones in the synthesis of the corresponding imidazo[4,5-e]thiazolo[2,3-c]-1,2,4-triazine-2,8-diones","New Journal of Chemistry","2019","43","2","1038","","10.1039/C8NJ05058A","","","0.71073","MoKα","","0.1408","0.0623","","","0.0821","0.1007","","","","","","0.985","","","","has coordinates","224817","2020-10-21","18:00:00",""
"7058049","14.0567","0.0006","16.0971","0.0007","18.9179","0.001","90","","90","","90","","4280.6","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H44 N8 Pd2 S2 -","- C46 H44 N8 Pd2 S2 -","- C184 H176 N32 Pd8 S8 -","4","0.5","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0554","0.0438","","","0.1129","0.1214","","","","","","1.184","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058050","11.6247","0.0005","14.8522","0.0005","14.4971","0.0006","90","","91.424","0.004","90","","2502.19","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N8 Pd2 S2 -","- C52 H40 N8 Pd2 S2 -","- C104 H80 N16 Pd4 S4 -","2","0.5","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0799","0.0603","","","0.141","0.1497","","","","","","1.212","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058051","11.3614","0.0003","13.7572","0.0003","41.7197","0.0013","90","","90","","90","","6520.8","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H40 N4 O3 P2 Pd S -","- C29 H40 N4 O3 P2 Pd S -","- C232 H320 N32 O24 P16 Pd8 S8 -","8","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0569","0.049","","","0.1016","0.1048","","","","","","1.225","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058052","28.9876","0.0019","11.458","0.0007","20.2376","0.0015","90","","104.786","0.008","90","","6499.1","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 N7 O4 P Pd S -","- C30 H37 N7 O4 P Pd S -","- C240 H296 N56 O32 P8 Pd8 S8 -","8","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0286","0.0258","","","0.0617","0.0632","","","","","","1.072","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058053","10.9588","0.0005","13.9322","0.0008","15.0765","0.0006","112.29","0.004","97.668","0.004","108.324","0.005","1936.4","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H56 N7 O3 P Pd S -","- C37 H40 N7 O3 P Pd S -","- C74 H80 N14 O6 P2 Pd2 S2 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0582","0.0476","","","0.1343","0.1394","","","","","","1.077","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058054","14.0233","0.0005","13.5565","0.0005","16.9737","0.0008","90","","89.87","0.004","90","","3226.8","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Cl2 N5 O3 Pd S -","- C31 H33 Cl2 N5 O3 Pd S -","- C124 H132 Cl8 N20 O12 Pd4 S4 -","4","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0508","0.043","","","0.118","0.1249","","","","","","0.986","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058055","10.9066","0.0005","12.8213","0.0006","12.8595","0.0006","72.737","0.004","73.456","0.004","69.959","0.004","1579.3","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N7 P Pd S -","- C33 H34 N7 P Pd S -","- C66 H68 N14 P2 Pd2 S2 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0576","0.0537","","","0.1381","0.1434","","","","","","1.104","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058056","9.2297","0.0003","11.1576","0.0004","16.1202","0.0005","72.627","0.003","76.087","0.003","85.936","0.002","1537.87","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H39 N4 O3 P Pd S -","- C31 H28 N4 O3 P Pd S -","- C62 H56 N8 O6 P2 Pd2 S2 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0363","0.0337","","","0.0957","0.0977","","","","","","1.077","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058057","10.183","0.0007","11.6661","0.0005","14.8821","0.0005","69.549","0.003","78.925","0.004","74.569","0.005","1587.14","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 N5 Pd S -","- C34 H27 N5 Pd S -","- C68 H54 N10 Pd2 S2 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.064","0.0483","","","0.1263","0.1335","","","","","","1.036","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058058","13.502","0.005","14.691","0.005","29.759","0.005","97.088","0.005","92.815","0.005","112.468","0.005","5383","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H118 N21 O9 P3 Pd3 S3 -","- C101 H118 N21 O9 P3 Pd3 S3 -","- C202 H236 N42 O18 P6 Pd6 S6 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.1246","0.0577","","","0.1652","0.2205","","","","","","1.065","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058059","10.7843","0.0004","19.7675","0.0006","23.703","0.0007","101.376","0.003","99.035","0.002","95.764","0.003","4847","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H85 Cl2 N12 O19 P3 Pd3 S3 -","- C88 H81 Cl2 N12 O19 P3 Pd3 S3 -","- C176 H162 Cl4 N24 O38 P6 Pd6 S6 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0705","0.0577","","","0.1466","0.1544","","","","","","1.062","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058060","28.5923","0.0018","9.0068","0.0002","19.4455","0.0012","90","","129.889","0.01","90","","3842.4","0.7","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H48 N4 P2 Pd S -","- C36 H48 N4 P2 Pd S -","- C144 H192 N16 P8 Pd4 S4 -","4","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0259","0.025","","","0.0646","0.0654","","","","","","1.083","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058061","11.6013","0.0005","12.855","0.0006","13.2434","0.0007","110.543","0.004","98.363","0.004","96.758","0.003","1799.19","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H41 Cl3 N7 P Pd S -","- C30 H41 Cl3 N7 P Pd S -","- C60 H82 Cl6 N14 P2 Pd2 S2 -","2","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0518","0.0473","","","0.1309","0.1348","","","","","","1.034","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058062","10.7938","0.0005","11.4007","0.0005","13.4215","0.0007","89.584","0.002","75.569","0.002","71.945","0.002","1516.34","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Br2 F N2 Pt -","- C12 H17 Br2 F N2 Pt -","- C48 H68 Br8 F4 N8 Pt4 -","4","2","","Lázaro, Ariadna; Serra, Oriol; Rodríguez, Laura; Crespo, Margarita; Font-Bardia, Mercè","Luminescence studies of new [C,N,N′] cyclometallated platinum(ii) and platinum(iv) compounds","New Journal of Chemistry","2019","43","3","1247","","10.1039/C8NJ05492D","","","0.71073","MoKα","","0.0242","0.0212","","","0.0541","0.0554","","","","","","1.029","","","","has coordinates","225015","2020-10-21","18:00:00",""
"7058063","15.9976","0.0006","7.1424","0.0003","13.7123","0.0005","90","","90","","90","","1566.78","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Br3 F N2 Pt -","- C12 H16 Br3 F N2 Pt -","- C48 H64 Br12 F4 N8 Pt4 -","4","1","","Lázaro, Ariadna; Serra, Oriol; Rodríguez, Laura; Crespo, Margarita; Font-Bardia, Mercè","Luminescence studies of new [C,N,N′] cyclometallated platinum(ii) and platinum(iv) compounds","New Journal of Chemistry","2019","43","3","1247","","10.1039/C8NJ05492D","","","0.71073","MoKα","","0.0376","0.03","","","0.0673","0.0707","","","","","","1.046","","","","has coordinates","225015","2020-10-21","18:00:00",""
"7058064","15.4189","0.0018","8.7061","0.001","30.311","0.003","90","","104.344","0.004","90","","3942.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br F N2 Pt -","- C12 H16 Br F N2 Pt -","- C144 H192 Br12 F12 N24 Pt12 -","12","3","","Lázaro, Ariadna; Serra, Oriol; Rodríguez, Laura; Crespo, Margarita; Font-Bardia, Mercè","Luminescence studies of new [C,N,N′] cyclometallated platinum(ii) and platinum(iv) compounds","New Journal of Chemistry","2019","43","3","1247","","10.1039/C8NJ05492D","","","0.71073","MoKα","","0.1368","0.0604","","","0.0718","0.0858","","","","","","1.012","","","","has coordinates","225015","2020-10-21","18:00:00",""
"7058065","8.075","0.0003","8.1606","0.0003","23.9013","0.0009","90","","98.36","0.001","90","","1558.28","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br2 F N2 Pt -","- C13 H19 Br2 F N2 Pt -","- C52 H76 Br8 F4 N8 Pt4 -","4","1","","Lázaro, Ariadna; Serra, Oriol; Rodríguez, Laura; Crespo, Margarita; Font-Bardia, Mercè","Luminescence studies of new [C,N,N′] cyclometallated platinum(ii) and platinum(iv) compounds","New Journal of Chemistry","2019","43","3","1247","","10.1039/C8NJ05492D","","","0.71073","MoKα","","0.0235","0.0197","","","0.0444","0.0458","","","","","","1.106","","","","has coordinates","225015","2020-10-21","18:00:00",""
"7058066","18.97","0.003","18.97","0.003","18.214","0.004","90","","90","","90","","6555","2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 Gd8 N16 O50 -","- C90 H100 Gd8 N16 O50 -","- C180 H200 Gd16 N32 O100 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0447","0.0422","","","0.1056","0.108","","","","","","1.078","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058067","19.107","0.003","19.107","0.003","18.188","0.004","90","","90","","90","","6640","2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 N16 O50 Tb8 -","- C90 H100 N16 O50 Tb8 -","- C180 H200 N32 O100 Tb16 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0348","0.0342","","","0.0936","0.0943","","","","","","1.028","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058068","19.037","0.003","19.037","0.003","18.195","0.004","90","","90","","90","","6594","2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 Dy8 N16 O50 -","- C90 H100 Dy8 N16 O50 -","- C180 H200 Dy16 N32 O100 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0348","0.0338","","","0.0886","0.09","","","","","","1.02","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058069","18.7121","0.0005","18.7121","0.0005","18.3396","0.0011","90","","90","","90","","6421.5","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C90 H100 Ho8 N16 O50 -","- C90 H100 Ho8 N16 O50 -","- C180 H200 Ho16 N32 O100 -","2","0.25","","Li, Ling-Fei; Kuang, Wei-Wei; Li, Yi-Ming; Zhu, Li-Li; Xu, Yun; Yang, Pei-Pei","A series of new octanuclear Ln8 clusters: magnetic studies reveal a significant cryogenic magnetocaloric effect and slow magnetic relaxation","New Journal of Chemistry","2019","43","3","1617","","10.1039/C8NJ04231D","","","0.71073","MoKα","","0.0359","0.0348","","","0.1206","0.1237","","","","","","1.006","","","","has coordinates","225009","2020-10-21","18:00:00",""
"7058070","5.4334","0.0007","6.5582","0.0009","13.8317","0.0019","90","","90","","90","","492.87","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N6 -","- C3 H2 N6 -","- C12 H8 N24 -","4","1","","Wang, Guilong; Lu, Tian; Fan, Guijuan; Yin, Hongquan; Chen, Fu-Xue","Synthesis and properties of insensitive [1,2,4]triazolo[4,3-b]-1,2,4,5-tetrazine explosives","New Journal of Chemistry","2019","43","4","1663","","10.1039/C8NJ05220D","","","0.71073","MoKα","","0.0916","0.0886","","","0.2403","0.2426","","","","","","0.995","","","","has coordinates","224800","2020-10-21","18:00:00",""
"7058071","7.5145","0.0011","6.2774","0.0009","13.7315","0.0019","90","","90","","90","","647.74","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H2 Cl N7 -","- C3 H2 Cl N7 -","- C12 H8 Cl4 N28 -","4","0.5","","Wang, Guilong; Lu, Tian; Fan, Guijuan; Yin, Hongquan; Chen, Fu-Xue","Synthesis and properties of insensitive [1,2,4]triazolo[4,3-b]-1,2,4,5-tetrazine explosives","New Journal of Chemistry","2019","43","4","1663","","10.1039/C8NJ05220D","","","0.71073","MoKα","","0.0312","0.0295","","","0.0897","0.0919","","","","","","1.027","","","","has coordinates","224800","2020-10-21","18:00:00",""
"7058072","10.668","0.005","29.772","0.005","15.94","0.005","90","0.005","98.866","0.005","90","0.005","5002","3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H18 Co O10 -","- C34 H18 Co O10 -","- C136 H72 Co4 O40 -","4","0.5","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of a 3D porous Co(ii) metal‒organic framework (MOF) with Lewis acidic metal sites exhibiting selective CO2 capture and conversion under mild conditions","New Journal of Chemistry","2019","43","5","2163","","10.1039/C8NJ04947E","","","0.71073","MoKα","","0.1796","0.0851","","","0.2197","0.2512","","","","","","0.989","","","","has coordinates","224771","2020-10-21","18:00:00",""
"7058073","9.1505","0.001","10.4512","0.0011","13.869","0.002","108.994","0.013","101.343","0.012","97.79","0.009","1200.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N7 O3 Zn -","- C26 H18 N7 O3 Zn -","- C52 H36 N14 O6 Zn2 -","2","1","","Guo, Xiao-Yu; Dong, Zhen-Peng; Zhao, Fei; Liu, Zhi-Liang; Wang, Yan-Qin","Zinc(ii)‒organic framework as a multi-responsive photoluminescence sensor for efficient and recyclable detection of pesticide 2,6-dichloro-4-nitroaniline, Fe(iii) and Cr(vi)","New Journal of Chemistry","2019","43","5","2353","","10.1039/C8NJ05647A","","","1.54184","CuKα","","0.1237","0.0922","","","0.2567","0.2778","","","","","","1.118","","","","has coordinates","224773","2020-10-21","18:00:00",""
"7058074","9.2973","0.0004","16.7097","0.0007","11.0503","0.0005","90","","94.76","0.004","90","","1710.8","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N5 O -","- C19 H16 Cl N5 O -","- C76 H64 Cl4 N20 O4 -","4","1","","Si, Wei-Jie; Wang, Xiao-Bin; Chen, Min; Wang, Meng-Qi; Lu, Ai-Min; Yang, Chun-Long","Design, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety","New Journal of Chemistry","2019","43","7","3000","","10.1039/C8NJ05150J","","","0.71073","MoKα","","0.0538","0.0428","","","0.0949","0.1021","","","","","","1.041","","","","has coordinates","224882","2020-10-21","18:00:00",""
"7058075","10.8744","0.0001","10.9834","0.0006","15.2965","0.0008","83.277","0.004","85.498","0.003","84","0.003","1800.41","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 O31 Pr2 -","- C18 H36 O31 Pr2 -","- C36 H72 O62 Pr4 -","2","1","","Kumar, Manesh; Sheikh, Haq Nawaz; Fraconetti, Antonio; Zaręba, Jan K.; Sahoo, Subash Chandra; Frontera, Antonio","2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π‒π stacking and hydrogen bonding","New Journal of Chemistry","2019","43","5","2179","","10.1039/C8NJ05701J","","","0.71073","MoKα","","0.0386","0.0338","","","0.0843","0.0879","","","","","","1.026","","","","has coordinates","224774","2020-10-21","18:00:00",""
"7058076","10.3278","0.0002","21.1127","0.0003","15.6552","0.0002","90","","93.819","0.001","90","","3406","0.09","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30.5 Eu2 N2 O22.25 -","- C24 H30.5 Eu2 N2 O22.25 -","- C96 H122 Eu8 N8 O89 -","4","1","","Kumar, Manesh; Sheikh, Haq Nawaz; Fraconetti, Antonio; Zaręba, Jan K.; Sahoo, Subash Chandra; Frontera, Antonio","2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π‒π stacking and hydrogen bonding","New Journal of Chemistry","2019","43","5","2179","","10.1039/C8NJ05701J","","","0.71073","MoKα","","0.0356","0.033","","","0.0814","0.0826","","","","","","1.113","","","","has coordinates,has disorder","224774","2020-10-21","18:00:00",""
"7058077","10.3281","0.0001","21.1366","0.0003","15.6427","0.0002","90","","93.925","0.001","90","","3406.81","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30.67 N2 O22.33 Pr2 -","- C24 H30.6666 N2 O22.3333 Pr2 -","- C96 H122.666 N8 O89.3332 Pr8 -","4","1","","Kumar, Manesh; Sheikh, Haq Nawaz; Fraconetti, Antonio; Zaręba, Jan K.; Sahoo, Subash Chandra; Frontera, Antonio","2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π‒π stacking and hydrogen bonding","New Journal of Chemistry","2019","43","5","2179","","10.1039/C8NJ05701J","","x-ray","0.71073","MoKα","","0.0424","0.0408","","","0.0961","0.0968","","","","","","1.231","","","","has coordinates,has disorder","224774","2020-10-21","18:00:00",""
"7058078","10.4214","0.0001","21.233","0.0003","15.8248","0.0002","90","","93.877","0.001","90","","3493.66","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30.67 Ce2 N2 O22.33 -","- C24 H30.6666 Ce2 N2 O22.3333 -","- C96 H122.666 Ce8 N8 O89.3332 -","4","1","","Kumar, Manesh; Sheikh, Haq Nawaz; Fraconetti, Antonio; Zaręba, Jan K.; Sahoo, Subash Chandra; Frontera, Antonio","2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π‒π stacking and hydrogen bonding","New Journal of Chemistry","2019","43","5","2179","","10.1039/C8NJ05701J","","","0.71073","MoKα","","0.0422","0.0381","","","0.0862","0.0876","","","","","","1.203","","","","has coordinates,has disorder","224774","2020-10-21","18:00:00",""
"7058079","10.3164","0.0002","21.2432","0.0005","15.6712","0.0003","90","","94.213","0.002","90","","3425.12","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N Nd2 O21.5 -","- C21 H24 N Nd2 O21.5 -","- C84 H96 N4 Nd8 O86 -","4","1","","Kumar, Manesh; Sheikh, Haq Nawaz; Fraconetti, Antonio; Zaręba, Jan K.; Sahoo, Subash Chandra; Frontera, Antonio","2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role of heteroaromatic π‒π stacking and hydrogen bonding","New Journal of Chemistry","2019","43","5","2179","","10.1039/C8NJ05701J","","","0.71073","MoKα","","0.0397","0.0356","","","0.083","0.0845","","","","","","1.142","","","","has coordinates","224774","2020-10-21","18:00:00",""
"7058080","12.401","0.003","19.901","0.006","13.776","0.004","90","","107.718","0.005","90","","3238.5","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Br4 Cu4 N6 O15.5 -","- C46 H64 Br4 Cu4 N6 O15.5 -","- C92 H128 Br8 Cu8 N12 O31 -","2","0.5","","Dasgupta, Sanchari; Aullón, Gabriel; Zangrando, Ennio; Das, Debasis","Mapping the working route of phosphate monoester hydrolysis catalyzed by copper based models with special emphasis on the role of oxoanions by experimental and theoretical studies","New Journal of Chemistry","2019","43","6","2501","","10.1039/C8NJ04018D","","","0.71073","MoKα","","0.1357","0.0621","","","0.1518","0.1844","","","","","","0.973","","","","has coordinates","224822","2020-10-21","18:00:00",""
"7058081","11.3423","0.001","11.3744","0.001","24.43","0.002","90","","100.142","0.003","90","","3102.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 Br4 Cu4 N6 O14 -","- C52 H74 Br4 Cu4 N6 O14 -","- C104 H148 Br8 Cu8 N12 O28 -","2","0.5","","Dasgupta, Sanchari; Aullón, Gabriel; Zangrando, Ennio; Das, Debasis","Mapping the working route of phosphate monoester hydrolysis catalyzed by copper based models with special emphasis on the role of oxoanions by experimental and theoretical studies","New Journal of Chemistry","2019","43","6","2501","","10.1039/C8NJ04018D","","","0.71073","MoKα","","0.0707","0.0444","","","0.0977","0.1086","","","","","","1.014","","","","has coordinates","224822","2020-10-21","18:00:00",""
"7058082","9.1292","0.0007","9.3744","0.0007","10.0457","0.0006","84.328","0.003","88.471","0.003","61.065","0.003","748.5","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(diphenylamino)benzamide","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy","Synthesis of blue-red emissive amido-substituted di(het)aryl and tri(het)aryl amine derivatives via chemoselective N-mono and N,N-diarylation of (het) aryl amino amides using benzyne/arynes","New Journal of Chemistry","2019","43","6","2550","","10.1039/C8NJ05823G","","","0.71073","MoKα","","0.0624","0.0394","","","0.0925","0.1126","","","","","","1.044","","","","has coordinates","224823","2020-10-21","18:00:00",""
"7058083","13.1559","0.0004","22.4747","0.0005","16.1361","0.0006","90","","109.698","0.004","90","","4491.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H40 Eu N3 O6 -","- C53 H40 Eu N3 O6 -","- C212 H160 Eu4 N12 O24 -","4","1","","Hasan, Najmul; Iftikhar, Khalid","Synthesis, crystal structure and photoluminescence studies of [Eu(dbm)3(impy)] and its polymer-based hybrid film","New Journal of Chemistry","2019","43","6","2479","","10.1039/C8NJ04560G","","","0.71073","MoKα","","0.0659","0.0457","","","0.1034","0.1158","","","","","","1.088","","","","has coordinates","224831","2020-10-21","18:00:00",""
"7058084","14.4786","0.0002","10.12288","0.00017","24.3681","0.0004","90","","93.7253","0.0014","90","","3563.97","0.1","125","","125","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Cl Cu N P2 Se -","- C41 H34 Cl Cu N P2 Se -","- C164 H136 Cl4 Cu4 N4 P8 Se4 -","4","1","","Chauhan, Rohit Singh; Oza, Dhvani; Yadav, Seema; Dash, Chandrakanta; Slawin, Alexandra M. Z.; Shivran, Neelam","Copper complexes of arylselenolate-based ligands: synthesis and catalytic activity in azide‒alkyne cycloaddition reactions","New Journal of Chemistry","2019","43","5","2381","","10.1039/C8NJ04602F","","","1.54187","CuKα","","0.0355","0.033","","","0.0887","0.0907","","","","","","1.003","","","","has coordinates","224769","2020-10-21","18:00:00",""
"7058085","27.204","0.0003","19.6028","0.0002","24.425","0.0003","90","","103.692","0.001","90","","12655.1","0.3","110","2","110","2","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of negatively charged C70 dimer with cryptand[2.2.2] potassium, n-hexane/o-dichlobenzene solvate","","- C194 H91.5 Cl4.5 K2 N4 O12 -","- C194 H91.5 Cl4.5 K2 N4 O12 -","- C776 H366 Cl18 K8 N16 O48 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Goryunkov, Alexey A.; Troyanov, Sergey I.; Brotsman, Victor A.; Ioffe, Ilya N.; Lyubovskaya, Rimma N.","Negatively charged singly-bonded dimers of C1-[C70(CF3)10] and bare C70 fullerene","New Journal of Chemistry","2019","43","6","2726","","10.1039/C8NJ05847D","","x-ray","0.71073","MoKα","","0.0685","0.0495","","","0.1206","0.1321","","","","","","1.025","","","","has coordinates,has disorder","224824","2020-10-21","18:00:00",""
"7058086","19.095","0.0007","21.5607","0.0009","19.4136","0.0006","90","","92.127","0.003","90","","7987.1","0.5","100","2","130","2","","","","","","","no","7","P 1 21/n 1","-P 2yn","14","no","salt of negatively charged dimer of C70(CF3)10 with potassium cryptand[2.2.2], hexane/o-dichlorobenzene solvate","","- C103.46 H46.77 Cl0.4 F30 K N2 O6 -","- C103.46 H46.77 Cl0.394 F30 K N2 O6 -","- C413.84 H187.08 Cl1.576 F120 K4 N8 O24 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Goryunkov, Alexey A.; Troyanov, Sergey I.; Brotsman, Victor A.; Ioffe, Ilya N.; Lyubovskaya, Rimma N.","Negatively charged singly-bonded dimers of C1-[C70(CF3)10] and bare C70 fullerene","New Journal of Chemistry","2019","43","6","2726","","10.1039/C8NJ05847D","","x-ray","0.71073","MoKα","","0.1154","0.0787","","","0.19","0.2082","","","","","","1.002","","","","has coordinates,has disorder","224824","2020-10-21","18:00:00",""
"7058087","16.96","0.0003","17.0183","0.0003","21.523","0.0004","81.101","0.002","74.353","0.002","83.299","0.002","5891.59","0.19","100","1","100","1","","","","","","","no","6","P -1","-P 1","2","no","salt of negatively charged C70 dimer with cryptand[2.2.1] sodium, o-dichlorobenzene solvate","","- C190 H76 Cl6 N4 Na2 O10 -","- C190 H76 Cl6 N4 Na2 O10 -","- C380 H152 Cl12 N8 Na4 O20 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Goryunkov, Alexey A.; Troyanov, Sergey I.; Brotsman, Victor A.; Ioffe, Ilya N.; Lyubovskaya, Rimma N.","Negatively charged singly-bonded dimers of C1-[C70(CF3)10] and bare C70 fullerene","New Journal of Chemistry","2019","43","6","2726","","10.1039/C8NJ05847D","","x-ray","0.71073","MoKα","","0.0847","0.0568","","","0.1318","0.1467","","","","","","1.028","","","","has coordinates,has disorder","224824","2020-10-21","18:00:00",""
"7058088","10.634","0.002","10.978","0.002","11.159","0.002","61.59","0.002","71.105","0.002","73.667","0.002","1071.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","H2L","","- C24 H19 F N4 O3 -","- C24 H19 F N4 O3 -","- C48 H38 F2 N8 O6 -","2","1","","Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng","Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity","New Journal of Chemistry","2019","43","6","2529","","10.1039/C8NJ02695E","","","0.71073","MoKα","","0.0422","0.036","","","0.0975","0.1034","","","","","","1.098","","","","has coordinates","224828","2020-10-21","18:00:00",""
"7058089","5.7668","0.0008","21.831","0.003","11.7987","0.0016","90","","97.694","0.002","90","","1472","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H25 Cu F N6 O3 -","- C36 H25 Cu F N6 O3 -","- C72 H50 Cu2 F2 N12 O6 -","2","1","","Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng","Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity","New Journal of Chemistry","2019","43","6","2529","","10.1039/C8NJ02695E","","","0.71073","MoKα","","0.0468","0.0387","","","0.0756","0.0783","","","","","","1.005","","","","has coordinates","224828","2020-10-21","18:00:00",""
"7058090","22.358","0.007","5.9648","0.0018","21.456","0.007","90","","90","","90","","2861.4","1.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H25 Cu F N6 O3 -","- C34 H25 Cu F N6 O3 -","- C136 H100 Cu4 F4 N24 O12 -","4","1","","Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng","Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity","New Journal of Chemistry","2019","43","6","2529","","10.1039/C8NJ02695E","","","0.71073","MoKα","","0.0844","0.0682","","","0.1627","0.1737","","","","","","1.038","","","","has coordinates","224828","2020-10-21","18:00:00",""
"7058091","9.6433","0.0006","13.9637","0.001","14.9574","0.001","66.063","0.007","82.774","0.005","86.174","0.006","1826","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H26 Cl3 Cu F N8 O3 -","- C39 H26 Cl3 Cu F N8 O3 -","- C78 H52 Cl6 Cu2 F2 N16 O6 -","2","1","","Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng","Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity","New Journal of Chemistry","2019","43","6","2529","","10.1039/C8NJ02695E","","","1.54178","CuKα","","0.0631","0.0603","","","0.1671","0.1724","","","","","","1.011","","","","has coordinates","224828","2020-10-21","18:00:00",""
"7058092","8.9492","0.0006","15.0001","0.0008","18.6066","0.001","90","","94.265","0.002","90","","2490.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 O -","- C33 H24 O -","- C132 H96 O4 -","4","1","","Jia, Junhui; Zhao, Haixia","Remarkable isomeric effects on the mechanofluorochromism of tetraphenylethylene-based D‒π‒A derivatives","New Journal of Chemistry","2019","43","5","2231","","10.1039/C8NJ05933K","","","0.71073","MoKα","","0.0852","0.0605","","","0.1663","0.1841","","","","","","1.029","","","","has coordinates","224770","2020-10-21","18:00:00",""
"7058093","13.447","0.0005","19.7664","0.0007","18.1854","0.0006","90","","108.902","0.001","90","","4573","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 N4 O10 Zn2 -","- C52 H44 N4 O10 Zn2 -","- C208 H176 N16 O40 Zn8 -","4","1","","Ahmed, Faruk; Ghosh, Sourav Ranjan; Halder, Soumi; Guin, Surajit; Alam, Seikh Mafiz; Ray, Partha Pratim; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah","Metal‒ligand ring aromaticity in a 2D coordination polymer used as a photosensitive electronic device","New Journal of Chemistry","2019","43","6","2710","","10.1039/C8NJ05526B","","","0.71073","MoKα","","0.0708","0.0572","","","0.165","0.1853","","","","","","0.961","","","","has coordinates","224827","2020-10-21","18:00:00",""
"7058094","26.181","0.001","24.18","0.0008","10.7074","0.0004","90","","90","","90","","6778.4","0.4","290","","290","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C320 H272 N48 O32 -","16","1","","Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.","Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures","New Journal of Chemistry","2019","43","6","2740","","10.1039/C8NJ05748F","","","0.71073","MoKα","","0.0787","0.0497","","","0.1072","0.121","","","","","","1.102","","","","has coordinates","224829","2020-10-21","18:00:00",""
"7058095","5.9932","0.0006","10.2222","0.0011","10.8532","0.0011","95.69","0.009","101.192","0.009","103.562","0.009","626.74","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C24 H24 N8 O8 -","2","1","","Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.","Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures","New Journal of Chemistry","2019","43","6","2740","","10.1039/C8NJ05748F","","x-ray","0.71073","MoKα","","0.0915","0.0564","","","0.1246","0.1491","","","","","","1.041","","","","has coordinates","224829","2020-10-21","18:00:00",""
"7058096","21.3276","0.0008","5.821","0.0003","20.1338","0.0009","90","","100.475","0.004","90","","2457.91","0.19","290","","290","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","","Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.","Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures","New Journal of Chemistry","2019","43","6","2740","","10.1039/C8NJ05748F","","","0.71073","MoKα","","0.0822","0.0516","","","0.1227","0.142","","","","","","1.04","","","","has coordinates","224829","2020-10-21","18:00:00",""
"7058097","9.7216","0.0003","10.6601","0.0003","22.1772","0.0005","90","","90","","90","","2298.29","0.11","290","","290","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C80 H88 N24 O16 S8 -","8","1","","Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.","Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures","New Journal of Chemistry","2019","43","6","2740","","10.1039/C8NJ05748F","","","0.71073","MoKα","","0.0598","0.0434","","","0.1081","0.1168","","","","","","1.054","","","","has coordinates","224829","2020-10-21","18:00:00",""
"7058098","6.769","0.004","8.079","0.004","13.343","0.007","106.008","0.007","102.69","0.006","91.343","0.007","681.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 Br2 N4 O3 Re -","- C10 H5 Br2 N4 O3 Re -","- C20 H10 Br4 N8 O6 Re2 -","2","1","","Pizarro, Nancy; Saldías, Marianela; Guzmán, Nicolás; Sandoval-Altamirano, Catalina; Kahlal, Samia; Saillard, Jean-Yves; Hamon, Jean-René; Vega, Andrés","1IL and 3MLCT excited states modulated by H+: the structure and photophysical properties of [(2-bromo-5-(1H-pyrazol-1-yl)pyrazine)Re(CO)3Br]","New Journal of Chemistry","2019","43","6","2449","","10.1039/C8NJ04196B","","","0.71073","MoKα","","0.0674","0.0517","","","0.1146","0.1233","","","","","","1.064","","","","has coordinates","224825","2020-10-21","18:00:00",""
"7058099","6.612","0.0019","7.947","0.002","13.079","0.004","105.928","0.003","102.163","0.003","92.124","0.003","642.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 Br2 N4 O3 Re -","- C10 H5 Br2 N4 O3 Re -","- C20 H10 Br4 N8 O6 Re2 -","2","1","","Pizarro, Nancy; Saldías, Marianela; Guzmán, Nicolás; Sandoval-Altamirano, Catalina; Kahlal, Samia; Saillard, Jean-Yves; Hamon, Jean-René; Vega, Andrés","1IL and 3MLCT excited states modulated by H+: the structure and photophysical properties of [(2-bromo-5-(1H-pyrazol-1-yl)pyrazine)Re(CO)3Br]","New Journal of Chemistry","2019","43","6","2449","","10.1039/C8NJ04196B","","","0.71073","MoKα","","0.0235","0.0216","","","0.0495","0.0502","","","","","","1.055","","","","has coordinates","224825","2020-10-21","18:00:00",""
"7058100","29.0717","0.0018","29.0717","0.0018","32.901","0.002","90","","90","","120","","24081","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- Cr3 Cs6 Dy3 Ge3 K4.5 Na7 O136.5 W30 -","- Cr3 Cs6 Dy3 Ge3 K4.5 Na7 O136.5 W30 -","- Cr18 Cs36 Dy18 Ge18 K27 Na42 O819 W180 -","6","0.333333","","Gu, Ya-Nan; Yu, Hao; Lin, Li-Dan; Wu, Yan-Lan; Li, Zhong; Pan, Wen-Yue; He, Jiang; Chen, Ling; Li, Qi; Li, Xin-Xiong","Two rare Cr–Ln (Ln = Dy, Tb) heterometallic cluster substituted polyoxometalates featuring hexameric aggregates: hydrothermal syntheses, crystal structures and magnetic studies","New Journal of Chemistry","2019","43","7","3011","","10.1039/C8NJ06327C","","","0.71073","MoKα","","0.0452","0.0376","","","0.0953","0.0995","","","","","","1.028","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7058101","29.0355","0.0011","29.0355","0.0011","32.8451","0.0013","90","","90","","120","","23980.6","1.6","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- Cr3 Cs6 Ge3 K4.5 Na7 O136.5 Tb3 W30 -","- Cr3 Cs6 Ge3 K4.5 Na7 O136.5 Tb3 W30 -","- Cr18 Cs36 Ge18 K27 Na42 O819 Tb18 W180 -","6","0.333333","","Gu, Ya-Nan; Yu, Hao; Lin, Li-Dan; Wu, Yan-Lan; Li, Zhong; Pan, Wen-Yue; He, Jiang; Chen, Ling; Li, Qi; Li, Xin-Xiong","Two rare Cr‒Ln (Ln = Dy, Tb) heterometallic cluster substituted polyoxometalates featuring hexameric aggregates: hydrothermal syntheses, crystal structures and magnetic studies","New Journal of Chemistry","2019","43","7","3011","","10.1039/C8NJ06327C","","","0.71073","MoKα","","0.0393","0.031","","","0.0744","0.0773","","","","","","1.059","","","","has coordinates","224885","2020-10-21","18:00:00",""
"7058102","10.105","0.003","11.067","0.003","19.715","0.005","100.277","0.003","97.167","0.003","112.992","0.003","1950.5","0.9","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Br Cu N6 O3 S6 -","- C36 H30 Br Cu N6 O3 S6 -","- C72 H60 Br2 Cu2 N12 O6 S12 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Narmatha, Eswaramoorthi; Bhuvanesh, Nattamai S. P.; Aoki, Shin; Awale, Suresh; Karvembu, Ramasamy","Highly active copper(i) complexes of aroylthiourea ligands against cancer cells ‒ synthetic and biological studies","New Journal of Chemistry","2019","43","7","3188","","10.1039/C8NJ04246B","","","0.71073","MoKα","","0.0849","0.0492","","","0.0985","0.1125","","","","","","1.032","","","","has coordinates","224881","2020-10-21","18:00:00",""
"7058103","9.942","0.002","10.631","0.002","19.827","0.004","100.087","0.002","97.217","0.002","111.76","0.002","1874.1","0.6","110.15","","110.15","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H30 Br0.72 Cl0.29 Cu N6 O6 S3 -","- C36 H30 Br0.72 Cl0.29 Cu N6 O6 S3 -","- C72 H60 Br1.44 Cl0.58 Cu2 N12 O12 S6 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Narmatha, Eswaramoorthi; Bhuvanesh, Nattamai S. P.; Aoki, Shin; Awale, Suresh; Karvembu, Ramasamy","Highly active copper(i) complexes of aroylthiourea ligands against cancer cells ‒ synthetic and biological studies","New Journal of Chemistry","2019","43","7","3188","","10.1039/C8NJ04246B","","","0.71073","MoKα","","0.0653","0.0423","","","0.0857","0.0948","","","","","","1.026","","","","has coordinates,has disorder","224881","2020-10-21","18:00:00",""
"7058104","22.998","0.015","5.876","0.004","17.748","0.011","90","","121.983","0.007","90","","2034","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd Na6 S10 Sb4 -","- Cd Na6 S10 Sb4 -","- Cd4 Na24 S40 Sb16 -","4","0.5","","Huang, Yi; Wu, Xiaowen; Beysen, Sadeh","Investigation on two new antimony-based quaternary chalcogenides: Na6CdSb4S10 and Na3CdSbSe4","New Journal of Chemistry","2019","43","8","3350","","10.1039/C8NJ04072A","","","0.71073","MoKα","","0.0932","0.049","","","0.0976","0.1159","","","","","","1.05","","","","has coordinates","224753","2020-10-21","18:00:00",""
"7058105","7.353","0.003","16.105","0.007","8.32","0.003","90","","106.483","0.004","90","","944.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cd Na3 Sb Se4 -","- Cd Na3 Sb Se4 -","- Cd4 Na12 Sb4 Se16 -","4","1","","Huang, Yi; Wu, Xiaowen; Beysen, Sadeh","Investigation on two new antimony-based quaternary chalcogenides: Na6CdSb4S10 and Na3CdSbSe4","New Journal of Chemistry","2019","43","8","3350","","10.1039/C8NJ04072A","","","0.71073","MoKα","","0.0722","0.0476","","","0.111","0.1204","","","","","","1.088","","","","has coordinates","224753","2020-10-21","18:00:00",""
"7058106","13.9364","0.0002","18.6081","0.0003","16.7286","0.0003","90","","94.52","0.001","90","","4324.73","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N6 O3 Pt S2 -","- C48 H50 N6 O3 Pt S2 -","- C192 H200 N24 O12 Pt4 S8 -","4","1","","Kangara, Edmore F.; Peega, Tebogo; Harmse, Leonie; van Wyk, Juanita L.; Levendis, Demetrius C.; Kotzé, Izak A.","Conformational analysis and potential anticancer activity of [Pt(phen)(L1-κS)2] studied by single crystal X-ray diffraction and variable temperature 1H and 195Pt NMR spectroscopy","New Journal of Chemistry","2019","43","9","3665","","10.1039/C8NJ06010J","","","0.71073","MoKα","","0.0386","0.0225","","","0.0425","0.045","","","","","","0.966","","","","has coordinates","224890","2020-10-21","18:00:00",""
"7058107","12.1002","0.0004","21.8812","0.0008","16.8746","0.0006","90","","109.108","0.001","90","","4221.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H98 N12 O8 Pt2 S4 -","- C91 H98 N12 O8 Pt2 S4 -","- C182 H196 N24 O16 Pt4 S8 -","2","1","","Kangara, Edmore F.; Peega, Tebogo; Harmse, Leonie; van Wyk, Juanita L.; Levendis, Demetrius C.; Kotzé, Izak A.","Conformational analysis and potential anticancer activity of [Pt(phen)(L1-κS)2] studied by single crystal X-ray diffraction and variable temperature 1H and 195Pt NMR spectroscopy","New Journal of Chemistry","2019","43","9","3665","","10.1039/C8NJ06010J","","","0.71073","MoKα","","0.0219","0.0205","","","0.0446","0.0449","","","","","","1.085","","","","has coordinates","224890","2020-10-21","18:00:00",""
"7058108","38.41","0.003","38.41","0.003","12.7948","0.0011","90","","90","","120","","16348","2","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C50.52 H66 Br4 Cl1.48 N8.52 Ni2 O14 Pb2 S2.52 -","- C50.514 H58 Br4 Cl1.486 N8.514 Ni2 O14 Pb2 S2.514 -","- C454.626 H522 Br36 Cl13.374 N76.626 Ni18 O126 Pb18 S22.626 -","9","0.5","","Roy, Sourav; Dey, Arka; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","A tetranuclear nickel/lead complex with a salen type Schiff base: synthesis, structure and exploration of photosensitive Schottky barrier diode behaviour","New Journal of Chemistry","2019","43","13","5020","","10.1039/C8NJ05616A","","","0.71073","MoKα","","0.1271","0.0722","","","0.1178","0.1346","","","","","","0.989","","","","has coordinates,has disorder","224870","2020-10-21","18:00:00",""
"7058109","11.906","0.005","28.346","0.01","22.673","0.009","90","","96.952","0.01","90","","7596","5","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 F12 Mn N17 O3 P2 Ru2 -","- C69 H66 F12 Mn N17 O3 P2 Ru2 -","- C276 H264 F48 Mn4 N68 O12 P8 Ru8 -","4","1","","Liu, Ming; Hu, Jianmei; Yu, Meng; Fan, Weiwei; Ding, Wenwen; Wang, Yong","The syntheses, crystal structures, electrochemical and magnetic properties of tri-nuclear cyanide-bridged complexes [cis-MII(bpy)2(CN)2]2MnIII(salcy) (PF6) (M = Fe, Ru, Os)","New Journal of Chemistry","2019","43","7","3162","","10.1039/C8NJ04142C","","","0.71073","MoKα","","0.1012","0.085","","","0.2166","0.2297","","","","","","1.094","","","","has coordinates,has disorder","224884","2020-10-21","18:00:00",""
"7058110","11.835","0.005","28.365","0.01","22.093","0.009","90","","98.794","0.007","90","","7329","5","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H75 F6 Mn N17 O6 Os2 P -","- C73 H75 F6 Mn N17 O6 Os2 P -","- C292 H300 F24 Mn4 N68 O24 Os8 P4 -","4","1","","Liu, Ming; Hu, Jianmei; Yu, Meng; Fan, Weiwei; Ding, Wenwen; Wang, Yong","The syntheses, crystal structures, electrochemical and magnetic properties of tri-nuclear cyanide-bridged complexes [cis-MII(bpy)2(CN)2]2MnIII(salcy) (PF6) (M = Fe, Ru, Os)","New Journal of Chemistry","2019","43","7","3162","","10.1039/C8NJ04142C","","","0.71073","MoKα","","0.0993","0.0813","","","0.1804","0.1924","","","","","","1.03","","","","has coordinates","224884","2020-10-21","18:00:00",""
"7058111","15.566","0.012","23.082","0.017","22.534","0.018","90","","104.679","0.018","90","","7832","10","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H52 F6 Fe2 Mn N14 O2 P -","- C64 H52 F6 Fe2 Mn N14 O2 P -","- C256 H208 F24 Fe8 Mn4 N56 O8 P4 -","4","1","","Liu, Ming; Hu, Jianmei; Yu, Meng; Fan, Weiwei; Ding, Wenwen; Wang, Yong","The syntheses, crystal structures, electrochemical and magnetic properties of tri-nuclear cyanide-bridged complexes [cis-MII(bpy)2(CN)2]2MnIII(salcy) (PF6) (M = Fe, Ru, Os)","New Journal of Chemistry","2019","43","7","3162","","10.1039/C8NJ04142C","","","0.71073","MoKα","","0.1308","0.111","","","0.3087","0.3336","","","","","","1.015","","","","has coordinates,has disorder","224884","2020-10-21","18:00:00",""
"7058112","9.3279","0.0006","21.2988","0.0014","11.6031","0.0008","90","","113.536","0.002","90","","2113.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N4 O4 S -","- C23 H19.436 N4 O4 S -","- C92 H77.744 N16 O16 S4 -","4","1","","Mishra, Richa; Jana, Asim; Panday, Anoop Kumar; Choudhury, Lokman H.","Synthesis of spirooxindoles fused with pyrazolo-tetrahydropyridinone and coumarin-dihydropyridine-pyrazole tetracycles by reaction medium dependent isatin-based multicomponent reactions","New Journal of Chemistry","2019","43","7","2920","","10.1039/C8NJ05465G","","","0.71073","MoKα","","0.0873","0.0475","","","0.0983","0.1122","","","","","","1.068","","","","has coordinates,has disorder","224886","2020-10-21","18:00:00",""
"7058113","11.7113","0.0011","13.0264","0.0012","15.7516","0.0015","81.486","0.003","86.768","0.003","88.953","0.003","2372.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H69 B N2 O6 P2 Ru -","- C46 H69 B N2 O6 P2 Ru -","- C92 H138 B2 N4 O12 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Gasparetto, Giulia","Pentamethylcyclopentadienyl half-sandwich hydrazine complexes of ruthenium: preparation and reactivity","New Journal of Chemistry","2019","43","6","2676","","10.1039/C8NJ06019C","","","0.71073","MoKα","","0.03","0.025","","","0.0608","0.063","","","","","","1.056","","","","has coordinates","224830","2020-10-21","18:00:00",""
"7058114","28.0267","0.0017","9.751","0.0006","11.3395","0.0007","90","","90","","90","","3099","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H41 B Ru -","- C40 H41 B Ru -","- C160 H164 B4 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Gasparetto, Giulia","Pentamethylcyclopentadienyl half-sandwich hydrazine complexes of ruthenium: preparation and reactivity","New Journal of Chemistry","2019","43","6","2676","","10.1039/C8NJ06019C","","","0.71073","MoKα","","0.0363","0.032","","","0.0691","0.0706","","","","","","1.089","","","","has coordinates","224830","2020-10-21","18:00:00",""
"7058115","7.3221","0.0011","7.5071","0.0008","10.4916","0.0012","102.996","0.01","100.472","0.011","92.433","0.011","550.47","0.12","293","2","293","1","","","","","","","","6","P -1","-P 1","2","","1,3-dimethylimidazolium (?-oxido)bis[trichloridoferrate(III)]","","- C10 H18 Cl6 Fe2 N4 O -","- C10 H18 Cl6 Fe2 N4 O -","- C10 H18 Cl6 Fe2 N4 O -","1","0.5","","Scé, Fabio; Cano, Israel; Martin, Carmen; Beobide, Garikoitz; Castillo, Óscar; de Pedro, Imanol","Comparing conventional and microwave-assisted heating in PET degradation mediated by imidazolium-based halometallate complexes","New Journal of Chemistry","2019","43","8","3476","","10.1039/C8NJ06090H","","","1.54184","CuKα","","0.097","0.0865","","","0.2617","0.2806","","","","","","1.088","","","","has coordinates","224752","2020-10-21","18:00:00",""
"7058116","8.2252","0.0003","9.3639","0.0009","16.5008","0.0012","87.306","0.007","84.16","0.005","80.338","0.006","1245.78","0.16","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","bis(2-hydroxyethyl)terephthalate","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","2","","Scé, Fabio; Cano, Israel; Martin, Carmen; Beobide, Garikoitz; Castillo, Óscar; de Pedro, Imanol","Comparing conventional and microwave-assisted heating in PET degradation mediated by imidazolium-based halometallate complexes","New Journal of Chemistry","2019","43","8","3476","","10.1039/C8NJ06090H","","","1.54184","CuKα","","0.0968","0.0764","","","0.1975","0.2097","","","","","","0.948","","","","has coordinates","224752","2020-10-21","18:00:00",""
"7058117","11.5248","0.0007","12.1589","0.0008","15.9011","0.0009","77.7572","0.0019","84.7969","0.0019","67.3661","0.0019","2009.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cl Cu P2 -","- C48 H44 Cl Cu P2 -","- C96 H88 Cl2 Cu2 P4 -","2","1","","Liu, Li; Liu, Li Ping; Zhang, Rui; Zhong, Xinxin; Li, Fa-Bao; Wang, Lei; Wong, Wai-Yeung Raymond; Li, Guanghua; Cong, Hengjiang; Alharbi, Njud S.; Zhao, Yi","A new strategy to synthesize three-coordinate mononuclear copper(I) halide complexes containing bulky terphenyl bidentate phosphine ligand and their luminescent properties","New Journal of Chemistry","2019","","","","","10.1039/C8NJ05605F","","","0.71073","MoKα","","0.0919","0.0617","","","0.1388","0.1497","","","","","","1.135","","","","has coordinates","213274","2020-10-21","18:00:00",""
"7058118","11.583","0.002","12.354","0.003","15.992","0.003","77.61","0.03","84.31","0.03","68.88","0.03","2084.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cu I P2 -","- C48 H44 Cu I P2 -","- C96 H88 Cu2 I2 P4 -","2","1","","Liu, Li; Liu, Li Ping; Zhang, Rui; Zhong, Xinxin; Li, Fa-Bao; Wang, Lei; Wong, Wai-Yeung Raymond; Li, Guanghua; Cong, Hengjiang; Alharbi, Njud S.; Zhao, Yi","A new strategy to synthesize three-coordinate mononuclear copper(I) halide complexes containing bulky terphenyl bidentate phosphine ligand and their luminescent properties","New Journal of Chemistry","2019","","","","","10.1039/C8NJ05605F","","","0.71073","MoKα","","0.0851","0.0509","","","0.0897","0.1023","","","","","","1.019","","","","has coordinates","213274","2020-10-21","18:00:00",""
"7058119","10.7178","0.0007","11.1415","0.0008","20.0783","0.0014","97.728","0.002","97.484","0.002","96.348","0.002","2335.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 Br Cl4 Cu P2 -","- C50 H48 Br Cl4 Cu P2 -","- C100 H96 Br2 Cl8 Cu2 P4 -","2","1","","Liu, Li; Liu, Li Ping; Zhang, Rui; Zhong, Xinxin; Li, Fa-Bao; Wang, Lei; Wong, Wai-Yeung Raymond; Li, Guanghua; Cong, Hengjiang; Alharbi, Njud S.; Zhao, Yi","A new strategy to synthesize three-coordinate mononuclear copper(I) halide complexes containing bulky terphenyl bidentate phosphine ligand and their luminescent properties","New Journal of Chemistry","2019","","","","","10.1039/C8NJ05605F","","","0.71073","MoKα","","0.0996","0.057","","","0.1412","0.1611","","","","","","1.04","","","","has coordinates","213274","2020-10-21","18:00:00",""
"7058120","14.892","0.0003","16.9372","0.0004","17.8109","0.0004","63.89","0.002","80.685","0.002","89.895","0.002","3968.55","0.17","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C96.15 H112 O8.46 -","- C96.154 H111.984 O8.458 -","- C192.308 H223.968 O16.916 -","2","1","","Stefańska, Karolina; Szafraniec, Anna; Szymański, Marek P.; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","Chiral chromane[4]arenes synthesised by cycloaddition reactions of o-quinomethine resorcin[4]arenes","New Journal of Chemistry","2019","43","6","2687","","10.1039/C8NJ06179C","","","1.54184","CuKα","","0.0579","0.0531","","","0.1533","0.1596","","","","","","1.014","","","","has coordinates,has disorder","224826","2020-10-21","18:00:00",""
"7058121","11.3803","0.0004","21.7537","0.0009","30.4002","0.0014","90","","92.572","0.004","90","","7518.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C165 H144 B2 Cl10 N2 O4 P8 Ru2 -","- C165.002 H144.004 B2 Cl10.004 N2 O4 P8 Ru2 -","- C330.004 H288.008 B4 Cl20.008 N4 O8 P16 Ru4 -","2","0.5","","Jantan, Khairil A.; McArdle, James M.; Mognon, Lorenzo; Fiorini, Valentina; Wilkinson, Luke A.; White, Andrew J. P.; Stagni, Stefano; Long, Nicholas J.; Wilton-Ely, James D. E. T.","Heteromultimetallic compounds based on polyfunctional carboxylate linkers","New Journal of Chemistry","2019","43","7","3199","","10.1039/C8NJ06455E","","","0.71073","MoKα","","0.1392","0.1","","","0.1755","0.1925","","","","","","1.212","","","","has coordinates","224883","2020-10-21","18:00:00",""
"7058122","31.201","0.003","9.4564","0.0008","13.5795","0.001","90","","93.036","0.007","90","","4001","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H72 N14 O28 Zn4 -","- C88 H72 N14 O28 Zn4 -","- C176 H144 N28 O56 Zn8 -","2","0.25","","Arici, Mürsel","Multifunctional luminescent coordination polymers based on tricarboxylic acid for the detection of 2,4-dinitrophenol and iron(iii) and aluminum(iii) ions","New Journal of Chemistry","2019","43","9","3690","","10.1039/C8NJ04046J","","","0.71073","MoKα","","0.1463","0.1383","","","0.2935","0.2967","","","","","","1.384","","","","has coordinates,has disorder","224893","2020-10-21","18:00:00",""
"7058123","14.947","0.0008","19.1821","0.001","14.0976","0.0008","90","","113.239","0.001","90","","3714.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-4-(2-naphthyl)pyridinium iodide, benzene solvate","","- C22 H20 I N -","- C22 H20 I N -","- C176 H160 I8 N8 -","8","2","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.0555","0.0334","","","0.0648","0.0698","","","","","","1.033","","","","has coordinates,has disorder","213309","2020-10-21","18:00:00",""
"7058124","8.1522","0.0008","9.6335","0.001","13.8091","0.0014","73.187","0.002","82.605","0.002","66.352","0.002","950.85","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-[4-(2-naphthyl)pyridinium-1-yl]propane-1-sulfonate,water solvate","","- C18 H25 N O7 S -","- C18 H25 N O7 S -","- C36 H50 N2 O14 S2 -","2","1","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.074","0.0465","","","0.1141","0.1225","","","","","","1.05","","","","has coordinates","213309","2020-10-21","18:00:00",""
"7058125","14.46","0.015","15.02","0.015","15.044","0.015","67.677","0.016","76.564","0.017","71.319","0.017","2840","5","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","complex between 3-[4-(2-naphthyl)pyridinium-1-yl]propane-1-sulfonateand cucurbit[8]uril, water solvate","","- C84 H139 N34 O50.5 S2 -","- C84 H82 N34 O50.5 S2 -","- C84 H82 N34 O50.5 S2 -","1","0.5","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.1751","0.0832","","","0.2236","0.2613","","","","","","0.913","","","","has coordinates,has disorder","213309","2020-10-21","18:00:00",""
"7058126","15.871","0.006","15.739","0.008","15.215","0.006","90","","98.826","0.004","90","","3756","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-butyl-4-(2-naphthyl)pyridinium iodide","","- C19 H20 I N -","- C19 H20 I N -","- C152 H160 I8 N8 -","8","1","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.2212","0.1318","","","0.3853","0.4247","","","","","","1.085","","","","has coordinates,has disorder","213309","2020-10-21","18:00:00",""
"7058127","8.2091","0.0003","9.6979","0.0004","13.7643","0.0005","72.984","0.001","84.057","0.001","65.762","0.001","955.28","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-[4-(2-naphthyl)pyridinium-1-yl]propane-1-sulfonate,benzene and water solvate","","- C21 H24 N O5 S -","- C21 H24 N O5 S -","- C42 H48 N2 O10 S2 -","2","1","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.0422","0.0373","","","0.1024","0.1053","","","","","","1.069","","","","has coordinates","213309","2020-10-21","18:00:00",""
"7058128","15.8562","0.0003","14.2979","0.0003","15.3748","0.0003","90","","102.969","0.002","90","","3396.71","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-butyl-4-(2-naphthyl)pyridinium iodide","","- C19 H20 I N -","- C19 H20 I N -","- C152 H160 I8 N8 -","8","2","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.0429","0.0298","","","0.0538","0.0584","","","","","","1.04","","","","has coordinates","213309","2020-10-21","18:00:00",""
"7058129","38.5719","0.0014","38.5719","0.0014","14.8762","0.0011","90","","90","","90","","22133","2","120","2","120","2","","","","","","","","5","I 41/a","-I 4ad","88","","complex between 3-[4-(2-naphthyl)pyridinium-1-yl]propane-1-sulfonateand cucurbit[8]uril, water solvate","","- C84 H113.4 N34 O37.7 S2 -","- C84 H82 N34 O37.7 S2 -","- C672 H656 N272 O301.6 S16 -","8","","","Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P.","Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities","New Journal of Chemistry","2019","","","","","10.1039/C8NJ04685A","","","0.71073","MoKα","","0.1936","0.1076","","","0.3069","0.3502","","","","","","1.107","","","","has coordinates,has disorder","213309","2020-10-21","18:00:00",""
"7058130","12.7736","0.0012","14.112","0.0014","12.1366","0.0012","90","","114.364","0.002","90","","1992.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Zn -","- C20 H17 N2 O8 Zn -","- C80 H68 N8 O32 Zn4 -","4","1","","Li, Li; Hua, Yang; Guo, Yu; Wang, Hai-Yu; Li, Xiao-Nan; Zhang, Hong","Bifunctional photo- and vapochromic behaviors of a novel porous zwitterionic metal‒organic framework","New Journal of Chemistry","2019","43","8","3428","","10.1039/C8NJ04905J","","","0.71073","MoKα","","0.0893","0.0524","","","0.119","0.1384","","","","","","1.034","","","","has coordinates","224754","2020-10-21","18:00:00",""
"7058131","13.1862","0.0007","22.503","0.0014","16.0608","0.001","90","","109.979","0.002","90","","4478.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H40 N3 O6 Tb -","- C53 H40 N3 O6 Tb -","- C212 H160 N12 O24 Tb4 -","4","1","","Hasan, Najmul; Iftikhar, Khalid","Syntheses, crystal structure and photophysical properties of [Sm(dbm)3(impy)] and [Tb(dbm)3(impy)] and their hybrid films","New Journal of Chemistry","2019","43","11","4391","","10.1039/C8NJ05045G","","","0.71073","MoKα","","0.0571","0.031","","","0.0525","0.0605","","","","","","1.065","","","","has coordinates","224981","2020-10-21","18:00:00",""
"7058132","13.1514","0.0018","22.502","0.003","16.201","0.003","90","","109.849","0.004","90","","4509.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H40 N3 O6 Sm -","- C53 H40 N3 O6 Sm -","- C212 H160 N12 O24 Sm4 -","4","1","","Hasan, Najmul; Iftikhar, Khalid","Syntheses, crystal structure and photophysical properties of [Sm(dbm)3(impy)] and [Tb(dbm)3(impy)] and their hybrid films","New Journal of Chemistry","2019","43","11","4391","","10.1039/C8NJ05045G","","","0.71073","MoKα","","0.0711","0.0362","","","0.0605","0.0724","","","","","","1.055","","","","has coordinates","224981","2020-10-21","18:00:00",""
"7058133","5.9854","0.0003","19.6802","0.0008","23.593","0.0016","90","","90","","90","","2779.1","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N4 O5 -","- C28 H37 N3 O6 -","- C112 H148 N12 O24 -","4","1","","Podder, Debasish; Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Haldar, Debasish","Tripeptide based super-organogelators: structure and function","New Journal of Chemistry","2019","43","9","3743","","10.1039/C8NJ05578E","","x-ray","0.71073","MoKα","","0.0688","0.0537","","","0.1437","0.1548","","","","","","0.987","","","","has coordinates","224891","2020-10-21","18:00:00",""
"7058134","8.9464","0.0003","6.8743","0.0002","9.9114","0.0003","90","","90.1","0.002","90","","609.55","0.03","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria","The first enantioselective strategy towards speciosins","New Journal of Chemistry","2019","43","9","3653","","10.1039/C8NJ06158K","","","1.54178","CuKα","","0.0605","0.0471","","","0.1093","0.1167","","","","","","1.123","","","","has coordinates,has disorder","224894","2020-10-21","18:00:00",""
"7058135","11.7907","0.0004","7.1668","0.0002","24.0105","0.0007","90","","98.472","0.002","90","","2006.79","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Dey, Debanjan; Banerjee, Priyabrata","Toxic organic solvent adsorption by a hydrophobic covalent polymer","New Journal of Chemistry","2019","43","9","3769","","10.1039/C8NJ06249H","","","0.71073","MoKα","","0.0614","0.0454","","","0.1152","0.1291","","","","","","1.021","","","","has coordinates","224892","2020-10-21","18:00:00",""
"7058136","13.445","0.0018","13.445","0.0018","29.702","0.008","90","","90","","120","","4649.8","1.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H84 N6 O7 Tb2 -","- C66 H84 N6 O7 Tb2 -","- C198 H252 N18 O21 Tb6 -","3","0.166667","","Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming","TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence","New Journal of Chemistry","2019","43","10","4067","","10.1039/C8NJ05777J","","","0.71073","MoKα","","0.095","0.0756","","","0.1906","0.2153","","","","","","1.06","","","","has coordinates","224692","2020-10-21","18:00:00",""
"7058137","13.2418","0.0005","14.0078","0.0006","20.9681","0.0005","90.264","0.003","104.938","0.003","117.541","0.004","3297.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H84 Cl N6 Ni2 O10 Tb -","- C66 H84 Cl N6 Ni2 O10 Tb -","- C132 H168 Cl2 N12 Ni4 O20 Tb2 -","2","1","","Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming","TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence","New Journal of Chemistry","2019","43","10","4067","","10.1039/C8NJ05777J","","","0.71073","MoKα","","0.0907","0.0557","","","0.1177","0.142","","","","","","1.081","","","","has coordinates","224692","2020-10-21","18:00:00",""
"7058138","7.904","0.0003","14.7738","0.0006","16.2199","0.0007","109.165","0.001","99.776","0.001","100.712","0.001","1702.65","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N3 O4 Tb -","- C36 H48 N3 O4 Tb -","- C72 H96 N6 O8 Tb2 -","2","1","","Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming","TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence","New Journal of Chemistry","2019","43","10","4067","","10.1039/C8NJ05777J","","","0.71073","MoKα","","0.0411","0.029","","","0.0579","0.0607","","","","","","1.009","","","","has coordinates","224692","2020-10-21","18:00:00",""
"7058139","13.1186","0.0016","14.117","0.0017","20.85","0.003","90.79","0.003","105.005","0.002","117.267","0.002","3275.6","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H84 Cl N6 O10 Tb Zn2 -","- C66 H84 Cl N6 O10 Tb Zn2 -","- C132 H168 Cl2 N12 O20 Tb2 Zn4 -","2","1","","Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming","TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence","New Journal of Chemistry","2019","43","10","4067","","10.1039/C8NJ05777J","","","0.71073","MoKα","","0.1478","0.0727","","","0.1059","0.1188","","","","","","1.058","","","","has coordinates","224692","2020-10-21","18:00:00",""
"7058140","11.412","0.002","16.497","0.003","20.917","0.004","90","","97.85","0.03","90","","3901","1.3","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 Ir N5 O2 P S2 -","- C46 H32 Ir N5 O2 P S2 -","- C184 H128 Ir4 N20 O8 P4 S8 -","4","1","","Yang, Jiali; Zhang, Fuli; Dong, Xiaobin; Yu, Bo; Zhang, Mengyang; Wei, Donghui; Li, Zhongyi; Wei, Bin; Zhang, Chi; Li, Suzhi; Cao, Guangxiu; Zhai, Bin","Synthesis, photophysical and electroluminescent properties of iridium(iii) complexes with 2-aryl-thiazole and oxadiazol-substituted amide derivative ligands","New Journal of Chemistry","2019","43","10","4272","","10.1039/C8NJ05370G","","","0.71073","MoKα","","0.0337","0.0315","","","0.0689","0.0701","","","","","","1.11","","","","has coordinates","224693","2020-10-21","18:00:00",""
"7058141","13.717","0.003","16.311","0.003","22.752","0.005","90","","90.71","0.03","90","","5090.1","1.8","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 Ir N5 O2 P S2 -","- C54 H35 Ir N5 O2 P S2 -","- C216 H140 Ir4 N20 O8 P4 S8 -","4","1","","Yang, Jiali; Zhang, Fuli; Dong, Xiaobin; Yu, Bo; Zhang, Mengyang; Wei, Donghui; Li, Zhongyi; Wei, Bin; Zhang, Chi; Li, Suzhi; Cao, Guangxiu; Zhai, Bin","Synthesis, photophysical and electroluminescent properties of iridium(iii) complexes with 2-aryl-thiazole and oxadiazol-substituted amide derivative ligands","New Journal of Chemistry","2019","43","10","4272","","10.1039/C8NJ05370G","","","0.71073","MoKα","","0.0479","0.0438","","","0.0957","0.098","","","","","","1.094","","","","has coordinates","224693","2020-10-21","18:00:00",""
"7058142","8.9073","0.0006","12.9124","0.0004","21.2304","0.0006","94.018","0.003","100.907","0.004","100.487","0.004","2343.79","0.19","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H76 Cl4 Co2 N16 O7 -","- C96 H74 Cl4 Co2 N16 O7 -","- C96 H74 Cl4 Co2 N16 O7 -","1","0.5","","Majee, Karunamay; Padhi, Sumanta Kumar","Ligand dechelation effect on a [Co(tpy)2]2+ scaffold towards electro-catalytic proton and water reduction","New Journal of Chemistry","2019","43","9","3856","","10.1039/C8NJ05712E","","x-ray","0.71073","MoKα","","0.0696","0.0695","","","0.2005","0.2006","","","","","","1.09","","","","has coordinates","224889","2020-10-21","18:00:00",""
"7058143","15.3224","0.0004","13.0117","0.0004","23.4808","0.0007","90","","94.188","0.003","90","","4668.9","0.2","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20.5 Br6 N2 O0.25 Te -","- C14 H20 Br6 N2 O0.25 Te -","- C112 H160 Br48 N16 O2 Te8 -","8","1","","Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.","Thermochromism of bromotellurates(iv): experimental insights","New Journal of Chemistry","2019","43","9","3927","","10.1039/C9NJ00320G","","x-ray","0.71073","MoKα","","0.0303","0.0274","","","0.0625","0.0632","","","","","","1.233","","","","has coordinates,has disorder","224887","2020-10-21","18:00:00",""
"7058144","7.6363","0.0005","11.3319","0.0007","14.046","0.001","95.738","0.005","93.775","0.005","103.128","0.005","1172.83","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 Br6 I2 N2 O2 Te -","- C10 H14 Br6 I2 N2 O2 Te -","- C20 H28 Br12 I4 N4 O4 Te2 -","2","1","","Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.","Thermochromism of bromotellurates(iv): experimental insights","New Journal of Chemistry","2019","43","9","3927","","10.1039/C9NJ00320G","","x-ray","0.71073","MoKα","","0.0428","0.0326","","","0.0631","0.0667","","","","","","0.998","","","","has coordinates","224887","2020-10-21","18:00:00",""
"7058145","7.3223","0.0005","8.3339","0.0006","9.0497","0.0006","74.694","0.006","70.263","0.005","83.031","0.006","501.05","0.06","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br6 Cl2 N2 Te -","- C10 H10 Br6 Cl2 N2 Te -","- C10 H10 Br6 Cl2 N2 Te -","1","0.5","","Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.","Thermochromism of bromotellurates(iv): experimental insights","New Journal of Chemistry","2019","43","9","3927","","10.1039/C9NJ00320G","","x-ray","0.71073","MoKα","","0.0427","0.0352","","","0.0741","0.0783","","","","","","1.04","","","","has coordinates","224887","2020-10-21","18:00:00",""
"7058146","8.6178","0.0004","12.9085","0.0006","10.8436","0.0005","90","","98.779","0.004","90","","1192.14","0.1","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br6 Cl4 N2 O2 Te -","- C10 H12 Br6 Cl4 N2 O2 Te -","- C20 H24 Br12 Cl8 N4 O4 Te2 -","2","0.5","","Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.","Thermochromism of bromotellurates(iv): experimental insights","New Journal of Chemistry","2019","43","9","3927","","10.1039/C9NJ00320G","","x-ray","0.71073","MoKα","","0.0352","0.0274","","","0.0508","0.0527","","","","","","1.027","","","","has coordinates","224887","2020-10-21","18:00:00",""
"7058147","9.7234","0.0005","11.0724","0.0005","12.1082","0.0007","90","","109.028","0.006","90","","1232.36","0.12","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br8 N2 O2 Te -","- C12 H18 Br8 N2 O2 Te -","- C24 H36 Br16 N4 O4 Te2 -","2","0.5","","Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.","Thermochromism of bromotellurates(iv): experimental insights","New Journal of Chemistry","2019","43","9","3927","","10.1039/C9NJ00320G","","x-ray","0.71073","MoKα","","0.0399","0.0281","","","0.0429","0.046","","","","","","0.972","","","","has coordinates","224887","2020-10-21","18:00:00",""
"7058148","18.8798","0.0013","18.969","0.0012","20.2269","0.0015","114.305","0.005","110.247","0.005","90.152","0.005","6104.1","0.8","203","2","203","2","","","","","","","","2","P -1","-P 1","2","","","","- C117 H88 -","- C117 H88 -","- C234 H176 -","2","1","","Xia, Debin; Duan, Chunbo; Liu, Shihui; Ding, Dongxue; Baumgarten, Martin; Wagner, Manfred; Schollmeyer, Dieter; Xu, Hui; Müllen, Klaus","Oligofluorene with multiple spiro-connections: its and their use in blue and white OLEDs","New Journal of Chemistry","2019","43","9","3788","","10.1039/C8NJ06135A","","","0.71069","MoKα","","0.2521","0.1122","","","0.2794","0.3632","","","","","","0.899","","","","has coordinates","224888","2020-10-21","18:00:00",""
"7058149","27.683","0.003","18.147","0.002","13.1612","0.0014","90","","90.297","0.004","90","","6611.6","1.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H71 N18 O12 Zn5 -","- C57 H71 N18 O12 Zn5 -","- C228 H284 N72 O48 Zn20 -","4","0.5","","Karmakar, Mainak; Basak, Tanmoy; Chattopadhyay, Shouvik","Phosphatase-mimicking activity of a unique penta-nuclear zinc(ii) complex with a reduced Schiff base ligand: assessment of its ability to sense nitroaromatics","New Journal of Chemistry","2019","43","11","4432","","10.1039/C8NJ06549G","","","0.71073","MoKα","","0.1054","0.0707","","","0.2009","0.22","","","","","","1.064","","","","has coordinates","224979","2020-10-21","18:00:00",""
"7058150","13.88","","13.88","","45.438","","90","","90","","90","","8753.83","","293.15","","293.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C25 H27 Co2 N5 O11.34 -","- C25 H27 Co2 N5 O11.343 -","- C200 H216 Co16 N40 O90.744 -","8","1","","Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping","Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions","New Journal of Chemistry","2019","43","10","4226","","10.1039/C8NJ05139A","","","0.71073","MoKα","","0.1013","0.0684","","","0.1569","0.1765","","","","","","1.018","","","","has coordinates","224690","2020-10-21","18:00:00",""
"7058151","22.5444","0.0004","22.5444","0.0004","22.5444","0.0004","90","","90","","90","","11458.2","0.4","273","2","273","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C124 H202 Mn13 N20 O104 -","- C120 H101.999 Mn13 N18 O73.9996 -","- C240 H203.998 Mn26 N36 O147.999 -","2","0.0833333","","Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping","Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions","New Journal of Chemistry","2019","43","10","4226","","10.1039/C8NJ05139A","","","0.71073","MoKα","","0.0628","0.0487","","","0.114","0.123","","","","","","1.056","","","","has coordinates,has disorder","224690","2020-10-21","18:00:00",""
"7058152","22.848","0.001","22.848","0.001","20.33","0.002","90","","90","","120","","9191","1.1","170.15","","170.15","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C52 H37 N7 O30 Zn6 -","- C52 H37 N7 O30 Zn6 -","- C156 H111 N21 O90 Zn18 -","3","0.5","","Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping","Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions","New Journal of Chemistry","2019","43","10","4226","","10.1039/C8NJ05139A","","","0.71073","MoKα","","0.0861","0.0644","","","0.1564","0.1749","","","","","","1.026","","","","has coordinates,has disorder","224690","2020-10-21","18:00:00",""
"7058153","12.2671","0.0005","18.157","0.0008","15.9123","0.0007","90","","96.146","0.002","90","","3523.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N5 -","- C21 H21 N5 -","- C168 H168 N40 -","8","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Rajesham, Bandari; Rambabu, D.","Four-component, three-step cascade reaction: an effective synthesis of indazole-fused triazolo[5,1-c]quinoxalines","New Journal of Chemistry","2019","43","11","4333","","10.1039/C8NJ06299D","","","0.71073","MoKα","","0.0842","0.0633","","","0.1532","0.1666","","","","","","1.069","","","","has coordinates","224978","2020-10-21","18:00:00",""
"7058154","11.3107","0.0008","12.1874","0.0008","16.3416","0.0011","93.122","0.002","106.817","0.002","107.096","0.002","2036.9","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H33 Cl Cu F3 Fe N4 O4 P2 -","- C42 H33 Cl Cu F3 Fe N4 O4 P2 -","- C84 H66 Cl2 Cu2 F6 Fe2 N8 O8 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0711","0.048","","","0.1112","0.1281","","","","","","1.036","","","","has coordinates,has disorder","224691","2020-10-21","18:00:00",""
"7058155","11.0101","0.0006","11.7274","0.0006","15.4169","0.0008","82.951","0.001","72.216","0.001","84.285","0.001","1877.11","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H34 Cu F3 Fe N4 O P2 -","- C42 H34 Cu F3 Fe N4 O P2 -","- C84 H68 Cu2 F6 Fe2 N8 O2 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0402","0.0309","","","0.0751","0.0803","","","","","","1.036","","","","has coordinates","224691","2020-10-21","18:00:00",""
"7058156","14.662","0.0009","17.0542","0.0011","17.7433","0.0011","90","","95.218","0.002","90","","4418.3","0.5","194","2","194","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Cl3 Cu F3 Fe N4 O4 P2 -","- C44 H37 Cl3 Cu F3 Fe N4 O4 P2 -","- C176 H148 Cl12 Cu4 F12 Fe4 N16 O16 P8 -","4","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0991","0.0634","","","0.1616","0.1821","","","","","","1.067","","","","has coordinates","224691","2020-10-21","18:00:00",""
"7058157","11.634","0.0018","14.542","0.002","15.262","0.002","63.638","0.003","67.654","0.003","87.745","0.004","2113.5","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cu F3 Fe N4 P2 -","- C43 H34 Cu F3 Fe N4 P2 -","- C86 H68 Cu2 F6 Fe2 N8 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0778","0.0531","","","0.1283","0.1469","","","","","","1.056","","","","has coordinates,has disorder","224691","2020-10-21","18:00:00",""
"7058158","12.7414","0.0007","18.5376","0.0009","17.228","0.0008","90","","92.178","0.001","90","","4066.2","0.4","194","2","194.01","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl Cu F3 Fe N4 O4 P2 -","- C43 H35 Cl Cu F3 Fe N4 O4 P2 -","- C172 H140 Cl4 Cu4 F12 Fe4 N16 O16 P8 -","4","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0619","0.046","","","0.1083","0.1206","","","","","","1.073","","","","has coordinates,has disorder","224691","2020-10-21","18:00:00",""
"7058159","12.3724","0.001","12.4276","0.0011","14.3099","0.0012","89.666","0.002","72.705","0.002","70.89","0.002","1974.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cu F3 Fe N4 P2 -","- C43 H34 Cu F3 Fe N4 P2 -","- C86 H68 Cu2 F6 Fe2 N8 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0671","0.0446","","","0.1098","0.128","","","","","","1.035","","","","has coordinates,has disorder","224691","2020-10-21","18:00:00",""
"7058160","12.2325","0.0007","12.7959","0.0007","16.1249","0.0009","79.572","0.002","68.821","0.001","78.86","0.001","2292","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H44 Cl3 Cu Fe N4 O4 P2 -","- C46 H44 Cl3 Cu Fe N4 O4 P2 -","- C92 H88 Cl6 Cu2 Fe2 N8 O8 P4 -","2","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Ganesan, Paramaguru; He, Li-Hua; Liao, Jin-Sheng; Liu, Sui-Jun; Wen, He-Rui; Zhao, Feng; Chi, Yun","Heterobimetallic copper(i) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole","New Journal of Chemistry","2019","43","10","4261","","10.1039/C8NJ05924A","","","0.71073","MoKα","","0.0814","0.053","","","0.1154","0.1331","","","","","","1.042","","","","has coordinates","224691","2020-10-21","18:00:00",""
"7058161","15.031","0.003","20.228","0.003","7.1314","0.0009","90","","103.038","0.006","90","","2112.4","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N6 O6 Pd -","- C24 H16 N6 O6 Pd -","- C96 H64 N24 O24 Pd4 -","4","0.5","","İnci, Duygu; Aydın, Rahmiye; Vatan, Özgür; Şahin, Onur; Çinkılıç, Nilüfer","Water-soluble binary and ternary palladium(ıı) complexes containing amino acids and intercalating ligands: synthesis, characterization, biomolecular interactions and cytotoxicities","New Journal of Chemistry","2019","43","12","4681","","10.1039/C8NJ05934A","","","0.71073","MoKα","","0.0375","0.0346","","","0.0821","0.0849","","","","","","1.135","","","","has coordinates","224996","2020-10-21","18:00:00",""
"7058162","9.6375","0.0019","22.698","0.005","10.034","0.002","90","","106.171","0.006","90","","2108.1","0.8","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O7 Pd -","- C21 H20 N4 O7 Pd -","- C84 H80 N16 O28 Pd4 -","4","1","","İnci, Duygu; Aydın, Rahmiye; Vatan, Özgür; Şahin, Onur; Çinkılıç, Nilüfer","Water-soluble binary and ternary palladium(ıı) complexes containing amino acids and intercalating ligands: synthesis, characterization, biomolecular interactions and cytotoxicities","New Journal of Chemistry","2019","43","12","4681","","10.1039/C8NJ05934A","","","0.71073","MoKα","","0.0745","0.0635","","","0.1233","0.1282","","","","","","1.217","","","","has coordinates,has disorder","224996","2020-10-21","18:00:00",""
"7058163","9.1744","0.0002","23.9422","0.0005","16.3375","0.0004","90","","91.446","0.002","90","","3587.48","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C21 H18 F N3 O -","- C21 H18 F N3 O -","- C168 H144 F8 N24 O8 -","8","4","","Chen, Yuan; Fuyue, Liuting; Wang, Gangqiang; Wang, Hang; Lu, Chun; Guo, Haibing; St. Amant, Chiara; Sun, Shaofa; Xing, Yalan","Synthesis of 1,2,4-oxadiazolidines via [3+2] cycloaddition of nitrones with carbodiimides","New Journal of Chemistry","2019","43","11","4329","","10.1039/C9NJ00030E","","x-ray","1.54184","CuKα","","0.1358","0.1235","","","0.164","0.2295","","","","","","1.007","","","","has coordinates","224975","2020-10-21","18:00:00",""
"7058164","7.9101","0.0001","25.8295","0.0004","18.55","0.0003","90","","90.279","0.002","90","","3789.98","0.1","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1","","- C44 H42 N6 O2 -","- C44 H42 N6 O2 -","- C176 H168 N24 O8 -","4","1","","Chen, Yuan; Fuyue, Liuting; Wang, Gangqiang; Wang, Hang; Lu, Chun; Guo, Haibing; St. Amant, Chiara; Sun, Shaofa; Xing, Yalan","Synthesis of 1,2,4-oxadiazolidines via [3+2] cycloaddition of nitrones with carbodiimides","New Journal of Chemistry","2019","43","11","4329","","10.1039/C9NJ00030E","","x-ray","1.54184","CuKα","","0.0632","0.0514","","","0.1347","0.1468","","","","","","1.031","","","","has coordinates","224975","2020-10-21","18:00:00",""
"7058165","8.4917","0.0009","10.9196","0.0011","20.148","0.002","80.996","0.003","83.209","0.003","76.283","0.003","1786.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H37 B F2 N2 -","- C47 H37 B F2 N2 -","- C94 H74 B2 F4 N4 -","2","1","","Nar, Ilgın; Atsay, Armağan; Buyruk, Ali; Pekbelgin Karaoğlu, Hande; Burat, Ayfer Kalkan; Hamuryudan, Esin","BODIPY‒ortho-carborane‒tetraphenylethylene triad: synthesis, characterization, and properties","New Journal of Chemistry","2019","43","11","4471","","10.1039/C9NJ00177H","","","0.71073","MoKα","","0.0977","0.0596","","","0.1294","0.1453","","","","","","1.034","","","","has coordinates","224982","2020-10-21","18:00:00",""
"7058166","13.4097","0.0011","13.5319","0.0011","14.5334","0.0012","63.934","0.002","80.524","0.002","89.72","0.002","2329.9","0.3","121","2","121","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H55 B11 F2 N2 O2 -","- C49 H55 B11 F2 N2 O2 -","- C98 H110 B22 F4 N4 O4 -","2","1","","Nar, Ilgın; Atsay, Armağan; Buyruk, Ali; Pekbelgin Karaoğlu, Hande; Burat, Ayfer Kalkan; Hamuryudan, Esin","BODIPY‒ortho-carborane‒tetraphenylethylene triad: synthesis, characterization, and properties","New Journal of Chemistry","2019","43","11","4471","","10.1039/C9NJ00177H","","","0.71073","MoKα","","0.1114","0.061","","","0.1195","0.1366","","","","","","1.061","","","","has coordinates","224982","2020-10-21","18:00:00",""
"7058167","16.945","0.0018","9.0878","0.0009","7.0912","0.0007","90","","109.43","0.003","90","","1029.8","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DDT-Na","Sodium 2,5-ditetrazolyl-1,3,4-triazolate hydrate","","- C4 H6 N11 Na O2 -","- C4 H6 N11 Na O2 -","- C16 H24 N44 Na4 O8 -","4","0.5","","Wu, Le; He, Piao; Li, Zhimin; Wang, Qianyou; Yang, Junqing; Sinditskii, Valery P.; Zhang, Jian-Guo","Synthesis of 3,5-ditetrazolyl-1,2,4-triazole-based complexes: a strategy for developing C‒N-linked triheterocyclic energetic compounds","New Journal of Chemistry","2019","43","12","4975","","10.1039/C8NJ06556J","","","0.71073","MoKα","","0.0452","0.0383","","","0.1013","0.1073","","","","","","1.038","","","","has coordinates","224998","2020-10-21","18:00:00",""
"7058168","15.3171","0.0015","9.5994","0.0009","7.9409","0.0008","90","","108.362","0.002","90","","1108.14","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium 2,5-ditetrazolyl-1,3,4-triazolate hydrate","","- C4 H2 K N11 O2 -","- C4 H2 K N11 O2 -","- C16 H8 K4 N44 O8 -","4","0.5","","Wu, Le; He, Piao; Li, Zhimin; Wang, Qianyou; Yang, Junqing; Sinditskii, Valery P.; Zhang, Jian-Guo","Synthesis of 3,5-ditetrazolyl-1,2,4-triazole-based complexes: a strategy for developing C‒N-linked triheterocyclic energetic compounds","New Journal of Chemistry","2019","43","12","4975","","10.1039/C8NJ06556J","","","0.71073","MoKα","","0.0616","0.0468","","","0.1237","0.1345","","","","","","1.056","","","","has coordinates","224998","2020-10-21","18:00:00",""
"7058169","8.6991","0.0003","11.5638","0.0004","11.4461","0.0004","90","","110.945","0.004","90","","1075.34","0.07","150","2","149.97","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Fe O2 -","- C13 H12 Fe O2 -","- C52 H48 Fe4 O8 -","4","1","","Singh, Amita; Kociok-Köhn, Gabriele; Trivedi, Manoj; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.; Terashima, Chiaki; Fujishima, Akira","Ferrocenylethenyl-substituted oxadiazoles with phenolic and nitro anchors as sensitizers in dye sensitized solar cells","New Journal of Chemistry","2019","43","12","4745","","10.1039/C8NJ06242K","","x-ray","0.71073","MoKα","","0.0408","0.0349","","","0.077","0.0806","","","","","","1.036","","","","has coordinates","224994","2020-10-21","18:00:00",""
"7058170","5.9928","0.0003","8.561","0.0005","37.157","0.003","90","","91.337","0.005","90","","1905.8","0.2","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Fe N5 O4 -","- C22 H15 Fe N5 O4 -","- C88 H60 Fe4 N20 O16 -","4","1","","Singh, Amita; Kociok-Köhn, Gabriele; Trivedi, Manoj; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.; Terashima, Chiaki; Fujishima, Akira","Ferrocenylethenyl-substituted oxadiazoles with phenolic and nitro anchors as sensitizers in dye sensitized solar cells","New Journal of Chemistry","2019","43","12","4745","","10.1039/C8NJ06242K","","x-ray","1.54184","CuKα","","0.1297","0.0939","","","0.2041","0.228","","","","","","1.104","","","","has coordinates,has disorder","224994","2020-10-21","18:00:00",""
"7058171","15.7572","0.0009","16.4079","0.0009","16.4852","0.0009","90.038","0.002","104.887","0.002","97.172","0.002","4084.5","0.4","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 N4 O13 Zn3 -","- C39 H36 Cl2 N4 O13 Zn3 -","- C156 H144 Cl8 N16 O52 Zn12 -","4","2","","Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui","Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties","New Journal of Chemistry","2019","43","11","4605","","10.1039/C9NJ00014C","","","0.71073","MoKα","","0.0691","0.0483","","","0.1233","0.1347","","","","","","1.016","","","","has coordinates,has disorder","224983","2020-10-21","18:00:00",""
"7058172","16.8229","0.0009","23.2495","0.0012","24.2036","0.0014","90","","108.673","0.002","90","","8968.3","0.9","153.15","","153.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H68 Cl6 N11 O28 Sm Zn4 -","- C74 H68 Cl6 N11 O28 Sm Zn4 -","- C296 H272 Cl24 N44 O112 Sm4 Zn16 -","4","0.5","","Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui","Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties","New Journal of Chemistry","2019","43","11","4605","","10.1039/C9NJ00014C","","","0.71073","MoKα","","0.0714","0.0501","","","0.1291","0.1411","","","","","","1.066","","","","has coordinates,has disorder","224983","2020-10-21","18:00:00",""
"7058173","16.8834","0.0009","23.1409","0.0012","24.3047","0.0012","90","","108.679","0.002","90","","8995.6","0.8","153.15","","153.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H72 Cl6 Eu N11 O28 Zn4 -","- C76 H72 Cl6 Eu N11 O28 Zn4 -","- C304 H288 Cl24 Eu4 N44 O112 Zn16 -","4","0.5","","Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui","Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties","New Journal of Chemistry","2019","43","11","4605","","10.1039/C9NJ00014C","","","0.71073","MoKα","","0.0837","0.0528","","","0.1213","0.1342","","","","","","1.053","","","","has coordinates,has disorder","224983","2020-10-21","18:00:00",""
"7058174","13.542","0.003","28.886","0.007","19.183","0.004","90","","96.675","0.004","90","","7453","3","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 N11 O28 Tb Zn4 -","- C74 H70 N11 O28 Tb Zn4 -","- C296 H280 N44 O112 Tb4 Zn16 -","4","1","","Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui","Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties","New Journal of Chemistry","2019","43","11","4605","","10.1039/C9NJ00014C","","","0.71073","MoKα","","0.1249","0.0877","","","0.2247","0.266","","","","","","1.059","","","","has coordinates,has disorder","224983","2020-10-21","18:00:00",""
"7058175","16.9752","0.0018","23.09","0.002","24.837","0.003","90","","111.3","0.002","90","","9070.1","1.7","153.15","","153.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H72 Cl6 Gd N11 O28 Zn4 -","- C76 H72 Cl6 Gd N11 O28 Zn4 -","- C304 H288 Cl24 Gd4 N44 O112 Zn16 -","4","0.5","","Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui","Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties","New Journal of Chemistry","2019","43","11","4605","","10.1039/C9NJ00014C","","","0.71073","MoKα","","0.1328","0.0846","","","0.1698","0.1923","","","","","","1.115","","","","has coordinates,has disorder","224983","2020-10-21","18:00:00",""
"7058176","16.9466","0.0009","23.0127","0.0012","24.9394","0.0015","90","","111.278","0.002","90","","9063","0.9","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H72 Cl6 Dy N11 O28 Zn4 -","- C76 H72 Cl6 Dy N11 O28 Zn4 -","- C304 H288 Cl24 Dy4 N44 O112 Zn16 -","4","0.5","","Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui","Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties","New Journal of Chemistry","2019","43","11","4605","","10.1039/C9NJ00014C","","","0.71073","MoKα","","0.0744","0.0492","","","0.1196","0.1298","","","","","","1.049","","","","has coordinates,has disorder","224983","2020-10-21","18:00:00",""
"7058177","29.03","0.02","18.12","0.011","14.06","0.01","90","","113.699","0.014","90","","6772","8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe2 N3 O11 -","- C18 H19 Fe2 N3 O11 -","- C144 H152 Fe16 N24 O88 -","8","1","","Kumar, Sushil; Arora, Aayushi; Kaushal, Jolly; Oswal, Preeti; Kumar, Arun; Tomar, Kapil","Room temperature synthesis of an Fe(ii)-based porous MOF with multiple open metal sites for high gas adsorption properties","New Journal of Chemistry","2019","43","11","4338","","10.1039/C8NJ05782F","","","0.71073","MoKα","","0.1096","0.0694","","","0.182","0.2112","","","","","","0.97","","","","has coordinates","224976","2020-10-21","18:00:00",""
"7058178","11.6825","0.0007","11.2969","0.0005","11.8091","0.0008","90","","110.399","0.007","90","","1460.78","0.16","293","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.","Intertwined gababutin-based supramolecular double helix","New Journal of Chemistry","2019","43","12","4830","","10.1039/C8NJ05009K","","","0.71073","MoKα","","0.0943","0.0629","","","0.1637","0.1902","","","","","","1.056","","","","has coordinates","224993","2020-10-21","18:00:00",""
"7058179","9.4628","0.0015","10.1211","0.0016","10.7468","0.0017","90","","108.784","0.004","90","","974.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C1.78947 H3.15789 N0.210526 O0.526316 -","- C34 H60 N4 O10 -","19","9.5","","Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.","Intertwined gababutin-based supramolecular double helix","New Journal of Chemistry","2019","43","12","4830","","10.1039/C8NJ05009K","","","0.71073","MoKα","","0.0546","0.0457","","","0.1287","0.1377","","","","","","1.004","","","","has coordinates","224993","2020-10-21","18:00:00",""
"7058180","10.2051","0.0002","12.0183","0.0003","19.9352","0.0004","90","","90","","90","","2445.01","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11.27 N0.73 O2.18 -","- C8 H11.2727 N0.727273 O2.18182 -","- C88 H124 N8 O24 -","11","2.75","","Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.","Intertwined gababutin-based supramolecular double helix","New Journal of Chemistry","2019","43","12","4830","","10.1039/C8NJ05009K","","","1.5418","CuKα","","0.0458","0.0438","","","0.1234","0.1287","","","","","","1.07","","","","has coordinates","224993","2020-10-21","18:00:00",""
"7058181","6.49204","0.00013","18.1324","0.0003","10.4567","0.0002","90","","99.4564","0.0019","90","","1214.2","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C52 H36 N4 O20 Zn4 -","4","1","","An, Fengqin; Zhang, Chengcheng; Duan, Lijuan; Liu, Xiangyu; Wang, Zheng; Jin, Xiaoyong; Song, Weiming","Luminescent metal‒organic frameworks with a 2-(4-pyridyl)-terephthalic acid ligand for detection of acetone","New Journal of Chemistry","2019","43","12","4800","","10.1039/C9NJ00021F","","x-ray","1.54184","CuKα","","0.0379","0.0366","","","0.0984","0.0996","","","","","","1.084","","","","has coordinates","224990","2020-10-21","18:00:00",""
"7058182","8.3739","0.0005","6.8579","0.0004","21.1309","0.0013","90","","94.969","0.001","90","","1208.93","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cd N O5 -","- C13 H9 Cd N O5 -","- C52 H36 Cd4 N4 O20 -","4","1","","An, Fengqin; Zhang, Chengcheng; Duan, Lijuan; Liu, Xiangyu; Wang, Zheng; Jin, Xiaoyong; Song, Weiming","Luminescent metal‒organic frameworks with a 2-(4-pyridyl)-terephthalic acid ligand for detection of acetone","New Journal of Chemistry","2019","43","12","4800","","10.1039/C9NJ00021F","","","0.71073","MoKα","","0.024","0.0197","","","0.0445","0.0462","","","","","","1.054","","","","has coordinates","224990","2020-10-21","18:00:00",""
"7058183","21.9306","0.0017","8.0884","0.0002","17.009","0.002","90","","124.77","0.013","90","","2478.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C104 H72 N8 O40 Zn8 -","8","1","","An, Fengqin; Zhang, Chengcheng; Duan, Lijuan; Liu, Xiangyu; Wang, Zheng; Jin, Xiaoyong; Song, Weiming","Luminescent metal‒organic frameworks with a 2-(4-pyridyl)-terephthalic acid ligand for detection of acetone","New Journal of Chemistry","2019","43","12","4800","","10.1039/C9NJ00021F","","","1.54178","CuKα","","0.0418","0.0401","","","0.1128","0.1142","","","","","","1.064","","","","has coordinates","224990","2020-10-21","18:00:00",""
"7058184","13.564","0.002","22.418","0.004","22.576","0.003","90","","94.043","0.008","90","","6847.8","1.8","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 N6 O4 -","- C78 H90 N6 O4 -","- C312 H360 N24 O16 -","4","1","","Gorbunov, Alexander; Kuznetsova, Julia; Puchnin, Kirill; Kovalev, Vladimir; Vatsouro, Ivan","Triazolated calix[4]arenes from 2-azidoethylated precursors: is there a difference in the way the triazoles are attached to narrow rims?","New Journal of Chemistry","2019","43","11","4562","","10.1039/C8NJ06464D","","x-ray","1.54178","CuKα","","0.0951","0.0539","","","0.137","0.165","","","","","","1.062","","","","has coordinates,has disorder","224980","2020-10-21","18:00:00",""
"7058185","8.2802","0.0003","16.2564","0.0006","14.4338","0.0005","90","","95.388","0.001","90","","1934.3","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Fe O P -","- C24 H21 Fe O P -","- C96 H84 Fe4 O4 P4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0305","0.0262","","","0.0647","0.0671","","","","","","1.043","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058186","9.6869","0.0002","11.1888","0.0003","18.9142","0.0004","100.488","0.001","96.476","0.001","106.49","0.001","1903.22","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H45 F6 Fe N O3 P2 Pd -","- C38 H45 F6 Fe N O3 P2 Pd -","- C76 H90 F12 Fe2 N2 O6 P4 Pd2 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0308","0.0263","","","0.0656","0.068","","","","","","1.051","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058187","9.1991","0.0003","11.0936","0.0003","12.7081","0.0004","105.008","0.001","101.069","0.001","108.047","0.001","1137.49","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl6 Fe2 O2 P2 Pd -","- C48 H42 Cl6 Fe2 O2 P2 Pd -","- C48 H42 Cl6 Fe2 O2 P2 Pd -","1","0.5","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0224","0.0198","","","0.047","0.0482","","","","","","1.027","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058188","22.4994","0.0012","12.4875","0.0007","17.1165","0.0009","90","","111.986","0.002","90","","4459.3","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Cl2 Fe2 O2 P2 Pd -","- C50 H50 Cl2 Fe2 O2 P2 Pd -","- C200 H200 Cl8 Fe8 O8 P8 Pd4 -","4","0.5","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0292","0.0266","","","0.0656","0.0676","","","","","","1.054","","","","has coordinates,has disorder","224977","2020-10-21","18:00:00",""
"7058189","10.9962","0.0004","15.7529","0.0006","13.3059","0.0005","90","","98.934","0.002","90","","2276.91","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl4 Fe2 P2 Pd2 -","- C50 H46 Cl4 Fe2 P2 Pd2 -","- C100 H92 Cl8 Fe4 P4 Pd4 -","2","0.5","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0429","0.0297","","","0.0703","0.0775","","","","","","1.036","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058190","15.956","0.0005","13.0167","0.0003","15.0075","0.0004","90","","90","","90","","3116.97","0.15","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H31 F6 Fe N O P2 Pd -","- C32 H31 F6 Fe N O P2 Pd -","- C128 H124 F24 Fe4 N4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0521","0.0362","","","0.0734","0.0795","","","","","","1.025","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058191","9.097","0.0003","11.4967","0.0004","11.5044","0.0004","69.772","0.001","68.278","0.001","84.575","0.001","1048.05","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Fe2 O2 P2 Pd -","- C48 H42 Cl2 Fe2 O2 P2 Pd -","- C48 H42 Cl2 Fe2 O2 P2 Pd -","1","0.5","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0359","0.0264","","","0.051","0.0543","","","","","","1.024","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058192","14.6498","0.0003","9.3791","0.0002","18.883","0.0003","90","","92.328","0.001","90","","2592.42","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl10 Fe2 O2 P2 Pd2 -","- C48 H40 Cl10 Fe2 O2 P2 Pd2 -","- C96 H80 Cl20 Fe4 O4 P4 Pd4 -","2","0.5","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0215","0.0187","","","0.0441","0.0452","","","","","","1.026","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058193","10.5038","0.0003","16.8039","0.0006","22.1244","0.0006","68.4133","0.0014","79.3192","0.001","71.842","0.0011","3439.28","0.19","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C33.25 H33.25 Cl0.75 F6 Fe N O P Pd Sb -","- C33 H33 F6 Fe N O P Pd Sb -","- C132 H132 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","4","2","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0654","0.0427","","","0.0705","0.0753","","","","","","1.027","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058194","9.3431","0.0003","13.4139","0.0004","20.0647","0.0006","73.5577","0.0011","88.5641","0.0012","88.4939","0.0012","2410.58","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H43 Cl7 Fe2 O2 P2 Pd2 -","- C49 H43 Cl7 Fe2 O2 P2 Pd2 -","- C98 H86 Cl14 Fe4 O4 P4 Pd4 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0414","0.0349","","","0.084","0.0877","","","","","","1.023","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058195","7.3393","0.0006","13.1519","0.0018","21.8069","0.0018","90","","90","","90","","2104.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Fe N4 O6 -","- C20 H27 Fe N4 O6 -","- C80 H108 Fe4 N16 O24 -","4","1","","Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan","Ion-pair complexes of Schiff base Fe(iii) cations and complex anions","New Journal of Chemistry","2019","43","12","4937","","10.1039/C9NJ00192A","","","0.71073","MoKα","","0.0797","0.0489","","","0.1063","0.1141","","","","","","0.981","","","","has coordinates,has disorder","224991","2020-10-21","18:00:00",""
"7058196","11.2435","0.0006","13.6516","0.0007","14.4148","0.0006","96.464","0.004","106.508","0.004","93.24","0.004","2098.75","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H88 Cr2 Fe2 N12 O17 -","- C92 H88 Cr2 Fe2 N12 O17 -","- C92 H88 Cr2 Fe2 N12 O17 -","1","0.5","","Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan","Ion-pair complexes of Schiff base Fe(iii) cations and complex anions","New Journal of Chemistry","2019","43","12","4937","","10.1039/C9NJ00192A","","","0.71073","MoKα","","0.1154","0.0562","","","0.1212","0.1356","","","","","","0.994","","","","has coordinates,has disorder","224991","2020-10-21","18:00:00",""
"7058197","12.8506","0.0006","12.7677","0.0006","14.4195","0.0008","90","","90","","90","","2365.8","0.2","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C22 H24 Ag Fe N6 O4 -","- C22 H24 Ag Fe N6 O4 -","- C88 H96 Ag4 Fe4 N24 O16 -","4","0.5","","Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan","Ion-pair complexes of Schiff base Fe(iii) cations and complex anions","New Journal of Chemistry","2019","43","12","4937","","10.1039/C9NJ00192A","","","0.71073","MoKα","","0.021","0.0175","","","0.0429","0.0436","","","","","","1.092","","","","has coordinates","224991","2020-10-21","18:00:00",""
"7058198","11.2605","0.0007","13.5063","0.0008","14.1826","0.0009","97.156","0.005","106.096","0.005","92.685","0.005","2048.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 Co Fe N6 O9 -","- C46 H44 Co Fe N6 O9 -","- C92 H88 Co2 Fe2 N12 O18 -","2","1","","Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan","Ion-pair complexes of Schiff base Fe(iii) cations and complex anions","New Journal of Chemistry","2019","43","12","4937","","10.1039/C9NJ00192A","","","0.71073","MoKα","","0.0622","0.037","","","0.0853","0.0911","","","","","","0.93","","","","has coordinates,has disorder","224991","2020-10-21","18:00:00",""
"7058199","11.1071","0.0006","8.2385","0.0004","19.1755","0.0009","90","","90","","90","","1754.67","0.15","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10.5 H8 Cl O -","- C10.5 H8 Cl O -","- C84 H64 Cl8 O8 -","8","1","","Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao","SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents","New Journal of Chemistry","2019","43","12","4669","","10.1039/C8NJ06444J","","","1.54178","CuKα","","0.082","0.0729","","","0.1888","0.2022","","","","","","1.121","","","","has coordinates","225000","2020-10-21","18:00:00",""
"7058200","8.029","0.002","21.258","0.005","11.349","0.003","90","","101.66","0.019","90","","1897.1","0.8","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","1","","Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao","SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents","New Journal of Chemistry","2019","43","12","4669","","10.1039/C8NJ06444J","","","1.54178","CuKα","","0.0712","0.0588","","","0.1552","0.1659","","","","","","1.049","","","","has coordinates,has disorder","225000","2020-10-21","18:00:00",""
"7058201","13.785","0.003","17.746","0.003","16.689","0.003","90","","101.306","0.004","90","","4003.4","1.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Cu4 N6 O21 -","- C32 H44 Cu4 N6 O21 -","- C128 H176 Cu16 N24 O84 -","4","0.5","","Gao, Wei-Song; Wang, Jin-Miao; Shi, Ning-Ning; Chen, Chang-Neng; Fan, Yu-Hua; Wang, Mei","Electrocatalytic water oxidation studies of a tetranuclear Cu(ii) complex with cubane-like core Cu4(μ3-O)4","New Journal of Chemistry","2019","43","11","4640","","10.1039/C8NJ06263C","","","0.71073","MoKα","","0.0361","0.0282","","","0.0731","0.0764","","","","","","1.05","","","","has coordinates,has disorder","224984","2020-10-21","18:00:00",""
"7058202","8.1697","0.0018","14.797","0.004","19.644","0.005","90","","96.45","0.02","90","","2359.7","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C104 H108 N4 O28 S4 -","4","2","","Liu, Lixin; Zou, Dongyu; Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Zhang, Qiang; Wang, Jian; Zeng, Shaoyu; Wang, Conggang","Assembly of three pharmaceutical salts/cocrystals of tetrahydroberberine with sulfophenyl acids: improving the properties by formation of charge-assisted hydrogen bonds","New Journal of Chemistry","2019","43","12","4886","","10.1039/C9NJ00131J","","","0.71073","MoKα","","0.256","0.1185","","","0.1557","0.2029","","","","","","0.878","","","","has coordinates","224997","2020-10-21","18:00:00",""
"7058203","8.6392","0.0004","41.645","0.0017","7.5384","0.0004","90","","109.806","0.006","90","","2551.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O10 S -","- C27 H27 N O10 S -","- C108 H108 N4 O40 S4 -","4","1","","Liu, Lixin; Zou, Dongyu; Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Zhang, Qiang; Wang, Jian; Zeng, Shaoyu; Wang, Conggang","Assembly of three pharmaceutical salts/cocrystals of tetrahydroberberine with sulfophenyl acids: improving the properties by formation of charge-assisted hydrogen bonds","New Journal of Chemistry","2019","43","12","4886","","10.1039/C9NJ00131J","","","0.71073","MoKα","","0.1094","0.0536","","","0.1348","0.1671","","","","","","1.025","","","","has coordinates","224997","2020-10-21","18:00:00",""
"7058204","8.2161","0.0005","11.8768","0.0011","15.3082","0.0011","68.593","0.007","83.02","0.006","74.648","0.007","1340.59","0.19","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N O8 S -","- C27.9999 H32.9996 N O7.9999 S -","- C55.9998 H65.9992 N2 O15.9998 S2 -","2","1","","Liu, Lixin; Zou, Dongyu; Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Zhang, Qiang; Wang, Jian; Zeng, Shaoyu; Wang, Conggang","Assembly of three pharmaceutical salts/cocrystals of tetrahydroberberine with sulfophenyl acids: improving the properties by formation of charge-assisted hydrogen bonds","New Journal of Chemistry","2019","43","12","4886","","10.1039/C9NJ00131J","","","0.71073","MoKα","","0.0957","0.0601","","","0.1527","0.1818","","","","","","1.039","","","","has coordinates,has disorder","224997","2020-10-21","18:00:00",""
"7058205","15.1193","0.0016","31.626","0.004","15.4815","0.0017","90","","90.221","0.005","90","","7402.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H118 Cl2 Cu2 O4 P2 -","- C74 H100 Cl2 Cu2 O4 P2 -","- C296 H400 Cl8 Cu8 O16 P8 -","4","2","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Enantioselective Cu-catalyzed 1,4-additions of organozinc and Grignard reagents to enones: exceptional performance of the hydrido-phosphite-ligand BIFOP-H","New Journal of Chemistry","2019","43","12","4787","","10.1039/C8NJ05886E","","","1.54178","CuKα","","0.0867","0.0698","","","0.1781","0.1878","","","","","","1.048","","","","has coordinates","224992","2020-10-21","18:00:00",""
"7058206","10.244","0.003","7.692","0.002","40.899","0.013","90","","91.171","0.005","90","","3222","1.6","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N4 S -","- C42 H30 N4 S -","- C168 H120 N16 S4 -","4","1","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","0.71075","MoKα","","0.0993","0.086","","","0.1486","0.1539","","","","","","1.322","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058207","11.3888","0.0003","16.5518","0.0004","7.34853","0.00016","90","","95.978","0.007","90","","1377.7","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 S -","- C18 H12 N2 S -","- C72 H48 N8 S4 -","4","1","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","1.54187","CuKα","","0.0427","0.037","","","0.0827","0.0898","","","","","","1.07","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058208","20.91","0.03","16.129","0.018","7.622","0.008","90","","92.45","0.03","90","","2568","5","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H23.5 Cl1.5 N3 S -","- C31.5 H23.5 Cl1.5 N3 S -","- C126 H94 Cl6 N12 S4 -","4","1","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","0.71075","MoKα","","0.1463","0.1089","","","0.249","0.2814","","","","","","1.2","","","","has coordinates,has disorder","224872","2020-10-21","18:00:00",""
"7058209","9.68416","0.00018","16.7578","0.0003","9.90562","0.00018","90","","107.216","0.008","90","","1535.51","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N4 S2 -","- C40 H28 N4 S2 -","- C80 H56 N8 S4 -","2","0.5","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","1.54187","CuKα","","0.0536","0.0434","","","0.0928","0.1019","","","","","","1.105","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058210","9.7257","0.0006","13.5406","0.001","19.916","0.002","97.06","0.011","101.514","0.01","110.082","0.01","2360.9","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N3 O S -","- C31 H23 N3 O S -","- C124 H92 N12 O4 S4 -","4","2","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","0.71075","MoKα","","0.0902","0.0735","","","0.1541","0.1647","","","","","","1.169","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058211","10.5572","0.0002","7.54937","0.00016","40.8382","0.0009","90","","91.708","0.007","90","","3253.37","0.12","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N4 -","- C44 H32 N4 -","- C176 H128 N16 -","4","1","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","1.54187","CuKα","","0.088","0.0564","","","0.093","0.1064","","","","","","1.064","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058212","17.2628","0.0004","18.8662","0.0005","11.5654","0.0003","90","","102.73","0.007","90","","3674.07","0.19","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 Cl3 N2 -","- C47 H35 Cl3 N2 -","- C188 H140 Cl12 N8 -","4","1","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","1.54187","CuKα","","0.1178","0.0732","","","0.1191","0.1346","","","","","","1.05","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058213","10.007","0.004","15.858","0.006","22.656","0.007","71.126","0.018","79.22","0.03","87.4","0.04","3342","2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H59 Cl3 N10 S2 -","- C83 H59 Cl3 N10 S2 -","- C166 H118 Cl6 N20 S4 -","2","1","","Ishi-i, Tsutomu; Tanaka, Honoka; Youfu, Ryusuke; Aizawa, Naoya; Yasuda, Takuma; Kato, Shin-ichiro; Matsumoto, Taisuke","Mechanochromic fluorescence based on a combination of acceptor and bulky donor moieties: tuning emission color and regulating emission change direction","New Journal of Chemistry","2019","43","13","4998","","10.1039/C8NJ06050A","","","0.71075","MoKα","","0.1787","0.1244","","","0.2706","0.314","","","","","","1.097","","","","has coordinates","224872","2020-10-21","18:00:00",""
"7058214","9.599","0.003","15.509","0.005","10.397","0.003","90","","90.795","0.009","90","","1547.7","0.8","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N6 O3 Zn -","- C12 H20 N6 O3 Zn -","- C48 H80 N24 O12 Zn4 -","4","1","","Mondal, Satyajit; Chakraborty, Moumita; Mondal, Antu; Pakhira, Bholanath; Mukhopadhyay, Subhra Kanti; Banik, Avishek; Sengupta, Swaraj; Chattopadhyay, Shyamal Kumar","Crystal structure, spectroscopic, DNA binding studies and DFT calculations of a Zn(ii) complex","New Journal of Chemistry","2019","43","14","5466","","10.1039/C8NJ05646C","","","0.71073","MoKα","","0.068","0.0452","","","0.1023","0.1267","","","","","","1.1","","","","has coordinates,has disorder","224874","2020-10-21","18:00:00",""
"7058215","20.1821","0.0003","35.3003","0.0004","13.25738","0.00019","90","","90","","90","","9445","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C98 H72 N18 O29 Zn5 -","- C98 H72 N18 O29 Zn5 -","- C392 H288 N72 O116 Zn20 -","4","0.5","","Qin, Yin; Li, Yilin; Guo, Kaimeng; Tang, Huabiao; Hou, Lifen; Li, Gang","Water-assisted proton conductivity of two highly stable imidazole multi-carboxylate-based MOFs","New Journal of Chemistry","2019","43","12","4859","","10.1039/C9NJ00400A","","x-ray","1.54184","CuKα","","0.0579","0.0455","","","0.1212","0.131","","","","","","1.027","","","","has coordinates,has disorder","224995","2020-10-21","18:00:00",""
"7058216","10.2225","0.0003","11.0737","0.0003","11.3556","0.0002","91.38","0.002","111.018","0.002","117.458","0.003","1036.54","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Mn N3 O11 -","- C17 H20 Mn N3 O11 -","- C34 H40 Mn2 N6 O22 -","2","1","","Qin, Yin; Li, Yilin; Guo, Kaimeng; Tang, Huabiao; Hou, Lifen; Li, Gang","Water-assisted proton conductivity of two highly stable imidazole multi-carboxylate-based MOFs","New Journal of Chemistry","2019","43","12","4859","","10.1039/C9NJ00400A","","x-ray","1.54184","CuKα","","0.0503","0.0448","","","0.1181","0.1244","","","","","","1.025","","","","has coordinates","224995","2020-10-21","18:00:00",""
"7058217","17.2071","0.0007","34.1615","0.0014","14.3823","0.0007","90","","90","","90","","8454.2","0.6","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C58 H38 O4 -","- C58 H38 O4 -","- C464 H304 O32 -","8","0.5","","Shahrokhi, Farshid; Zhao, Yuming","A tetrathiafulvalene vinylogue-based double-layer polymer thin film as a highly sensitive and selective TNT sensor","New Journal of Chemistry","2019","43","14","5277","","10.1039/C8NJ06467A","","","1.54178","CuKα","","0.0542","0.0458","","","0.1129","0.1176","","","","","","1.062","","","","has coordinates","224879","2020-10-21","18:00:00",""
"7058218","21.0049","0.0017","9.4507","0.0007","20.2923","0.0016","90","","90.71","0.002","90","","4027.9","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 O2 -","- C28 H18 O2 -","- C224 H144 O16 -","8","2","","Shahrokhi, Farshid; Zhao, Yuming","A tetrathiafulvalene vinylogue-based double-layer polymer thin film as a highly sensitive and selective TNT sensor","New Journal of Chemistry","2019","43","14","5277","","10.1039/C8NJ06467A","","","0.71073","MoKα","","0.0726","0.0472","","","0.1181","0.1328","","","","","","1.005","","","","has coordinates,has disorder","224879","2020-10-21","18:00:00",""
"7058219","8.7687","0.0002","11.4801","0.0002","13.26","0.0002","64.267","0.001","81.337","0.001","90.344","0.001","1184.9","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O3 Sn -","- C27 H22 N2 O3 Sn -","- C54 H44 N4 O6 Sn2 -","2","1","","Berrones-Reyes, Jessica C.; Muñoz-Flores, Blanca M.; Molina-Paredes, Abigail; Ibarra Rodríguez, Marisol; Rodríguez-Ortega, Alejandro; Dias, H. V. Rasika; Jiménez-Pérez, Víctor M.","Fluorescent organotin compounds as dyes in silk fibroin (Bombyx mori): ultrasound-assisted synthesis, chemo-optical characterization, cytotoxicity, and confocal fluorescence microscopy","New Journal of Chemistry","2019","43","13","5150","","10.1039/C8NJ05248D","","","0.71073","MoKα","","0.0345","0.0268","","","0.0627","0.0662","","","","","","1.062","","","","has coordinates","224873","2020-10-21","18:00:00",""
"7058220","10.3043","0.0012","11.1764","0.0013","12.8993","0.0015","85.347","0.001","87.389","0.001","83.997","0.001","1471.5","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N2 O2 Sn -","- C34 H36 N2 O2 Sn -","- C68 H72 N4 O4 Sn2 -","2","1","","Berrones-Reyes, Jessica C.; Muñoz-Flores, Blanca M.; Molina-Paredes, Abigail; Ibarra Rodríguez, Marisol; Rodríguez-Ortega, Alejandro; Dias, H. V. Rasika; Jiménez-Pérez, Víctor M.","Fluorescent organotin compounds as dyes in silk fibroin (Bombyx mori): ultrasound-assisted synthesis, chemo-optical characterization, cytotoxicity, and confocal fluorescence microscopy","New Journal of Chemistry","2019","43","13","5150","","10.1039/C8NJ05248D","","","0.71073","MoKα","","0.0293","0.0282","","","0.0716","0.0725","","","","","","1.08","","","","has coordinates","224873","2020-10-21","18:00:00",""
"7058221","9.9338","0.0006","27.9007","0.0017","9.4653","0.0005","90","","115.055","0.002","90","","2376.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Mn N2 O6 -","- C26 H21.554 Mn N2 O6 -","- C104 H86.216 Mn4 N8 O24 -","4","0.5","","Dutta, Basudeb; Maity, Suvendu; Ghosh, Soumen; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","An acetylenedicarboxylato-bridged Mn(ii)-based 1D coordination polymer: electrochemical CO2 reduction and magnetic properties","New Journal of Chemistry","2019","43","13","5167","","10.1039/C8NJ06387G","","","0.71073","MoKα","","0.0934","0.0769","","","0.2076","0.2228","","","","","","1.109","","","","has coordinates,has disorder","224871","2020-10-21","18:00:00",""
"7058222","13.957","0.002","5.455","0.0009","14.7103","0.0019","90","","107.844","0.009","90","","1066.1","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Bouzayani, Nadia; Marque, Sylvain; Kacem, Yakdhane; Kraïem, Jamil; Bourdreux, Flavien; Marrot, Jérôme; Ben Hassine, Béchir","Chiral arylideneaminoimidazolidin-4-ones: green synthesis and isomerisation mechanism in solution","New Journal of Chemistry","2019","43","12","4777","","10.1039/C9NJ00022D","","","0.71073","MoKα","","0.1065","0.0666","","","0.1414","0.1579","","","","","","1.074","","","","has coordinates","224999","2020-10-21","18:00:00",""
"7058223","9.9226","0.0002","15.7155","0.0003","11.5782","0.0002","90","","108.572","0.003","90","","1711.47","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C88 H64 O12 S4 -","4","1","","Özgür, Mehtap; Yılmaz, Mehmet; Nishino, Hiroshi; Çinar Avar, Eda; Dal, Hakan; Pekel, A. Tarık; Hökelek, Tuncer","Efficient syntheses and antimicrobial activities of new thiophene containing pyranone and quinolinone derivatives using manganese(iii) acetate: the effect of thiophene on ring closure‒opening reactions","New Journal of Chemistry","2019","43","15","5737","","10.1039/C9NJ00054B","","","0.71073","MoKα","","0.038","0.0321","","","0.0804","0.0843","","","","","","1.035","","","","has coordinates","224913","2020-10-21","18:00:00",""
"7058224","11.58","0.0008","9.6323","0.0004","14.7642","0.001","90","","107.415","0.007","90","","1571.34","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","methanol(2-oxobenzaldehyde 2-aminobenzoylhydrazonato-O,N,O')dioxomolybdenum(VI)","","","- C15 H15 Mo N3 O5 -","- C15 H15 Mo N3 O5 -","- C60 H60 Mo4 N12 O20 -","4","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","x-ray","0.71073","MoKα","","0.1073","0.0531","","","0.1047","0.1216","","","","","","1.027","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058225","8.1665","0.0005","9.6856","0.0004","18.1363","0.0011","90","","94.776","0.006","90","","1429.55","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo-bis(2-oxobenzaldehyde 2-aminobenzoylhydrazonato-O,N,O',N')tetraoxo-dimolybdenum(VI)","","","- C14 H11 Mo N3 O4 -","- C14 H11 Mo N3 O4 -","- C56 H44 Mo4 N12 O16 -","4","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","x-ray","0.71073","MoKα","","0.1128","0.0577","","","0.0725","0.0856","","","","","","0.968","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058226","12.1433","0.0013","9.9365","0.0005","12.6523","0.0012","90","","98.553","0.009","90","","1509.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo-bis(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O\#8217;,N\#8217;)tetraoxo-dimolybdenum(VI)","","","- C15 H13 Mo N3 O5 -","- C15 H13 Mo N3 O5 -","- C60 H52 Mo4 N12 O20 -","4","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","","0.71073","MoKα","","0.1187","0.07","","","0.1586","0.1854","","","","","","0.992","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058227","8.1916","0.0004","9.2854","0.0005","12.513","0.0005","79.025","0.004","89.996","0.003","74.99","0.004","901.26","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","cyclo-bis(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O\#8217;,N\#8217;)tetraoxo-dimolybdenum(VI)/acetonitrile (1/2)","","","- C17 H16 Mo N4 O5 -","- C17 H16 Mo N4 O5 -","- C34 H32 Mo2 N8 O10 -","2","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","","0.71073","MoKα","","0.0587","0.037","","","0.0752","0.082","","","","","","1.006","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058228","12.519","0.001","18.429","0.0006","12.9998","0.0008","90","","114.273","0.008","90","","2734.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo-bis(2-oxobenzaldehyde 2-aminobenzoylhydrazonato-O,N,O',N')tetraoxo-dimolybdenum(VI)","","","- C28 H22 Mo2 N6 O8 -","- C28 H22 Mo2 N6 O8 -","- C112 H88 Mo8 N24 O32 -","4","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","x-ray","0.71073","MoKα","","0.0919","0.0515","","","0.0796","0.0898","","","","","","1.031","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058229","12.9814","0.0007","9.8022","0.0004","14.1346","0.0007","90","","106.969","0.005","90","","1720.27","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","methanol(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O')dioxo molybdenum(VI)","","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C64 H68 Mo4 N12 O24 -","4","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","x-ray","0.71073","MoKα","","0.0915","0.0508","","","0.0668","0.0769","","","","","","1.004","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058230","8.0972","0.0003","9.5153","0.0002","20.0124","0.0005","90","","90.318","0.003","90","","1541.88","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo-bis(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O',N')tetraoxo-dimolybdenum(VI)","","","- C15 H13 Mo N3 O5 -","- C15 H13 Mo N3 O5 -","- C60 H52 Mo4 N12 O20 -","4","1","","Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach","New Journal of Chemistry","2019","43","14","5531","","10.1039/C9NJ00229D","","x-ray","0.71073","MoKα","","0.0554","0.0364","","","0.0979","0.1196","","","","","","1.151","","","","has coordinates","224878","2020-10-21","18:00:00",""
"7058231","11.0337","0.0007","11.2495","0.0006","9.7684","0.0006","90","","105.107","0.002","90","","1170.59","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DNAMBO","","- C5 H10 N10 O6 -","- C5 H10 N10 O6 -","- C20 H40 N40 O24 -","4","0.5","","Cao, Yupeng; Lin, Xiangyang; Yang, Jun; Gong, Xuedong; Fan, Guijuan; Huang, Haifeng","Synthesis and performance study of methylene-bridged bis(nitramino-1,2,4-oxadiazole) and its energetic salts","New Journal of Chemistry","2019","43","14","5441","","10.1039/C9NJ00421A","","","0.71073","MoKα","","0.0317","0.0295","","","0.0778","0.0796","","","","","","1.082","","","","has coordinates","224877","2020-10-21","18:00:00",""
"7058232","14.4908","0.0013","12.5546","0.0012","15.4384","0.0014","90","","106.662","0.002","90","","2690.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 N16 O15 V6 -","- C40 H50 N16 O15 V6 -","- C80 H100 N32 O30 V12 -","2","0.5","","Li, Chunxia; Zhong, Dandan; Huang, Xianqiang; Shen, Guodong; Li, Qiang; Du, Jiyuan; Li, Qianli; Wang, Suna; Li, Jikun; Dou, Jianmin","Two organic‒inorganic hybrid polyoxovanadates as reusable catalysts for Knoevenagel condensation","New Journal of Chemistry","2019","43","15","5813","","10.1039/C8NJ06460A","","","0.71073","MoKα","","0.0869","0.0448","","","0.105","0.1266","","","","","","1.008","","","","has coordinates,has disorder","224910","2020-10-21","18:00:00",""
"7058233","19.5903","0.0017","9.3317","0.0008","15.8463","0.0012","90","","110.43","0.002","90","","2714.7","0.4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H57 N8 Ni3 O45.5 V10 -","- C16 H57 N8 Ni3 O45.5 V10 -","- C32 H114 N16 Ni6 O91 V20 -","2","0.25","","Li, Chunxia; Zhong, Dandan; Huang, Xianqiang; Shen, Guodong; Li, Qiang; Du, Jiyuan; Li, Qianli; Wang, Suna; Li, Jikun; Dou, Jianmin","Two organic‒inorganic hybrid polyoxovanadates as reusable catalysts for Knoevenagel condensation","New Journal of Chemistry","2019","43","15","5813","","10.1039/C8NJ06460A","","","0.71073","MoKα","","0.0908","0.0713","","","0.1905","0.2063","","","","","","0.993","","","","has coordinates,has disorder","224910","2020-10-21","18:00:00",""
"7058234","10.4002","0.001","13.3883","0.0013","14.297","0.0014","68.135","0.008","70.54","0.008","69.104","0.007","1679.3","0.3","120","2","119.99","","","","","","","","","6","P 1","P 1","1","","","","- C32 H24 F8 I2 N4 O4 -","- C32 H24 F8 I2 N4 O4 -","- C64 H48 F16 I4 N8 O8 -","2","2","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors","New Journal of Chemistry","2019","43","14","5512","","10.1039/C8NJ05750H","","","0.71073","MoKα","","0.0511","0.0464","","","0.1228","0.1365","","","","","","1.068","","","","has coordinates","224875","2020-10-21","18:00:00",""
"7058235","11.5438","0.0005","14.8242","0.0007","21.829","0.0017","90","","90","","90","","3735.5","0.4","120","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H20 F8 I2 N4 O2 -","- C42 H20 F8 I2 N4 O2 -","- C168 H80 F32 I8 N16 O8 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors","New Journal of Chemistry","2019","43","14","5512","","10.1039/C8NJ05750H","","","0.71073","MoKα","","0.0584","0.046","","","0.1174","0.1234","","","","","","1.087","","","","has coordinates","224875","2020-10-21","18:00:00",""
"7058236","5.2031","0.0002","17.8566","0.0004","32.8945","0.0008","90","","90","","90","","3056.22","0.15","120","2","119.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 F8 I2 N4 O2 -","- C30 H22 F8 I2 N4 O2 -","- C120 H88 F32 I8 N16 O8 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors","New Journal of Chemistry","2019","43","14","5512","","10.1039/C8NJ05750H","","","0.71073","MoKα","","0.0458","0.0357","","","0.0874","0.0907","","","","","","1.08","","","","has coordinates","224875","2020-10-21","18:00:00",""
"7058237","16.836","0.017","8.35","0.008","19.27","0.02","90","","90.98","0.03","90","","2709","5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","(1S,2S,1'R,2'R)-Azide","","","- C60 H64 N10 O2 P2 -","- C60 H59 N9.606 O2 P2 -","- C120 H118 N19.212 O4 P4 -","2","1","","Cruz-Hernández, Carlos; Landeros, José M.; Juaristi, Eusebio","Multifunctional phosphoramide-(S)-prolinamide derivatives as efficient organocatalysts in asymmetric aldol and Michael reactions","New Journal of Chemistry","2019","43","14","5455","","10.1039/C9NJ00300B","","x-ray","0.71073","MoKα","","0.1065","0.0701","","","0.1677","0.1943","","","","","","1.048","","","","has coordinates,has disorder","224876","2020-10-21","18:00:00",""
"7058238","16.8427","0.0002","16.8427","0.0002","6.8112","0.0001","90","","90","","120","","1673.31","0.04","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- O30 Pr7 W6.25 Zn0.75 -","- O30 Pr7 W6.25 Zn0.75 -","- O90 Pr21 W18.75 Zn2.25 -","3","0.166667","","Lacorre, Philippe","On the crystal structures of Pr7W6.25M0.75O30 (M = Zn, Co) and so-called MPr2W2O10 (M = Co, Mn, Cd)","New Journal of Chemistry","2019","43","15","5662","","10.1039/C9NJ00548J","powder diffraction","","1.54056","X-rayCuKα","","","","","","","","","7.79","4.32","","","","","","","has coordinates","224911","2020-10-21","18:00:00",""
"7058239","16.8341","0.0002","16.8341","0.0002","6.8079","0.0001","90","","90","","120","","1670.8","0.04","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Co0.75 O30 Pr7 W6.25 -","- Co0.75 O30 Pr7 W6.25 -","- Co2.25 O90 Pr21 W18.75 -","3","0.166667","","Lacorre, Philippe","On the crystal structures of Pr7W6.25M0.75O30 (M = Zn, Co) and so-called MPr2W2O10 (M = Co, Mn, Cd)","New Journal of Chemistry","2019","43","15","5662","","10.1039/C9NJ00548J","powder diffraction","","1.54056","X-rayCuKα","","","","","","","","","4.18","3.06","","","","","","","has coordinates","224911","2020-10-21","18:00:00",""
"7058240","5.988","0.0001","7.444","0.0002","17.488","0.0005","90","","96.277","0.002","90","","774.85","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","selenocyanate","1-(selenocyanatomethyl)benzene","","- C8 H7 N Se -","- C8 H7 N Se -","- C32 H28 N4 Se4 -","4","1","","Nasim, Muhammad Jawad; Witek, Karolina; Kincses, Annamária; Abdin, Ahmad Yaman; Żesławska, Ewa; Marć, Małgorzata Anna; Gajdács, Márió; Spengler, Gabriella; Nitek, Wojciech; Latacz, Gniewomir; Karczewska, Elżbieta; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga; Jacob, Claus","Pronounced activity of aromatic selenocyanates against multidrug resistant ESKAPE bacteria","New Journal of Chemistry","2019","43","15","6021","","10.1039/C9NJ00563C","","","0.71073","MoKα","","0.0261","0.0226","","","0.0521","0.0536","","","","18.73","18.73","1.083","","","","has coordinates","224912","2020-10-21","18:00:00",""
"7058241","8.2486","0.0002","5.9839","0.0001","20.4158","0.0007","90","","93.097","0.003","90","","1006.23","0.05","293","2","293","2","","","","","","","","4","I 1 a 1","I -2ya","9","selenocyanate","2-(selenocyanatomethyl)naphthalene","","- C12 H9 N Se -","- C12 H9 N Se -","- C48 H36 N4 Se4 -","4","1","","Nasim, Muhammad Jawad; Witek, Karolina; Kincses, Annamária; Abdin, Ahmad Yaman; Żesławska, Ewa; Marć, Małgorzata Anna; Gajdács, Márió; Spengler, Gabriella; Nitek, Wojciech; Latacz, Gniewomir; Karczewska, Elżbieta; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga; Jacob, Claus","Pronounced activity of aromatic selenocyanates against multidrug resistant ESKAPE bacteria","New Journal of Chemistry","2019","43","15","6021","","10.1039/C9NJ00563C","","x-ray","0.71073","MoKα","","0.0399","0.037","","","0.0923","0.0948","","","","","","1.046","","","","has coordinates","224912","2020-10-21","18:00:00",""
"7058242","11.8757","0.0005","13.1776","0.0006","15.2002","0.0006","90","","112.138","0.002","90","","2203.37","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu(6-MeTPA)Cl]PF6","","","- C19 H20 Cl Cu F6 N4 P -","- C19 H20 Cl Cu F6 N4 P -","- C76 H80 Cl4 Cu4 F24 N16 P4 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0527","0.0362","","","0.0839","0.0921","","","","","","1.006","","","","has coordinates","224844","2020-10-21","18:00:00",""
"7058243","33.4625","0.001","9.7014","0.0003","15.791","0.0005","90","","91.518","0.001","90","","5124.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(BQPA)Cl]PF6","","","- C26 H22 Cl Cu F6 N4 P -","- C26 H22 Cl Cu F6 N4 P -","- C208 H176 Cl8 Cu8 F48 N32 P8 -","8","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0242","0.0228","","","0.0636","0.0644","","","","","","1.019","","","","has coordinates","224844","2020-10-21","18:00:00",""
"7058244","16.9159","0.0006","8.7895","0.0003","19.0235","0.0007","90","","112.756","0.002","90","","2608.29","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(L3)Cl]ClO4","","","- C24 H30 Cl2 Cu N4 O6 -","- C24 H30 Cl2 Cu N4 O6 -","- C96 H120 Cl8 Cu4 N16 O24 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0401","0.0301","","","0.0722","0.0766","","","","","","1.01","","","","has coordinates","224844","2020-10-21","18:00:00",""
"7058245","12.7761","0.0004","12.9219","0.0004","14.693","0.0005","90","","106.9","0.002","90","","2320.93","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu(BPQA)Cl]PF6","","","- C22 H20 Cl Cu F6 N4 P -","- C22 H20 Cl Cu F6 N4 P -","- C88 H80 Cl4 Cu4 F24 N16 P4 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.031","0.024","","","0.0636","0.0681","","","","","","1.017","","","","has coordinates,has disorder","224844","2020-10-21","18:00:00",""
"7058246","12.3694","0.0005","12.6452","0.0005","14.7677","0.0006","90","","106.807","0.002","90","","2211.2","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(BPQA)Cl]ClO4","","","- C22 H20 Cl2 Cu N4 O4 -","- C22 H20 Cl2 Cu N4 O4 -","- C88 H80 Cl8 Cu4 N16 O16 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0392","0.0287","","","0.0626","0.066","","","","","","1.068","","","","has coordinates,has disorder","224844","2020-10-21","18:00:00",""
"7058247","9.2019","0.0005","11.2119","0.0006","21.9518","0.0011","90","","90","","90","","2264.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Cu(L2)Cl]Clo4","","","- C20 H22 Cl2 Cu N4 O6 -","- C20 H22 Cl2 Cu N4 O6 -","- C80 H88 Cl8 Cu4 N16 O24 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0247","0.0219","","","0.0528","0.0537","","","","","","1.018","","","","has coordinates,has disorder","224844","2020-10-21","18:00:00",""
"7058248","14.5459","0.001","18.4758","0.0012","18.4808","0.0013","97.653","0.003","93.831","0.003","93.87","0.003","4896.7","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Cu(L1)Cl]PF6","","","- C21 H24 Cl Cu F6 N4 O P -","- C21 H24 Cl Cu F6 N4 O P -","- C168 H192 Cl8 Cu8 F48 N32 O8 P8 -","8","4","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0902","0.0648","","","0.1651","0.1852","","","","","","1.042","","","","has coordinates","224844","2020-10-21","18:00:00",""
"7058249","11.1602","0.0007","13.2764","0.001","18.3804","0.001","69.305","0.006","86.823","0.005","73.4","0.006","2438.3","0.3","293","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Fe La N12 O -","- C42 H26 Fe La N12 O -","- C84 H52 Fe2 La2 N24 O2 -","2","1","","Pal, Souvik; Dey, Kartick; Benmansour, Samia; Gómez-García, Carlos J.; Nayek, Hari Pada","Syntheses, structures and magnetic properties of cyano-bridged one-dimensional Ln3±-Fe3+ (Ln = La, Dy, Ho and Yb) coordination polymers","New Journal of Chemistry","2019","43","16","6228","","10.1039/C8NJ05173A","","","0.71073","MoKα","","0.0695","0.0525","","","0.1385","0.1465","","","","","","1.074","","","","has coordinates","224845","2020-10-21","18:00:00",""
"7058250","23.775","0.0013","12.0537","0.0007","14.8403","0.0011","90","","116.61","0.008","90","","3802.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Dy Fe N10 O10 -","- C30 H36 Dy Fe N10 O10 -","- C120 H144 Dy4 Fe4 N40 O40 -","4","0.5","","Pal, Souvik; Dey, Kartick; Benmansour, Samia; Gómez-García, Carlos J.; Nayek, Hari Pada","Syntheses, structures and magnetic properties of cyano-bridged one-dimensional Ln3±-Fe3+ (Ln = La, Dy, Ho and Yb) coordination polymers","New Journal of Chemistry","2019","43","16","6228","","10.1039/C8NJ05173A","","","1.54184","CuKα","","0.0753","0.0587","","","0.1408","0.1501","","","","","","1.14","","","","has coordinates","224845","2020-10-21","18:00:00",""
"7058251","23.486","0.0006","12.26","0.0004","15.158","0.0007","90","","117.168","0.007","90","","3883","0.3","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Fe N10 O8 Yb -","- C30 H28 Fe N10 O8 Yb -","- C120 H112 Fe4 N40 O32 Yb4 -","4","0.5","","Pal, Souvik; Dey, Kartick; Benmansour, Samia; Gómez-García, Carlos J.; Nayek, Hari Pada","Syntheses, structures and magnetic properties of cyano-bridged one-dimensional Ln3±-Fe3+ (Ln = La, Dy, Ho and Yb) coordination polymers","New Journal of Chemistry","2019","43","16","6228","","10.1039/C8NJ05173A","","","0.71073","MoKα","","0.1283","0.0748","","","0.1727","0.211","","","","","","1.003","","","","has coordinates,has disorder","224845","2020-10-21","18:00:00",""
"7058252","23.6159","0.0009","12.3991","0.0005","15.1656","0.0008","90","","116.836","0.006","90","","3962.5","0.4","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Fe Ho N10 O8 -","- C30 H20 Fe Ho N10 O8 -","- C120 H80 Fe4 Ho4 N40 O32 -","4","0.5","","Pal, Souvik; Dey, Kartick; Benmansour, Samia; Gómez-García, Carlos J.; Nayek, Hari Pada","Syntheses, structures and magnetic properties of cyano-bridged one-dimensional Ln3±-Fe3+ (Ln = La, Dy, Ho and Yb) coordination polymers","New Journal of Chemistry","2019","43","16","6228","","10.1039/C8NJ05173A","","","0.71073","MoKα","","0.0863","0.0573","","","0.1295","0.1414","","","","","","1.02","","","","has coordinates","224845","2020-10-21","18:00:00",""
"7058253","5.0477","0.0004","6.1732","0.0005","41.665","0.003","90","","90","","90","","1298.3","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-nitrobenzyl 2,3,4,5,6-pentafluorophenyl sulfide","","- C13 H6 F5 N O2 S -","- C13 H6 F5 N O2 S -","- C52 H24 F20 N4 O8 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan Francesc; Cardellicchio, Cosimo","Supramolecular synthons in fluorinated benzyl nitrophenyl sulfides","New Journal of Chemistry","2019","43","15","5940","","10.1039/C8NJ05350B","","","0.71073","MoKα","","0.0819","0.0496","","","0.1006","0.1122","","","","","","1.026","","","","has coordinates","224914","2020-10-21","18:00:00",""
"7058254","5.5057","0.0003","14.4111","0.0009","16.1789","0.001","90","","90","","90","","1283.69","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-nitrophenyl 2,3,4,5,6-pentafluorobenzyl sulfide","","- C13 H6 F5 N O2 S -","- C13 H6 F5 N O2 S -","- C52 H24 F20 N4 O8 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan Francesc; Cardellicchio, Cosimo","Supramolecular synthons in fluorinated benzyl nitrophenyl sulfides","New Journal of Chemistry","2019","43","15","5940","","10.1039/C8NJ05350B","","","0.71073","MoKα","","0.0437","0.0334","","","0.0785","0.0833","","","","","","1.013","","","","has coordinates","224914","2020-10-21","18:00:00",""
"7058255","10.0326","0.0006","10.6832","0.0005","12.043","0.0007","114.722","0.003","97.632","0.004","108.601","0.004","1056.76","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","307","307","","- C26 H24 O7 -","- C26 H24 O7 -","- C52 H48 O14 -","2","1","","Dastoorani, Parvaneh; Khalilzadeh, Mohammad A.; Khaleghi, Fatemeh; Maghsoodlou, Malek Taher; Kaminsky, Werner; Shokuhi Rad, Ali","Experimental and computational studies on the synthesis of diastereoselective natural-based Meldrum spiro dibenzofuran derivatives","New Journal of Chemistry","2019","43","17","6615","","10.1039/C9NJ00766K","","","0.71073","MoKα","","0.1157","0.052","","","0.1039","0.1274","","","","","","1.015","","","","has coordinates","224805","2020-10-21","18:00:00",""
"7058256","12.0882","0.0009","7.9926","0.0006","19.6067","0.0014","90","","90","","90","","1894.3","0.2","100","2","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 Cl O4 Ru -","- C21 H23 Cl O4 Ru -","- C84 H92 Cl4 O16 Ru4 -","4","1","","Yousuf, Imtiyaz; Arjmand, Farukh; Tabassum, Sartaj; Ahmad, Musheer","Design and synthesis of a DNA intercalative half-sandwich organoruthenium(ii)‒chromone complex: cytotoxicity evaluation and topoisomerase Iα inhibition assay","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00042A","","","0.71073","MoKα","","0.023","0.0218","","","0.0531","0.0543","","","","","","1.0515","","","","has coordinates","214244","2020-10-21","18:00:00",""
"7058257","9.2019","0.0016","12.776","0.002","13.891","0.002","102.389","0.003","106.937","0.003","109.667","0.002","1379.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cu4 N8 O28 W6 -","- C40 H32 Cu4 N8 O28 W6 -","- C40 H32 Cu4 N8 O28 W6 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","Two isopolytungstate compounds based on rare [W6O22]8− and [H2W12O42]10− fragments captured by premade copper(ii) complexes","New Journal of Chemistry","2019","43","17","6765","","10.1039/C8NJ06367B","","","0.71073","MoKα","","0.0468","0.0322","","","0.0565","0.06","","","","","","0.954","","","","has coordinates","224807","2020-10-21","18:00:00",""
"7058258","11.802","0.005","12.989","0.005","14.21","0.006","63.158","0.007","82.957","0.008","68.761","0.007","1809.4","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H72 Cu N4 Na8 O74 W12 -","- C4 H8 Cu N4 Na8 O74 W12 -","- C4 H8 Cu N4 Na8 O74 W12 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","Two isopolytungstate compounds based on rare [W6O22]8− and [H2W12O42]10− fragments captured by premade copper(ii) complexes","New Journal of Chemistry","2019","43","17","6765","","10.1039/C8NJ06367B","","","0.71073","MoKα","","0.068","0.0382","","","0.0674","0.0754","","","","","","1.004","","","","has coordinates","224807","2020-10-21","18:00:00",""
"7058259","12.1512","0.0005","14.9012","0.0007","12.3525","0.0005","90","","93.101","0.003","90","","2233.36","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl2 O Si -","- C27 H20 Cl2 O Si -","- C108 H80 Cl8 O4 Si4 -","4","1","","Mames, Adam; Osior, Agnieszka; Szkudlarek, Piotr Grzegorz; Pietrzak, Mariusz; Szymański, Sławomir; Ratajczyk, Tomasz","Synthesis and structural characterization of exemplary silyl triptycenes","New Journal of Chemistry","2019","43","20","7567","","10.1039/C9NJ00934E","","","1.54178","CuKα","","0.078","0.055","","","0.1478","0.1655","","","","","","1.036","","","","has coordinates","224860","2020-10-21","18:00:00",""
"7058260","11.7985","0.0005","11.7703","0.0005","15.4232","0.0006","90","","97.149","0.003","90","","2125.2","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O Si -","- C27 H22 O Si -","- C108 H88 O4 Si4 -","4","1","","Mames, Adam; Osior, Agnieszka; Szkudlarek, Piotr Grzegorz; Pietrzak, Mariusz; Szymański, Sławomir; Ratajczyk, Tomasz","Synthesis and structural characterization of exemplary silyl triptycenes","New Journal of Chemistry","2019","43","20","7567","","10.1039/C9NJ00934E","","","1.54178","CuKα","","0.0943","0.0589","","","0.1356","0.1553","","","","","","0.921","","","","has coordinates","224860","2020-10-21","18:00:00",""
"7058261","12.1337","0.0012","10.3273","0.001","10.8935","0.0012","90","","90","","90","","1365","0.2","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H15 F4 P S -","- C12 H15 F4 P S -","- C48 H60 F16 P4 S4 -","4","1","","Facundo, Aldo A.; Arévalo, Alma; Fundora-Galano, Gabriela; Flores-Álamo, Marcos; Orgaz, Emilio; García, Juventino J.","Hydrodefluorination of functionalized fluoroaromatics with triethylphosphine: a theoretical and experimental study","New Journal of Chemistry","2019","43","18","6897","","10.1039/C9NJ00721K","","","0.71073","MoKα","","0.0729","0.0483","","","0.0921","0.1046","","","","","","1.005","","","","has coordinates","224915","2020-10-21","18:00:00",""
"7058262","5.6945","0.0006","17.546","0.0018","6.621","0.0007","90","","106.106","0.004","90","","635.58","0.12","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Khan, Ishaat M.; Alam, Kehkashan; Alam, Mohammad Jane; Ahmad, Musheer","Spectrophotometric and photocatalytic studies of H-bonded charge transfer complex of oxalic acid with imidazole: single crystal XRD, experimental and DFT/TD-DFT studies","New Journal of Chemistry","2019","43","23","9039","","10.1039/C9NJ00332K","","","0.71073","MoKα","","0.0593","0.0479","","","0.0922","0.0964","","","","","","1.201","","","","has coordinates","224921","2020-10-21","18:00:00",""
"7058263","9.05","0.005","10.325","0.005","11.792","0.005","97.739","0.005","103.231","0.005","109.788","0.005","981.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O5 S2 -","- C19 H17 N3 O5 S2 -","- C38 H34 N6 O10 S4 -","2","1","","Preeti, Preeti; Singh, Krishna Nand","A diversity-oriented novel regioselective synthesis of sulfonamide‒thiazolidinone hybrids","New Journal of Chemistry","2019","43","16","6288","","10.1039/C9NJ00055K","","","0.71073","MoKα","","0.0614","0.0448","","","0.125","0.153","","","","","","1.085","","","","has coordinates","224841","2020-10-21","18:00:00",""
"7058264","4.8647","0.0003","25.2903","0.0017","6.7166","0.0005","90","","99.765","0.007","90","","814.37","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DCBNT","Biscarbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]","","- C6 H16 N18 O6 -","- C6 H16 N18 O6 -","- C12 H32 N36 O12 -","2","0.5","","Ren, Jianrong; Chen, Dong; Fan, Guijuan; Xiong, Ying; Zhang, Zhenqi; Yu, Yanwu; Li, Hongzhen","Synthesis, characterization and properties of a novel energetic ionic salt: dicarbohydrazide bis[3-(5-nitroimino-1,2,4-triazole)]","New Journal of Chemistry","2019","43","16","6422","","10.1039/C8NJ05416A","","","0.71073","MoKα","","0.1613","0.0978","","","0.1702","0.1881","","","","","","1.092","","","","has coordinates","224842","2020-10-21","18:00:00",""
"7058265","9.1054","0.0005","9.526","0.0004","15.03","0.0008","89.951","0.004","85.578","0.004","86.794","0.004","1297.75","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","(E)-5-chloro-1-methyl-4-((2-phenylhydrazono)methyl)-3-(trifluoromethyl)-1H-pyrazole","","- C12 H10 Cl F3 N4 -","- C12 H10 Cl F3 N4 -","- C48 H40 Cl4 F12 N16 -","4","2","","Jiao, Jian; Wang, An; Chen, Min; Wang, Meng-Qi; Yang, Chun-Long","Novel 5-chloro-pyrazole derivatives containing a phenylhydrazone moiety as potent antifungal agents: synthesis, crystal structure, biological evaluation and a 3D-QSAR study","New Journal of Chemistry","2019","43","16","6350","","10.1039/C9NJ00574A","","","0.71073","MoKα","","0.1077","0.0646","","","0.1241","0.1498","","","","","","1.011","","","","has coordinates","224840","2020-10-21","18:00:00",""
"7058266","14.9844","0.0006","17.5943","0.0007","7.8829","0.0003","90","","90","","90","","2078.25","0.14","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H30 O2 Ti -","- C24 H30 O2 Ti -","- C96 H120 O8 Ti4 -","4","0.5","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Laricheva, Yuliya A.; Piskunov, Alexandr V.","Di-tert-butylcatecholate derivatives of titanocene","New Journal of Chemistry","2019","43","17","6636","","10.1039/C9NJ00771G","","x-ray","0.71073","MoKα","","0.0353","0.0341","","","0.0885","0.0896","","","","","","1.063","","","","has coordinates,has disorder","224803","2020-10-21","18:00:00",""
"7058267","10.1699","0.0018","32.789","0.006","11.604","0.002","90","","96.672","0.004","90","","3843.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H55 O4 Ti2 -","- C43 H55 O4 Ti2 -","- C172 H220 O16 Ti8 -","4","2","","Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Laricheva, Yuliya A.; Piskunov, Alexandr V.","Di-tert-butylcatecholate derivatives of titanocene","New Journal of Chemistry","2019","43","17","6636","","10.1039/C9NJ00771G","","x-ray","0.71073","MoKα","","0.0531","0.0408","","","0.087","0.091","","","","","","1.031","","","","has coordinates","224803","2020-10-21","18:00:00",""
"7058268","9.0615","0.0002","25.7607","0.0005","13.9161","0.0003","90","","105.672","0.001","90","","3127.68","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H54 Co2 N12 O2 P2 -","- C70 H50 Co2 N12 O2 P2 -","- C140 H100 Co4 N24 O4 P4 -","2","0.5","","Alexandru, Maria-Gabriela; Marino, Nadia; Visinescu, Diana; De Munno, Giovanni; Andruh, Marius; Bentama, Abdeslem; Lloret, Francesc; Julve, Miguel","A novel octacyanido dicobalt(iii) building block for the construction of heterometallic compounds","New Journal of Chemistry","2019","43","17","6675","","10.1039/C9NJ00420C","","","0.71073","MoKα","","0.0504","0.038","","","0.087","0.0936","","","","","","1.078","","","","has coordinates","224804","2020-10-21","18:00:00",""
"7058269","11.347","0.0011","13.0729","0.0012","17.5444","0.0016","90.907","0.004","102.483","0.004","110.635","0.004","2365.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 Mn N17 O7 -","- C37 H33 Co2 Mn N17 O7 -","- C74 H66 Co4 Mn2 N34 O14 -","2","1","","Alexandru, Maria-Gabriela; Marino, Nadia; Visinescu, Diana; De Munno, Giovanni; Andruh, Marius; Bentama, Abdeslem; Lloret, Francesc; Julve, Miguel","A novel octacyanido dicobalt(iii) building block for the construction of heterometallic compounds","New Journal of Chemistry","2019","43","17","6675","","10.1039/C9NJ00420C","","","0.71073","MoKα","","0.0639","0.0525","","","0.1632","0.1732","","","","","","1.069","","","","has coordinates","224804","2020-10-21","18:00:00",""
"7058270","5.2558","0.0003","10.5965","0.0005","11.1192","0.0005","99.818","0.004","91.255","0.004","102.935","0.004","593.54","0.05","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","bis[2-methoxy-6-(thiophen-2-ylmethyliminomethyl)phenolate]copper(II)","","- C26 H24 Cu N2 O4 S2 -","- C26 H24 Cu N2 O4 S2 -","- C26 H24 Cu N2 O4 S2 -","1","0.5","","Rodríguez, María R.; Del Plá, Julián; Balsa, Lucía M.; León, Ignacio E.; Piro, Oscar E.; Echeverría, Gustavo A.; García-Tojal, Javier; Pis-Diez, Reinaldo; Parajón-Costa, Beatriz S.; González-Baró, Ana C.","Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from o-vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells","New Journal of Chemistry","2019","43","18","7120","","10.1039/C8NJ06274A","","x-ray","0.71073","MoKα","","0.0469","0.0357","","","0.0691","0.0732","","","","","","1.08","","","","has coordinates,has disorder","224917","2020-10-21","18:00:00",""
"7058271","22.6363","0.001","5.3423","0.0003","20.8134","0.0008","90","","104.814","0.004","90","","2433.3","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis[2-methoxy-6-(thiophen-2-ylmethyliminomethyl)phenolate]zinc(II)","","- C26 H24 N2 O4 S2 Zn -","- C26 H24 N2 O4 S2 Zn -","- C104 H96 N8 O16 S8 Zn4 -","4","0.5","","Rodríguez, María R.; Del Plá, Julián; Balsa, Lucía M.; León, Ignacio E.; Piro, Oscar E.; Echeverría, Gustavo A.; García-Tojal, Javier; Pis-Diez, Reinaldo; Parajón-Costa, Beatriz S.; González-Baró, Ana C.","Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from o-vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells","New Journal of Chemistry","2019","43","18","7120","","10.1039/C8NJ06274A","","x-ray","0.71073","MoKα","","0.0542","0.0385","","","0.078","0.0845","","","","","","1.073","","","","has coordinates,has disorder","224917","2020-10-21","18:00:00",""
"7058272","12.675","0.006","10.498","0.007","18.152","0.008","90","","94.975","0.015","90","","2406","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-bis (4-phenylbenzamide) benzene","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C128 H96 N8 O8 -","4","1","","Cavalheiro, Valéria Machado Siqueira; Nobre, Sabrina Madruga; Kessler, Felipe","Study of the dual functional behaviour of 1,2-bis(4-bromobenzamide)benzene by synchronous fluorescence spectroscopy","New Journal of Chemistry","2019","43","18","7162","","10.1039/C8NJ06066E","","","0.71073","MoKα","","0.1697","0.0698","","","0.1209","0.1485","","","","","","1.024","","","","has coordinates","224916","2020-10-21","18:00:00",""
"7058273","9.0205","0.0005","9.4323","0.0005","13.8142","0.0008","71.101","0.001","73.003","0.001","62.349","0.001","970.76","0.09","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N O9 -","- C20 H22 N O9 -","- C40 H44 N2 O18 -","2","1","","Liu, Jin-jian; Li, Jing; Zhao, Guo-zheng","Photochromism of supramolecular assemblies based on benzenecarboxylate donors and viologen acceptors","New Journal of Chemistry","2019","43","17","6607","","10.1039/C9NJ00796B","","","0.71073","MoKα","","0.0435","0.0385","","","0.0996","0.1029","","","","","","1.03","","","","has coordinates","224806","2020-10-21","18:00:00",""
"7058274","9.4575","0.0006","9.6725","0.0006","9.7995","0.0007","94.996","0.002","97.741","0.002","95.46","0.002","879.69","0.1","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O9 -","- C18 H17 N O9 -","- C36 H34 N2 O18 -","2","1","","Liu, Jin-jian; Li, Jing; Zhao, Guo-zheng","Photochromism of supramolecular assemblies based on benzenecarboxylate donors and viologen acceptors","New Journal of Chemistry","2019","43","17","6607","","10.1039/C9NJ00796B","","","0.71073","MoKα","","0.0569","0.0522","","","0.1347","0.1383","","","","","","1.079","","","","has coordinates,has disorder","224806","2020-10-21","18:00:00",""
"7058275","9.8941","0.0005","16.4507","0.0009","15.2172","0.0009","90","","95.22","0.001","90","","2466.6","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O9 -","- C26 H28 N2 O9 -","- C104 H112 N8 O36 -","4","1","","Liu, Jin-jian; Li, Jing; Zhao, Guo-zheng","Photochromism of supramolecular assemblies based on benzenecarboxylate donors and viologen acceptors","New Journal of Chemistry","2019","43","17","6607","","10.1039/C9NJ00796B","","","0.71073","MoKα","","0.0483","0.043","","","0.1109","0.1153","","","","","","1.021","","","","has coordinates","224806","2020-10-21","18:00:00",""
"7058276","8.38","0.003","9.417","0.003","9.554","0.003","87.314","0.007","69.762","0.008","83.089","0.008","702.3","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C26 H28 N4 O14 -","2","1","","Liu, Jin-jian; Li, Jing; Zhao, Guo-zheng","Photochromism of supramolecular assemblies based on benzenecarboxylate donors and viologen acceptors","New Journal of Chemistry","2019","43","17","6607","","10.1039/C9NJ00796B","","","0.71073","MoKα","","0.0512","0.0461","","","0.1258","0.1303","","","","","","1.061","","","","has coordinates","224806","2020-10-21","18:00:00",""
"7058277","11.6728","0.0012","13.1012","0.0012","13.9688","0.0012","98.888","0.005","111.434","0.004","92.418","0.005","1953.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N6 O17 V3 -","- C33 H35 N6 O17 V3 -","- C66 H70 N12 O34 V6 -","2","1","","Sutradhar, M.; Martins, Luísa Margarida; Roy Barman, Tannistha; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Vanadium complexes of different nuclearities in the catalytic oxidation of cyclohexane and cyclohexanol ‒ An experimental and theoretical investigation","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00348G","","","0.71073","MoKα","","0.176","0.0865","","","0.1687","0.2215","","","","","","1.04","","","","has coordinates,has disorder","214556","2020-10-21","18:00:00",""
"7058278","15.2735","0.0005","17.5699","0.0005","25.954","0.0006","97.646","0.002","98.97","0.002","106.968","0.003","6461.6","0.3","120","2","120","2","","","","","","","no","6","P -1","-P 1","2","no","salt of trans-indigo with cryptand[2.2.2](K+) cations, o-dichlorobenzene solvate","","- C253 H308 Cl11 K6 N26 O50 -","- C253 H308 Cl11 K6 N26 O50 -","- C253 H308 Cl11 K6 N26 O50 -","1","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Optical and magnetic properties of trans-indigo˙− radical anions. Magnetic coupling between trans-indigo˙− (S = 1/2) mediated by intermolecular hydrogen N‒H⋯OC bonds","New Journal of Chemistry","2019","43","19","7350","","10.1039/C9NJ00802K","","x-ray","0.71073","MoKα","","0.2076","0.0742","","","0.1595","0.1746","","","","","","1.005","","","","has coordinates,has disorder","224838","2020-10-21","18:00:00",""
"7058279","31.141","0.0013","7.6538","0.0004","15.1569","0.0007","90","","94.464","0.004","90","","3601.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 N2 O8 Sn -","- C38 H42 N2 O8 Sn -","- C152 H168 N8 O32 Sn4 -","4","0.5","","Vinayak, Richa; Nayek, Hari Pada","Organotin metalloligands for selective sensing of metal ions","New Journal of Chemistry","2019","43","19","7259","","10.1039/C9NJ00944B","","","0.71073","MoKα","","0.0841","0.0397","","","0.0451","0.0493","","","","","","0.928","","","","has coordinates","224833","2020-10-21","18:00:00",""
"7058280","12.2776","0.0007","17.0387","0.001","22.7943","0.0013","87.428","0.002","84.224","0.002","74.133","0.002","4562.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H120 N4 O18 Sn4 -","- C92 H120 N4 O18 Sn4 -","- C184 H240 N8 O36 Sn8 -","2","1","","Vinayak, Richa; Nayek, Hari Pada","Organotin metalloligands for selective sensing of metal ions","New Journal of Chemistry","2019","43","19","7259","","10.1039/C9NJ00944B","","","0.71073","MoKα","","0.0641","0.0465","","","0.1055","0.1222","","","","","","1.071","","","","has coordinates,has disorder","224833","2020-10-21","18:00:00",""
"7058281","17.105","0.0005","7.0549","0.0002","30.0023","0.0009","90","","91.318","0.002","90","","3619.54","0.18","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H42 N2 O8 Sn -","- C38 H42 N2 O8 Sn -","- C152 H168 N8 O32 Sn4 -","4","0.5","","Vinayak, Richa; Nayek, Hari Pada","Organotin metalloligands for selective sensing of metal ions","New Journal of Chemistry","2019","43","19","7259","","10.1039/C9NJ00944B","","","0.71073","MoKα","","0.0309","0.0256","","","0.063","0.0654","","","","","","1.078","","","","has coordinates","224833","2020-10-21","18:00:00",""
"7058282","11.71","0.001","13.7077","0.0009","17.9931","0.001","69.121","0.005","71.678","0.006","68.071","0.007","2447.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H120 N4 O18 Sn4 -","- C92 H120 N4 O18 Sn4 -","- C92 H120 N4 O18 Sn4 -","1","0.5","","Vinayak, Richa; Nayek, Hari Pada","Organotin metalloligands for selective sensing of metal ions","New Journal of Chemistry","2019","43","19","7259","","10.1039/C9NJ00944B","","","0.71073","MoKα","","0.1053","0.0849","","","0.2285","0.251","","","","","","1.037","","","","has coordinates","224833","2020-10-21","18:00:00",""
"7058283","28.338","0.0009","8.4206","0.0003","30.5231","0.0011","90","","110.181","0.0012","90","","6836.3","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 N12 O20 Tb4 -","- C64 H72 N12 O20 Tb4 -","- C256 H288 N48 O80 Tb16 -","4","0.5","","Wang, Wen-Min; Li, Xian-Zhen; Zhang, Li; Chen, Jia-Li; Wang, Jun-Hua; Wu, Zhi-Lei; Cui, Jian-Zhong","A series of [2 ×2] square grid LnIII4 clusters: a large magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","19","7419","","10.1039/C8NJ04454F","","","0.71073","MoKα","","0.0457","0.0289","","","0.0584","0.0641","","","","","","1.046","","","","has coordinates","224839","2020-10-21","18:00:00",""
"7058284","28.235","0.0016","8.4751","0.0005","30.4106","0.0014","90","","110.43","0.0015","90","","6819.3","0.6","150","2","149.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 Dy4 N12 O20 -","- C64 H72 Dy4 N12 O20 -","- C256 H288 Dy16 N48 O80 -","4","0.5","","Wang, Wen-Min; Li, Xian-Zhen; Zhang, Li; Chen, Jia-Li; Wang, Jun-Hua; Wu, Zhi-Lei; Cui, Jian-Zhong","A series of [2 ×2] square grid LnIII4 clusters: a large magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","19","7419","","10.1039/C8NJ04454F","","","0.71073","MoKα","","0.0368","0.0285","","","0.0646","0.0684","","","","","","1.05","","","","has coordinates","224839","2020-10-21","18:00:00",""
"7058285","28.4296","0.001","8.4017","0.0003","30.5551","0.001","90","","110.066","0.001","90","","6855.3","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 Gd4 N12 O20 -","- C64 H72 Gd4 N12 O20 -","- C256 H288 Gd16 N48 O80 -","4","0.5","","Wang, Wen-Min; Li, Xian-Zhen; Zhang, Li; Chen, Jia-Li; Wang, Jun-Hua; Wu, Zhi-Lei; Cui, Jian-Zhong","A series of [2 ×2] square grid LnIII4 clusters: a large magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","19","7419","","10.1039/C8NJ04454F","","","0.71073","MoKα","","0.0543","0.033","","","0.0701","0.0796","","","","","","1.045","","","","has coordinates","224839","2020-10-21","18:00:00",""
"7058286","28.1973","0.001","8.4679","0.0003","30.3722","0.001","90","","110.346","0.0011","90","","6799.6","0.4","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 Ho4 N12 O20 -","- C64 H72 Ho4 N12 O20 -","- C256 H288 Ho16 N48 O80 -","4","0.5","","Wang, Wen-Min; Li, Xian-Zhen; Zhang, Li; Chen, Jia-Li; Wang, Jun-Hua; Wu, Zhi-Lei; Cui, Jian-Zhong","A series of [2 ×2] square grid LnIII4 clusters: a large magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","19","7419","","10.1039/C8NJ04454F","","","0.71073","MoKα","","0.0484","0.0307","","","0.0663","0.074","","","","","","1.049","","","","has coordinates","224839","2020-10-21","18:00:00",""
"7058287","9.9811","0.0005","15.2986","0.0007","23.0545","0.0011","90","","101.511","0.002","90","","3449.5","0.3","301","2","300.73","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N6 -","- C42 H42 N6 -","- C168 H168 N24 -","4","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.1386","0.0689","","","0.1187","0.1398","","","","","","1.055","","","","has coordinates","224834","2020-10-21","18:00:00",""
"7058288","20.8248","0.0009","14.9586","0.0007","22.5799","0.0011","90","","113.663","0.001","90","","6442.5","0.5","298","2","298","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C63 H51.5 N16.5 O24.5 -","- C63 H51.5 N16.5 O24.5 -","- C252 H206 N66 O98 -","4","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.2116","0.1015","","","0.2223","0.278","","","","","","1.014","","","","has coordinates","224834","2020-10-21","18:00:00",""
"7058289","9.3404","0.0004","14.3252","0.0006","22.665","0.001","90","","90","","90","","3032.6","0.2","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 I3 N6 -","- C24 H27 I3 N6 -","- C96 H108 I12 N24 -","4","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.0923","0.0458","","","0.0747","0.0842","","","","","","1.04","","","","has coordinates,has disorder","224834","2020-10-21","18:00:00",""
"7058290","11.5556","0.0009","28.763","0.002","12.7786","0.001","90","","116.596","0.002","90","","3797.8","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 N9 O6 -","- C42 H39 N9 O6 -","- C168 H156 N36 O24 -","4","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.2302","0.0932","","","0.1683","0.2173","","","","","","1.008","","","","has coordinates","224834","2020-10-21","18:00:00",""
"7058291","13.312","0.0006","20.1594","0.0009","14.3878","0.0006","90","","110.682","0.001","90","","3612.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C60 H48 Cl3 N15 O21 -","- C60 H45.5 Cl3 N15 O21 -","- C120 H91 Cl6 N30 O42 -","2","0.5","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.1119","0.08","","","0.2277","0.2541","","","","","","1.038","","","","has coordinates,has disorder","224834","2020-10-21","18:00:00",""
"7058292","10.1425","0.0005","16.1254","0.0008","23.307","0.0012","90","","101.964","0.001","90","","3729.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 Cl3 N6 -","- C42 H39 Cl3 N6 -","- C168 H156 Cl12 N24 -","4","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.1365","0.07","","","0.1591","0.1893","","","","","","1.015","","","","has coordinates","224834","2020-10-21","18:00:00",""
"7058293","8.0177","0.0017","25.274","0.005","46.068","0.01","90","","94.034","0.003","90","","9312","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H43 N9 O7 -","- C48 H43 N9 O7 -","- C384 H344 N72 O56 -","8","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","x-ray","0.71076","MoKα","","0.2645","0.1315","","","0.2509","0.3036","","","","","","1.023","","","","has coordinates","224834","2020-10-21","18:00:00",""
"7058294","4.6397","0.0002","8.8879","0.0003","10.1789","0.0003","114.963","0.001","97.981","0.001","92.26","0.001","374.6","0.02","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cu2 N2 O6 -","- C10 H22 Cu2 N2 O6 -","- C10 H22 Cu2 N2 O6 -","1","0.5","","Ahamad, M. Naqi; Shahid, M.; Ansari, Azaj; Kumar, Manjeet; Khan, Ishaat M.; Ahmad, Musheer; Rahisuddin, Rahisuddin; Arif, Rizwan","A combined experimental and theoretical approach to investigate the structure, magnetic properties and DNA binding affinity of a homodinuclear Cu(ii) complex","New Journal of Chemistry","2019","43","19","7511","","10.1039/C9NJ00228F","","","0.71073","MoKα","","0.0204","0.0189","","","0.045","0.0457","","","","","","1.0575","","","","has coordinates","224836","2020-10-21","18:00:00",""
"7058295","12.9213","0.0009","7.5643","0.0005","22.5143","0.0015","90","","96.433","0.007","90","","2186.7","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F5 N3 O3 S Se -","- C22 H14 F5 N3 O3 S Se -","- C88 H56 F20 N12 O12 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0331","0.0237","","","0.0577","0.0619","","","","","","1.047","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058296","10.2003","0.0007","17.894","0.0013","12.5877","0.0009","90","","95.325","0.003","90","","2287.6","0.3","125","","125","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F5 N3 O3 S Se -","- C23 H16 F5 N3 O3 S Se -","- C92 H64 F20 N12 O12 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0907","0.0407","","","0.0661","0.0771","","","","","","0.928","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058297","11.3066","0.0007","11.8464","0.0008","15.0693","0.001","90","","93.197","0.007","90","","2015.3","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br Cl N2 O Se -","- C22 H14 Br Cl N2 O Se -","- C88 H56 Br4 Cl4 N8 O4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0339","0.0255","","","0.0612","0.0642","","","","","","1.026","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058298","9.5971","0.0006","10.5881","0.0007","11.4042","0.0007","65.702","0.006","79.265","0.006","87.524","0.007","1036.98","0.13","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Br N2 O2 Se -","- C23 H17 Br N2 O2 Se -","- C46 H34 Br2 N4 O4 Se2 -","2","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0354","0.0303","","","0.0834","0.0845","","","","","","1.001","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058299","18.243","0.0012","7.5672","0.0005","20.083","0.002","90","","116.938","0.006","90","","2471.6","0.4","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F5 N3 O5 S Se -","- C24 H18 F5 N3 O5 S Se -","- C96 H72 F20 N12 O20 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0604","0.0522","","","0.1451","0.1493","","","","","","1.167","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058300","7.4201","0.0005","12.6297","0.0009","14.6868","0.0011","96.558","0.006","90.345","0.006","95.925","0.006","1359.82","0.17","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H15 Cl3 F5 N3 O3 S Se -","- C23 H15 Cl3 F5 N3 O3 S Se -","- C46 H30 Cl6 F10 N6 O6 S2 Se2 -","2","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.036","0.0312","","","0.0811","0.0831","","","","","","1.038","","","","has coordinates,has disorder","224918","2020-10-21","18:00:00",""
"7058301","9.4893","0.0008","10.2641","0.0009","13.4203","0.0011","104.147","0.014","95.793","0.013","98.24","0.013","1241.7","0.2","125","","125","","","","","","","","","8","P -1","-P 1","2","","","","- C24.5 H20 Cl F5 N2 O3 S Se -","- C24.5 H20 Cl F5 N2 O3 S Se -","- C49 H40 Cl2 F10 N4 O6 S2 Se2 -","2","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.1822","0.0758","","","0.1236","0.1592","","","","","","0.982","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058302","17.4151","0.0011","6.5384","0.0005","15.8481","0.0011","90","","109.85","0.003","90","","1697.4","0.2","125","","125","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F5 N2 O2 S Se -","- C15 H13 F5 N2 O2 S Se -","- C60 H52 F20 N8 O8 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0839","0.0413","","","0.0826","0.1012","","","","","","0.963","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058303","11.399","0.0007","11.8584","0.0008","15.0948","0.001","90","","93.183","0.006","90","","2037.3","0.2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br2 N2 O Se -","- C22 H14 Br2 N2 O Se -","- C88 H56 Br8 N8 O4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0448","0.0389","","","0.0998","0.1021","","","","","","1.029","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058304","6.1222","0.001","11.956","0.002","14.361","0.0018","90","","90","","90","","1051.2","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Br N2 -","- C10 H11 Br N2 -","- C40 H44 Br4 N8 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0358","0.025","","","0.0465","0.0482","","","","","","0.989","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058305","7.9086","0.0012","17.787","0.003","7.9416","0.0011","90","","91.047","0.005","90","","1117","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br N -","- C12 H14 Br N -","- C48 H56 Br4 N4 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0301","0.0229","","","0.0647","0.0819","","","","","","1.144","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058306","7.68","0.004","10.671","0.01","13.825","0.008","95.96","0.1","100.66","0.08","109.54","0.06","1032.4","1.4","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 F5 N4 O3 S Se2 -","- C15 H9 F5 N4 O3 S Se2 -","- C30 H18 F10 N8 O6 S2 Se4 -","2","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.136","0.0883","","","0.1942","0.2546","","","","","","1.108","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058307","13.9606","0.0004","11.0102","0.0003","16.3482","0.0005","90","","98.192","0.003","90","","2487.22","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl6 Fe N5 O P4 -","- C14 H17 Cl6 Fe N5 O P4 -","- C56 H68 Cl24 Fe4 N20 O4 P16 -","4","1","","Binici, Arzu; Okumuş, Aytuğ; Elmas, Gamze; Kılıç, Zeynel; Ramazanoğlu, Nagehan; Açık, Leyla; Şimşek, Hülya; Çağdaş Tunalı, Beste; Türk, Mustafa; Güzel, Remziye; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 42. The comparative syntheses of 2-cis-4-ansa(N/O) and spiro(N/O) cyclotetraphosphazene derivatives: spectroscopic and crystallographic characterization, antituberculosis and cytotoxic activity studies","New Journal of Chemistry","2019","43","18","6856","","10.1039/C9NJ00577C","","","0.71073","MoKα","","0.0604","0.0478","","","0.1209","0.1307","","","","","","1.052","","","","has coordinates","224920","2020-10-21","18:00:00",""
"7058308","25.367","0.0011","9.2268","0.0003","12.8639","0.0007","90","","90","","90","","3010.9","0.2","199.95","0.1","199.95","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H24 Mn2 N2 O6 S2 -","- C31 H24 Mn2 N2 O6 S2 -","- C124 H96 Mn8 N8 O24 S8 -","4","1","","Kumar, Udit; Jose, Shilpa; Divya, Dhanaraj; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Self-assembly of manganese(i) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies","New Journal of Chemistry","2019","43","19","7520","","10.1039/C8NJ06271D","","","0.71073","MoKα","","0.0542","0.0372","","","0.0948","0.1058","","","","","","1.0313","","","","has coordinates,has disorder","224835","2020-10-21","18:00:00",""
"7058309","11.2873","0.0005","18.2654","0.0009","17.1259","0.0006","90","","98.723","0.004","90","","3490","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Mn2 N2 O10 S2 -","- C36 H22 Mn2 N2 O10 S2 -","- C144 H88 Mn8 N8 O40 S8 -","4","1","","Kumar, Udit; Jose, Shilpa; Divya, Dhanaraj; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Self-assembly of manganese(i) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies","New Journal of Chemistry","2019","43","19","7520","","10.1039/C8NJ06271D","","","0.71073","MoKα","","0.0561","0.0375","","","0.0916","0.1028","","","","","","1.012","","","","has coordinates","224835","2020-10-21","18:00:00",""
"7058310","11.6906","0.0002","14.7229","0.0003","20.8244","0.0004","90","","104.952","0.002","90","","3462.93","0.12","200","0.14","200","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 Mn2 N2 O11 S2 -","- C34 H26 Mn2 N2 O11 S2 -","- C136 H104 Mn8 N8 O44 S8 -","4","1","","Kumar, Udit; Jose, Shilpa; Divya, Dhanaraj; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Self-assembly of manganese(i) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies","New Journal of Chemistry","2019","43","19","7520","","10.1039/C8NJ06271D","","","0.71073","MoKα","","0.0453","0.0306","","","0.0651","0.0709","","","","","","1.044","","","","has coordinates","224835","2020-10-21","18:00:00",""
"7058311","10.1178","0.0007","5.6743","0.0004","26.6419","0.0018","90","","94.613","0.001","90","","1524.59","0.18","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diphenyl diseleride 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C15 H10 F2 I Se2 -","- C15 H10 F2 I Se2 -","- C60 H40 F8 I4 Se8 -","4","1","","Torubaev, Yury V.; Rai, Dhirendra K.; Skabitsky, Ivan V.; Pakhira, Srimanta; Dmitrienko, Artem","Energy framework approach to the supramolecular reactions: interplay of the secondary bonding interaction in Ph2E2 (E = Se, Te)/p-I-C6F4-I co-crystals","New Journal of Chemistry","2019","43","21","7941","","10.1039/C9NJ00347A","","","0.71073","MoKα","","0.0322","0.0229","","","0.0461","0.0484","","","","","","1.0103","","","","has coordinates","224930","2020-10-21","18:00:00",""
"7058312","10.1451","0.0006","6.1237","0.0003","26.0712","0.0015","90","","91.241","0.001","90","","1619.31","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diphenyl ditelluride 1,4-diiodotetrafluorobenzene","","- C15 H10 F2 I Te2 -","- C15 H10 F2 I Te2 -","- C60 H40 F8 I4 Te8 -","4","1","","Torubaev, Yury V.; Rai, Dhirendra K.; Skabitsky, Ivan V.; Pakhira, Srimanta; Dmitrienko, Artem","Energy framework approach to the supramolecular reactions: interplay of the secondary bonding interaction in Ph2E2 (E = Se, Te)/p-I-C6F4-I co-crystals","New Journal of Chemistry","2019","43","21","7941","","10.1039/C9NJ00347A","","","0.71073","MoKα","","0.045","0.0287","","","0.0502","0.0546","","","","","","1.001","","","","has coordinates","224930","2020-10-21","18:00:00",""
"7058313","6.0977","0.0004","8.2774","0.0006","15.1568","0.001","90","","97.006","0.003","90","","759.3","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N6 O5 -","- C4 H2 N6 O5 -","- C16 H8 N24 O20 -","4","1","","Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei","C8N12O10: a promising energetic compound with excellent detonation performance and desirable sensitivity","New Journal of Chemistry","2019","43","20","7784","","10.1039/C9NJ00955H","","","0.71073","MoKα","","0.059","0.0363","","","0.0749","0.0831","","","","","","1.043","","","","has coordinates","224859","2020-10-21","18:00:00",""
"7058314","11.2116","0.0012","5.9944","0.0008","10.8652","0.0011","90","","95.429","0.004","90","","726.94","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 N12 O10 -","- C8 N12 O10 -","- C16 N24 O20 -","2","0.5","","Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei","C8N12O10: a promising energetic compound with excellent detonation performance and desirable sensitivity","New Journal of Chemistry","2019","43","20","7784","","10.1039/C9NJ00955H","","","0.71073","MoKα","","0.0764","0.0525","","","0.1229","0.1349","","","","","","1.051","","","","has coordinates","224859","2020-10-21","18:00:00",""
"7058315","6.6116","0.0002","12.1182","0.0005","15.0179","0.0007","110.945","0.004","98.955","0.003","92.334","0.003","1103.97","0.08","200","0.1","200","0.1","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","1","1","","Tănase, Constantin I.; Cocu, Florea; Drăghici, Constantin; Hanganu, Anamaria; Pintilie, Lucia; Maganu, Maria; Munteanu, Cristian V. A.; Shova, Sergiu","Secondary compounds in the catalytic hydrogenation of enone and allylic alcohol prostaglandin intermediates: isolation, characterization, and X-ray crystallography","New Journal of Chemistry","2019","43","20","7582","","10.1039/C9NJ01186B","","x-ray","0.71073","MoKα","","0.0533","0.0455","","","0.0931","0.0978","","","","","","1.029","","","","has coordinates","224858","2020-10-21","18:00:00",""
"7058316","7.6481","0.0017","30.186","0.004","6.7702","0.0006","90","","90","","90","","1563","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Tănase, Constantin I.; Cocu, Florea; Drăghici, Constantin; Hanganu, Anamaria; Pintilie, Lucia; Maganu, Maria; Munteanu, Cristian V. A.; Shova, Sergiu","Secondary compounds in the catalytic hydrogenation of enone and allylic alcohol prostaglandin intermediates: isolation, characterization, and X-ray crystallography","New Journal of Chemistry","2019","43","20","7582","","10.1039/C9NJ01186B","","x-ray","0.71073","MoKα","","0.1227","0.0804","","","0.1489","0.1731","","","","","","1.102","","","","has coordinates","224858","2020-10-21","18:00:00",""
"7058317","5.0286","0.0019","7.66","0.003","9.751","0.004","105.952","0.009","95.479","0.009","106.19","0.009","340.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","1","0.5","","Teotia, Meenu; Tarannum, Nazia; Chauhan, Mohit; Soni, Rakesh Kumar","Structure-based rational design, synthesis, crystal structure, DFT and molecular docking of 1,4-benzene dicarboxamide isomers with application as hardeners","New Journal of Chemistry","2019","43","21","7972","","10.1039/C9NJ01560D","","","0.71073","MoKα","","0.1157","0.0673","","","0.16","0.1922","","","","","","0.919","","","","has coordinates","224928","2020-10-21","18:00:00",""
"7058318","5.0619","0.0016","5.1565","0.0017","13.593","0.004","100.634","0.008","96.239","0.008","95.839","0.008","343.94","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O2 -","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","1","0.5","","Teotia, Meenu; Tarannum, Nazia; Chauhan, Mohit; Soni, Rakesh Kumar","Structure-based rational design, synthesis, crystal structure, DFT and molecular docking of 1,4-benzene dicarboxamide isomers with application as hardeners","New Journal of Chemistry","2019","43","21","7972","","10.1039/C9NJ01560D","","","0.71073","MoKα","","0.1386","0.0741","","","0.1488","0.172","","","","","","1.307","","","","has coordinates","224928","2020-10-21","18:00:00",""
"7058319","5.7302","0.0006","11.9227","0.0013","14.2404","0.0015","105.609","0.003","96.095","0.004","100.244","0.004","909.82","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Yadav, Richa; Rai, Abhishek; Sonkar, Avinash Kumar; Rai, Vipin; Gupta, Subash Chandra; Mishra, Lallan","A viscochromic, mechanochromic, and unsymmetrical azine for selective detection of Al3+ and Cu2+ ions and its mitotracking studies","New Journal of Chemistry","2019","43","18","7109","","10.1039/C8NJ06413J","","","0.71073","MoKα","","0.1164","0.0649","","","0.1402","0.1725","","","","","","1.032","","","","has coordinates","224919","2020-10-21","18:00:00",""
"7058320","12.28","0.003","12.69","0.003","21.636","0.004","90","","99.26","0.03","90","","3327.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N4 Pt2 S4 -","- C36 H24 N4 Pt2 S4 -","- C144 H96 N16 Pt8 S16 -","4","1","","Shahsavari, Hamid R.; Lalinde, Elena; Moreno, M. Teresa; Niazi, Maryam; Kazemi, Sayed Habib; Abedanzadeh, Sedigheh; Barazandeh, Mohammad; Halvagar, Mohammad Reza","Half-lantern cyclometalated Pt(ii) and Pt(iii) complexes with bridging heterocyclic thiolate ligands: synthesis, structural characterization, and electrochemical and photophysical properties","New Journal of Chemistry","2019","43","20","7716","","10.1039/C9NJ00969H","","","0.71073","MoKα","","0.0673","0.0273","","","0.044","0.0478","","","","","","0.622","","","","has coordinates","224865","2020-10-21","18:00:00",""
"7058321","10.492","0.002","24.782","0.005","13.53","0.003","90","","99.24","0.03","90","","3472.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl5 N6 Pt2 S2 -","- C31 H23 Cl5 N6 Pt2 S2 -","- C124 H92 Cl20 N24 Pt8 S8 -","4","1","","Shahsavari, Hamid R.; Lalinde, Elena; Moreno, M. Teresa; Niazi, Maryam; Kazemi, Sayed Habib; Abedanzadeh, Sedigheh; Barazandeh, Mohammad; Halvagar, Mohammad Reza","Half-lantern cyclometalated Pt(ii) and Pt(iii) complexes with bridging heterocyclic thiolate ligands: synthesis, structural characterization, and electrochemical and photophysical properties","New Journal of Chemistry","2019","43","20","7716","","10.1039/C9NJ00969H","","","0.71073","MoKα","","0.0802","0.0636","","","0.1529","0.1588","","","","","","0.993","","","","has coordinates","224865","2020-10-21","18:00:00",""
"7058322","11.0948","0.0001","12.455","0.0001","22.3878","0.0002","90","","97.151","0.001","90","","3069.61","0.05","100","5","100","5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B F4 N4 O4 S2 -","- C28 H33 B F4 N4 O4 S2 -","- C112 H132 B4 F16 N16 O16 S8 -","4","1","","Vlasenko, Marina P.; Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Khoroshilova, Olesya V.","Positively and negatively charged NHN hydrogen bonds in one molecule: synergistic strengthening effect, superbasicity and acetonitrile capture","New Journal of Chemistry","2019","43","20","7557","","10.1039/C9NJ00965E","","x-ray","1.54184","CuKα","","0.0508","0.0476","","","0.1344","0.1376","","","","","","1.047","","","","has coordinates","224863","2020-10-21","18:00:00",""
"7058323","9.6465","0.0018","16.788","0.003","18.275","0.004","90","","91.406","0.003","90","","2958.7","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,5-Bis(dimethylamino)-1,8-bis(p-toluenesulfonamido)naphthalene, zwitterion","","","- C30 H35 N5 O4 S2 -","- C30 H35 N5 O4 S2 -","- C120 H140 N20 O16 S8 -","4","1","","Vlasenko, Marina P.; Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Khoroshilova, Olesya V.","Positively and negatively charged NHN hydrogen bonds in one molecule: synergistic strengthening effect, superbasicity and acetonitrile capture","New Journal of Chemistry","2019","43","20","7557","","10.1039/C9NJ00965E","","","0.71073","MoKα","","0.0498","0.0398","","","0.1007","0.1106","","","","","","1.05","","","","has coordinates,has disorder","224863","2020-10-21","18:00:00",""
"7058324","11.8186","0.0002","9.1192","0.0002","22.4535","0.0005","90","","103.951","0.0008","90","","2348.57","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BBu2-HDHDP","","","- C23 H37 B N2 O2 -","- C23 H37 B N2 O2 -","- C92 H148 B4 N8 O8 -","4","1","","Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","New molecular design for blue BODIPYs","New Journal of Chemistry","2019","43","19","7233","","10.1039/C9NJ01114E","","","0.71073","MoKα","","0.0561","0.0441","","","0.114","0.1252","","","","","","1.04","","","","has coordinates,has disorder","224832","2020-10-21","18:00:00",""
"7058325","7.1235","0.0002","11.0063","0.0003","11.5158","0.0003","66.4695","0.0011","84.027","0.0012","83.5531","0.0013","820.83","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","BF2-BrDHDP","","","- C15 H18 B Br F2 N2 O2 -","- C15 H18 B Br F2 N2 O2 -","- C30 H36 B2 Br2 F4 N4 O4 -","2","1","","Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","New molecular design for blue BODIPYs","New Journal of Chemistry","2019","43","19","7233","","10.1039/C9NJ01114E","","","0.71073","MoKα","","0.0303","0.0237","","","0.0588","0.0608","","","","","","1.063","","","","has coordinates","224832","2020-10-21","18:00:00",""
"7058326","9.6838","0.0002","9.6838","0.0002","43.5738","0.0008","90","","90","","120","","3538.73","0.12","100","2","100","2","","","","","","","","6","P 65","P 65","170","BBu2-BrDHDP","","","- C23 H36 B Br N2 O2 -","- C23 H36 B Br N2 O2 -","- C138 H216 B6 Br6 N12 O12 -","6","1","","Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","New molecular design for blue BODIPYs","New Journal of Chemistry","2019","43","19","7233","","10.1039/C9NJ01114E","","","0.71073","MoKα","","0.0347","0.0331","","","0.0773","0.0779","","","","","","1.169","","","","has coordinates","224832","2020-10-21","18:00:00",""
"7058327","6.6907","0.0006","6.9985","0.0007","8.7933","0.0008","110.856","0.009","105.889","0.008","96.533","0.008","359.7","0.07","262","2","262","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 F4 O2 -","- C16 H14 F4 O2 -","- C16 H14 F4 O2 -","1","0.5","","Sharada, Durgam; Saha, Arijit; Saha, Binoy K.","Charge transfer complexes as colour changing and disappearing‒reappearing colour materials","New Journal of Chemistry","2019","43","20","7562","","10.1039/C9NJ00823C","","","0.71073","MoKα","","0.0586","0.0445","","","0.097","0.1165","","","","","","1.04","","","","has coordinates","224861","2020-10-21","18:00:00",""
"7058328","7.435","0.002","7.636","0.002","14.212","0.004","90","","95.87","0.02","90","","802.6","0.4","226","2","226","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O7 -","- C15 H15 N3 O7 -","- C30 H30 N6 O14 -","2","1","","Sharada, Durgam; Saha, Arijit; Saha, Binoy K.","Charge transfer complexes as colour changing and disappearing‒reappearing colour materials","New Journal of Chemistry","2019","43","20","7562","","10.1039/C9NJ00823C","","","0.71073","MoKα","","0.0678","0.0478","","","0.1173","0.1352","","","","","","1.044","","","","has coordinates","224861","2020-10-21","18:00:00",""
"7058329","10.0581","0.0005","10.7355","0.0004","15.7163","0.0008","90","","94.294","0.004","90","","1692.26","0.14","226","0.14","226","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","","Sharada, Durgam; Saha, Arijit; Saha, Binoy K.","Charge transfer complexes as colour changing and disappearing‒reappearing colour materials","New Journal of Chemistry","2019","43","20","7562","","10.1039/C9NJ00823C","","","0.71073","MoKα","","0.0824","0.066","","","0.1755","0.1855","","","","","","1.089","","","","has coordinates","224861","2020-10-21","18:00:00",""
"7058330","6.6927","0.0014","7.6784","0.0014","7.7214","0.0014","106.506","0.016","105.114","0.017","107.889","0.018","334.68","0.14","262","0.02","262","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 F4 O2 -","- C16 H8 F4 O2 -","- C16 H8 F4 O2 -","1","0.5","","Sharada, Durgam; Saha, Arijit; Saha, Binoy K.","Charge transfer complexes as colour changing and disappearing‒reappearing colour materials","New Journal of Chemistry","2019","43","20","7562","","10.1039/C9NJ00823C","","","0.71073","MoKα","","0.0884","0.0549","","","0.1671","0.1903","","","","","","1.087","","","","has coordinates","224861","2020-10-21","18:00:00",""
"7058331","14.1553","0.0018","6.89","0.0007","15.942","0.002","90","","96.683","0.012","90","","1544.3","0.3","262","0.02","262","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 O6 -","- C16 H11 N3 O6 -","- C64 H44 N12 O24 -","4","1","","Sharada, Durgam; Saha, Arijit; Saha, Binoy K.","Charge transfer complexes as colour changing and disappearing‒reappearing colour materials","New Journal of Chemistry","2019","43","20","7562","","10.1039/C9NJ00823C","","","0.71073","MoKα","","0.1136","0.0694","","","0.193","0.2315","","","","","","1.045","","","","has coordinates","224861","2020-10-21","18:00:00",""
"7058332","9.6116","0.0005","21.6883","0.0012","7.1486","0.0004","90","","90","","90","","1490.19","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita38-2","","","- C14 H16 Br N O4 -","- C14 H16 Br N O4 -","- C56 H64 Br4 N4 O16 -","4","1","","Fujita, Hikaru; Jing, Haoyu; Krayer, Michael; Allu, Srinivasarao; Veeraraghavaiah, Gorre; Wu, Zhiyuan; Jiang, Jianbing; Diers, James R.; Magdaong, Nikki Cecil M.; Mandal, Amit K.; Roy, Arpita; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","Annulated bacteriochlorins for near-infrared photophysical studies","New Journal of Chemistry","2019","43","19","7209","","10.1039/C9NJ01113G","","","0.71073","MoKα","","0.0531","0.04","","","0.0898","0.0938","","","","","","1.138","","","","has coordinates","224837","2020-10-21","18:00:00",""
"7058333","15.767","0.0004","7.3416","0.0002","18.1519","0.0004","90","","94.7904","0.001","90","","2093.83","0.09","121","2","121","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GVR-DHDP-NaEt","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Fujita, Hikaru; Jing, Haoyu; Krayer, Michael; Allu, Srinivasarao; Veeraraghavaiah, Gorre; Wu, Zhiyuan; Jiang, Jianbing; Diers, James R.; Magdaong, Nikki Cecil M.; Mandal, Amit K.; Roy, Arpita; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","Annulated bacteriochlorins for near-infrared photophysical studies","New Journal of Chemistry","2019","43","19","7209","","10.1039/C9NJ01113G","","","0.71073","MoKα","","0.0724","0.0476","","","0.1138","0.1264","","","","","","1.022","","","","has coordinates","224837","2020-10-21","18:00:00",""
"7058334","13.0158","0.0003","8.1799","0.0002","14.3232","0.0003","90","","94.106","0.0009","90","","1521.05","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ZW50 Pd-DHDP","","","- C30 H36 Br2 N4 O4 Pd -","- C30 H36 Br2 N4 O4 Pd -","- C60 H72 Br4 N8 O8 Pd2 -","2","0.5","","Fujita, Hikaru; Jing, Haoyu; Krayer, Michael; Allu, Srinivasarao; Veeraraghavaiah, Gorre; Wu, Zhiyuan; Jiang, Jianbing; Diers, James R.; Magdaong, Nikki Cecil M.; Mandal, Amit K.; Roy, Arpita; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","Annulated bacteriochlorins for near-infrared photophysical studies","New Journal of Chemistry","2019","43","19","7209","","10.1039/C9NJ01113G","","","0.71073","MoKα","","0.0211","0.0174","","","0.0421","0.0431","","","","","","1.045","","","","has coordinates","224837","2020-10-21","18:00:00",""
"7058335","16.974","0.003","9.8965","0.0016","17.603","0.003","90","","98.327","0.008","90","","2925.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O2 Pt2 S2 -","- C32 H34 N2 O2 Pt2 S2 -","- C128 H136 N8 O8 Pt8 S8 -","4","1","","Nahaei, Asma; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Hoseini, S. Jafar; Abu-Omar, Mahdi M.","Arene C‒H bond activation and methane formation by a methylplatinum(ii) complex: experimental and theoretical elucidation of the mechanism","New Journal of Chemistry","2019","43","21","8005","","10.1039/C9NJ01968E","","","0.71073","MoKα","","0.0461","0.0306","","","0.0427","0.0455","","","","","","1.105","","","","has coordinates","224929","2020-10-21","18:00:00",""
"7058336","12.3998","0.0006","20.2013","0.0008","28.1694","0.0012","90","","90.927","0.001","90","","7055.3","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Cl2 Cu3 Dy2 N16 O14 -","- C56 H78 Cl2 Cu3 Dy2 N16 O14 -","- C224 H312 Cl8 Cu12 Dy8 N64 O56 -","4","1","","Chen, Yong; Long, Qiao-Qiao; Hu, Zhao-Bo; Wang, Hui-Sheng; Huang, Zhi-Yong; Chen, Wei; Song, You; Zhang, Zai-Chao; Yang, Feng-Jun","Synthesis, crystal structures and magnetic properties of a series of pentanuclear heterometallic [CuII3LnIII2] (Ln = Ho, Dy, and Gd) complexes containing mixed organic ligands","New Journal of Chemistry","2019","43","21","8101","","10.1039/C9NJ00892F","","","0.71073","MoKα","","0.0959","0.0531","","","0.0903","0.0982","","","","","","1.034","","","","has coordinates","224937","2020-10-21","18:00:00",""
"7058337","12.3998","0.0006","20.2013","0.0008","28.1694","0.0012","90","","90.927","0.001","90","","7055.3","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H81 Cl2 Cu3 Gd2 N17 O14 -","- C58 H81 Cl2 Cu3 Gd2 N17 O14 -","- C232 H324 Cl8 Cu12 Gd8 N68 O56 -","4","1","","Chen, Yong; Long, Qiao-Qiao; Hu, Zhao-Bo; Wang, Hui-Sheng; Huang, Zhi-Yong; Chen, Wei; Song, You; Zhang, Zai-Chao; Yang, Feng-Jun","Synthesis, crystal structures and magnetic properties of a series of pentanuclear heterometallic [CuII3LnIII2] (Ln = Ho, Dy, and Gd) complexes containing mixed organic ligands","New Journal of Chemistry","2019","43","21","8101","","10.1039/C9NJ00892F","","","0.71073","MoKα","","0.1204","0.0702","","","0.099","0.1078","","","","","","1.076","","","","has coordinates","224937","2020-10-21","18:00:00",""
"7058338","12.3525","0.0004","20.1759","0.0008","28.1711","0.0011","90","","91.018","0.001","90","","7019.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H83 Cl2 Cu3 Ho2 N17 O15 -","- C58 H81 Cl2.002 Cu3 Ho2 N17 O14.268 -","- C232 H324 Cl8.008 Cu12 Ho8 N68 O57.072 -","4","1","","Chen, Yong; Long, Qiao-Qiao; Hu, Zhao-Bo; Wang, Hui-Sheng; Huang, Zhi-Yong; Chen, Wei; Song, You; Zhang, Zai-Chao; Yang, Feng-Jun","Synthesis, crystal structures and magnetic properties of a series of pentanuclear heterometallic [CuII3LnIII2] (Ln = Ho, Dy, and Gd) complexes containing mixed organic ligands","New Journal of Chemistry","2019","43","21","8101","","10.1039/C9NJ00892F","","","0.71073","MoKα","","0.0826","0.0466","","","0.0762","0.0832","","","","","","1.028","","","","has coordinates,has disorder","224937","2020-10-21","18:00:00",""
"7058339","10.936","0.005","16.122","0.005","18.503","0.005","83.009","0.005","72.837","0.005","88.972","0.005","3093.3","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H116 Cl4 Mo4 N20 O3 P2 S16 -","- C102 H116 Cl4 Mo4 N20 O3 P2 S16 -","- C102 H116 Cl4 Mo4 N20 O3 P2 S16 -","1","0.5","","Moula, Golam; Bose, Moumita; Sarkar, Sabyasachi","Structurally characterized one oxo‒desoxo bridged Mo2‒bis(dithiolene) complex and its interconversion to a discrete oxo or desoxo DMSOR model","New Journal of Chemistry","2019","43","21","8332","","10.1039/C9NJ01020C","","","0.71069","MoKα","","0.0891","0.0637","","","0.1664","0.2031","","","","","","1.047","","","","has coordinates","224931","2020-10-21","18:00:00",""
"7058340","8.177","0.003","22.891","0.007","10.113","0.002","90","","117.87","0.02","90","","1673.4","0.9","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl2 Fe N3 O4 -","- C14 H14 Cl2 Fe N3 O4 -","- C56 H56 Cl8 Fe4 N12 O16 -","4","1","","Li, Yueqin; Li, Yun; Yang, Zhiwei; Meng, Fantao; Wang, Nana; Zhou, Minya; Xia, Zongbiao; Gong, Qiang; Gao, Qinwei","Distinct supramolecular assemblies of Fe(iii) and Ni(ii) complexes constructed from the o-vanillin salicylhydrazone ligand: syntheses, crystal structures, DNA/protein interaction, and antioxidant and cytotoxic activity","New Journal of Chemistry","2019","43","21","8024","","10.1039/C8NJ06530F","","","0.71073","MoKα","","0.0587","0.0416","","","0.1034","0.1219","","","","","","1.092","","","","has coordinates","224933","2020-10-21","18:00:00",""
"7058341","12.2869","0.0008","21.9321","0.0011","24.0672","0.0013","90","","102.135","0.002","90","","6340.6","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 N10 Ni2 O6 -","- C52 H38 N10 Ni2 O6 -","- C208 H152 N40 Ni8 O24 -","4","1","","Li, Yueqin; Li, Yun; Yang, Zhiwei; Meng, Fantao; Wang, Nana; Zhou, Minya; Xia, Zongbiao; Gong, Qiang; Gao, Qinwei","Distinct supramolecular assemblies of Fe(iii) and Ni(ii) complexes constructed from the o-vanillin salicylhydrazone ligand: syntheses, crystal structures, DNA/protein interaction, and antioxidant and cytotoxic activity","New Journal of Chemistry","2019","43","21","8024","","10.1039/C8NJ06530F","","","0.71073","MoKα","","0.0942","0.0656","","","0.1695","0.1838","","","","","","1.107","","","","has coordinates","224933","2020-10-21","18:00:00",""
"7058342","9.4358","0.0017","9.7889","0.0019","18.948","0.004","91.365","0.006","94.352","0.006","114.451","0.005","1585.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15.5 H16 I1.5 N P0.5 Ru0.5 -","- C15.5 H16 I1.5 N P0.5 Ru0.5 -","- C62 H64 I6 N4 P2 Ru2 -","4","2","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0286","0.0218","","","0.0444","0.0467","","","","","","1.047","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058343","13.86","0.0006","13.9831","0.0007","18.9389","0.0009","90","","93.545","0.002","90","","3663.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 F6 N2 P2 Ru -","- C38 H38 Cl2 F6 N2 P2 Ru -","- C152 H152 Cl8 F24 N8 P8 Ru4 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0678","0.0532","","","0.178","0.1895","","","","","","1.535","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058344","16.1278","0.0008","12.2682","0.0005","12.5817","0.0006","90","","90","","90","","2489.4","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14.67 H24 Cl1.33 N2.67 O0.67 -","- C14.6667 H24 Cl1.33333 N2.66667 O0.666667 -","- C88 H144 Cl8 N16 O4 -","6","0.75","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0508","0.0375","","","0.1212","0.1319","","","","","","1.025","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058345","16.2788","0.0015","9.1026","0.0009","19.875","0.002","90","","96.086","0.003","90","","2928.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F6 N2 P2 Ru -","- C31 H32 F6 N2 P2 Ru -","- C124 H128 F24 N8 P8 Ru4 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0449","0.0307","","","0.0617","0.0666","","","","","","1.045","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058346","11.0881","0.0007","13.1574","0.0008","14.6115","0.0008","113.867","0.002","95.538","0.002","111.568","0.002","1735.89","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 F6 N2 P2 Ru -","- C38 H38 F6 N2 P2 Ru -","- C76 H76 F12 N4 P4 Ru2 -","2","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0442","0.0367","","","0.1216","0.1288","","","","","","1.096","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058347","9.931","0.007","14.018","0.01","14.536","0.01","102.99","0.02","104.958","0.018","98.9","0.02","1856","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 As2 Cl3 Ru -","- C42 H37 As2 Cl3 Ru -","- C84 H74 As4 Cl6 Ru2 -","2","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0415","0.0264","","","0.0482","0.0524","","","","","","1.037","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058348","18.0319","0.0009","13.2824","0.0006","29.0663","0.0014","90","","99.842","0.002","90","","6859.1","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 F6 N2 P2 Ru -","- C34 H36 F6 N2 P2 Ru -","- C272 H288 F48 N16 P16 Ru8 -","8","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.039","0.0351","","","0.0824","0.0842","","","","","","1.132","","","","has coordinates","224696","2020-10-21","18:00:00",""
"7058349","9.91","0.002","24.91","0.005","15.236","0.003","90","","108.51","0.03","90","","3566.6","1.4","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C150 H148 As4 Cl4 F24 N8 P4 Ru4 -","- C150 H148 As4 Cl4 F24 N8 P4 Ru4 -","- C150 H148 As4 Cl4 F24 N8 P4 Ru4 -","1","0.5","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé","Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes","New Journal of Chemistry","2019","43","22","8472","","10.1039/C9NJ01220F","","","0.71073","MoKα","","0.0344","0.0289","","","0.0588","0.0613","","","","","","0.866","","","","has coordinates,has disorder","224696","2020-10-21","18:00:00",""
"7058350","18.8546","0.0002","9.6665","0.0001","10.3076","0.0003","90","","93.9343","0.0006","90","","1874.22","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Fe N4 O -","- C21 H20 Fe N4 O -","- C84 H80 Fe4 N16 O4 -","4","1","","Swetha, Yagnam; Reddy, Eda Rami; Kumar, Jakku Ranjith; Trivedi, Rajiv; Giribabu, Lingamallu; Sridhar, Balasubramanian; Rathod, Balaji; Prakasham, Reddy Shetty","Synthesis, characterization and antimicrobial evaluation of ferrocene‒oxime ether benzyl 1H-1,2,3-triazole hybrids","New Journal of Chemistry","2019","43","21","8341","","10.1039/C9NJ00660E","","","0.71073","MoKα","","0.0741","0.043","","","0.0837","0.0925","","","","","","1.032","","","","has coordinates","224934","2020-10-21","18:00:00",""
"7058351","5.0217","0.0011","27.895","0.006","15.205","0.003","90","","97.057","0.005","90","","2113.8","0.8","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 N12 O6 -","- C16 H16 N12 O6 -","- C64 H64 N48 O24 -","4","1","","Ma, Jinchao; Zhang, Guojie; Gu, Hao; Tang, Jie; Wang, Bohan; Yang, Hongwei; Cheng, Guangbin","Polynitro-1,2,4-triazole-functionalized azo-furazans as high-performance and insensitive energetic materials","New Journal of Chemistry","2019","43","21","8370","","10.1039/C9NJ01065C","","","0.71073","MoKα","","0.0895","0.0487","","","0.1008","0.1192","","","","","","1.009","","","","has coordinates,has disorder","224932","2020-10-21","18:00:00",""
"7058352","25.773","0.008","25.773","0.008","16.667","0.003","90","","90","","90","","11071","5","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C27 H27 Cl N2 O8 -","- C27 H27 Cl N2 O8 -","- C432 H432 Cl16 N32 O128 -","16","","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chaoguo","[3+2] cycloaddition reaction for synthesis of spiro[indoline-3,3'-pyrrolidines] and evaluation of cytotoxicity to cancer cells","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00994A","","","0.71073","MoKα","","0.161","0.0934","","","0.2354","0.2871","","","","","","1.014","","","","has coordinates,has disorder","214929","2020-10-21","18:00:00",""
"7058353","10.6495","0.0011","25.655","0.003","12.0494","0.0014","90","","104.351","0.003","90","","3189.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cl N2 O8 -","- C34 H33 Cl N2 O8 -","- C136 H132 Cl4 N8 O32 -","4","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chaoguo","[3+2] cycloaddition reaction for synthesis of spiro[indoline-3,3'-pyrrolidines] and evaluation of cytotoxicity to cancer cells","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00994A","","","0.71073","MoKα","","0.2284","0.0801","","","0.1182","0.1524","","","","","","1.007","","","","has coordinates","214929","2020-10-21","18:00:00",""
"7058354","11.0078","0.0016","25.498","0.004","11.128","0.0014","90","","109.121","0.004","90","","2951.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl N2 O9 -","- C29 H31 Cl N2 O9 -","- C116 H124 Cl4 N8 O36 -","4","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chaoguo","[3+2] cycloaddition reaction for synthesis of spiro[indoline-3,3'-pyrrolidines] and evaluation of cytotoxicity to cancer cells","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00994A","","","0.71073","MoKα","","0.1677","0.0689","","","0.1188","0.1454","","","","","","1.01","","","","has coordinates","214929","2020-10-21","18:00:00",""
"7058355","9.9465","0.0005","10.2626","0.0006","15.9359","0.0008","97.8891","0.0016","103.611","0.0015","110.414","0.0017","1438.11","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C66 H64 N4 O16 -","2","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chaoguo","[3+2] cycloaddition reaction for synthesis of spiro[indoline-3,3'-pyrrolidines] and evaluation of cytotoxicity to cancer cells","New Journal of Chemistry","2019","","","","","10.1039/C9NJ00994A","","","0.71073","MoKα","","0.0918","0.0585","","","0.142","0.159","","","","","","1.033","","","","has coordinates","214929","2020-10-21","18:00:00",""
"7058356","14.9021","0.0008","15.4352","0.001","15.5643","0.001","80.276","0.003","67.618","0.004","68.757","0.003","3083.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H110 Gd4 N14 O16 -","- C140 H110 Gd4 N14 O16 -","- C140 H110 Gd4 N14 O16 -","1","0.5","","Yu, Hong; Yang, Jia-Xing; Han, Ju-Qing; Li, Peng-Fei; Hou, Yin-Ling; Wang, Wen-Min; Fang, Ming","Tetranuclear lanthanide complexes showing magnetic refrigeration and single molecule magnet behavior","New Journal of Chemistry","2019","43","21","8067","","10.1039/C8NJ05109G","","","0.71073","MoKα","","0.1415","0.0909","","","0.222","0.2668","","","","","","1.073","","","","has coordinates","224935","2020-10-21","18:00:00",""
"7058357","14.9151","0.0007","15.4503","0.0008","15.5107","0.0008","80.272","0.003","67.467","0.003","68.699","0.002","3074.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H110 N14 O16 Tb4 -","- C140 H110 N14 O16 Tb4 -","- C140 H110 N14 O16 Tb4 -","1","0.5","","Yu, Hong; Yang, Jia-Xing; Han, Ju-Qing; Li, Peng-Fei; Hou, Yin-Ling; Wang, Wen-Min; Fang, Ming","Tetranuclear lanthanide complexes showing magnetic refrigeration and single molecule magnet behavior","New Journal of Chemistry","2019","43","21","8067","","10.1039/C8NJ05109G","","","0.71073","MoKα","","0.0938","0.0478","","","0.087","0.0982","","","","","","1.01","","","","has coordinates","224935","2020-10-21","18:00:00",""
"7058358","13.7157","0.0006","16.2542","0.0008","17.1198","0.0007","87.098","0.002","89.37","0.003","86.006","0.002","3802.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H104 Dy4 N12 O16 -","- C136 H104 Dy4 N12 O16 -","- C136 H104 Dy4 N12 O16 -","1","0.5","","Yu, Hong; Yang, Jia-Xing; Han, Ju-Qing; Li, Peng-Fei; Hou, Yin-Ling; Wang, Wen-Min; Fang, Ming","Tetranuclear lanthanide complexes showing magnetic refrigeration and single molecule magnet behavior","New Journal of Chemistry","2019","43","21","8067","","10.1039/C8NJ05109G","","","0.71073","MoKα","","0.0948","0.0455","","","0.0935","0.1067","","","","","","1.033","","","","has coordinates","224935","2020-10-21","18:00:00",""
"7058359","17.1258","0.0003","17.3229","0.0003","18.96","0.0013","103.853","0.007","107.388","0.008","94.941","0.007","5135.6","0.5","85","","85","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H71.396 Dy Ga4 N13 O21 -","- C96 H71.4 Dy Ga4 N13 O21 -","- C192 H142.8 Dy2 Ga8 N26 O42 -","2","1","","Jiang, Xiao-Feng; Chen, Ming-Guang; Tong, Jia-Ping; Shao, Feng","A mononuclear dysprosium(iii) single-molecule magnet with a non-planar metallacrown","New Journal of Chemistry","2019","43","22","8704","","10.1039/C9NJ01662G","","","1.54178","CuKα","","0.0805","0.0793","","","0.2383","0.2402","","","","","","0.9828","","","","has coordinates","224694","2020-10-21","18:00:00",""
"7058360","33.9621","0.0019","9.8508","0.0005","19.6801","0.0009","90","","90","","90","","6584.1","0.6","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H31 Cu Fe O P2 S2 -","- C36 H31 Cu Fe O P2 S2 -","- C288 H248 Cu8 Fe8 O8 P16 S16 -","8","2","","Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions","New Journal of Chemistry","2019","43","23","8939","","10.1039/C9NJ01551E","","","0.71073","MoKα","","0.1465","0.0867","","","0.1052","0.1236","","","","","","0.977","","","","has coordinates","224923","2020-10-21","18:00:00",""
"7058361","12.8039","0.0013","12.9993","0.0012","13.5744","0.0015","88.922","0.009","67.762","0.01","61.724","0.01","1805.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H67 Cu2 N O2 P4 S4 -","- C81 H67 Cu2 N O2 P4 S4 -","- C81 H67 Cu2 N O2 P4 S4 -","1","0.5","","Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions","New Journal of Chemistry","2019","43","23","8939","","10.1039/C9NJ01551E","","","0.71073","MoKα","","0.1515","0.0795","","","0.1529","0.1832","","","","","","0.959","","","","has coordinates,has disorder","224923","2020-10-21","18:00:00",""
"7058362","10.547","0.0006","13.7265","0.0008","14.6677","0.001","109.967","0.006","101.706","0.005","94.358","0.005","1929.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 Cu O3 P2 S2 -","- C45 H37 Cu O3 P2 S2 -","- C90 H74 Cu2 O6 P4 S4 -","2","1","","Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions","New Journal of Chemistry","2019","43","23","8939","","10.1039/C9NJ01551E","","","0.71073","MoKα","","0.0645","0.0475","","","0.1065","0.1141","","","","","","1.032","","","","has coordinates","224923","2020-10-21","18:00:00",""
"7058363","10.3449","0.0005","12.7287","0.0007","15.8185","0.0009","70.758","0.005","85.568","0.005","78.127","0.005","1924.4","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H72 Cl2 Cu2 O3 P4 S4 -","- C83 H70 Cl2 Cu2 O3 P4 S4 -","- C83 H70 Cl2 Cu2 O3 P4 S4 -","1","0.5","","Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions","New Journal of Chemistry","2019","43","23","8939","","10.1039/C9NJ01551E","","","0.71073","MoKα","","0.0924","0.0648","","","0.1878","0.2129","","","","","","0.94","","","","has coordinates,has disorder","224923","2020-10-21","18:00:00",""
"7058364","13.0078","0.001","15.774","0.0013","36.114","0.003","90","","91.427","0.002","90","","7407.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80.5 H73 Cl Cu2 O3 P4 S4 -","- C80.5 H71 Cl Cu2 O3 P4 S4 -","- C322 H284 Cl4 Cu8 O12 P16 S16 -","4","1","","Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions","New Journal of Chemistry","2019","43","23","8939","","10.1039/C9NJ01551E","","","0.71073","MoKα","","0.1816","0.085","","","0.2166","0.2439","","","","","","1.043","","","","has coordinates","224923","2020-10-21","18:00:00",""
"7058365","8.691","0.004","12.924","0.006","18.497","0.009","94.765","0.008","102.429","0.008","92.407","0.007","2018.1","1.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 F6 Ir N4 P S2 -","- C44 H30 F6 Ir N4 P S2 -","- C88 H60 F12 Ir2 N8 P2 S4 -","2","1","","Su, Ning; Yang, Hui-Qing; Zheng, You-Xuan; Chen, Zhao-Xu","Sulfur atom containing ligands induced rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for OLEDs","New Journal of Chemistry","2019","43","22","8722","","10.1039/C9NJ01599J","","","0.71073","MoKα","","0.0397","0.0316","","","0.0719","0.075","","","","","","1.019","","","","has coordinates,has disorder","224695","2020-10-21","18:00:00",""
"7058366","24.7841","0.0009","20.5732","0.0008","8.1565","0.0003","90","","90","","90","","4158.9","0.3","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C100 H62 F12 Ir2 N8 O P2 S4 -","- C100 H62 F12 Ir2 N8 O P2 S4 -","- C200 H124 F24 Ir4 N16 O2 P4 S8 -","2","0.5","","Su, Ning; Yang, Hui-Qing; Zheng, You-Xuan; Chen, Zhao-Xu","Sulfur atom containing ligands induced rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for OLEDs","New Journal of Chemistry","2019","43","22","8722","","10.1039/C9NJ01599J","","","0.71073","MoKα","","0.038","0.0323","","","0.0832","0.0865","","","","","","1.031","","","","has coordinates,has disorder","224695","2020-10-21","18:00:00",""
"7058367","11.149","0.002","13.306","0.003","15.211","0.003","81.578","0.003","87.381","0.003","71.177","0.003","2112.8","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H37 Cl3 O4 -","- C53 H37 Cl3 O4 -","- C106 H74 Cl6 O8 -","2","1","","Johnson, Matthew A.; Tabasi, Zahra A.; Zhao, Yuming","Tuning alkynyl-extended 9,10-dihydroanthracene-based systems into aggregation-induced emission (AIE) luminophores","New Journal of Chemistry","2019","43","21","8325","","10.1039/C8NJ05655B","","","0.71073","MoKα","","0.1386","0.0576","","","0.1216","0.1598","","","","","","0.988","","","","has coordinates","224936","2020-10-21","18:00:00",""
"7058368","8.5811","0.0001","16.8286","0.0003","17.0367","0.0003","81.6064","0.0009","75.5209","0.0008","77.4936","0.0011","2314.57","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","5,5',5'',5'''-(anthracene-9,10-diylidenedipenta-1,4-diyne-1,5-diyl-3-ylidene)tetrakis(2,2-dimethyl-1,3-benzodioxole)","","- C60 H44 O8 -","- C60 H44 O8 -","- C120 H88 O16 -","2","1","","Johnson, Matthew A.; Tabasi, Zahra A.; Zhao, Yuming","Tuning alkynyl-extended 9,10-dihydroanthracene-based systems into aggregation-induced emission (AIE) luminophores","New Journal of Chemistry","2019","43","21","8325","","10.1039/C8NJ05655B","","","1.54178","CuKα","","0.0475","0.0409","","","0.1093","0.1146","","","","","","1.039","","","","has coordinates","224936","2020-10-21","18:00:00",""
"7058369","12.661","0.003","5.8589","0.0016","7.325","0.002","90","","90","","90","","543.4","0.2","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca F K2 O4 P -","- Ca F K2 O4 P -","- Ca4 F4 K8 O16 P4 -","4","0.5","","Chai, Kun; Cheng, Shichao; Li, Hongyi; Dai, Bin","Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A2MPO4F (A = K, Rb; M = Ba, Ca)","New Journal of Chemistry","2019","43","20","7839","","10.1039/C9NJ01051C","","","0.71073","MoKα","","0.0751","0.0727","","","0.1725","0.1735","","","","","","1.247","","","","has coordinates","224864","2020-10-21","18:00:00",""
"7058370","12.895","0.009","5.97","0.004","7.436","0.005","90","","90","","90","","572.4","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca F O4 P Rb2 -","- Ca F O4 P Rb2 -","- Ca4 F4 O16 P4 Rb8 -","4","0.5","","Chai, Kun; Cheng, Shichao; Li, Hongyi; Dai, Bin","Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A2MPO4F (A = K, Rb; M = Ba, Ca)","New Journal of Chemistry","2019","43","20","7839","","10.1039/C9NJ01051C","","","0.71073","MoKα","","0.0293","0.0218","","","0.0468","0.0504","","","","","","1.01","","","","has coordinates","224864","2020-10-21","18:00:00",""
"7058371","10.621","0.016","11.489","0.017","6.534","0.01","90","","90","","90","","797","2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K O9 -","- B3 Ca4 K O9 -","- B12 Ca16 K4 O36 -","4","0.5","","Ren, Peng; Yang, Yun; Li, Hao; Yang, Zhihua; Pan, Shilie","Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges","New Journal of Chemistry","2019","43","24","9354","","10.1039/C9NJ01680E","","","0.71073","MoKα","","0.0745","0.0686","","","0.1699","0.1742","","","","","","1.082","","","","has coordinates","224685","2020-10-21","18:00:00",""
"7058372","10.62","0.006","11.543","0.006","6.523","0.003","90","","90","","90","","799.6","0.7","296","2","296","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- B3 Ca4 K0.59 O9 Rb0.41 -","- B3 Ca4 K0.588 O9 Rb0.412 -","- B12 Ca16 K2.352 O36 Rb1.648 -","4","0.5","","Ren, Peng; Yang, Yun; Li, Hao; Yang, Zhihua; Pan, Shilie","Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges","New Journal of Chemistry","2019","43","24","9354","","10.1039/C9NJ01680E","","","0.71073","MoKα","","0.0455","0.038","","","0.0806","0.0836","","","","","","1.031","","","","has coordinates","224685","2020-10-21","18:00:00",""
"7058373","6.0703","0.0007","25.477","0.003","15.023","0.002","90","","100.821","0.005","90","","2282","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O3 -","- C25 H34 N2 O3 -","- C100 H136 N8 O12 -","4","1","","Kazem-Rostami, Masoud","Optically active and photoswitchable Tröger's base analogs","New Journal of Chemistry","2019","43","20","7751","","10.1039/C9NJ01372E","","","0.71073","MoKα","","0.0698","0.0552","","","0.142","0.1513","","","","","","1.087","","","","has coordinates","224862","2020-10-21","18:00:00",""
"7058374","8.3185","0.0006","9.3562","0.0007","11.345","0.0008","84.54","0.004","69.51","0.004","68.012","0.004","766.3","0.1","273","2","273.15","","","","","","","","","4","P 1","P 1","1","","","","- C20 H20.5 N0.5 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","2","","Kazem-Rostami, Masoud","Optically active and photoswitchable Tröger's base analogs","New Journal of Chemistry","2019","43","20","7751","","10.1039/C9NJ01372E","","","0.71073","MoKα","","0.0903","0.0643","","","0.1811","0.2121","","","","","","0.933","","","","has coordinates","224862","2020-10-21","18:00:00",""
"7058375","11.2448","0.0014","10.0674","0.0013","24.394","0.003","90","","93.663","0.002","90","","2755.9","0.6","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H15 N3 Ni O6 -","- C24 H15 N3 Ni O6 -","- C96 H60 N12 Ni4 O24 -","4","1","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping","Fluorescence sensing and magnetic properties of three coordination polymers based on 6-(3,5-dicarboxylphenyl)nicotinic acid and pyridine/imidazole linkers","New Journal of Chemistry","2019","43","24","9376","","10.1039/C9NJ00682F","","","0.71073","MoKα","","0.1241","0.0569","","","0.1174","0.1414","","","","","","0.909","","","","has coordinates,has disorder","224684","2020-10-21","18:00:00",""
"7058376","14.0116","0.0018","19.843","0.003","15.3662","0.0019","90","","108.191","0.003","90","","4058.8","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H80 Cu3 N16 O20 -","- C76 H80 Cu3 N16 O20 -","- C152 H160 Cu6 N32 O40 -","2","0.5","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping","Fluorescence sensing and magnetic properties of three coordination polymers based on 6-(3,5-dicarboxylphenyl)nicotinic acid and pyridine/imidazole linkers","New Journal of Chemistry","2019","43","24","9376","","10.1039/C9NJ00682F","","","0.71073","MoKα","","0.0961","0.0599","","","0.1584","0.1818","","","","","","1.028","","","","has coordinates","224684","2020-10-21","18:00:00",""
"7058377","10.107","0.005","13.46","0.008","23.318","0.014","92.653","0.007","95.757","0.009","109.755","0.006","2960","3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H94 N18 Ni3 O21 -","- C112 H94 N18 Ni3 O21 -","- C112 H94 N18 Ni3 O21 -","1","0.5","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping","Fluorescence sensing and magnetic properties of three coordination polymers based on 6-(3,5-dicarboxylphenyl)nicotinic acid and pyridine/imidazole linkers","New Journal of Chemistry","2019","43","24","9376","","10.1039/C9NJ00682F","","","0.7107","MoKα","","0.1601","0.0627","","","0.1441","0.1821","","","","","","0.902","","","","has coordinates,has disorder","224684","2020-10-21","18:00:00",""
"7058378","27.298","0.003","9.3728","0.0005","16.0877","0.0015","90","","122.05","0.013","90","","3488.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O2 P Se -","- C18 H15 N2 O2 P Se -","- C144 H120 N16 O16 P8 Se8 -","8","1","","Harinath, Adimulam; Bhattacharjee, Jayeeta; Sarkar, Alok; Panda, Tarun K.","Alkali metal complex-mediated ring-opening polymerization of rac-LA, ε-caprolactone, and δ-valerolactone","New Journal of Chemistry","2019","43","23","8882","","10.1039/C9NJ01130G","","","1.54184","CuKα","","0.048","0.0385","","","0.0985","0.1056","","","","","","1.023","","","","has coordinates","224922","2020-10-21","18:00:00",""
"7058379","9.9424","0.0017","15.5693","0.0007","10.617","0.005","90","","113.65","0.04","90","","1505.4","0.9","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H38 F N Na O3 P Se -","- C30 H38 F N Na O3 P Se -","- C60 H76 F2 N2 Na2 O6 P2 Se2 -","2","1","","Harinath, Adimulam; Bhattacharjee, Jayeeta; Sarkar, Alok; Panda, Tarun K.","Alkali metal complex-mediated ring-opening polymerization of rac-LA, ε-caprolactone, and δ-valerolactone","New Journal of Chemistry","2019","43","23","8882","","10.1039/C9NJ01130G","","","0.71073","MoKα","","0.0401","0.0358","","","0.0878","0.0912","","","","","","1.08","","","","has coordinates,has disorder","224922","2020-10-21","18:00:00",""
"7058380","23.0533","0.0011","8.7675","0.0004","31.156","0.0014","90","","93.251","0.004","90","","6287.1","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","iPr-BTP-Pd complex","","- C23 H31 N9 O6 Pd -","- C23 H31 N9 O6 Pd -","- C184 H248 N72 O48 Pd8 -","8","2","","Xu, Lei; Zhang, Anyun; Pu, Ning; Lu, Yanchao; Yang, Hua; Liu, Ziyang; Ji, Yanqin","Unusual complexation behaviors of R-BTPs with water molecule and Pd(ii) caused by electronic modulation of substituents on BTP backbone: new insights into palladium separation under the framework of minor actinides’ partitioning","New Journal of Chemistry","2019","43","23","9052","","10.1039/C9NJ00343F","","","0.71073","MoKα","","0.1035","0.0677","","","0.1511","0.1696","","","","","","1.131","","","","has coordinates,has disorder","224926","2020-10-21","18:00:00",""
"7058381","13.5131","0.0006","16.9916","0.0005","26.0514","0.001","90","","90","","90","","5981.6","0.4","172","","172","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","subt-BTP","","- C27 H41 N7 O -","- C27 H41 N7 O -","- C216 H328 N56 O8 -","8","1","","Xu, Lei; Zhang, Anyun; Pu, Ning; Lu, Yanchao; Yang, Hua; Liu, Ziyang; Ji, Yanqin","Unusual complexation behaviors of R-BTPs with water molecule and Pd(ii) caused by electronic modulation of substituents on BTP backbone: new insights into palladium separation under the framework of minor actinides’ partitioning","New Journal of Chemistry","2019","43","23","9052","","10.1039/C9NJ00343F","","","0.71073","MoKα","","0.0952","0.0699","","","0.1928","0.2166","","","","","","1.026","","","","has coordinates,has disorder","224926","2020-10-21","18:00:00",""
"7058382","15.3819","0.0015","6.8739","0.0005","20.223","0.0018","90","","103.817","0.009","90","","2076.4","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","c1-BTP","","- C15 H27 N7 O6 -","- C15 H27 N7 O6 -","- C60 H108 N28 O24 -","4","1","","Xu, Lei; Zhang, Anyun; Pu, Ning; Lu, Yanchao; Yang, Hua; Liu, Ziyang; Ji, Yanqin","Unusual complexation behaviors of R-BTPs with water molecule and Pd(ii) caused by electronic modulation of substituents on BTP backbone: new insights into palladium separation under the framework of minor actinides’ partitioning","New Journal of Chemistry","2019","43","23","9052","","10.1039/C9NJ00343F","","","0.71073","MoKα","","0.0854","0.0537","","","0.1283","0.1525","","","","","","1.028","","","","has coordinates","224926","2020-10-21","18:00:00",""
"7058383","16.0776","0.0013","8.4467","0.0005","17.6595","0.0015","90","","100.91","0.007","90","","2354.9","0.3","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ipr-BTP","","- C23 H33 N7 O -","- C23 H33 N7 O -","- C92 H132 N28 O4 -","4","1","","Xu, Lei; Zhang, Anyun; Pu, Ning; Lu, Yanchao; Yang, Hua; Liu, Ziyang; Ji, Yanqin","Unusual complexation behaviors of R-BTPs with water molecule and Pd(ii) caused by electronic modulation of substituents on BTP backbone: new insights into palladium separation under the framework of minor actinides’ partitioning","New Journal of Chemistry","2019","43","23","9052","","10.1039/C9NJ00343F","","","0.71073","MoKα","","0.0914","0.0565","","","0.1375","0.1615","","","","","","1.033","","","","has coordinates","224926","2020-10-21","18:00:00",""
"7058384","11.7204","0.0005","17.1714","0.0008","28.6443","0.0014","90","","90","","90","","5764.8","0.5","296","2","296","2","","","","","","","synthetic","5","P b c a","-P 2ac 2ab","61","3, 3?-carbonylbis (7-diethylaminocoumarin)","3, 3?-carbonylbis (7-diethylaminocoumarin)","","- C28 H29 Cl3 N2 O5 -","- C28 H29 Cl3 N2 O5 -","- C224 H232 Cl24 N16 O40 -","8","1","","Ramamurthy, Kannan; Malar, E. J. Padma; Selvaraju, Chellappan","Hydrogen bonded dimers of ketocoumarin in the solid state and alcohol:water binary solvent: fluorescence spectroscopy, crystal structure and DFT investigation","New Journal of Chemistry","2019","43","23","9090","","10.1039/C9NJ01053J","","","0.71073","MoKα","","0.0596","0.0506","","","0.1383","0.1525","","","","","","1.08","","","","has coordinates,has disorder","224927","2020-10-21","18:00:00",""
"7058385","13.956","0.009","15.246","0.007","15.246","0.007","77.91","","62.76","","62.76","","2564","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","4","","Purkait, Rakesh; Sinha, Chittaranjan","Solvent-tuned discriminant sensing of Al3+, Mg2+ and HF2− by vanilinyl-picolinyl hydrazide Schiff base","New Journal of Chemistry","2019","43","25","9815","","10.1039/C9NJ00325H","","","0.71073","MoKα","","0.178","0.1076","","","0.2497","0.3265","","","","","","0.915","","","","has coordinates","224853","2020-10-21","18:00:00",""
"7058386","7.167","0.002","24.911","0.009","8.898","0.003","90","","94.712","0.014","90","","1583.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(3Z)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Maryam; Jabeen, Farah; Khan, Haroon Ahmed; Yasin, Khawaja Ansar; Tahir, Muhammad Nawaz; Franconetti, Antonio; Frontera, Antonio","On the importance of antiparallel π‒π interactions in the solid state of isatin-based hydrazides","New Journal of Chemistry","2019","43","21","8122","","10.1039/C9NJ00405J","","","0.71073","MoKα","","0.1252","0.061","","","0.1474","0.1796","","","","","","1.034","","","","has coordinates,has disorder","224938","2020-10-21","18:00:00",""
"7058387","7.7416","0.0013","8.6214","0.0017","13.993","0.002","98.324","0.005","104.603","0.008","107.114","0.007","839.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-N'-[(3E)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C38 H38 N6 O4 -","2","1","","Ahmed, Muhammad Naeem; Arif, Maryam; Jabeen, Farah; Khan, Haroon Ahmed; Yasin, Khawaja Ansar; Tahir, Muhammad Nawaz; Franconetti, Antonio; Frontera, Antonio","On the importance of antiparallel π‒π interactions in the solid state of isatin-based hydrazides","New Journal of Chemistry","2019","43","21","8122","","10.1039/C9NJ00405J","","","0.71073","MoKα","","0.0774","0.0473","","","0.1184","0.139","","","","","","1.027","","","","has coordinates","224938","2020-10-21","18:00:00",""
"7058388","14.4085","0.0013","7.0847","0.0005","17.8231","0.0014","90","","111.465","0.005","90","","1693.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(3Z)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]-2-phenylacetohydrazide","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Maryam; Jabeen, Farah; Khan, Haroon Ahmed; Yasin, Khawaja Ansar; Tahir, Muhammad Nawaz; Franconetti, Antonio; Frontera, Antonio","On the importance of antiparallel π‒π interactions in the solid state of isatin-based hydrazides","New Journal of Chemistry","2019","43","21","8122","","10.1039/C9NJ00405J","","","0.71073","MoKα","","0.1205","0.0669","","","0.1769","0.2136","","","","","","1.036","","","","has coordinates,has disorder","224938","2020-10-21","18:00:00",""
"7058389","7.9365","0.0008","19.667","0.002","10.929","0.0012","90","","93.512","0.004","90","","1702.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-N'-[(3Z)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide","","- C18 H16 Br N3 O2 -","- C18 H16 Br N3 O2 -","- C72 H64 Br4 N12 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Maryam; Jabeen, Farah; Khan, Haroon Ahmed; Yasin, Khawaja Ansar; Tahir, Muhammad Nawaz; Franconetti, Antonio; Frontera, Antonio","On the importance of antiparallel π‒π interactions in the solid state of isatin-based hydrazides","New Journal of Chemistry","2019","43","21","8122","","10.1039/C9NJ00405J","","","0.71073","MoKα","","0.1143","0.0505","","","0.1127","0.1338","","","","","","1.008","","","","has coordinates","224938","2020-10-21","18:00:00",""
"7058390","6.977","0.002","9.0505","0.0012","23.689","0.003","90","","93.725","0.005","90","","1492.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(3Z)-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Ahmed, Muhammad Naeem; Arif, Maryam; Jabeen, Farah; Khan, Haroon Ahmed; Yasin, Khawaja Ansar; Tahir, Muhammad Nawaz; Franconetti, Antonio; Frontera, Antonio","On the importance of antiparallel π‒π interactions in the solid state of isatin-based hydrazides","New Journal of Chemistry","2019","43","21","8122","","10.1039/C9NJ00405J","","","0.71073","MoKα","","0.1855","0.0723","","","0.1981","0.2557","","","","","","1.038","","","","has coordinates,has disorder","224938","2020-10-21","18:00:00",""
"7058391","5.572","0.0003","23.2361","0.0009","10.607","0.0004","90","","98.807","0.004","90","","1357.11","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N'-[(E)-(2-nitrophenyl)methylidene]benzenesulfonohydrazide","N'-[(E)-(2-nitrophenyl)methylidene]benzenesulfonohydrazide","","- C13 H11 N3 O4 S -","- C13 H11 N3 O4 S -","- C52 H44 N12 O16 S4 -","4","1","","Rahman, Mohammed M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Awual, Md. Rabiul; Asiri, Abdullah M.","Arsenic sensor development based on modified with (E)-N'-(2-Nitrobenzylidine)-benzenesulfonohydrazide: A real sample analysis","New Journal of Chemistry","2019","43","23","9066","9075","10.1039/c9nj01567a","","","0.7107","MoKα","","0.0665","0.0441","","","0.0973","0.1106","","","","","","1.024","","","","has coordinates","218754","2020-10-21","18:00:00",""
"7058392","12.6315","0.001","13.3343","0.0011","16.1671","0.0013","73.647","0.007","69.4","0.008","87.385","0.007","2441.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Co1.5 N9 O14 -","- C52 H42 Co1.5 N9 O14 -","- C104 H84 Co3 N18 O28 -","2","1","","Dong, Zhen-Peng; Zhao, Jiao-Jiao; Liu, Peng-Yu; Liu, Zhi-Liang; Wang, Yan-Qin","A metal‒organic framework constructed by a viologen-derived ligand: photochromism and discernible detection of volatile amine vapors","New Journal of Chemistry","2019","43","23","9032","","10.1039/C9NJ01380F","","","1.54184","CuKα","","0.0945","0.0668","","","0.1653","0.1855","","","","","","1.05","","","","has coordinates,has disorder","224924","2020-10-21","18:00:00",""
"7058393","11.516","0.0003","13.994","0.0003","14.674","0.0002","91.47","0.001","99.155","0.001","91.943","0.001","2332.17","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H49 Cu5 N4 Na4 O31.5 P4 -","- C20 H49 Cu5 N4 Na4 O31.5 P4 -","- C40 H98 Cu10 N8 Na8 O63 P8 -","2","1","","Ostrowska, Malgorzata; Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta","Complex formation of copper(ii), nickel(ii) and zinc(ii) with ethylophosphonoacetohydroxamic acid: solution speciation, synthesis and structural characterization","New Journal of Chemistry","2019","43","26","10237","","10.1039/C9NJ01175G","","","0.71073","MoKα","","0.0667","0.0438","","","0.1062","0.1163","","","","","","1.031","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7058394","9.7384","0.0002","12.0645","0.0002","14.2492","0.0003","90","","90.418","0.001","90","","1674.08","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N3 O7 P -","- C14 H20 Cu N3 O7 P -","- C56 H80 Cu4 N12 O28 P4 -","4","1","","Ostrowska, Malgorzata; Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta","Complex formation of copper(ii), nickel(ii) and zinc(ii) with ethylophosphonoacetohydroxamic acid: solution speciation, synthesis and structural characterization","New Journal of Chemistry","2019","43","26","10237","","10.1039/C9NJ01175G","","","0.71073","MoKα","","0.0388","0.0301","","","0.0729","0.0776","","","","","","1.048","","","","has coordinates","224792","2020-10-21","18:00:00",""
"7058395","8.8368","0.0005","9.9857","0.0006","16.3956","0.0009","91.165","0.002","103.967","0.003","92.411","0.002","1402.06","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H51 Cu4 N9 O25 -","- C46 H44 Cu4 N8 O24 -","- C46 H44 Cu4 N8 O24 -","1","0.5","","Karmakar, Anirban; Soliman, Mohamed M. A.; Alegria, Elisabete C. B. A.; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","A copper-amidocarboxylate based metal organic macrocycle and framework: synthesis, structure and catalytic activities towards microwave assisted alcohol oxidation and Knoevenagel reactions","New Journal of Chemistry","2019","43","25","9843","","10.1039/C9NJ02064K","","","0.71073","MoKα","","0.0621","0.0466","","","0.1195","0.1304","","","","","","1.037","","","","has coordinates,has disorder","224848","2020-10-21","18:00:00",""
"7058396","9.1236","0.0008","15.7177","0.0014","19.9209","0.0017","90","","93.27","0.002","90","","2852","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cu N5 O8 -","- C24 H20 Cu N4 O7 -","- C96 H80 Cu4 N16 O28 -","4","1","","Karmakar, Anirban; Soliman, Mohamed M. A.; Alegria, Elisabete C. B. A.; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","A copper-amidocarboxylate based metal organic macrocycle and framework: synthesis, structure and catalytic activities towards microwave assisted alcohol oxidation and Knoevenagel reactions","New Journal of Chemistry","2019","43","25","9843","","10.1039/C9NJ02064K","","","0.71073","MoKα","","0.1104","0.0541","","","0.1089","0.1314","","","","","","1.001","","","","has coordinates","224848","2020-10-21","18:00:00",""
"7058397","8.2643","0.001","13.2989","0.0017","25.004","0.003","90","","91.276","0.0017","90","","2747.4","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Tetraethylammonium chloro(pyridyl-4-sulfonate)bis(dimethylglyoximato)cobalt(III) methanol","Tetraethylammonium chloro(pyridyl-4-sulfonate)bis(dimethylglyoximato)cobalt(III) methanol","","- C20 H38 Cl Co N6 O8 S -","- C20 H38 Cl Co N6 O8 S -","- C80 H152 Cl4 Co4 N24 O32 S4 -","4","1","","Kato, Masaru; Kon, Keita; Hirayama, Jun; Yagi, Ichizo","Host‒guest chemistry between cyclodextrin and a hydrogen evolution catalyst cobaloxime","New Journal of Chemistry","2019","43","25","10087","","10.1039/C9NJ00081J","","","0.71073","MoKα","","0.1253","0.0542","","","0.1154","0.1582","","","","","","0.996","","","","has coordinates","224856","2020-10-21","18:00:00",""
"7058398","10.6072","0.0006","10.6659","0.0006","18.7874","0.0013","99.689","0.0015","104.181","0.002","101.966","0.002","1961.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 F2 O8 Sn4 Te2 -","- C24 H46 F2 O8 Sn4 Te2 -","- C48 H92 F4 O16 Sn8 Te4 -","2","1","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.0491","0.0337","","","0.0806","0.0874","","","","","","0.994","","","","has coordinates,has disorder","224686","2020-10-21","18:00:00",""
"7058399","18.3382","0.0016","18.3305","0.0017","23.521","0.002","90","","97.649","0.001","90","","7836.2","1.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C84 H66 F6 O8 Sn4 Te2 -","- C84 H66 F6 O8 Sn4 Te2 -","- C336 H264 F24 O32 Sn16 Te8 -","4","1","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.1331","0.0561","","","0.1342","0.172","","","","","","0.933","","","","has coordinates","224686","2020-10-21","18:00:00",""
"7058400","9.8591","0.0009","16.1963","0.0014","12.9897","0.0011","90","","106.543","0.002","90","","1988.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 F6 O8 Sn4 Te2 -","- C24 H42 F6 O8 Sn4 Te2 -","- C48 H84 F12 O16 Sn8 Te4 -","2","0.5","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.0756","0.0479","","","0.1169","0.1355","","","","","","1.053","","","","has coordinates","224686","2020-10-21","18:00:00",""
"7058401","16.755","0.0015","20.4506","0.0019","23.043","0.002","90","","90","","90","","7895.7","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 F2 O8 Sn4 Te2 -","- C84 H70 F2 O8 Sn4 Te2 -","- C336 H280 F8 O32 Sn16 Te8 -","4","0.5","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.1058","0.0566","","","0.0974","0.1172","","","","","","1.086","","","","has coordinates,has disorder","224686","2020-10-21","18:00:00",""
"7058402","12.127","0.0011","13.2661","0.0012","13.9876","0.0013","105.314","0.002","113.956","0.003","92.557","0.001","1953.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 F4 O8 Sn4 Te2 -","- C24 H44 F4 O8 Sn4 Te2 -","- C48 H88 F8 O16 Sn8 Te4 -","2","1","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.126","0.076","","","0.183","0.2098","","","","","","0.901","","","","has coordinates,has disorder","224686","2020-10-21","18:00:00",""
"7058403","13.705","0.0013","13.707","0.0012","14.2301","0.0014","65.165","0.002","64.435","0.003","73.152","0.003","2169.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 F4 O8 Sn4 Te2 -","- C84 H68 F4 O8 Sn4 Te2 -","- C84 H68 F4 O8 Sn4 Te2 -","1","0.5","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.076","0.0414","","","0.0999","0.1179","","","","","","1.084","","","","has coordinates,has disorder","224686","2020-10-21","18:00:00",""
"7058404","5.6795","0.0005","28.701","0.003","7.8681","0.0007","90","","90.117","0.002","90","","1282.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O3 S -","- C16 H10 N2 O3 S -","- C64 H40 N8 O12 S4 -","4","1","","Wang, Rong; Ding, Ju; Zhang, Yanrong","Naphthalimide/benzimide-based excited-state intramolecular proton transfer active luminogens: aggregation-induced enhanced emission and potential for chemical modification","New Journal of Chemistry","2019","43","23","9152","","10.1039/C9NJ01685F","","","0.71073","MoKα","","0.0913","0.0623","","","0.1607","0.1735","","","","","","1.025","","","","has coordinates","224925","2020-10-21","18:00:00",""
"7058405","28.836","0.002","10.533","0.0008","7.2981","0.0005","90","","103.099","0.003","90","","2159","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N5 O3.5 -","- C8 H12 N5 O3.5 -","- C64 H96 N40 O28 -","8","1","","García-Raso, Angel; Terrón, Angel; López-Zafra, Adela; García-Viada, Andrés; Barta, Agostina; Frontera, Antonio; Lorenzo, Julia; Rodríguez-Calado, Sergi; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules","New Journal of Chemistry","2019","43","24","9680","","10.1039/C9NJ02279A","","","0.71073","MoKα","","0.0555","0.0486","","","0.1359","0.142","","","","","","1.081","","","","has coordinates","224683","2020-10-21","18:00:00",""
"7058406","11.973","0.0014","12.7692","0.0014","14.834","0.0018","90","","95.582","0.004","90","","2257.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N5 O4 -","- C9 H15 N5 O4 -","- C72 H120 N40 O32 -","8","2","","García-Raso, Angel; Terrón, Angel; López-Zafra, Adela; García-Viada, Andrés; Barta, Agostina; Frontera, Antonio; Lorenzo, Julia; Rodríguez-Calado, Sergi; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules","New Journal of Chemistry","2019","43","24","9680","","10.1039/C9NJ02279A","","","0.71073","MoKα","","0.1017","0.0602","","","0.135","0.1551","","","","","","1.023","","","","has coordinates","224683","2020-10-21","18:00:00",""
"7058407","5.739","0.0003","9.8258","0.0005","10.4109","0.0005","72.819","0.002","85.079","0.002","85.218","0.002","557.77","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Cl N5 O2 -","- C9 H12 Cl N5 O2 -","- C18 H24 Cl2 N10 O4 -","2","1","","García-Raso, Angel; Terrón, Angel; López-Zafra, Adela; García-Viada, Andrés; Barta, Agostina; Frontera, Antonio; Lorenzo, Julia; Rodríguez-Calado, Sergi; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules","New Journal of Chemistry","2019","43","24","9680","","10.1039/C9NJ02279A","","","0.71073","MoKα","","0.036","0.0308","","","0.0708","0.0732","","","","","","1.09","","","","has coordinates","224683","2020-10-21","18:00:00",""
"7058408","4.4865","0.0003","18.9802","0.0013","11.8656","0.0007","90","","98.716","0.002","90","","998.74","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl N5 O2 -","- C8 H10 Cl N5 O2 -","- C32 H40 Cl4 N20 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; López-Zafra, Adela; García-Viada, Andrés; Barta, Agostina; Frontera, Antonio; Lorenzo, Julia; Rodríguez-Calado, Sergi; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid adenine-β-alanine and adenine-GABA molecules","New Journal of Chemistry","2019","43","24","9680","","10.1039/C9NJ02279A","","","0.71073","MoKα","","0.0334","0.0307","","","0.075","0.0763","","","","","","1.116","","","","has coordinates","224683","2020-10-21","18:00:00",""
"7058409","7.387","0.0001","9.4146","0.0002","36.6094","0.0006","90","","90","","90","","2546.02","0.08","149.9","0.3","149.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Fe N4 O9 -","- C25 H30 Fe N4 O9 -","- C100 H120 Fe4 N16 O36 -","4","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0336","0.0311","","","0.076","0.0794","","","","","","1.025","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058410","7.2219","0.0002","8.0816","0.0002","39.3464","0.0009","90","","90","","90","","2296.43","0.1","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N3 O6 -","- C25 H29 Fe N3 O6 -","- C100 H116 Fe4 N12 O24 -","4","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0315","0.0299","","","0.0711","0.0718","","","","","","1.061","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058411","7.9733","0.0002","7.1751","0.0002","20.4219","0.0006","90","","90.648","0.002","90","","1168.25","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 F Fe N3 O6 -","- C25 H28 F Fe N3 O6 -","- C50 H56 F2 Fe2 N6 O12 -","2","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0402","0.0377","","","0.092","0.0939","","","","","","1.084","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058412","48.634","0.006","5.7205","0.0003","13.3273","0.0009","90","","95.447","0.008","90","","3691.1","0.6","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H23 Fe N3 O5 -","- C19 H23 Fe N3 O5 -","- C152 H184 Fe8 N24 O40 -","8","2","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.056","0.051","","","0.1354","0.1422","","","","","","1.026","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058413","5.646","0.0001","11.2718","0.0002","34.72","0.0005","90","","90","","90","","2209.6","0.06","150","0.5","150","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N4 O5 -","- C24 H26 Fe N4 O5 -","- C96 H104 Fe4 N16 O20 -","4","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0351","0.0324","","","0.0816","0.0853","","","","","","1.07","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058414","12.74","0.007","20.52","0.02","18.556","0.013","90","","108.41","0.014","90","","4603","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 N10 O8 Zn3 -","- C42 H56 N10 O8 Zn3 -","- C168 H224 N40 O32 Zn12 -","4","1","","Karmakar, Mainak; Roy, Sourav; Chattopadhyay, Shouvik","A series of trinuclear zinc(ii) complexes with reduced Schiff base ligands: turn-off fluorescent chemosensors with high selectivity for nitroaromatics","New Journal of Chemistry","2019","43","25","10093","","10.1039/C9NJ02060H","","","0.71073","MoKα","","0.066","0.0412","","","0.1092","0.1345","","","","","","1.066","","","","has coordinates","224854","2020-10-21","18:00:00",""
"7058415","11.4208","0.0009","23.0367","0.0019","18.509","0.0015","90","","94.515","0.003","90","","4854.6","0.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N6 O8 S2 Zn3 -","- C44 H56 N6 O8 S2 Zn3 -","- C176 H224 N24 O32 S8 Zn12 -","4","0.5","","Karmakar, Mainak; Roy, Sourav; Chattopadhyay, Shouvik","A series of trinuclear zinc(ii) complexes with reduced Schiff base ligands: turn-off fluorescent chemosensors with high selectivity for nitroaromatics","New Journal of Chemistry","2019","43","25","10093","","10.1039/C9NJ02060H","","","0.71073","MoKα","","0.0592","0.035","","","0.1","0.1289","","","","","","1.125","","","","has coordinates,has disorder","224854","2020-10-21","18:00:00",""
"7058416","13.067","0.011","19.975","0.018","19.078","0.017","90","","90.45","0.02","90","","4979","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N6 O8 S2 Zn3 -","- C44 H56 N6 O8 S2 Zn3 -","- C176 H224 N24 O32 S8 Zn12 -","4","1","","Karmakar, Mainak; Roy, Sourav; Chattopadhyay, Shouvik","A series of trinuclear zinc(ii) complexes with reduced Schiff base ligands: turn-off fluorescent chemosensors with high selectivity for nitroaromatics","New Journal of Chemistry","2019","43","25","10093","","10.1039/C9NJ02060H","","","0.71073","MoKα","","0.0663","0.0444","","","0.117","0.1326","","","","","","1.049","","","","has coordinates","224854","2020-10-21","18:00:00",""
"7058417","11.9361","0.001","13.7707","0.0012","18.3168","0.0017","110.594","0.003","91.305","0.003","115.224","0.003","2496","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H61 N8 O7 Zn3 -","- C42 H56 N10 O8 Zn3 -","- C84 H112 N20 O16 Zn6 -","2","1","","Karmakar, Mainak; Roy, Sourav; Chattopadhyay, Shouvik","A series of trinuclear zinc(ii) complexes with reduced Schiff base ligands: turn-off fluorescent chemosensors with high selectivity for nitroaromatics","New Journal of Chemistry","2019","43","25","10093","","10.1039/C9NJ02060H","","","0.71073","MoKα","","0.0449","0.0327","","","0.0945","0.1048","","","","","","0.765","","","","has coordinates","224854","2020-10-21","18:00:00",""
"7058418","12.3742","0.0009","12.7296","0.001","19.1476","0.0015","93.822","0.002","95.517","0.002","116.614","0.002","2663.6","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H60 Cl2 N10 O8 Zn3 -","- C47 H60 Cl2 N10 O8 Zn3 -","- C94 H120 Cl4 N20 O16 Zn6 -","2","1","","Karmakar, Mainak; Roy, Sourav; Chattopadhyay, Shouvik","A series of trinuclear zinc(ii) complexes with reduced Schiff base ligands: turn-off fluorescent chemosensors with high selectivity for nitroaromatics","New Journal of Chemistry","2019","43","25","10093","","10.1039/C9NJ02060H","","","0.71073","MoKα","","0.0401","0.0349","","","0.1098","0.1176","","","","","","1.115","","","","has coordinates","224854","2020-10-21","18:00:00",""
"7058419","15.9182","0.001","10.3031","0.0006","17.9521","0.001","90","","98.911","0.003","90","","2908.7","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 B F2 N2 O -","- C33 H35 B F2 N2 O -","- C132 H140 B4 F8 N8 O4 -","4","1","","Sun, Jingbo; Yang, Hao; Simalou, Oudjaniyobi; Lv, Kuo; Zhai, Lu; Zhao, Jinyu; Lu, Ran","Mechanofluorochromic behaviors of triphenylamine functionalized salicylaldimine difluoroboron complexes","New Journal of Chemistry","2019","43","25","10134","","10.1039/C9NJ02410G","","","0.71073","MoKα","","0.0524","0.0422","","","0.1081","0.1154","","","","","","1.02","","","","has coordinates","224846","2020-10-21","18:00:00",""
"7058420","7.3583","0.0001","29.4166","0.0005","7.9008","0.0001","90","","90","","90","","1710.18","0.04","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 Cl4 N4 Pd -","- C14 H12 Cl4 N4 Pd -","- C56 H48 Cl16 N16 Pd4 -","4","0.5","","Patra, Sarat Chandra; Saha Roy, Amit; Banerjee, Saswati; Banerjee, Ananya; Das Saha, Krishna; Bhadra, Ranjan; Pramanik, Kausikisankar; Ghosh, Prasanta","Palladium(ii) and platinum(ii) complexes of glyoxalbis(N-aryl)osazone: molecular and electronic structures, anti-microbial activities and DNA-binding study","New Journal of Chemistry","2019","43","25","9891","","10.1039/C9NJ00223E","","","0.71073","MoKα","","0.0426","0.0379","","","0.0806","0.0827","","","","","","1.28","","","","has coordinates","224852","2020-10-21","18:00:00",""
"7058421","28.6797","0.001","7.9654","0.0003","7.5874","0.0003","90","","90","","90","","1733.31","0.11","568","2","568","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H12 Cl4 N4 Pt -","- C14 H12 Cl4 N4 Pt -","- C56 H48 Cl16 N16 Pt4 -","4","0.5","","Patra, Sarat Chandra; Saha Roy, Amit; Banerjee, Saswati; Banerjee, Ananya; Das Saha, Krishna; Bhadra, Ranjan; Pramanik, Kausikisankar; Ghosh, Prasanta","Palladium(ii) and platinum(ii) complexes of glyoxalbis(N-aryl)osazone: molecular and electronic structures, anti-microbial activities and DNA-binding study","New Journal of Chemistry","2019","43","25","9891","","10.1039/C9NJ00223E","","","0.71073","MoKα","","0.0393","0.0385","","","0.1107","0.1114","","","","","","1.064","","","","has coordinates","224852","2020-10-21","18:00:00",""
"7058422","23.1326","0.001","23.1326","0.001","14.8376","0.0008","90","","90","","90","","7939.9","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C56 H40 Ag4 Mo12 N16 O40 Si -","- C56 H40 Ag4 Mo12 N16 O40 Si -","- C224 H160 Ag16 Mo48 N64 O160 Si4 -","4","","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0447","0.03","","","0.0682","0.0747","","","","","","1.032","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7058423","9.95","0.0004","10.9308","0.0005","11.5504","0.0005","77.595","0.001","88.009","0.001","84.133","0.001","1220.38","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Mo4 N4 O13 Zn -","- C18 H12 Mo4 N4 O13 Zn -","- C36 H24 Mo8 N8 O26 Zn2 -","2","1","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0241","0.0196","","","0.0509","0.0528","","","","","","1.024","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7058424","11.6469","0.0004","8.9674","0.0003","21.533","0.0008","90","","96.359","0.001","90","","2235.12","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cu Mo4 N4 O14 -","- C14 H10 Cu Mo4 N4 O14 -","- C56 H40 Cu4 Mo16 N16 O56 -","4","1","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0303","0.0228","","","0.0503","0.0529","","","","","","1.025","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7058425","11.1837","0.0009","11.3592","0.0009","11.6938","0.001","89.784","0.002","65.05","0.002","68.883","0.002","1237.03","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Ag2 Mo4 N4 O13 -","- C18 H12 Ag2 Mo4 N4 O13 -","- C36 H24 Ag4 Mo8 N8 O26 -","2","1","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0778","0.04","","","0.0653","0.0768","","","","","","0.972","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7058426","10.247","0.004","10.682","0.004","11.424","0.005","78.004","0.007","88.814","0.007","84.759","0.007","1218","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cu Mo4 N4 O13 -","- C18 H12 Cu Mo4 N4 O13 -","- C36 H24 Cu2 Mo8 N8 O26 -","2","1","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0963","0.049","","","0.1069","0.1284","","","","","","0.984","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7058427","20.9697","0.0008","20.9697","0.0008","22.6321","0.001","90","","90","","120","","8618.7","0.6","293","2","293","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C28 H28 Cu2 Mo12 N8 O44 Si -","- C28 H28 Cu2 Mo12 N8 O44 Si -","- C168 H168 Cu12 Mo72 N48 O264 Si6 -","6","0.5","","Tian, Aixiang; Fu, Yubo; Cui, Hongtao; Ying, Jun; Yang, Mengle; Yang, Yan; Wang, Xiuli","A series of metal-organic loops templated by [SiMo12O40]4- and [β-Mo8O26]4- anions by using double chelate ligands: amperometric sensoring and selective photocatalytic properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02224D","","","0.71073","MoKα","","0.0708","0.0556","","","0.1186","0.1293","","","","","","1.036","","","","has coordinates","215561","2020-10-21","18:00:00",""
"7058428","15.715","0.002","15.803","0.002","8.4108","0.001","90","","100.922","0.006","90","","2050.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","1","","Sankar, Balakrishnan; Harikrishnan, Muniyasamy; Raja, Ranganathan; Sadhasivam, Velu; Malini, Nelson; Murugesan, Sepperumal; Siva, Ayyanar","Design of a simple and efficient synthesis for bioactive novel pyrazolyl‒isoxazoline hybrids","New Journal of Chemistry","2019","43","26","10458","","10.1039/C9NJ01532A","","","0.71073","MoKα","","0.0786","0.0468","","","0.146","0.187","","","","","","0.737","","","","has coordinates","224794","2020-10-21","18:00:00",""
"7058429","10.3072","0.0004","10.3072","0.0004","45.528","0.003","90","","90","","120","","4188.8","0.4","120","2","120","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C30 Cl54 K12 N60 Pb51 -","- C30 Cl54 K12.03 N60 Pb50.97 -","- C30 Cl54 K12.03 N60 Pb50.97 -","1","0.0277778","","Meng, Xianghe; Liang, Fei; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Chloride carbodiimide K12Pb51(CN2)30Cl54 with an unprecedented 45 Å unit cell axis and a large birefringence","New Journal of Chemistry","2019","43","25","9766","","10.1039/C9NJ01298B","","","0.71073","MoKα","","0.0221","0.0217","","","0.0527","0.053","","","","","","1.162","","","","has coordinates","224855","2020-10-21","18:00:00",""
"7058430","25.6122","0.0005","25.6122","0.0005","22.0939","0.0005","90","","90","","90","","14493.3","0.5","130","2","130","2","","","","","","","","5","I 4/m","-I 4","87","","","","- H0 Nb3.68 O238 P8 W48 -","- Nb3.68 O238 P8 W48 -","- Nb7.36 O476 P16 W96 -","2","0.125","","Shmakova, Alexandra A.; Volchek, Victoria V.; Yanshole, Vadim; Kompankov, Nikolay B.; Martin, Nicolas P.; Nyman, May; Abramov, Pavel A.; Sokolov, Maxim N.","Niobium uptake by a [P8W48O184]40− macrocyclic polyanion","New Journal of Chemistry","2019","43","25","9943","","10.1039/C9NJ01907C","","x-ray","0.71073","MoKα","","0.078","0.0454","","","0.1023","0.1164","","","","","","1.018","","","","has coordinates","224851","2020-10-21","18:00:00",""
"7058431","11.9928","0.0004","17.9174","0.0007","24.0867","0.0008","90","","102.409","0.004","90","","5054.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H75 P Th -","- C55 H75 P Th -","- C220 H300 P4 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0627","0.0413","","","0.0611","0.0673","","","","","","1.027","","","","has coordinates,has disorder","224687","2020-10-21","18:00:00",""
"7058432","19.0237","0.0007","10.9583","0.0003","22.7751","0.0009","90","","110.359","0.004","90","","4451.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H71 N2 P Th -","- C45 H71 N2 P Th -","- C180 H284 N8 P4 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0619","0.04","","","0.0567","0.0645","","","","","","1.042","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058433","10.4933","0.0003","20.1773","0.0005","24.5352","0.0007","90","","90","","90","","5194.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H83 P Si2 Th -","- C51 H83 P Si2 Th -","- C204 H332 P4 Si8 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0432","0.0363","","","0.0504","0.0526","","","","","","1.013","","","","has coordinates,has disorder","224687","2020-10-21","18:00:00",""
"7058434","11.1772","0.0003","9.5969","0.0003","33.6365","0.0009","90","","91.075","0.002","90","","3607.43","0.18","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Th -","- C42 H52 Th -","- C168 H208 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0494","0.0351","","","0.0551","0.0596","","","","","","1.036","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058435","14.4445","0.0001","16.9931","0.0002","20.9732","0.0002","90","","106.37","0.001","90","","4939.32","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H79 P Si Th -","- C52 H79 P Si Th -","- C208 H316 P4 Si4 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","1.54184","CuKα","","0.0651","0.0568","","","0.1424","0.1495","","","","","","1.053","","","","has coordinates,has disorder","224687","2020-10-21","18:00:00",""
"7058436","10.4557","0.0003","13.392","0.0003","18.2665","0.0003","103.604","0.002","101.978","0.002","106.92","0.002","2271.18","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H72 N P Th -","- C50 H72 N P Th -","- C100 H144 N2 P2 Th2 -","2","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","1.54184","CuKα","","0.0321","0.0316","","","0.0791","0.0795","","","","","","1.019","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058437","14.7787","0.0005","16.9676","0.0006","20.157","0.0005","90","","100.28","0.003","90","","4973.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H75 P Th -","- C57 H75 P Th -","- C228 H300 P4 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0596","0.0379","","","0.0615","0.0679","","","","","","1.038","","","","has coordinates,has disorder","224687","2020-10-21","18:00:00",""
"7058438","12.0344","0.0006","14.361","0.0008","27.3883","0.0016","90","","100.605","0.005","90","","4652.6","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 Cl K P S2 Th -","- C45 H68 Cl K P S2 Th -","- C180 H272 Cl4 K4 P4 S8 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","1.54184","CuKα","","0.0973","0.0635","","","0.1249","0.1435","","","","","","1.043","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058439","10.6048","0.0007","14.0877","0.0011","17.0948","0.0011","79.425","0.006","88.351","0.005","70.872","0.006","2370.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H75 N2 P Th -","- C48 H75 N2 P Th -","- C96 H150 N4 P2 Th2 -","2","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0701","0.0556","","","0.1122","0.1198","","","","","","1.089","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058440","10.9426","0.0002","23.0388","0.0005","19.901","0.0004","90","","90.3699","0.0017","90","","5017.02","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H81 P Th -","- C55 H81 P Th -","- C220 H324 P4 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","1.54184","CuKα","","0.0476","0.0428","","","0.1099","0.1156","","","","","","1.03","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058441","11.5986","0.0003","19.4198","0.0006","20.5637","0.0008","90","","92.147","0.003","90","","4628.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H142 Cl2 K2 P2 Th2 -","- C94 H142 Cl2 K2 P2 Th2 -","- C188 H284 Cl4 K4 P4 Th4 -","2","0.5","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0709","0.0473","","","0.0635","0.0708","","","","","","1.013","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058442","24.8824","0.0006","11.6832","0.0003","32.2158","0.0007","90","","92.277","0.002","90","","9357.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96 H140 Cl2 K2 N2 P2 Th2 -","- C96 H140 Cl2 K2 N2 P2 Th2 -","- C384 H560 Cl8 K8 N8 P8 Th8 -","4","0.5","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","1.54184","CuKα","","0.0617","0.0443","","","0.0928","0.1006","","","","","","1.028","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058443","11.8716","0.0001","18.6638","0.0002","23.8696","0.0002","90","","98.698","0.001","90","","5227.94","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H73 P Th -","- C50 H73 P Th -","- C200 H292 P4 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","1.54184","CuKα","","0.0296","0.0271","","","0.0678","0.0695","","","","","","1.043","","","","has coordinates","224687","2020-10-21","18:00:00",""
"7058444","13.196","0.003","16.494","0.004","9.256","0.002","90","","104.081","0.006","90","","1954.1","0.8","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","propan-1-aminium 3-acetyl-5-(ethoxycarbonyl)-3,5-difluoro-2,6-dioxo-4-phenylcyclohexan-1-ide","","- C20 H25 F2 N O5 -","- C20 H25 F2 N O5 -","- C80 H100 F8 N4 O20 -","4","1","","Pikun, Nadiia V.; Kolesnyk, Natalya P.; Rusanov, Eduard B.; Plotniece, Aiva; Sobolev, Arkadij; Domracheva, Ilona; Shermolovich, Yuriy G.","Contrasting reactivity of fluorinated 2,6-heptanediones towards amines and ammonia, leading to cyclohexanediones or 2-oxa-6-azabicyclo[2.2.2]octanes and evaluation of their cytotoxicity","New Journal of Chemistry","2019","43","26","10537","","10.1039/C9NJ01446B","","","0.71073","MoKα","","0.0767","0.0446","","","0.0934","0.1086","","","","","","1.014","","","","has coordinates","224799","2020-10-21","18:00:00",""
"7058445","13.2871","0.0006","7.3989","0.0004","14.157","0.001","90","","104.735","0.007","90","","1346","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-(5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl)phenyl)ethan-1-one","","- C15 H10 F3 N3 O -","- C15 H10 F3 N3 O -","- C60 H40 F12 N12 O4 -","4","1","","Jismy, Badr; Akssira, Mohamed; Knez, Damijan; Guillaumet, Gérald; Gobec, Stanislav; Abarbri, Mohamed","Efficient synthesis and preliminary biological evaluations of trifluoromethylated imidazo[1,2-a]pyrimidines and benzimidazo[1,2-a]pyrimidines","New Journal of Chemistry","2019","43","25","9961","","10.1039/C9NJ01982K","","","1.54187","CuKα","","0.1194","0.0527","","","0.1229","0.1778","","","","","","1.066","","","","has coordinates","224849","2020-10-21","18:00:00",""
"7058446","12.2579","0.0005","9.7269","0.0004","29.1802","0.0012","90","","92.889","0.004","90","","3474.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H2 F6 N6 O9 -","- C13 H2 F6 N6 O9 -","- C104 H16 F48 N48 O72 -","8","2","","Zhang, Xingcheng; Fu, Menglei; Zou, Fangfang; Hao, Jingyuan; Qu, Youle; Hu, Wenxiang; Zhou, Qiuju","1,3-Bis(3,4,5-trifluoro-2,6-dinitrophenyl)urea (ZXC-19): a multifluorine substituted propellant with superior detonation performance","New Journal of Chemistry","2019","43","24","9623","","10.1039/C9NJ01885A","","","0.71073","MoKα","","0.0634","0.0394","","","0.0963","0.1052","","","","","","1.068","","","","has coordinates,has disorder","224688","2020-10-21","18:00:00",""
"7058447","10.877","0.003","8.6204","0.0016","19.81","0.004","90","","100.554","0.008","90","","1826","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Janardhanan, Jith C.; James, Kiran; Puthuvakkal, Anisha; Bhaskaran, Rasmi P.; Suresh, Cherumuttathu H.; Praveen, Vakayil K.; Manoj, Narayanapillai; Babu, Beneesh P.","Synthesis of hybrid polycycles containing fused hydroxy benzofuran and 1H-indazoles via a domino cyclization reaction","New Journal of Chemistry","2019","43","25","10166","","10.1039/C9NJ01991J","","","0.71073","MoKα","","0.1099","0.055","","","0.1387","0.1791","","","","","","1.06","","","","has coordinates","224850","2020-10-21","18:00:00",""
"7058448","18.0014","0.0011","18.0014","0.0011","29.4043","0.0018","90","","90","","120","","8251.9","0.9","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C36 H119 Mo12 N24 O104 P -","- C36 H36 Mo12 N24 O65.2 P -","- C108 H108 Mo36 N72 O195.6 P3 -","3","0.0833333","","Xia, Xi; Ge, Wei Wei; Chen, Haiyong; Tao, Zhu; Zhang, Yunqian; Wei, Gang; Chen, Kai","Porous supramolecular assemblies and functional properties of perhydroxylated cucurbit[6]uril and polyoxometallates","New Journal of Chemistry","2019","43","26","10297","","10.1039/C9NJ01116A","","","0.71073","MoKα","","0.0995","0.0843","","","0.1915","0.1984","","","","","","1.261","","","","has coordinates","224798","2020-10-21","18:00:00",""
"7058449","18.096","0.004","18.096","0.004","29.247","0.009","90","","90","","120","","8294","4","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C36 H36 N24 O64 P W12 -","- C36 H36 N24 O64.008 P W12 -","- C108 H108 N72 O192.024 P3 W36 -","3","0.0833333","","Xia, Xi; Ge, Wei Wei; Chen, Haiyong; Tao, Zhu; Zhang, Yunqian; Wei, Gang; Chen, Kai","Porous supramolecular assemblies and functional properties of perhydroxylated cucurbit[6]uril and polyoxometallates","New Journal of Chemistry","2019","43","26","10297","","10.1039/C9NJ01116A","","","0.71073","MoKα","","0.0702","0.0657","","","0.144","0.1465","","","","","","1.146","","","","has coordinates,has disorder","224798","2020-10-21","18:00:00",""
"7058450","22.317","0.003","22.317","0.003","22.272","0.003","90","","90","","120","","9606","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H77 Cl3 N24 O43 -","- C36 H36 Cl3 N24 O24 -","- C216 H216 Cl18 N144 O144 -","6","0.166667","","Xia, Xi; Ge, Wei Wei; Chen, Haiyong; Tao, Zhu; Zhang, Yunqian; Wei, Gang; Chen, Kai","Porous supramolecular assemblies and functional properties of perhydroxylated cucurbit[6]uril and polyoxometallates","New Journal of Chemistry","2019","43","26","10297","","10.1039/C9NJ01116A","","","0.71073","MoKα","","0.0763","0.0637","","","0.2093","0.2292","","","","","","1.286","","","","has coordinates","224798","2020-10-21","18:00:00",""
"7058451","6.158","0.005","7.899","0.006","14.325","0.01","79.963","0.015","87.426","0.016","86.68","0.02","684.6","0.9","305","2","305","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Gupta, Vijay; Singh, Ravi P.","Enantioselective vinylogous Michael addition of β,γ-unsaturated butenolide to 2-iminochromenes","New Journal of Chemistry","2019","43","25","9771","","10.1039/C9NJ01584A","","","0.71073","MoKα","","0.1088","0.0638","","","0.1616","0.1934","","","","","","0.83","","","","has coordinates","224847","2020-10-21","18:00:00",""
"7058452","9.5906","0.0001","13.1698","0.0002","16.0726","0.0002","90","","103.371","0.002","90","","1975.04","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Al N2 P Se -","- C20 H22 Al N2 P Se -","- C80 H88 Al4 N8 P4 Se4 -","4","1","","Harinath, Adimulam; Banerjee, Indrani; Bhattacharjee, Jayeeta; Panda, Tarun K.","Aluminium complex-catalysed hydroboration of alkenes and alkynes","New Journal of Chemistry","2019","43","26","10531","","10.1039/C9NJ01859J","","","1.54184","CuKα","","0.0331","0.0311","","","0.084","0.0858","","","","","","1.037","","","","has coordinates","224789","2020-10-21","18:00:00",""
"7058453","8.537","0.0012","8.7025","0.0012","9.7295","0.0018","84.792","0.003","88.545","0.002","68.948","0.002","671.79","0.18","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O18 -","- C25 H28 N2 O18 -","- C25 H28 N2 O18 -","1","0.5","","Liang, Xiaoqiang; Chen, Yixiang; Wang, Li; Zhang, Feng; Fan, Zenglu; Cao, Tingting; Cao, Yaya; Zhu, Huifang; He, Xinyue; Deng, Bolin; You, Yazhi; Dong, Yu; Zhao, Yamei","Effect of carbon-skeleton isomerism on the dielectric properties and proton conduction of organic cocrystal compounds assembled from 1,2,4,5-benzenetetracarboxylic acid and piperazine derivatives","New Journal of Chemistry","2019","43","28","11099","","10.1039/C9NJ01412H","","","0.71073","MoKα","","0.0436","0.0338","","","0.0978","0.1021","","","","","","1.069","","","","has coordinates,has disorder","224678","2020-10-21","18:00:00",""
"7058454","9.609","0.0018","9.757","0.002","15.708","0.0012","71.915","0.002","76.613","0.003","87.499","0.002","1361.3","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O17 -","- C25 H26 N2 O17 -","- C50 H52 N4 O34 -","2","1","","Liang, Xiaoqiang; Chen, Yixiang; Wang, Li; Zhang, Feng; Fan, Zenglu; Cao, Tingting; Cao, Yaya; Zhu, Huifang; He, Xinyue; Deng, Bolin; You, Yazhi; Dong, Yu; Zhao, Yamei","Effect of carbon-skeleton isomerism on the dielectric properties and proton conduction of organic cocrystal compounds assembled from 1,2,4,5-benzenetetracarboxylic acid and piperazine derivatives","New Journal of Chemistry","2019","43","28","11099","","10.1039/C9NJ01412H","","","0.71073","MoKα","","0.0912","0.0594","","","0.0762","0.0817","","","","","","1.014","","","","has coordinates","224678","2020-10-21","18:00:00",""
"7058455","21.8459","0.0009","19.8487","0.0005","25.4804","0.0008","90","","90","","90","","11048.6","0.6","116.6","","116.6","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42.75 H58 Cu6 N8 O15.75 S3 -","- C42.75 H58 Cu6 N8 O15.75 S3 -","- C342 H464 Cu48 N64 O126 S24 -","8","1","","Sun, Zhi-Bing; Li, Yi-Lin; Zhang, Zhe-Hua; Li, Zi-Feng; Xiao, Bo; Li, Gang","A path to improve proton conductivity: from a 3D hydrogen-bonded organic framework to a 3D copper-organic framework","New Journal of Chemistry","2019","43","26","10637","","10.1039/C9NJ02025J","","","0.71073","MoKα","","0.0917","0.056","","","0.1364","0.1665","","","","","","1.092","","","","has coordinates,has disorder","224790","2020-10-21","18:00:00",""
"7058456","11.757","0.003","12.706","0.003","13.594","0.003","90","","90","","90","","2030.7","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N7 O8 -","- C5 H5 N7 O8 -","- C40 H40 N56 O64 -","8","1","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.0818","0.0496","","","0.1081","0.1246","","","","","","1.04","","","","has coordinates","224788","2020-10-21","18:00:00",""
"7058457","17.038","0.004","7.15","0.0016","13.854","0.003","90","","99.084","0.006","90","","1666.6","0.7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 N10 O9 -","- C9 H16 N10 O9 -","- C36 H64 N40 O36 -","4","1","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.1333","0.0563","","","0.1196","0.1541","","","","","","1.009","","","","has coordinates","224788","2020-10-21","18:00:00",""
"7058458","13.79","0.002","7.0973","0.0011","19.7","0.003","90","","98.238","0.004","90","","1908.2","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Cl4 N36 O33 -","- C48 H74 Cl4 N36 O33 -","- C48 H74 Cl4 N36 O33 -","1","0.25","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.1216","0.0606","","","0.1345","0.1666","","","","","","1.022","","","","has coordinates,has disorder","224788","2020-10-21","18:00:00",""
"7058459","16.894","0.004","9.096","0.002","9.676","0.004","90","","90","","90","","1486.9","0.8","173","","173","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H14 N10 O8 -","- C9 H14 N10 O8 -","- C36 H56 N40 O32 -","4","0.5","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.1738","0.0618","","","0.0612","0.0735","","","","","","1.006","","","","has coordinates,has disorder","224788","2020-10-21","18:00:00",""
"7058460","13.475","0.006","8.538","0.004","13.241","0.006","90","","115.838","0.011","90","","1371.1","1.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O10 -","- C6 H8 N8 O10 -","- C24 H32 N32 O40 -","4","1","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.1813","0.0676","","","0.1449","0.1879","","","","","","1.001","","","","has coordinates","224788","2020-10-21","18:00:00",""
"7058461","9.1685","0.0007","11.3729","0.0012","10.5397","0.0007","90","","101.086","0.007","90","","1078.49","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","0.5","","Wu, Ming Ze; Shi, Jian Yun; Chen, Peng Yun; Tian, Li","A three-dimensional Cd(ii) metal‒organic framework: a bifunctional luminescence sensor for benzaldehyde and Fe2+ ions","New Journal of Chemistry","2019","43","26","10575","","10.1039/C9NJ02214G","","x-ray","0.71073","MoKα","","0.0613","0.0405","","","0.0763","0.0862","","","","","","1.038","","","","has coordinates,has disorder","224796","2020-10-21","18:00:00",""
"7058462","11.2527","0.0005","11.6167","0.0004","13.1053","0.0007","80.753","0.004","85.342","0.004","82.676","0.004","1673.83","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 F3 N4 O21 V7 -","- C16 H28 F3 N4 O21 V7 -","- C32 H56 F6 N8 O42 V14 -","2","1","","Nicolaou, Maria; Drouza, Chryssoula; Keramidas, Anastasios","Controlled One Pot Synthesis of Polyoxofluorovanadate Molecular Hybrids Exhibiting Peroxidase Like Activity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01999E","","","0.71073","MoKα","","0.0498","0.038","","","0.0951","0.108","","","","","","1.045","","","","has coordinates","215805","2020-10-21","18:00:00",""
"7058463","18.5701","0.0005","18.5701","0.0005","16.8793","0.0007","90","","90","","90","","5820.8","0.3","100","2","100","2","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C8.5 H8.62 F0.25 N1.5 Na0.12 O7.88 V2.25 -","- C8.675 F0.25 N1.19 Na0.125 O9.4315 V2.25 -","- C138.8 F4 N19.04 Na2 O150.904 V36 -","16","1","","Nicolaou, Maria; Drouza, Chryssoula; Keramidas, Anastasios","Controlled One Pot Synthesis of Polyoxofluorovanadate Molecular Hybrids Exhibiting Peroxidase Like Activity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01999E","","","0.71073","MoKα","","0.0817","0.0657","","","0.1917","0.2047","","","","","","1.135","","","","has coordinates,has disorder","215805","2020-10-21","18:00:00",""
"7058464","11.3188","0.0011","10.5474","0.0012","9.8278","0.0011","90","","114.041","0.013","90","","1071.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 F4 N2 O V -","- C8 H14 F4 N2 O V -","- C32 H56 F16 N8 O4 V4 -","4","1","","Nicolaou, Maria; Drouza, Chryssoula; Keramidas, Anastasios","Controlled One Pot Synthesis of Polyoxofluorovanadate Molecular Hybrids Exhibiting Peroxidase Like Activity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01999E","","","0.71073","MoKα","","0.0777","0.0707","","","0.2092","0.2304","","","","","","1.092","","","","has coordinates","215805","2020-10-21","18:00:00",""
"7058465","11.057","0.0004","15.2162","0.0006","17.6103","0.0006","81.597","0.003","79.598","0.003","80.767","0.003","2855.38","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 F2 N6 O39 V12 -","- C32.894 H24 F2 N5.98 O39.099 V12 -","- C65.788 H48 F4 N11.96 O78.198 V24 -","2","1","","Nicolaou, Maria; Drouza, Chryssoula; Keramidas, Anastasios","Controlled One Pot Synthesis of Polyoxofluorovanadate Molecular Hybrids Exhibiting Peroxidase Like Activity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01999E","","","0.71073","MoKα","","0.0695","0.0498","","","0.1166","0.1252","","","","","","1.044","","","","has coordinates","215805","2020-10-21","18:00:00",""
"7058466","6.0553","0.0002","28.0406","0.0009","18.5892","0.0006","90","","91.388","0.001","90","","3155.41","0.18","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N2 Ni O4 -","- C40 H32 N2 Ni O4 -","- C160 H128 N8 Ni4 O16 -","4","1","","Novoa, Néstor; Manzur, Carolina; Roisnel, Thierry; Dorcet, Vincent; Cabon, Nolwenn; Robin-Le Guen, Françoise; Ledoux-Rak, Isabelle; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties","New Journal of Chemistry","2019","43","26","10468","","10.1039/C9NJ01774G","","x-ray","0.71073","MoKα","","0.0789","0.0458","","","0.1119","0.1331","","","","","","0.931","","","","has coordinates","224793","2020-10-21","18:00:00",""
"7058467","21.8315","0.0007","5.8706","0.0002","26.5283","0.0009","90","","101.999","0.001","90","","3325.69","0.19","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Fe N2 Ni O3 -","- C43 H34 Fe N2 Ni O3 -","- C172 H136 Fe4 N8 Ni4 O12 -","4","1","","Novoa, Néstor; Manzur, Carolina; Roisnel, Thierry; Dorcet, Vincent; Cabon, Nolwenn; Robin-Le Guen, Françoise; Ledoux-Rak, Isabelle; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties","New Journal of Chemistry","2019","43","26","10468","","10.1039/C9NJ01774G","","x-ray","0.71073","MoKα","","0.0802","0.0405","","","0.0871","0.1024","","","","","","1.004","","","","has coordinates","224793","2020-10-21","18:00:00",""
"7058468","6.321","0.0003","17.7556","0.0009","28.2853","0.0017","90","","90","","90","","3174.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 c n","P -2n 2a","33","","","","- C40 H32 Cu N2 O4 -","- C40 H32 Cu N2 O4 -","- C160 H128 Cu4 N8 O16 -","4","1","","Novoa, Néstor; Manzur, Carolina; Roisnel, Thierry; Dorcet, Vincent; Cabon, Nolwenn; Robin-Le Guen, Françoise; Ledoux-Rak, Isabelle; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties","New Journal of Chemistry","2019","43","26","10468","","10.1039/C9NJ01774G","","x-ray","0.71073","MoKα","","0.1105","0.0743","","","0.107","0.119","","","","","","1.126","","","","has coordinates","224793","2020-10-21","18:00:00",""
"7058469","9.584","0.0007","11.8007","0.0009","15.593","0.0015","79.465","0.004","75.558","0.004","77.413","0.005","1651.3","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C86 H68 Cu2 Fe2 N4 O6 -","- C86 H68 Cu2 Fe2 N4 O6 -","- C86 H68 Cu2 Fe2 N4 O6 -","1","0.5","","Novoa, Néstor; Manzur, Carolina; Roisnel, Thierry; Dorcet, Vincent; Cabon, Nolwenn; Robin-Le Guen, Françoise; Ledoux-Rak, Isabelle; Kahlal, Samia; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Redox-switching of ternary Ni(ii) and Cu(ii) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties","New Journal of Chemistry","2019","43","26","10468","","10.1039/C9NJ01774G","","x-ray","0.71073","MoKα","","0.0864","0.0524","","","0.1017","0.1146","","","","","","1.006","","","","has coordinates","224793","2020-10-21","18:00:00",""
"7058470","19.6573","0.0014","10.5231","0.0007","17.6988","0.0012","90","","107.42","0.001","90","","3493.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tb-HIA","Tb-HIA","","- C8 H14 N O13 Tb -","- C8 H14 N O13 Tb -","- C64 H112 N8 O104 Tb8 -","8","1","","Huangfu, Mengjie; Tian, Xueqin; Zhao, Shuang; Wu, Pengyan; Chu, Huacong; Zheng, Xiaotian; Tang, Jiawei; Wang, Jian","Post-synthetic modification of a Tb-based metal‒organic framework for highly selective and sensitive detection of metal ions in aqueous solution","New Journal of Chemistry","2019","43","26","10232","","10.1039/C9NJ01835B","","","0.71073","MoKα","","0.0459","0.0446","","","0.1412","0.1427","","","","","","1.028","","","","has coordinates","224797","2020-10-21","18:00:00",""
"7058471","13.2638","0.0003","13.2638","0.0003","14.1414","0.0003","90","","90","","120","","2154.56","0.08","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","YbCuIDA","Ytterbium Copper (II) Iminodiacetate hydrate","","- C24 H30 Cu3 N6 O24 Yb2 -","- C24 H30 Cu3 N6 O24 Yb2 -","- C48 H60 Cu6 N12 O48 Yb4 -","2","0.166667","","Cancino, Patricio; Santibañez, Luis; Stevens, Christian; Fuentealba, Pablo; Audebrand, Nathalie; Aravena, Daniel; Torres, Julia; Martinez, Sebastian; Kremer, Carlos; Spodine, Evgenia","Influence of the channel size of isostructural 3d‒4f MOFs on the catalytic aerobic oxidation of cycloalkenes","New Journal of Chemistry","2019","43","28","11057","","10.1039/C9NJ02091H","","","1.54178","CuKα","","0.0372","0.0239","","","0.0495","0.0538","","","","","","1.085","","","","has coordinates","224679","2020-10-21","18:00:00",""
"7058472","22.0277","0.0012","13.4965","0.0007","21.8512","0.0012","90","","118.272","0.001","90","","5721.3","0.5","292","2","292","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N4 O10 -","- C28 H30 N4 O10 -","- C224 H240 N32 O80 -","8","1","","Amala, S.; Rajarajan, G.; Dhineshkumar, E.; Arockia doss, M.; Thanikachalam, V.; Selvanayagam, S.; Sridhar, B.","The synthesis of 3-ethyl-5-methyl-2,6-diarylpiperidin-4-on-1-ium picrates and their spectral, XRD and theoretical studies","New Journal of Chemistry","2019","43","27","11003","","10.1039/C9NJ01631G","","","0.71073","MoKα","","0.0741","0.0655","","","0.195","0.2063","","","","","","1.043","","","","has coordinates","224713","2020-10-21","18:00:00",""
"7058473","8.543","0.003","9.812","0.003","11.326","0.004","112.596","0.004","108.635","0.003","91.223","0.004","819.2","0.5","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 B2 F2 O4 Si2 -","- C36 H28 B2 F2 O4 Si2 -","- C36 H28 B2 F2 O4 Si2 -","1","0.5","","Gopalakrishnan, Mohan; Viswanathan, Thamodharan; David, Ezhumalai; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy","Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes","New Journal of Chemistry","2019","43","27","10948","","10.1039/C9NJ01611B","","","0.71073","MoKα","","0.046","0.0383","","","0.1001","0.1053","","","","","","1.046","","","","has coordinates","224709","2020-10-21","18:00:00",""
"7058474","8.287","0.002","10.295","0.003","11.708","0.003","66.834","0.003","71.199","0.003","82.142","0.003","869.3","0.4","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 B2 N2 O4 Si2 -","- C38 H28 B2 N2 O4 Si2 -","- C38 H28 B2 N2 O4 Si2 -","1","0.5","","Gopalakrishnan, Mohan; Viswanathan, Thamodharan; David, Ezhumalai; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy","Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes","New Journal of Chemistry","2019","43","27","10948","","10.1039/C9NJ01611B","","","0.71073","MoKα","","0.0499","0.0412","","","0.1035","0.1091","","","","","","1.043","","","","has coordinates","224709","2020-10-21","18:00:00",""
"7058475","8.562","0.003","9.842","0.003","11.327","0.004","112.813","0.003","108.804","0.003","90.983","0.003","821.7","0.5","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 B2 F4 O4 Si2 -","- C36 H26 B2 F4 O4 Si2 -","- C36 H26 B2 F4 O4 Si2 -","1","0.5","","Gopalakrishnan, Mohan; Viswanathan, Thamodharan; David, Ezhumalai; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy","Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes","New Journal of Chemistry","2019","43","27","10948","","10.1039/C9NJ01611B","","","0.71073","MoKα","","0.047","0.0408","","","0.1094","0.1153","","","","","","1.029","","","","has coordinates,has disorder","224709","2020-10-21","18:00:00",""
"7058476","8.03","0.003","10.958","0.004","11.633","0.005","63.517","0.005","72.042","0.005","84.943","0.005","870.1","0.6","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 B2 N2 O8 Si2 -","- C36 H28 B2 N2 O8 Si2 -","- C36 H28 B2 N2 O8 Si2 -","1","0.5","","Gopalakrishnan, Mohan; Viswanathan, Thamodharan; David, Ezhumalai; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy","Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes","New Journal of Chemistry","2019","43","27","10948","","10.1039/C9NJ01611B","","","0.71073","MoKα","","0.036","0.0328","","","0.0872","0.09","","","","","","1.057","","","","has coordinates","224709","2020-10-21","18:00:00",""
"7058477","12.184","0.003","7.791","0.002","18.42","0.005","90","","99.516","0.003","90","","1724.5","0.8","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 B2 F6 O4 Si2 -","- C38 H28 B2 F6 O4 Si2 -","- C76 H56 B4 F12 O8 Si4 -","2","0.5","","Gopalakrishnan, Mohan; Viswanathan, Thamodharan; David, Ezhumalai; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy","Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes","New Journal of Chemistry","2019","43","27","10948","","10.1039/C9NJ01611B","","","0.71073","MoKα","","0.0508","0.0414","","","0.1015","0.1076","","","","","","1.035","","","","has coordinates","224709","2020-10-21","18:00:00",""
"7058478","9.6253","0.0019","21.963","0.004","10.606","0.002","90","","113.95","0.03","90","","2049.1","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C96 H76 N20 O8 -","4","1","","Moghaddam, F. Matloubi; Eslami, M.; Siahpoosh, A.; Hoda, G.","Diastereoselective construction of a functionalized dihydro-pyridazine-based spirooxindole scaffold via C-3 umpolung of isatin N,N′-cyclic azomethine imine","New Journal of Chemistry","2019","43","26","10318","","10.1039/C8NJ06345A","","","0.71073","MoKα","","0.1129","0.0922","","","0.1603","0.1692","","","","","","1.092","","","","has coordinates","224791","2020-10-21","18:00:00",""
"7058479","8.6518","0.0013","8.7863","0.0013","9.96","0.0014","83.38","0.005","66.139","0.005","76.502","0.005","673.11","0.17","173","2","172.9","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N13 O7 -","- C7 H7 N13 O7 -","- C14 H14 N26 O14 -","2","1","","Xu, Minxian; Cheng, Guangbin; Xiong, Hualin; Wang, Bohan; Ju, Xuehai; Yang, Hongwei","Synthesis of high-performance insensitive energetic materials based on nitropyrazole and 1,2,4-triazole","New Journal of Chemistry","2019","43","28","11157","","10.1039/C9NJ01445D","","","0.71073","MoKα","","0.1323","0.0706","","","0.1505","0.185","","","","","","1.037","","","","has coordinates","224676","2020-10-21","18:00:00",""
"7058480","5.0463","0.0005","14.9379","0.0012","18.6918","0.0018","90","","93.903","0.009","90","","1405.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N11 O8 -","- C7 H7 N11 O8 -","- C28 H28 N44 O32 -","4","1","","Xu, Minxian; Cheng, Guangbin; Xiong, Hualin; Wang, Bohan; Ju, Xuehai; Yang, Hongwei","Synthesis of high-performance insensitive energetic materials based on nitropyrazole and 1,2,4-triazole","New Journal of Chemistry","2019","43","28","11157","","10.1039/C9NJ01445D","","","0.71073","MoKα","","0.0806","0.0486","","","0.1127","0.128","","","","","","1.053","","","","has coordinates","224676","2020-10-21","18:00:00",""
"7058481","10.454","0.003","15.477","0.004","7.482","0.002","90","","104.39","0.017","90","","1172.6","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N9 O7 -","- C5 H9 N9 O7 -","- C20 H36 N36 O28 -","4","1","","Li, Jie; Wang, Shucun; Liao, Longyu; Ma, Qing; Zhang, Zhenqi; Fan, Guijuan","Stabilization of an intramolecular hydrogen-bond block in an s-triazine insensitive high-energy material","New Journal of Chemistry","2019","43","27","10675","","10.1039/C9NJ02239B","","","0.71073","MoKα","","0.181","0.063","","","0.0962","0.1171","","","","","","0.94","","","","has coordinates","224703","2020-10-21","18:00:00",""
"7058482","8.25477","0.00018","16.5149","0.0004","26.0208","0.0005","90","","90.7335","0.0018","90","","3547.04","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 I4 N8 Se4 Te4 -","- C56 H72 I4 N8 Se4 Te4 -","- C112 H144 I8 N16 Se8 Te8 -","2","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Cadoni, Enzo; Copolovici, Lucian O.; Isaia, Francesco; Lippolis, Vito; Murgia, Sergio; Pop, Alexandra M.; Silvestru, Cristian; Tidey, Jeremiah P.; Varga, Richard A.","Reaction of imidazoline-2-selone derivatives with mesityltellurenyl iodide: a unique example of a 3c-4e Se→Te←Se three-body system embedding a tellurenyl cation","New Journal of Chemistry","2019","43","30","11821","","10.1039/C9NJ01593K","","x-ray","1.54184","CuKα","","0.0417","0.0312","","","0.0694","0.0734","","","","","","0.988","","","","has coordinates","224897","2020-10-21","18:00:00",""
"7058483","16.2052","0.0017","15.2199","0.0016","16.6992","0.0017","90","","99.016","0.002","90","","4067.8","0.7","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Cl4 I2 N4 Se2 Te2 -","- C27 H34 I2 N4 Se2 Te2 -","- C108 H136 I8 N16 Se8 Te8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Cadoni, Enzo; Copolovici, Lucian O.; Isaia, Francesco; Lippolis, Vito; Murgia, Sergio; Pop, Alexandra M.; Silvestru, Cristian; Tidey, Jeremiah P.; Varga, Richard A.","Reaction of imidazoline-2-selone derivatives with mesityltellurenyl iodide: a unique example of a 3c-4e Se→Te←Se three-body system embedding a tellurenyl cation","New Journal of Chemistry","2019","43","30","11821","","10.1039/C9NJ01593K","","","0.71073","MoKα","","0.1019","0.0903","","","0.1911","0.1968","","","","","","1.214","","","","has coordinates","224897","2020-10-21","18:00:00",""
"7058484","33.86","0.007","36.211","0.007","19.899","0.003","90","","107.145","0.018","90","","23314","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H50 Au N5 O3 S -","- C39 H50 Au N5 O3 S -","- C936 H1200 Au24 N120 O72 S24 -","24","3","","Kuchar, Julia; Rust, Jörg; Lehmann, Christian W.; Mohr, Fabian","Acylseleno- and acylthioureato complexes of gold(i) N-heterocyclic carbenes","New Journal of Chemistry","2019","43","27","10750","","10.1039/C9NJ02229E","","","0.71073","MoKα","","0.1559","0.0659","","","0.1048","0.1315","","","","","","1.007","","","","has coordinates,has disorder","276359","2022-06-28","17:22:07",""
"7058485","14.1899","0.0003","16.2803","0.0004","18.4131","0.0005","90","","101.693","0.002","90","","4165.44","0.18","157","11","157","11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Au N4 O2 Se -","- C42 H59 Au N4 O2 Se -","- C168 H236 Au4 N16 O8 Se4 -","4","1","","Kuchar, Julia; Rust, Jörg; Lehmann, Christian W.; Mohr, Fabian","Acylseleno- and acylthioureato complexes of gold(i) N-heterocyclic carbenes","New Journal of Chemistry","2019","43","27","10750","","10.1039/C9NJ02229E","","x-ray","0.71073","MoKα","","0.0599","0.0388","","","0.0785","0.087","","","","","","1.101","","","","has coordinates","224705","2020-10-21","18:00:00",""
"7058486","19.003","0.007","21.806","0.003","37.911","0.006","90","","91.39","0.02","90","","15705","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Au N5 O3 Se -","- C39 H50 Au N5 O3 Se -","- C624 H800 Au16 N80 O48 Se16 -","16","4","","Kuchar, Julia; Rust, Jörg; Lehmann, Christian W.; Mohr, Fabian","Acylseleno- and acylthioureato complexes of gold(i) N-heterocyclic carbenes","New Journal of Chemistry","2019","43","27","10750","","10.1039/C9NJ02229E","","","0.71073","MoKα","","0.1142","0.0614","","","0.1157","0.1355","","","","","","1.029","","","","has coordinates,has disorder","276359","2022-06-28","17:22:07",""
"7058487","11.9321","0.0011","12.2008","0.0012","12.671","0.0012","89.392","0.001","64.766","0.001","64.809","0.001","1476.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H72 F6 N4 O6 S2 Te2 -","- C56 H72 F6 N4 O6 S2 Te2 -","- C56 H72 F6 N4 O6 S2 Te2 -","1","0.5","","Nakata, Norio; Kawauchi, Fumihiko; Takahashi, Shintaro; Ishii, Akihiko","Dicationic ditelluride salts stabilized by N-heterocyclic carbene","New Journal of Chemistry","2019","43","27","10894","","10.1039/C9NJ02138H","","","0.71073","MoKα","","0.0479","0.0468","","","0.1212","0.123","","","","","","1.01","","","","has coordinates,has disorder","224714","2020-10-21","18:00:00",""
"7058488","11.0816","0.0008","18.5142","0.0013","25.346","0.0018","90","","101.538","0.001","90","","5095.1","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H78 B2 F40 N6 Te2 -","- C106 H78 B2 F40 N6 Te2 -","- C212 H156 B4 F80 N12 Te4 -","2","0.5","","Nakata, Norio; Kawauchi, Fumihiko; Takahashi, Shintaro; Ishii, Akihiko","Dicationic ditelluride salts stabilized by N-heterocyclic carbene","New Journal of Chemistry","2019","43","27","10894","","10.1039/C9NJ02138H","","","0.71073","MoKα","","0.0342","0.0278","","","0.0722","0.0748","","","","","","1.029","","","","has coordinates","224714","2020-10-21","18:00:00",""
"7058489","5.7603","0.0007","5.7603","0.0007","5.7603","0.0007","90","","90","","90","","191.13","0.04","170","","170","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Bi Na2 S4 Sb -","- Bi1.0004 Na2 S4 Sb1.0004 -","- Bi1.0004 Na2 S4 Sb1.0004 -","1","0.00520833","","Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander","Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy","New Journal of Chemistry","2019","43","27","10814","","10.1039/C9NJ01440C","","x-ray","0.71075","MoKα","","0.0091","0.0091","","","0.0162","0.0162","","","","1.74","1.74","1.74","","","","has coordinates","224702","2020-10-21","18:00:00",""
"7058490","5.9648","0.0009","5.9648","0.0009","5.9648","0.0009","90","","90","","90","","212.22","0.06","200","","200","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Bi Na2 Sb Se4 -","- Bi1.0004 Na2 Sb1.0004 Se4 -","- Bi1.0004 Na2 Sb1.0004 Se4 -","1","0.00520833","","Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander","Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy","New Journal of Chemistry","2019","43","27","10814","","10.1039/C9NJ01440C","","x-ray","0.71075","MoKα","","0.0284","0.0144","","","0.0207","0.023","","","","2.23","2.23","1.86","","","","has coordinates","224702","2020-10-21","18:00:00",""
"7058491","6.3315","0.0005","6.3315","0.0005","6.3315","0.0005","90","","90","","90","","253.82","0.03","150","","150","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Bi Na2 Sb Te4 -","- Bi1.0004 Na2 Sb1.0004 Te4 -","- Bi1.0004 Na2 Sb1.0004 Te4 -","1","0.00520833","","Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander","Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy","New Journal of Chemistry","2019","43","27","10814","","10.1039/C9NJ01440C","","x-ray","0.71075","MoKα","","0.0173","0.0173","","","0.0181","0.0181","","","","1.66","1.66","1.66","","","","has coordinates","224702","2020-10-21","18:00:00",""
"7058492","9.7959","0.0003","10.2519","0.0002","11.5878","0.0003","85.069","0.002","68.734","0.002","62.795","0.002","960.02","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B8 Ba4 Li3 O22 Sc3 -","- B8 Ba4 Li3 O22 Sc3 -","- B16 Ba8 Li6 O44 Sc6 -","2","1","","Meng, Xianghe; Xia, Mingjun; Li, Rukang","Li3Ba4Sc3(BO3)4(B2O5)2: featuring the coexistence of isolated BO3 and B2O5 units","New Journal of Chemistry","2019","43","29","11469","","10.1039/C9NJ02710F","","","0.71073","MoKα","","0.0229","0.0196","","","0.049","0.0509","","","","","","1.066","","","","has coordinates","224670","2020-10-21","18:00:00",""
"7058493","16.1414","0.0005","20.4161","0.0006","18.0041","0.0007","90","","114.579","0.004","90","","5395.5","0.4","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H54 Cl7 Cr N4 O2 -","- C55 H54 Cl7 Cr N4 O2 -","- C220 H216 Cl28 Cr4 N16 O8 -","4","1","","Huang, Chuanbing; Vignesh, Arumugam; Bariashir, Chantsalnyam; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Achievement of strictly linear ultra-high molecular weight polyethylene with narrow dispersity by dint of nitro-enhanced 2,6-bis(imino)pyridylchromium chloride complexes","New Journal of Chemistry","2019","43","28","11307","","10.1039/C9NJ02793A","","","0.71073","MoKα","","0.1312","0.0776","","","0.1857","0.2203","","","","","","1.027","","","","has coordinates","224680","2020-10-21","18:00:00",""
"7058494","21.6448","0.0012","18.5636","0.001","21.1372","0.0012","90","","90","","90","","8493","0.8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C73 H57 Cl3 Cr N5 O4 -","- C73 H57 Cl3 Cr N5 O4 -","- C292 H228 Cl12 Cr4 N20 O16 -","4","0.25","","Huang, Chuanbing; Vignesh, Arumugam; Bariashir, Chantsalnyam; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Achievement of strictly linear ultra-high molecular weight polyethylene with narrow dispersity by dint of nitro-enhanced 2,6-bis(imino)pyridylchromium chloride complexes","New Journal of Chemistry","2019","43","28","11307","","10.1039/C9NJ02793A","","","0.71073","MoKα","","0.093","0.0616","","","0.1526","0.1654","","","","","","1.06","","","","has coordinates,has disorder","224680","2020-10-21","18:00:00",""
"7058495","5.4343","0.0003","8.4913","0.0003","10.9739","0.0005","88.134","0.003","80.55","0.004","76.336","0.004","485.36","0.04","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N8 Pd -","- C20 H22 N8 Pd -","- C20 H22 N8 Pd -","1","0.5","","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Starova, Viktoriia S.; Trachevsky, Volodymyr V.; Shova, Sergiu; Severynovska, Olga V.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.; Lampeka, Rostyslav D.","New palladium(ii) complexes with 3-(2-pyridyl)-5-alkyl-1,2,4-triazole ligands as recyclable C‒C coupling catalysts","New Journal of Chemistry","2019","43","27","10973","","10.1039/C9NJ02278C","","","0.71073","MoKα","","0.0277","0.0251","","","0.0542","0.0545","","","","","","1.109","","","","has coordinates","224711","2020-10-21","18:00:00",""
"7058496","4.5732","0.0007","9.8193","0.0012","10.5527","0.0013","71.2","0.011","86.444","0.011","76.934","0.012","436.95","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N8 Pd -","- C18 H18 N8 Pd -","- C18 H18 N8 Pd -","1","0.5","","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Starova, Viktoriia S.; Trachevsky, Volodymyr V.; Shova, Sergiu; Severynovska, Olga V.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.; Lampeka, Rostyslav D.","New palladium(ii) complexes with 3-(2-pyridyl)-5-alkyl-1,2,4-triazole ligands as recyclable C‒C coupling catalysts","New Journal of Chemistry","2019","43","27","10973","","10.1039/C9NJ02278C","","x-ray","0.71073","MoKα","","0.0692","0.0615","","","0.0826","0.0865","","","","","","1.081","","","","has coordinates","224711","2020-10-21","18:00:00",""
"7058497","30.046","0.008","6.8662","0.0012","23.785","0.006","90","","126.8","0.04","90","","3929","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C68 H84 Cl6 N24 O2 Pd3 -","- C68 H84 Cl6 N24 O2 Pd3 -","- C136 H168 Cl12 N48 O4 Pd6 -","2","0.25","","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Starova, Viktoriia S.; Trachevsky, Volodymyr V.; Shova, Sergiu; Severynovska, Olga V.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.; Lampeka, Rostyslav D.","New palladium(ii) complexes with 3-(2-pyridyl)-5-alkyl-1,2,4-triazole ligands as recyclable C‒C coupling catalysts","New Journal of Chemistry","2019","43","27","10973","","10.1039/C9NJ02278C","","x-ray","0.71073","MoKα","","0.1067","0.0601","","","0.0877","0.103","","","","","","0.928","","","","has coordinates,has disorder","224711","2020-10-21","18:00:00",""
"7058498","4.4346","0.0009","10.181","0.004","21.341","0.007","90","","92.15","0.02","90","","962.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 Pd -","- C20 H22 N8 Pd -","- C40 H44 N16 Pd2 -","2","0.5","","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Starova, Viktoriia S.; Trachevsky, Volodymyr V.; Shova, Sergiu; Severynovska, Olga V.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.; Lampeka, Rostyslav D.","New palladium(ii) complexes with 3-(2-pyridyl)-5-alkyl-1,2,4-triazole ligands as recyclable C‒C coupling catalysts","New Journal of Chemistry","2019","43","27","10973","","10.1039/C9NJ02278C","","x-ray","0.71073","MoKα","","0.1053","0.0702","","","0.1515","0.1615","","","","","","1.011","","","","has coordinates","224711","2020-10-21","18:00:00",""
"7058499","14.1696","0.0004","14.1696","0.0004","12.1596","0.0004","90","","90","","120","","2114.29","0.11","293","2","293","2","","","","","","","synstehsized","6","P 3 2 1","P 3 2""","150","","","","- C36 H48 N3 Ni1.5 O9 S3 -","- C36 H48 N3 Ni1.5 O9 S3 -","- C36 H48 N3 Ni1.5 O9 S3 -","1","0.166667","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.1016","0.107","","","","","","1.05","","","","has coordinates","224677","2020-10-21","18:00:00",""
"7058500","10.60766","0.00015","10.60766","0.00015","34.4981","0.0008","90","","90","","90","","3881.81","0.12","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C31 H52 N4 Ni2 O12 S2 -","- C31 H52 N4 Ni2 O12 S2 -","- C124 H208 N16 Ni8 O48 S8 -","4","1","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","0.71073","MoKα","","0.0368","0.0317","","","0.0754","0.0871","","","","","","1.121","","","","has coordinates","224677","2020-10-21","18:00:00",""
"7058501","17.5135","0.0005","17.5135","0.0005","10.5236","0.0003","90","","90","","120","","2795.38","0.14","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C28 H43 N3 Ni2 O10 S2 -","- C28 H43 N3 Ni2 O10 S2 -","- C84 H129 N9 Ni6 O30 S6 -","3","1","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","0.71073","MoKα","","0.0643","0.0599","","","0.176","0.179","","","","","","1.03","","","","has coordinates","224677","2020-10-21","18:00:00",""
"7058502","29.068","0.0004","20.8255","0.0003","29.6402","0.0004","90","","94.3994","0.0012","90","","17890","0.4","99.9","0.3","100","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","","","","- C312 H439 K4 N36 Ni12 O94 S24 -","- C312 H439 K4 N36 Ni12 O94 S24 -","- C624 H878 K8 N72 Ni24 O188 S48 -","2","1","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","1.54184","CuKα","","0.0778","0.0681","","","0.1863","0.1943","","","","","","1.037","","","","has coordinates,has disorder","224677","2020-10-21","18:00:00",""
"7058503","7.869","0.0005","18.8106","0.0012","15.5694","0.0012","90","","99.693","0.007","90","","2271.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N6 O6 S2 -","- C20 H22 N6 O6 S2 -","- C80 H88 N24 O24 S8 -","4","1","","Dubovtsev, Alexey Yu.; Ivanov, Daniil M.; Dabranskaya, Uladzislava; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Saccharin guanidination via facile three-component “two saccharins-one dialkylcyanamide” integration","New Journal of Chemistry","2019","43","27","10685","","10.1039/C9NJ02656H","","x-ray","1.54184","CuKα","","0.056","0.0437","","","0.1054","0.1154","","","","","","1.04","","","","has coordinates","224707","2020-10-21","18:00:00",""
"7058504","8.4094","0.0005","13.2878","0.0008","16.058","0.0006","89.298","0.004","78.292","0.004","72.505","0.005","1673.47","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N8 O6 S2 -","- C32 H40 N8 O6 S2 -","- C64 H80 N16 O12 S4 -","2","1","","Dubovtsev, Alexey Yu.; Ivanov, Daniil M.; Dabranskaya, Uladzislava; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Saccharin guanidination via facile three-component “two saccharins-one dialkylcyanamide” integration","New Journal of Chemistry","2019","43","27","10685","","10.1039/C9NJ02656H","","x-ray","1.54184","CuKα","","0.0559","0.0455","","","0.117","0.1259","","","","","","1.028","","","","has coordinates,has disorder","224707","2020-10-21","18:00:00",""
"7058505","8.0019","0.0004","15.8441","0.0008","20.2939","0.0009","84.309","0.004","84.453","0.004","80.817","0.004","2518.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H50 N10 O12 S4 -","- C43 H50 N10 O12 S4 -","- C86 H100 N20 O24 S8 -","2","1","","Dubovtsev, Alexey Yu.; Ivanov, Daniil M.; Dabranskaya, Uladzislava; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Saccharin guanidination via facile three-component “two saccharins-one dialkylcyanamide” integration","New Journal of Chemistry","2019","43","27","10685","","10.1039/C9NJ02656H","","","0.7107","MoKα","","0.0643","0.0489","","","0.1143","0.1218","","","","","","1.028","","","","has coordinates,has disorder","224707","2020-10-21","18:00:00",""
"7058506","13.6604","0.0004","10.0147","0.0003","12.6251","0.0003","90","","99.643","0.003","90","","1702.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O S -","- C22 H14 N2 O S -","- C88 H56 N8 O4 S4 -","4","1","","Kundu, Bidyut Kumar; Pragti, Pragti; Reena, Reena; Mobin, Shaikh M.; Mukhopadhyay, Suman","Mechanistic and thermodynamic aspects of a pyrene-based fluorescent probe to detect picric acid","New Journal of Chemistry","2019","43","29","11483","","10.1039/C9NJ02342A","","","0.71073","MoKα","","0.1423","0.0849","","","0.2467","0.3153","","","","","","1.083","","","","has coordinates","224671","2020-10-21","18:00:00",""
"7058507","18.9402","0.0004","8.5785","0.0002","23.165","0.0006","90","","90.691","0.002","90","","3763.54","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Fe N6 S -","- C44 H34 Fe N6 S -","- C176 H136 Fe4 N24 S4 -","4","1","","Rout, Yogajivan; Mobin, Shaikh M.; Misra, Rajneesh","Tetracyanobutadiene (TCBD) functionalized benzothiadiazole derivatives: effect of donor strength on the [2+2] cycloaddition‒retroelectrocyclization reaction","New Journal of Chemistry","2019","43","31","12299","","10.1039/C9NJ01887E","","","1.54184","CuKα","","0.0781","0.0617","","","0.165","0.1863","","","","","","1.061","","","","has coordinates","224901","2020-10-21","18:00:00",""
"7058508","20.7093","0.0014","15.2374","0.0009","19.1923","0.0011","90","","97.834","0.003","90","","5999.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- N2 Na7 O67 V19 -","- N2 Na7 O67 V19 -","- N8 Na28 O268 V76 -","4","1","","Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Mukhopadhyay, Subhabrata -; Das, Samar K.","A fully reduced {V18IVO42} host and VO43‒, Cl‒ as guest anions: synthesis, characterization and proton conductivity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01918A","","","0.71073","MoKα","","0.0546","0.0512","","","0.1389","0.1414","","","","","","1.041","","","","has coordinates","216440","2020-10-21","18:00:00",""
"7058509","12.8267","0.0008","12.8267","0.0008","33.368","0.002","90","","90","","120","","4754.3","0.5","301","2","301","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Compound 2","","- Cl N8 Na5 O64 V18 -","- Cl N8 Na5 O64 V18 -","- Cl3 N24 Na15 O192 V54 -","3","0.5","","Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Mukhopadhyay, Subhabrata -; Das, Samar K.","A fully reduced {V18IVO42} host and VO43‒, Cl‒ as guest anions: synthesis, characterization and proton conductivity","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01918A","","","0.71073","MoKα","","0.0296","0.0291","","","0.0809","0.0811","","","","","","1.105","","","","has coordinates","216440","2020-10-21","18:00:00",""
"7058510","10.729","0.0004","19.7011","0.0008","7.6835","0.0003","90","","93.613","0.001","90","","1620.86","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Fe N O2 P -","- C19 H14 Fe N O2 P -","- C76 H56 Fe4 N4 O8 P4 -","4","1","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.0267","0.0237","","","0.0583","0.0597","","","","","","1.069","","","","has coordinates","224675","2020-10-21","18:00:00",""
"7058511","10.3726","0.0005","9.1257","0.0005","19.301","0.0011","90","","94.845","0.002","90","","1820.45","0.17","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Au Cl Fe N P -","- C17 H22 Au Cl Fe N P -","- C68 H88 Au4 Cl4 Fe4 N4 P4 -","4","1","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.0147","0.013","","","0.0262","0.0266","","","","","","1.065","","","","has coordinates,has disorder","224675","2020-10-21","18:00:00",""
"7058512","9.1821","0.0003","20.4012","0.0006","12.1762","0.0004","90","","105.018","0.001","90","","2203.01","0.12","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Au2 F12 Fe2 N2 O4 P2 Sb2 -","- C38 H28 Au2 F12 Fe2 N2 O4 P2 Sb2 -","- C76 H56 Au4 F24 Fe4 N4 O8 P4 Sb4 -","2","0.5","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.0207","0.0174","","","0.0345","0.0354","","","","","","1.053","","","","has coordinates","224675","2020-10-21","18:00:00",""
"7058513","10.8892","0.0004","8.6369","0.0003","20.4246","0.0007","90","","97.231","0.001","90","","1905.63","0.12","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Au Cl Fe N O2 P -","- C19 H14 Au Cl Fe N O2 P -","- C76 H56 Au4 Cl4 Fe4 N4 O8 P4 -","4","1","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.0163","0.0143","","","0.0304","0.031","","","","","","1.086","","","","has coordinates","224675","2020-10-21","18:00:00",""
"7058514","9.0034","0.0005","14.2805","0.0008","17.7023","0.0011","90","","99.915","0.002","90","","2242","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Au Cl Fe N P -","- C23 H30 Au Cl Fe N P -","- C92 H120 Au4 Cl4 Fe4 N4 P4 -","4","1","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.0229","0.0182","","","0.0348","0.0359","","","","","","1.048","","","","has coordinates","224675","2020-10-21","18:00:00",""
"7058515","13.757","0.0004","10.0313","0.0003","14.6288","0.0004","90","","110.809","0.001","90","","1887.1","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Fe2 N2 -","- C22 H16 Br2 Fe2 N2 -","- C88 H64 Br8 Fe8 N8 -","4","1","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.022","0.0193","","","0.0447","0.0457","","","","","","1.085","","","","has coordinates","224675","2020-10-21","18:00:00",""
"7058516","11.5339","0.0013","12.0079","0.0014","39.793","0.005","87.71","0.004","85","0.004","86.529","0.004","5476.9","1.1","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H66 Au2 F12 Fe2 N2 O P2 Sb2 -","- C49 H66 Au2 F12 Fe2 N2 O P2 Sb2 -","- C196 H264 Au8 F48 Fe8 N8 O4 P8 Sb8 -","4","2","","Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr","Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands","New Journal of Chemistry","2019","43","28","11258","","10.1039/C9NJ02555C","","","0.71073","MoKα","","0.0486","0.0415","","","0.0787","0.0803","","","","","","1.221","","","","has coordinates","224675","2020-10-21","18:00:00",""
"7058517","11.7489","0.001","12.6748","0.0011","13.5235","0.0012","92.726","0.003","106.873","0.003","117.004","0.003","1678.6","0.3","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C29 H31 Cl2 F6 N6 O4 P Ru -","- C29 H31 Cl2 F6 N6 O4 P Ru -","- C58 H62 Cl4 F12 N12 O8 P2 Ru2 -","2","1","","Sasaki, Isabelle; Amabilino, Silvia; Mallet-Ladeira, Sonia; Tassé, Marine; Sournia-Saquet, Alix; Lacroix, Pascal G.; Malfant, Isabelle","Further studies on the photoreactivities of ruthenium‒nitrosyl complexes with terpyridyl ligands","New Journal of Chemistry","2019","43","28","11241","","10.1039/C9NJ02398D","","","0.71073","MoKα","","0.0402","0.0315","","","0.0714","0.076","","","","","","1.041","","","","has coordinates","224681","2020-10-21","18:00:00",""
"7058518","8.5133","0.0009","39.637","0.004","10.0803","0.0011","90","","106.784","0.003","90","","3256.6","0.6","298","2","298","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cl2 F6 N5 P Ru -","- C27 H27 Cl2 F6 N5 P Ru -","- C108 H108 Cl8 F24 N20 P4 Ru4 -","4","0.5","","Sasaki, Isabelle; Amabilino, Silvia; Mallet-Ladeira, Sonia; Tassé, Marine; Sournia-Saquet, Alix; Lacroix, Pascal G.; Malfant, Isabelle","Further studies on the photoreactivities of ruthenium‒nitrosyl complexes with terpyridyl ligands","New Journal of Chemistry","2019","43","28","11241","","10.1039/C9NJ02398D","","","0.71073","MoKα","","0.0715","0.047","","","0.1064","0.1175","","","","","","1.082","","","","has coordinates,has disorder","224681","2020-10-21","18:00:00",""
"7058519","25.0164","0.0018","15.6581","0.0011","14.4095","0.0011","90","","90","","90","","5644.3","0.7","100","2","100","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C27 H24 Cl2 F3 N5 O3 Ru -","- C27 H24 Cl2 F3 N5 O3 Ru -","- C216 H192 Cl16 F24 N40 O24 Ru8 -","8","1","","Sasaki, Isabelle; Amabilino, Silvia; Mallet-Ladeira, Sonia; Tassé, Marine; Sournia-Saquet, Alix; Lacroix, Pascal G.; Malfant, Isabelle","Further studies on the photoreactivities of ruthenium‒nitrosyl complexes with terpyridyl ligands","New Journal of Chemistry","2019","43","28","11241","","10.1039/C9NJ02398D","","","0.71073","MoKα","","0.1138","0.0812","","","0.2006","0.226","","","","","","1.076","","","","has coordinates,has disorder","224681","2020-10-21","18:00:00",""
"7058520","11.546","0.004","12.407","0.004","13.352","0.004","97.082","0.012","100.947","0.013","116.663","0.013","1630.1","1","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C25 H23 Cl2 F6 N6 O3 P Ru -","- C25 H23 Cl2 F6 N6 O3 P Ru -","- C50 H46 Cl4 F12 N12 O6 P2 Ru2 -","2","1","","Sasaki, Isabelle; Amabilino, Silvia; Mallet-Ladeira, Sonia; Tassé, Marine; Sournia-Saquet, Alix; Lacroix, Pascal G.; Malfant, Isabelle","Further studies on the photoreactivities of ruthenium‒nitrosyl complexes with terpyridyl ligands","New Journal of Chemistry","2019","43","28","11241","","10.1039/C9NJ02398D","","","0.71073","MoKα","","0.0526","0.042","","","0.1187","0.1274","","","","","","1.074","","","","has coordinates,has disorder","224681","2020-10-21","18:00:00",""
"7058521","9.384","0.003","15.712","0.006","17.847","0.007","65.553","0.012","86.379","0.01","80.78","0.011","2364.5","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H112 Ag4 N16 O8 S2 -","- C96 H112 Ag4 N16 O8 S2 -","- C96 H112 Ag4 N16 O8 S2 -","1","0.5","","Chou, Chang-Chuan; Lai, Yu-Ting; Yang, Chia-Chi; Kuo, Ting-Sen","Rapid access to sulfate-encapsulated symmetrical and asymmetrical capsules based on silver‒pyrazole complex cations","New Journal of Chemistry","2019","43","27","10680","","10.1039/C9NJ02105A","","","0.71073","MoKα","","0.0798","0.0398","","","0.0821","0.1032","","","","","","1.057","","","","has coordinates","224701","2020-10-21","18:00:00",""
"7058522","11.6173","0.0004","14.1867","0.0005","20.5791","0.0005","95.813","0.001","105.926","0.001","94.001","0.001","3227.79","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H102 Ag2 N10 O5 S -","- C55 H102 Ag2 N10 O5 S -","- C110 H204 Ag4 N20 O10 S2 -","2","1","","Chou, Chang-Chuan; Lai, Yu-Ting; Yang, Chia-Chi; Kuo, Ting-Sen","Rapid access to sulfate-encapsulated symmetrical and asymmetrical capsules based on silver‒pyrazole complex cations","New Journal of Chemistry","2019","43","27","10680","","10.1039/C9NJ02105A","","","0.71073","MoKα","","0.0494","0.0421","","","0.111","0.1182","","","","","","1","","","","has coordinates,has disorder","224701","2020-10-21","18:00:00",""
"7058523","21.6261","0.0011","13.7166","0.0006","29.3214","0.0011","90","","107.517","0.001","90","","8294.5","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H72 Cu2 N12 O4 S -","- C90 H72 Cu2 N12 O4 S -","- C360 H288 Cu8 N48 O16 S4 -","4","0.5","","Chou, Chang-Chuan; Lai, Yu-Ting; Yang, Chia-Chi; Kuo, Ting-Sen","Rapid access to sulfate-encapsulated symmetrical and asymmetrical capsules based on silver‒pyrazole complex cations","New Journal of Chemistry","2019","43","27","10680","","10.1039/C9NJ02105A","","","0.71073","MoKα","","0.0437","0.0359","","","0.1031","0.1089","","","","","","1.062","","","","has coordinates,has disorder","224701","2020-10-21","18:00:00",""
"7058524","12.1323","0.0005","17.6149","0.0006","35.9629","0.0014","90","","91.781","0.001","90","","7681.9","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H72 Ag2 N12 O4 S -","- C90 H72 Ag2 N12 O4 S -","- C360 H288 Ag8 N48 O16 S4 -","4","1","","Chou, Chang-Chuan; Lai, Yu-Ting; Yang, Chia-Chi; Kuo, Ting-Sen","Rapid access to sulfate-encapsulated symmetrical and asymmetrical capsules based on silver‒pyrazole complex cations","New Journal of Chemistry","2019","43","27","10680","","10.1039/C9NJ02105A","","","0.71073","MoKα","","0.032","0.0261","","","0.0647","0.069","","","","","","1.036","","","","has coordinates","224701","2020-10-21","18:00:00",""
"7058525","9.1234","0.0006","12.7495","0.0008","9.6022","0.0006","90","","116.321","0.001","90","","1001.12","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","'C26 H18 O Se, O'","","- C26 H18 O2 Se -","- C26 H18 O2 Se -","- C52 H36 O4 Se2 -","2","1","","Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko","A reversible and turn-on type fluorescence behaviour of hydrogen sulfide via a redox cycle between selenoxide and selenide","New Journal of Chemistry","2019","43","29","11643","","10.1039/C9NJ02813G","","","0.71073","MoKα","","0.0361","0.033","","","0.0734","0.0745","","","","","","1.038","","","","has coordinates","224672","2020-10-21","18:00:00",""
"7058526","10.3946","0.0006","11.3394","0.0007","12.8696","0.0008","90.704","0.001","98.331","0.002","92.822","0.001","1498.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","'C30 H20 O Se, C2 H2 Cl6'","","- C32 H22 Cl6 O Se -","- C32 H22 Cl6 O Se -","- C64 H44 Cl12 O2 Se2 -","2","1","","Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko","A reversible and turn-on type fluorescence behaviour of hydrogen sulfide via a redox cycle between selenoxide and selenide","New Journal of Chemistry","2019","43","29","11643","","10.1039/C9NJ02813G","","","0.71073","MoKα","","0.0585","0.0463","","","0.1112","0.1196","","","","","","1.011","","","","has coordinates","224672","2020-10-21","18:00:00",""
"7058527","9.6231","0.0011","10.2676","0.0012","11.9457","0.0014","70.809","0.002","72.969","0.002","69.253","0.002","1021.4","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl N Te -","- C21 H22 Cl N Te -","- C42 H44 Cl2 N2 Te2 -","2","1","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0375","0.0326","","","0.07","0.0722","","","","","","1.034","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058528","15.612","0.0012","10.4144","0.0008","16.0155","0.0012","90","","110.882","0.001","90","","2432.9","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 I N2 Te -","- C24 H29 I N2 Te -","- C96 H116 I4 N8 Te4 -","4","1","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0454","0.0407","","","0.082","0.0839","","","","","","1.208","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058529","13.3319","0.0014","13.3319","0.0014","13.02","0.003","90","","90","","120","","2004.1","0.5","297","2","297","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C27 H36 Cl N3 O Te -","- C27 H36 Cl N3 O Te -","- C81 H108 Cl3 N9 O3 Te3 -","3","0.333333","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0306","0.0296","","","0.0558","0.0563","","","","","","1.019","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058530","9.057","0.0007","27.374","0.002","17.6459","0.0014","90","","92.215","0.002","90","","4371.6","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H46 Cl4 N2 Te2 -","- C43 H46 Cl4 N2 Te2 -","- C172 H184 Cl16 N8 Te8 -","4","1","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0805","0.0606","","","0.1208","0.1274","","","","","","1.165","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058531","11.058","0.002","10.259","0.002","17.37","0.004","90","","100.32","0.004","90","","1938.6","0.7","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl N2 O Te -","- C18 H25 Cl N2 O Te -","- C72 H100 Cl4 N8 O4 Te4 -","4","1","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0476","0.0366","","","0.07","0.0737","","","","","","1.052","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058532","9.9565","0.0014","17.087","0.003","14.892","0.002","90","","106.707","0.002","90","","2426.6","0.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Br N2 O Te -","- C24 H31 Br N2 O Te -","- C96 H124 Br4 N8 O4 Te4 -","4","1","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0481","0.04","","","0.0816","0.0846","","","","","","1.126","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058533","9.0364","0.0007","9.9969","0.0008","27.008","0.002","90","","93.424","0.001","90","","2435.4","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl N2 O Te -","- C24 H31 Cl N2 O Te -","- C96 H124 Cl4 N8 O4 Te4 -","4","1","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0382","0.0333","","","0.075","0.0772","","","","","","1.09","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058534","23.61","0.003","8.978","0.001","20.371","0.002","90","","104.827","0.002","90","","4174.3","0.8","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 I N Te -","- C21 H22 I N Te -","- C168 H176 I8 N8 Te8 -","8","2","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0935","0.0697","","","0.1167","0.1247","","","","","","1.245","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058535","8.8011","0.0009","10.7748","0.001","12.1648","0.0012","85.346","0.002","79.733","0.002","68.143","0.002","1053.38","0.18","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H6 Cu2 Fe3 N2 O9 Se -","- C13 H6 Cu2 Fe3 N2 O9 Se -","- C26 H12 Cu4 Fe6 N4 O18 Se2 -","2","1","","Shieh, Minghuey; Liu, Yu-Hsin; Wang, Chih-Chin; Jian, Si-Huan; Lin, Chien-Nan; Chen, Yen-Ming; Huang, Chung-Yi","A comparative study on NHC-functionalized ternary Se/Te‒Fe‒Cu compounds: synthesis, catalysis, and the effect of chalcogens","New Journal of Chemistry","2019","43","30","11832","","10.1039/C9NJ02051A","","","0.71073","MoKα","","0.0273","0.0215","","","0.046","0.0476","","","","","","1.04","","","","has coordinates","224895","2020-10-21","18:00:00",""
"7058536","13.8056","0.0003","13.7351","0.0003","14.3112","0.0004","90","","101.793","0.001","90","","2656.43","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cu2 Fe3 N4 O9 Se -","- C19 H16 Cu2 Fe3 N4 O9 Se -","- C76 H64 Cu8 Fe12 N16 O36 Se4 -","4","1","","Shieh, Minghuey; Liu, Yu-Hsin; Wang, Chih-Chin; Jian, Si-Huan; Lin, Chien-Nan; Chen, Yen-Ming; Huang, Chung-Yi","A comparative study on NHC-functionalized ternary Se/Te‒Fe‒Cu compounds: synthesis, catalysis, and the effect of chalcogens","New Journal of Chemistry","2019","43","30","11832","","10.1039/C9NJ02051A","","","0.71073","MoKα","","0.0718","0.055","","","0.1425","0.1666","","","","","","1.359","","","","has coordinates","224895","2020-10-21","18:00:00",""
"7058537","10.211","0.002","18.962","0.004","16.852","0.003","90","","105.308","0.006","90","","3147.1","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cu2 Fe3 N4 O9 Se -","- C27 H20 Cu2 Fe3 N4 O9 Se -","- C108 H80 Cu8 Fe12 N16 O36 Se4 -","4","1","","Shieh, Minghuey; Liu, Yu-Hsin; Wang, Chih-Chin; Jian, Si-Huan; Lin, Chien-Nan; Chen, Yen-Ming; Huang, Chung-Yi","A comparative study on NHC-functionalized ternary Se/Te‒Fe‒Cu compounds: synthesis, catalysis, and the effect of chalcogens","New Journal of Chemistry","2019","43","30","11832","","10.1039/C9NJ02051A","","","0.71073","MoKα","","0.0857","0.0409","","","0.088","0.0989","","","","","","0.907","","","","has coordinates","224895","2020-10-21","18:00:00",""
"7058538","8.3228","0.0005","23.245","0.0016","15.4952","0.0007","90","","103.387","0.003","90","","2916.3","0.3","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl4 Cu2 Fe3 N4 O9 Se -","- C19 H12 Cl4 Cu2 Fe3 N4 O9 Se -","- C76 H48 Cl16 Cu8 Fe12 N16 O36 Se4 -","4","1","","Shieh, Minghuey; Liu, Yu-Hsin; Wang, Chih-Chin; Jian, Si-Huan; Lin, Chien-Nan; Chen, Yen-Ming; Huang, Chung-Yi","A comparative study on NHC-functionalized ternary Se/Te‒Fe‒Cu compounds: synthesis, catalysis, and the effect of chalcogens","New Journal of Chemistry","2019","43","30","11832","","10.1039/C9NJ02051A","","","0.71073","MoKα","","0.0999","0.0801","","","0.2146","0.2301","","","","","","1.092","","","","has coordinates","224895","2020-10-21","18:00:00",""
"7058539","12.115","0.005","12.288","0.006","15.442","0.007","107.607","0.005","99.965","0.006","108.614","0.004","1981.9","1.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 Cu2 Fe3 N4 O9 Se -","- C35 H36 Cu2 Fe3 N4 O9 Se -","- C70 H72 Cu4 Fe6 N8 O18 Se2 -","2","1","","Shieh, Minghuey; Liu, Yu-Hsin; Wang, Chih-Chin; Jian, Si-Huan; Lin, Chien-Nan; Chen, Yen-Ming; Huang, Chung-Yi","A comparative study on NHC-functionalized ternary Se/Te‒Fe‒Cu compounds: synthesis, catalysis, and the effect of chalcogens","New Journal of Chemistry","2019","43","30","11832","","10.1039/C9NJ02051A","","","0.71073","MoKα","","0.0888","0.0502","","","0.1062","0.1241","","","","","","0.988","","","","has coordinates","224895","2020-10-21","18:00:00",""
"7058540","9.1706","0.0002","11.5525","0.0002","15.4622","0.0003","109.451","0.0016","93.1694","0.0016","112.197","0.0018","1399.05","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N5 O5 V -","- C30 H32 N5 O5 V -","- C60 H64 N10 O10 V2 -","2","1","","Mohanty, Monalisa; MAURYA, Shailendra K; Banerjee, Atanu; Patra, Sushree Aradhana; Maurya, Mannar Ram; Crochet, Aurelien; Brzezinski, Krzysztof; Dinda, Rupam","In vitro cytotoxicity and catalytic evaluation of dioxidovanadium(V) complexes in azohydrazone ligand environment","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01815H","","x-ray","1.54184","CuKα","","0.0394","0.0389","","","0.1122","0.1129","","","","","","1.092","","","","has coordinates,has disorder","216606","2020-10-21","18:00:00",""
"7058541","6.879","0.0003","8.5804","0.0003","22.3944","0.0011","90","","91.071","0.004","90","","1321.59","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O5 V -","- C26 H30 N5 O5 V -","- C52 H60 N10 O10 V2 -","2","1","","Mohanty, Monalisa; MAURYA, Shailendra K; Banerjee, Atanu; Patra, Sushree Aradhana; Maurya, Mannar Ram; Crochet, Aurelien; Brzezinski, Krzysztof; Dinda, Rupam","In vitro cytotoxicity and catalytic evaluation of dioxidovanadium(V) complexes in azohydrazone ligand environment","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01815H","","x-ray","0.71073","MoKα","","0.088","0.0643","","","0.1478","0.1607","","","","","","1.003","","","","has coordinates","216606","2020-10-21","18:00:00",""
"7058542","6.9776","0.0006","8.6271","0.0007","22.0397","0.0018","90","","94.002","0.007","90","","1323.48","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O4 V -","- C26 H30 N5 O4 V -","- C52 H60 N10 O8 V2 -","2","1","","Mohanty, Monalisa; MAURYA, Shailendra K; Banerjee, Atanu; Patra, Sushree Aradhana; Maurya, Mannar Ram; Crochet, Aurelien; Brzezinski, Krzysztof; Dinda, Rupam","In vitro cytotoxicity and catalytic evaluation of dioxidovanadium(V) complexes in azohydrazone ligand environment","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01815H","","x-ray","0.71073","MoKα","","0.1219","0.0499","","","0.0919","0.1164","","","","","","0.873","","","","has coordinates","216606","2020-10-21","18:00:00",""
"7058543","13.0757","0.0004","11.9628","0.0004","13.238","0.0005","90","","92.813","0.001","90","","2068.22","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C96 H116 N12 -","4","1","","Moreno da Costa, David; Borja, Luis; Verdugo, Camilo; Martinez, Javier; Quintero, Celso; Jaque, Pablo; Trofymchuk, Oleksandra S.; Daniliuc, Constantin G.; Cabrera, Alan R.; Rojas, Rene S.","Unexpected intramolecular N-arylcyano-β-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","43","30","12059","","10.1039/C9NJ02499A","","","1.54178","CuKα","","0.0418","0.0365","","","0.0879","0.0913","","","","","","1.072","","","","has coordinates,has disorder","224898","2020-10-21","18:00:00",""
"7058544","25.7345","0.0009","11.2523","0.0004","18.8485","0.0006","90","","124.671","0.002","90","","4488.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 O2 -","- C26 H24 N4 O2 -","- C208 H192 N32 O16 -","8","1","","Moreno da Costa, David; Borja, Luis; Verdugo, Camilo; Martinez, Javier; Quintero, Celso; Jaque, Pablo; Trofymchuk, Oleksandra S.; Daniliuc, Constantin G.; Cabrera, Alan R.; Rojas, Rene S.","Unexpected intramolecular N-arylcyano-β-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","43","30","12059","","10.1039/C9NJ02499A","","","1.54178","CuKα","","0.0552","0.0427","","","0.1087","0.1163","","","","","","1.059","","","","has coordinates","224898","2020-10-21","18:00:00",""
"7058545","9.12","0.0002","26.069","0.0006","10.7107","0.0002","90","","101.921","0.001","90","","2491.54","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Al N4 O2 -","- C28 H29 Al N4 O2 -","- C112 H116 Al4 N16 O8 -","4","1","","Moreno da Costa, David; Borja, Luis; Verdugo, Camilo; Martinez, Javier; Quintero, Celso; Jaque, Pablo; Trofymchuk, Oleksandra S.; Daniliuc, Constantin G.; Cabrera, Alan R.; Rojas, Rene S.","Unexpected intramolecular N-arylcyano-β-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","43","30","12059","","10.1039/C9NJ02499A","","","1.54178","CuKα","","0.0418","0.0353","","","0.0907","0.094","","","","","","1.056","","","","has coordinates","224898","2020-10-21","18:00:00",""
"7058546","13.9523","0.0004","5.01793","0.00014","14.7127","0.0003","90","","91.339","0.0014","90","","1029.78","0.05","171","","171","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 S6 -","- C16 H22 N2 S6 -","- C32 H44 N4 S12 -","2","0.5","","Ryo, Suho; Yoo, Dongho; Iijima, Kodai; Sato, Ryonosuke; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Temperature-dependent characteristics of n-channel transistors based on 5,5′-bithiazolidinylidene-2,4,2′,4′-tetrathiones","New Journal of Chemistry","2019","43","30","11865","","10.1039/C9NJ02731A","","","1.54187","CuKα","","0.0571","0.0471","","","0.1121","0.1248","","","","","","1.101","","","","has coordinates","224896","2020-10-21","18:00:00",""
"7058547","14.97","0.008","5.028","0.004","15.075","0.006","90","","90.05","0.04","90","","1134.7","1.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 S6 -","- C18 H26 N2 S6 -","- C36 H52 N4 S12 -","2","0.5","","Ryo, Suho; Yoo, Dongho; Iijima, Kodai; Sato, Ryonosuke; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Temperature-dependent characteristics of n-channel transistors based on 5,5′-bithiazolidinylidene-2,4,2′,4′-tetrathiones","New Journal of Chemistry","2019","43","30","11865","","10.1039/C9NJ02731A","","","0.71069","MoKα","","0.1824","0.0694","","","0.1802","0.2494","","","","","","0.985","","","","has coordinates","224896","2020-10-21","18:00:00",""
"7058548","8.678","0.003","8.791","0.003","13.536","0.005","101.547","0.012","99.354","0.011","103.124","0.01","961.6","0.6","94","2","94","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl2 Co N6 O2 -","- C18 H16 Cl2 Co N6 O2 -","- C36 H32 Cl4 Co2 N12 O4 -","2","1","","Azarkamanzad, Zahra; Farzaneh, Faezeh; Maghami, Mahboobeh; Simpson, Jim","Synthesis, crystal structure and immobilization of a new cobalt(ii) complex with a 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand on modified magnetic nanoparticles as a catalyst for the oxidation of alkanes","New Journal of Chemistry","2019","43","30","12020","","10.1039/C9NJ02055A","","","0.71073","MoKα","","0.1336","0.1046","","","0.2536","0.2658","","","","","","1.191","","","","has coordinates,has disorder","224900","2020-10-21","18:00:00",""
"7058549","7.0086","0.0009","8.3881","0.0009","13.5011","0.0009","93.465","0.007","94.684","0.008","110.405","0.011","738.06","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl Cu N4 S -","- C14 H13 Cl Cu N4 S -","- C28 H26 Cl2 Cu2 N8 S2 -","2","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","1.54184","CuKα","","0.062","0.0464","","","0.1102","0.1235","","","","","","1.012","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058550","13.7061","0.0005","14.2341","0.0004","14.124","0.0005","90","","108.471","0.004","90","","2613.56","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br Cu N4 S -","- C10 H13 Br Cu N4 S -","- C80 H104 Br8 Cu8 N32 S8 -","8","2","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","1.54184","CuKα","","0.0581","0.0489","","","0.1261","0.1365","","","","","","1.056","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058551","18.7866","0.0008","7.9389","0.0003","17.1374","0.0007","90","","116.104","0.005","90","","2295.24","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cu I N4 S -","- C8 H9 Cu I N4 S -","- C64 H72 Cu8 I8 N32 S8 -","8","2","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","1.54184","CuKα","","0.0888","0.0731","","","0.1758","0.1947","","","","","","1.037","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058552","8.0789","0.0003","16.0989","0.0006","9.328","0.0003","90","","94.092","0.003","90","","1210.12","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Br Cu N4 S -","- C9 H11 Br Cu N4 S -","- C36 H44 Br4 Cu4 N16 S4 -","4","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","1.54184","CuKα","","0.0626","0.0563","","","0.1455","0.1544","","","","","","1.012","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058553","8.1357","0.0004","16.4099","0.0006","9.5115","0.0003","90","","96.239","0.003","90","","1262.32","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cu I N4 S -","- C9 H11 Cu I N4 S -","- C36 H44 Cu4 I4 N16 S4 -","4","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","0.71073","MoKα","","0.0751","0.0467","","","0.0978","0.1157","","","","","","1.038","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058554","18.4808","0.0004","7.8416","0.0001","16.8857","0.0004","90","","117.093","0.003","90","","2178.54","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Br Cu N4 S -","- C8 H9 Br Cu N4 S -","- C64 H72 Br8 Cu8 N32 S8 -","8","2","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","1.54184","CuKα","","0.042","0.0382","","","0.11","0.1141","","","","","","1.026","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058555","10.7","0.0003","8.889","0.0004","14.2638","0.0004","90","","93.277","0.002","90","","1354.44","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cu I N4 S -","- C10 H13 Cu I N4 S -","- C40 H52 Cu4 I4 N16 S4 -","4","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans","New Journal of Chemistry","2019","43","29","11727","","10.1039/C9NJ01459D","","x-ray","1.54184","CuKα","","0.0547","0.0496","","","0.1263","0.1328","","","","","","1.059","","","","has coordinates","224673","2020-10-21","18:00:00",""
"7058556","10.3206","0.0003","10.22","0.0003","15.6269","0.0004","90","","106.774","0.002","90","","1578.14","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O2 S2 Zn -","- C13 H15 N3 O2 S2 Zn -","- C52 H60 N12 O8 S8 Zn4 -","4","1","","Cavalcante, Cássia de Q. O.; Arcanjo, Daniel da S.; Silva, Guilherme G. da; Oliveira, Diêgo M. de; Gatto, Claudia C.","Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines","New Journal of Chemistry","2019","43","28","11209","","10.1039/C9NJ01814J","","","0.71073","MoKα","","0.0543","0.0335","","","0.0676","0.0755","","","","","","1.033","","","","has coordinates","224682","2020-10-21","18:00:00",""
"7058557","8.0988","0.0003","13.9935","0.0005","15.0098","0.0006","97.76","0.003","95.587","0.002","102.765","0.002","1629.53","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 N8 O4 S4 Zn -","- C30 H26 N8 O4 S4 Zn -","- C60 H52 N16 O8 S8 Zn2 -","2","1","","Cavalcante, Cássia de Q. O.; Arcanjo, Daniel da S.; Silva, Guilherme G. da; Oliveira, Diêgo M. de; Gatto, Claudia C.","Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines","New Journal of Chemistry","2019","43","28","11209","","10.1039/C9NJ01814J","","","0.71073","MoKα","","0.0758","0.0418","","","0.0871","0.1022","","","","","","1.044","","","","has coordinates","224682","2020-10-21","18:00:00",""
"7058558","9.3364","0.0005","14.9577","0.0006","11.9459","0.0005","90","","91.079","0.003","90","","1667.96","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","C15 H13 Br N3 Ni0.50 S2","","- C15 H13 Br N3 Ni0.5 S2 -","- C15 H13 Br N3 Ni0.5 S2 -","- C60 H52 Br4 N12 Ni2 S8 -","4","1","","Cavalcante, Cássia de Q. O.; Arcanjo, Daniel da S.; Silva, Guilherme G. da; Oliveira, Diêgo M. de; Gatto, Claudia C.","Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines","New Journal of Chemistry","2019","43","28","11209","","10.1039/C9NJ01814J","","","0.71073","MoKα","","0.109","0.05","","","0.1042","0.1312","","","","","","1.039","","","","has coordinates","224682","2020-10-21","18:00:00",""
"7058559","9.2468","0.0004","13.9455","0.0005","16.4951","0.0006","84.933","0.002","82.256","0.002","76.856","0.002","2048.78","0.14","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H32 Br2 Cl0 N6 O4 S4 Zn2 -","- C34 H32 Br2 N6 O4 S4 Zn2 -","- C68 H64 Br4 N12 O8 S8 Zn4 -","2","1","","Cavalcante, Cássia de Q. O.; Arcanjo, Daniel da S.; Silva, Guilherme G. da; Oliveira, Diêgo M. de; Gatto, Claudia C.","Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines","New Journal of Chemistry","2019","43","28","11209","","10.1039/C9NJ01814J","","","0.71073","MoKα","","0.0779","0.0443","","","0.1031","0.1151","","","","","","1.008","","","","has coordinates","224682","2020-10-21","18:00:00",""
"7058560","31.1873","0.0007","9.27","0.0002","9.4527","0.0002","90","","101.113","0.001","90","","2681.59","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethyl- ferrocenyl-telluronium iodide","","- C11.98 H14.94 Fe I1.02 Te -","- C11.9788 H14.9364 Fe I1.0212 Te -","- C95.8304 H119.491 Fe8 I8.1696 Te8 -","8","1","","Torubaev, Yury V.; Dolgushin, Fedor M.; Skabitsky, Ivan V.; Popova, Alexandra E.","Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc)","New Journal of Chemistry","2019","43","31","12225","","10.1039/C9NJ02318F","","","0.71073","MoKα","","0.0339","0.0275","","","0.0473","0.0489","","","","","","1.117","","","","has coordinates,has disorder","224908","2020-10-21","18:00:00",""
"7058561","12.2569","0.0007","18.8047","0.0011","9.8254","0.0006","90","","97.543","0.001","90","","2245","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diiodo-methyl-phenyl-tellurium","","- C7 H8 I2 Te -","- C7 H8 I2 Te -","- C56 H64 I16 Te8 -","8","2","","Torubaev, Yury V.; Dolgushin, Fedor M.; Skabitsky, Ivan V.; Popova, Alexandra E.","Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc)","New Journal of Chemistry","2019","43","31","12225","","10.1039/C9NJ02318F","","","0.71073","MoKα","","0.0362","0.0306","","","0.0707","0.0734","","","","","","1.057","","","","has coordinates,has disorder","224908","2020-10-21","18:00:00",""
"7058562","9.2752","0.0011","9.3588","0.0011","16.4985","0.0019","73.955","0.002","87.578","0.002","87.001","0.002","1373.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Diiodo-methyl-ferrocenyl-tellurium","","- C11 H12 Fe I2 Te -","- C11 H12 Fe I2 Te -","- C44 H48 Fe4 I8 Te4 -","4","2","","Torubaev, Yury V.; Dolgushin, Fedor M.; Skabitsky, Ivan V.; Popova, Alexandra E.","Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc)","New Journal of Chemistry","2019","43","31","12225","","10.1039/C9NJ02318F","","","0.71073","MoKα","","0.0879","0.0412","","","0.0679","0.0831","","","","","","0.975","","","","has coordinates","224908","2020-10-21","18:00:00",""
"7058563","31.555","0.004","9.3443","0.0012","9.5274","0.0012","90","","101.159","0.004","90","","2756.1","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethyl- ferrocenyl-telluronium iodide","","- C12.02 H14.77 Fe I Te -","- C12 H15 Fe I Te -","- C96 H120 Fe8 I8 Te8 -","8","1","","Torubaev, Yury V.; Dolgushin, Fedor M.; Skabitsky, Ivan V.; Popova, Alexandra E.","Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc)","New Journal of Chemistry","2019","43","31","12225","","10.1039/C9NJ02318F","","","0.71073","MoKα","","0.074","0.0411","","","0.0544","0.0619","","","","","","1.043","","","","has coordinates","224908","2020-10-21","18:00:00",""
"7058564","15.0541","0.0003","6.004","0.0001","9.8772","0.0002","90","","92.705","0.001","90","","891.75","0.03","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 O2 Se -","- C8 H14 O2 Se -","- C32 H56 O8 Se4 -","4","1","","Trautwein, Ralf; Abul-Futouh, Hassan; Görls, Helmar; Imhof, Wolfgang; Almazahreh, Laith R.; Weigand, Wolfgang","Sulphur‒sulphur, sulphur‒selenium, selenium‒selenium and selenium‒carbon bond activation using Fe3(CO)12: an unexpected formation of an Fe2(CO)6 complex containing a μ2,κ3-C,O,Se-ligand","New Journal of Chemistry","2019","43","32","12580","","10.1039/C9NJ02642H","","","0.71073","MoKα","","0.0335","0.0303","","","0.0693","0.0717","","","","","","1.026","","","","has coordinates","224739","2020-10-21","18:00:00",""
"7058565","11.937","0.0002","12.2072","0.0002","13.9728","0.0002","87.963","0.001","66.288","0.001","88.571","0.001","1862.89","0.05","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Fe2 O8 S2 -","- C14 H14 Fe2 O8 S2 -","- C56 H56 Fe8 O32 S8 -","4","2","","Trautwein, Ralf; Abul-Futouh, Hassan; Görls, Helmar; Imhof, Wolfgang; Almazahreh, Laith R.; Weigand, Wolfgang","Sulphur‒sulphur, sulphur‒selenium, selenium‒selenium and selenium‒carbon bond activation using Fe3(CO)12: an unexpected formation of an Fe2(CO)6 complex containing a μ2,κ3-C,O,Se-ligand","New Journal of Chemistry","2019","43","32","12580","","10.1039/C9NJ02642H","","","0.71073","MoKα","","0.0285","0.0261","","","0.0569","0.0586","","","","","","1.064","","","","has coordinates","224739","2020-10-21","18:00:00",""
"7058566","11.3209","0.0004","12.9715","0.0006","12.743","0.0004","90","","95.542","0.002","90","","1862.55","0.12","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Fe2 O8 S Se -","- C14 H10 Fe2 O8 S Se -","- C56 H40 Fe8 O32 S4 Se4 -","4","1","","Trautwein, Ralf; Abul-Futouh, Hassan; Görls, Helmar; Imhof, Wolfgang; Almazahreh, Laith R.; Weigand, Wolfgang","Sulphur‒sulphur, sulphur‒selenium, selenium‒selenium and selenium‒carbon bond activation using Fe3(CO)12: an unexpected formation of an Fe2(CO)6 complex containing a μ2,κ3-C,O,Se-ligand","New Journal of Chemistry","2019","43","32","12580","","10.1039/C9NJ02642H","","","0.71073","MoKα","","0.0454","0.0369","","","0.0856","0.091","","","","","","1.12","","","","has coordinates,has disorder","224739","2020-10-21","18:00:00",""
"7058567","11.3031","0.0002","13.0682","0.0002","12.8788","0.0002","90","","95.538","0.001","90","","1893.46","0.05","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe2 O8 Se2 -","- C14 H14 Fe2 O8 Se2 -","- C56 H56 Fe8 O32 Se8 -","4","1","","Trautwein, Ralf; Abul-Futouh, Hassan; Görls, Helmar; Imhof, Wolfgang; Almazahreh, Laith R.; Weigand, Wolfgang","Sulphur‒sulphur, sulphur‒selenium, selenium‒selenium and selenium‒carbon bond activation using Fe3(CO)12: an unexpected formation of an Fe2(CO)6 complex containing a μ2,κ3-C,O,Se-ligand","New Journal of Chemistry","2019","43","32","12580","","10.1039/C9NJ02642H","","","0.71073","MoKα","","0.024","0.0214","","","0.0493","0.0508","","","","","","1.068","","","","has coordinates","224739","2020-10-21","18:00:00",""
"7058568","8.4342","0.0003","8.4688","0.0003","14.238","0.0005","93.758","0.002","105.082","0.002","115.498","0.002","867.72","0.06","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Fe2 O8 Se -","- C14 H14 Fe2 O8 Se -","- C28 H28 Fe4 O16 Se2 -","2","1","","Trautwein, Ralf; Abul-Futouh, Hassan; Görls, Helmar; Imhof, Wolfgang; Almazahreh, Laith R.; Weigand, Wolfgang","Sulphur‒sulphur, sulphur‒selenium, selenium‒selenium and selenium‒carbon bond activation using Fe3(CO)12: an unexpected formation of an Fe2(CO)6 complex containing a μ2,κ3-C,O,Se-ligand","New Journal of Chemistry","2019","43","32","12580","","10.1039/C9NJ02642H","","","0.71073","MoKα","","0.0259","0.0239","","","0.0569","0.0588","","","","","","1.068","","","","has coordinates","224739","2020-10-21","18:00:00",""
"7058569","11.3262","0.0005","10.608","0.0004","15.3741","0.0007","90","","90","","90","","1847.17","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H3 N5 O8 -","- C5 H3 N5 O8 -","- C40 H24 N40 O64 -","8","1","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0333","0.0308","","","0.0843","0.0862","","","","","","1.066","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058570","6.5935","0.0011","7.7118","0.0014","11.559","0.002","90","","90","","90","","587.75","0.18","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 N3 O4 -","- C4 H3 N3 O4 -","- C16 H12 N12 O16 -","4","1","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0251","0.0246","","","0.0656","0.0661","","","","","","1.102","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058571","9.0328","0.0006","10.8978","0.0009","12.4228","0.001","90","","90","","90","","1222.87","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H3 N3 O4 -","- C4 H3 N3 O4 -","- C32 H24 N24 O32 -","8","1","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0533","0.0457","","","0.1429","0.1499","","","","","","1.024","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058572","15.7046","0.001","19.0277","0.001","8.456","0.0005","90","","90","","90","","2526.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H4 N4 O6 -","- C5 H4 N4 O6 -","- C60 H48 N48 O72 -","12","1.5","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0394","0.0375","","","0.1373","0.1399","","","","","","1.173","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058573","18.4517","0.0005","11.3315","0.0003","14.6402","0.0004","90","","94.439","0.002","90","","3051.87","0.14","294.55","0.1","294.55","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Co N5 O9 -","- C32 H30 Co N5 O9 -","- C128 H120 Co4 N20 O36 -","4","1","","Chai, Lan-Qin; Zhou, Ling; Zhang, Hong-Bin; Mao, Kuan-Hao; Zhang, Hong-Song","Antimicrobial activities of self-assembled copper(ii), nickel(ii), and cobalt(iii) complexes combined with crystallographic, spectroscopic, DFT calculations and Hirshfeld surfaces analyses","New Journal of Chemistry","2019","43","31","12417","","10.1039/C9NJ01920K","","","0.71073","MoKα","","0.0633","0.0452","","","0.0956","0.1098","","","","","","1.033","","","","has coordinates,has disorder","224909","2020-10-21","18:00:00",""
"7058574","22.4359","0.0015","9.3017","0.0003","17.2225","0.0011","90","","128.389","0.01","90","","2817.2","0.5","291.74","0.1","291.74","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O6 -","- C32 H30 N4 Ni O6 -","- C128 H120 N16 Ni4 O24 -","4","0.5","","Chai, Lan-Qin; Zhou, Ling; Zhang, Hong-Bin; Mao, Kuan-Hao; Zhang, Hong-Song","Antimicrobial activities of self-assembled copper(ii), nickel(ii), and cobalt(iii) complexes combined with crystallographic, spectroscopic, DFT calculations and Hirshfeld surfaces analyses","New Journal of Chemistry","2019","43","31","12417","","10.1039/C9NJ01920K","","","0.71073","MoKα","","0.0519","0.0414","","","0.0922","0.0986","","","","","","1.047","","","","has coordinates","224909","2020-10-21","18:00:00",""
"7058575","7.9369","0.0017","9.3422","0.0014","13.803","0.004","96.523","0.018","105.99","0.02","105.591","0.016","928","0.4","294.28","0.15","294.28","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cu N3 O7 -","- C17 H19 Cu N3 O7 -","- C34 H38 Cu2 N6 O14 -","2","1","","Chai, Lan-Qin; Zhou, Ling; Zhang, Hong-Bin; Mao, Kuan-Hao; Zhang, Hong-Song","Antimicrobial activities of self-assembled copper(ii), nickel(ii), and cobalt(iii) complexes combined with crystallographic, spectroscopic, DFT calculations and Hirshfeld surfaces analyses","New Journal of Chemistry","2019","43","31","12417","","10.1039/C9NJ01920K","","","0.71073","MoKα","","0.0898","0.0566","","","0.0908","0.1078","","","","","","1.054","","","","has coordinates","224909","2020-10-21","18:00:00",""
"7058576","10.205","0.009","6.629","0.006","12.045","0.011","90","","90","","90","","814.8","1.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","K2B4O5(OH)4","","","- B4 H4 K2 O9 -","- B4 H4 K2 O9 -","- B16 H16 K8 O36 -","4","0.5","","Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks","New Journal of Chemistry","2019","43","29","11660","","10.1039/C9NJ02543J","","","0.71073","MoKα","","0.0511","0.0376","","","0.0847","0.0906","","","","","","1.041","","","","has coordinates","224669","2020-10-21","18:00:00",""
"7058577","7.1689","0.0004","7.8464","0.0004","8.9736","0.0004","68.583","0.003","88.338","0.003","74.86","0.004","452.36","0.04","","","","","","","","","","","","4","P -1","-P 1","2","","","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","","Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks","New Journal of Chemistry","2019","43","29","11660","","10.1039/C9NJ02543J","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","224669","2020-10-21","18:00:00",""
"7058578","14.0683","0.0008","23.0888","0.0013","16.091","0.0009","90","","108.621","0.002","90","","4953.1","0.5","298","2","571","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 B Cu F4 Fe N4 P2 -","- C54 H42 B Cu F4 Fe N4 P2 -","- C216 H168 B4 Cu4 F16 Fe4 N16 P8 -","4","1","","Bravo, Catarina; Robalo, M. Paula; Marques, Fernanda; Fernandes, Alexandra R.; Sequeira, Diogo A.; M. Piedade, M. Fátima; Garcia, M. Helena; de Brito, Maria J. Villa; Morais, Tânia S.","First heterobimetallic Cu(i)‒dppf complexes designed for anticancer applications: synthesis, structural characterization and cytotoxicity","New Journal of Chemistry","2019","43","31","12308","","10.1039/C9NJ02068C","","","0.71073","MoKα","","0.078","0.06","","","0.1538","0.1752","","","","","","1.076","","","","has coordinates,has disorder","224902","2020-10-21","18:00:00",""
"7058579","11.3248","0.0006","16.702","0.0008","20.6229","0.0012","90","","93.495","0.002","90","","3893.5","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 B Cu F4 Fe N3 P2 -","- C46 H37 B Cu F4 Fe N3 P2 -","- C184 H148 B4 Cu4 F16 Fe4 N12 P8 -","4","1","","Bravo, Catarina; Robalo, M. Paula; Marques, Fernanda; Fernandes, Alexandra R.; Sequeira, Diogo A.; M. Piedade, M. Fátima; Garcia, M. Helena; de Brito, Maria J. Villa; Morais, Tânia S.","First heterobimetallic Cu(i)‒dppf complexes designed for anticancer applications: synthesis, structural characterization and cytotoxicity","New Journal of Chemistry","2019","43","31","12308","","10.1039/C9NJ02068C","","","0.71073","MoKα","","0.0516","0.0364","","","0.0962","0.1047","","","","","","0.969","","","","has coordinates","224902","2020-10-21","18:00:00",""
"7058580","16.1758","0.0005","15.3256","0.0004","18.3409","0.0005","90","","104.142","0.002","90","","4409","0.2","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 B Cl2 Cu F4 Fe N3 P2 -","- C47 H39 B Cl2 Cu F4 Fe N3 P2 -","- C188 H156 B4 Cl8 Cu4 F16 Fe4 N12 P8 -","4","1","","Bravo, Catarina; Robalo, M. Paula; Marques, Fernanda; Fernandes, Alexandra R.; Sequeira, Diogo A.; M. Piedade, M. Fátima; Garcia, M. Helena; de Brito, Maria J. Villa; Morais, Tânia S.","First heterobimetallic Cu(i)‒dppf complexes designed for anticancer applications: synthesis, structural characterization and cytotoxicity","New Journal of Chemistry","2019","43","31","12308","","10.1039/C9NJ02068C","","","0.71073","MoKα","","0.0643","0.0385","","","0.0842","0.094","","","","","","1.003","","","","has coordinates,has disorder","224902","2020-10-21","18:00:00",""
"7058581","10.7521","0.0008","15.6443","0.0011","18.243","0.0013","90","","90","","90","","3068.6","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N2 O11 V2 -","- C24 H38 N2 O11 V2 -","- C96 H152 N8 O44 V8 -","4","1","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.062","0.0512","","","0.1335","0.1424","","","","","","1.043","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058582","10.856","0.0003","11.7821","0.0004","13.1551","0.0004","74.534","0.002","82.691","0.001","71.735","0.001","1538.24","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H68 O14 P2 V2 -","- C70 H68 O14 P2 V2 -","- C70 H68 O14 P2 V2 -","1","0.5","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.0329","0.0284","","","0.0747","0.0784","","","","","","1.028","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058583","12.3039","0.0005","13.303","0.0004","18.5521","0.0009","90","","109.344","0.001","90","","2865.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 O10 V2 -","- C24 H36 N2 O10 V2 -","- C96 H144 N8 O40 V8 -","4","1","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.0485","0.0388","","","0.0971","0.1012","","","","","","1.066","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058584","11.6214","0.0004","13.4677","0.0005","25.1952","0.0008","90","","90","","90","","3943.4","0.2","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H36 N3 O8 V3 -","- C16 H12 O13 V3 -","- C64 H48 O52 V12 -","4","0.5","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.0555","0.0391","","","0.1073","0.1174","","","","","","1.053","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058585","7.4443","0.0004","18.6609","0.0012","13.3061","0.0008","90","","95.543","0.002","90","","1839.8","0.19","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N O5.5 V -","- C16 H26 N O5 V -","- C64 H104 N4 O20 V4 -","4","2","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.0917","0.0617","","","0.1565","0.176","","","","","","1.016","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058586","8.529","0.003","5.781","0.002","29.757","0.009","90","","92.78","0.04","90","","1465.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Br N O -","- C17 H18 Br N O -","- C68 H72 Br4 N4 O4 -","4","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.0425","0.0351","","","0.0887","0.0909","","","","","","0.992","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058587","23.529","0.004","8.275","0.002","21.903","0.004","90","","90.95","0.02","90","","4264","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br N O -","- C24 H32 Br N O -","- C192 H256 Br8 N8 O8 -","8","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.0824","0.037","","","0.0771","0.0843","","","","","","0.887","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058588","8.519","0.004","5.828","0.003","30.471","0.01","90","","93.41","0.04","90","","1510.2","1.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","1.54184","CuKα","","0.1","0.0545","","","0.1231","0.1351","","","","","","0.781","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058589","5.837","0.003","9.73","0.005","23.888","0.012","80.11","0.03","87.86","0.04","89.82","0.04","1335.6","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 N O Si -","- C29 H41 N O Si -","- C58 H82 N2 O2 Si2 -","2","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.1735","0.0583","","","0.075","0.0943","","","","","","0.804","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058590","18.203","0.004","8.747","0.003","11.179","0.003","90","","98.83","0.03","90","","1758.8","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.0642","0.0467","","","0.1049","0.1145","","","","","","1.038","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058591","17.652","0.005","8.838","0.003","11.184","0.003","90","","95.65","0.03","90","","1736.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.06","0.0367","","","0.0833","0.0871","","","","","","0.913","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058592","19.608","0.003","10.754","0.002","21.654","0.004","90","","105.84","0.03","90","","4392.7","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,8-di-tert-butyl-3-(4-ethynylphenethyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine","","- C51.9 H65.95 I0.05 N2 O2 -","- C51.9 H65.95 I0.05 N2 O2 -","- C207.6 H263.8 I0.2 N8 O8 -","4","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.0786","0.0449","","","0.108","0.1161","","","","","","0.909","","","","has coordinates,has disorder","224899","2020-10-21","18:00:00",""
"7058593","10.63","0.002","9.95","0.002","40.958","0.009","90","","90","","90","","4332.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-bromophenethyl)-6,8-di-tert-butyl-3,4-dihydro-2H-benzo[e][1,3]oxazine","","- C24 H32 Br N O -","- C24 H32 Br N O -","- C192 H256 Br8 N8 O8 -","8","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.0796","0.0329","","","0.0648","0.0702","","","","","","0.837","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058594","5.999","0.002","9.67","0.003","30.784","0.009","81.78","0.03","86.06","0.04","79.82","0.03","1737.9","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H48 N2 O2 -","- C44 H48 N2 O2 -","- C88 H96 N4 O4 -","2","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.2942","0.1372","","","0.3076","0.3697","","","","","","0.998","","","","has coordinates,has disorder","224899","2020-10-21","18:00:00",""
"7058595","4.746","0.002","5.936","0.002","51.31","0.02","90","","90.31","0.03","90","","1445.5","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 N2 O2 -","- C38 H36 N2 O2 -","- C76 H72 N4 O4 -","2","0.5","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","1.54184","CuKα","","0.0808","0.0757","","","0.2083","0.2147","","","","","","1.087","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058596","5.696","0.003","9.055","0.004","50.29","0.02","90","","92.34","0.04","90","","2592","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N O -","- C28 H49 N O -","- C112 H196 N4 O4 -","4","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.1167","0.0596","","","0.0939","0.1164","","","","","","1.01","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058597","11.1601","0.0007","11.5158","0.0006","12.7909","0.0006","90","","110.834","0.002","90","","1536.37","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 S -","- C17 H15 N3 S -","- C68 H60 N12 S4 -","4","1","","Camacho-Espinoza, Martín; Reyes-Deloso, Alberto; Toscano, R. Alfredo; Penieres-Carrillo, J. Guillermo; López-Cortés, José G.; Ortega-Alfaro, M. Carmen; Ortega-Jiménez, Fernando","Thiazole-based non-symmetric NNC‒palladium pincer complexes as catalytic precursors for the Suzuki‒Miyaura C‒C coupling","New Journal of Chemistry","2019","43","33","12967","","10.1039/C9NJ02977J","","","0.71073","MoKα","","0.1023","0.0438","","","0.089","0.109","","","","","","1.01","","","","has coordinates","224755","2020-10-21","18:00:00",""
"7058598","9.04","0.003","11.556","0.003","12.136","0.004","73.582","0.004","70.444","0.005","83.313","0.005","1145.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 Ni S4 -","- C22 H18 N4 Ni S4 -","- C44 H36 N8 Ni2 S8 -","2","1","","Attar, Salahuddin S.; Marchiò, Luciano; Pilia, Luca; Casula, Maria F.; Espa, Davide; Serpe, Angela; Pizzotti, Maddalena; Marinotto, Daniele; Deplano, Paola","Design of nickel donor‒acceptor dithiolenes for 2nd order nonlinear optics: an experimental and computational study","New Journal of Chemistry","2019","43","32","12570","","10.1039/C9NJ02976A","","","0.71073","MoKα","","0.0418","0.0322","","","0.0793","0.0868","","","","","","1.039","","","","has coordinates,has disorder","224742","2020-10-21","18:00:00",""
"7058599","10.3749","0.0003","12.0393","0.0005","13.1825","0.0005","64.188","0.004","89.513","0.003","81.625","0.003","1463.7","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 N3 Ni O5 S4 -","- C27 H31 N3 Ni O5 S4 -","- C54 H62 N6 Ni2 O10 S8 -","2","1","","Attar, Salahuddin S.; Marchiò, Luciano; Pilia, Luca; Casula, Maria F.; Espa, Davide; Serpe, Angela; Pizzotti, Maddalena; Marinotto, Daniele; Deplano, Paola","Design of nickel donor‒acceptor dithiolenes for 2nd order nonlinear optics: an experimental and computational study","New Journal of Chemistry","2019","43","32","12570","","10.1039/C9NJ02976A","","x-ray","0.7","Synchrotron","","0.0328","0.0308","","","0.0788","0.079","","","","","","1.041","","","","has coordinates","224742","2020-10-21","18:00:00",""
"7058600","17.6638","0.0002","8.3159","0.0001","23.1526","0.0002","90","","108.236","0.001","90","","3230.09","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N3 Ni O5 S6 -","- C29 H31 N3 Ni O5 S6 -","- C116 H124 N12 Ni4 O20 S24 -","4","1","","Attar, Salahuddin S.; Marchiò, Luciano; Pilia, Luca; Casula, Maria F.; Espa, Davide; Serpe, Angela; Pizzotti, Maddalena; Marinotto, Daniele; Deplano, Paola","Design of nickel donor‒acceptor dithiolenes for 2nd order nonlinear optics: an experimental and computational study","New Journal of Chemistry","2019","43","32","12570","","10.1039/C9NJ02976A","","x-ray","0.7","synchrotron","","0.0378","0.0347","","","0.1197","0.1238","","","","","","1.093","","","","has coordinates","224742","2020-10-21","18:00:00",""
"7058601","8.6582","0.0004","8.9482","0.0004","9.1287","0.0004","99.8","0.002","94.649","0.002","108.311","0.002","654.76","0.05","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C30 H30 O6 -","1","0.5","","Agrahari, Anand K.; Singh, Anoop S.; Singh, Ashish Kumar; Mishra, Nidhi; Singh, Mala; Prakash, Pradyot; Tiwari, Vinod K.","Click inspired synthesis of hexa and octadecavalent peripheral galactosylated glycodendrimers and their possible therapeutic applications","New Journal of Chemistry","2019","43","31","12475","","10.1039/C9NJ02564B","","","0.71073","MoKα","","0.0612","0.0467","","","0.1123","0.1228","","","","","","1.087","","","","has coordinates","224903","2020-10-21","18:00:00",""
"7058602","8.4333","0.0005","16.6359","0.001","16.7706","0.0011","90","","103.479","0.003","90","","2288","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br N4 O3 V -","- C26 H17 Br N4 O3 V -","- C104 H68 Br4 N16 O12 V4 -","4","1","","Lima, Sudhir; Banerjee, Atanu; Mohanty, Monalisa; Sahu, Gurunath; Kausar, Chahat; Patra, S.K.; Garribba, Eugenio; Kaminsky, Werner; Dinda, Rupam","Synthesis, structure and biological evaluation of mixed ligand oxidovanadium(IV) complexes incorporating 2‒(arylazo) phenolates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01910C","","x-ray","0.71073","MoKα","","0.0377","0.0262","","","0.061","0.0651","","","","","","1.028","","","","has coordinates","216995","2020-10-21","18:00:00",""
"7058603","8.6015","0.0007","10.3718","0.0009","12.5377","0.0011","93.2","0.006","90.428","0.005","104.447","0.005","1081.2","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N4 O4 V -","- C26 H20 N4 O4 V -","- C52 H40 N8 O8 V2 -","2","1","","Lima, Sudhir; Banerjee, Atanu; Mohanty, Monalisa; Sahu, Gurunath; Kausar, Chahat; Patra, S.K.; Garribba, Eugenio; Kaminsky, Werner; Dinda, Rupam","Synthesis, structure and biological evaluation of mixed ligand oxidovanadium(IV) complexes incorporating 2‒(arylazo) phenolates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01910C","","x-ray","0.71073","MoKα","","0.0802","0.0463","","","0.0953","0.1082","","","","","","1.032","","","","has coordinates,has disorder","216995","2020-10-21","18:00:00",""
"7058604","8.148","0.002","9.459","0.003","14.752","0.004","93.473","0.018","93.065","0.018","109.172","0.015","1068.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N4 O3 V -","- C28 H18 N4 O3 V -","- C56 H36 N8 O6 V2 -","2","1","","Lima, Sudhir; Banerjee, Atanu; Mohanty, Monalisa; Sahu, Gurunath; Kausar, Chahat; Patra, S.K.; Garribba, Eugenio; Kaminsky, Werner; Dinda, Rupam","Synthesis, structure and biological evaluation of mixed ligand oxidovanadium(IV) complexes incorporating 2‒(arylazo) phenolates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01910C","","x-ray","0.71073","MoKα","","0.1282","0.0631","","","0.122","0.1464","","","","","","1.002","","","","has coordinates","216995","2020-10-21","18:00:00",""
"7058605","9.8888","0.0009","18.6789","0.0015","24.445","0.002","90","","98.725","0.005","90","","4463","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N4 O3 V -","- C27 H20 N4 O3 V -","- C216 H160 N32 O24 V8 -","8","2","","Lima, Sudhir; Banerjee, Atanu; Mohanty, Monalisa; Sahu, Gurunath; Kausar, Chahat; Patra, S.K.; Garribba, Eugenio; Kaminsky, Werner; Dinda, Rupam","Synthesis, structure and biological evaluation of mixed ligand oxidovanadium(IV) complexes incorporating 2‒(arylazo) phenolates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01910C","","x-ray","0.71073","MoKα","","0.0707","0.0422","","","0.0946","0.1096","","","","","","1.032","","","","has coordinates","216995","2020-10-21","18:00:00",""
"7058606","8.4764","0.0007","16.7531","0.0013","16.4889","0.0014","90","","103.846","0.004","90","","2273.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N5 O5 V -","- C26 H17 N5 O5 V -","- C104 H68 N20 O20 V4 -","4","1","","Lima, Sudhir; Banerjee, Atanu; Mohanty, Monalisa; Sahu, Gurunath; Kausar, Chahat; Patra, S.K.; Garribba, Eugenio; Kaminsky, Werner; Dinda, Rupam","Synthesis, structure and biological evaluation of mixed ligand oxidovanadium(IV) complexes incorporating 2‒(arylazo) phenolates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01910C","","x-ray","0.71073","MoKα","","0.0649","0.0357","","","0.0827","0.0953","","","","","","1.007","","","","has coordinates","216995","2020-10-21","18:00:00",""
"7058607","9.0405","0.0006","28.426","0.002","10.3509","0.0009","90","","105.248","0.003","90","","2566.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cu Eu N5 O15 -","- C19 H20 Cu Eu N5 O15 -","- C76 H80 Cu4 Eu4 N20 O60 -","4","1","","Dolai, Malay; Ali, Mahammad; Rajnák, Cyril; Titiš, Ján; Boča, Roman","Slow magnetic relaxation in Cu(ii)‒Eu(iii) and Cu(ii)‒La(iii) complexes","New Journal of Chemistry","2019","43","32","12698","","10.1039/C9NJ02039J","","","0.71073","MoKα","","0.0847","0.0729","","","0.1725","0.1794","","","","","","1.048","","","","has coordinates","224743","2020-10-21","18:00:00",""
"7058608","9.0598","0.0005","28.571","0.0014","10.3072","0.0005","90","","105.404","0.005","90","","2572.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cu La N5 O15 -","- C19 H20 Cu La N5 O15 -","- C76 H80 Cu4 La4 N20 O60 -","4","1","","Dolai, Malay; Ali, Mahammad; Rajnák, Cyril; Titiš, Ján; Boča, Roman","Slow magnetic relaxation in Cu(ii)‒Eu(iii) and Cu(ii)‒La(iii) complexes","New Journal of Chemistry","2019","43","32","12698","","10.1039/C9NJ02039J","","","0.71073","MoKα","","0.074","0.0645","","","0.1748","0.1831","","","","","","1.019","","","","has coordinates","224743","2020-10-21","18:00:00",""
"7058609","13.1162","0.0018","15.625","0.002","15.7848","0.0019","82.849","0.007","76.275","0.005","88.903","0.007","3117.9","0.7","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H132 N16 O16 Sm4 -","- C136 H132 N16 O16 Sm4 -","- C136 H132 N16 O16 Sm4 -","1","0.5","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.0614","0.0403","","","0.086","0.0964","","","","","","1.053","","","","has coordinates","224762","2020-10-21","18:00:00",""
"7058610","13.111","0.003","15.624","0.004","15.795","0.003","82.872","0.014","76.336","0.01","89.053","0.015","3119.4","1.2","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H132 Gd4 N16 O16 -","- C136 H132 Gd4 N16 O16 -","- C136 H132 Gd4 N16 O16 -","1","0.5","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.0776","0.0511","","","0.1895","0.2249","","","","","","1.028","","","","has coordinates","224762","2020-10-21","18:00:00",""
"7058611","12.898","0.003","15.369","0.003","16.696","0.004","98.99","0.004","93.234","0.002","111.165","0.004","3025.5","1.2","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C132 H126 N14 O16 Tb4 -","- C132 H126 N14 O16 Tb4 -","- C132 H126 N14 O16 Tb4 -","1","0.5","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.0571","0.0381","","","0.0687","0.0788","","","","","","1.046","","","","has coordinates","224762","2020-10-21","18:00:00",""
"7058612","12.89","0.003","15.336","0.003","16.618","0.003","99.075","0.002","93.174","0.004","111.225","0.004","3001.2","1.1","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C132 H126 Er4 N14 O16 -","- C132 H126 Er4 N14 O16 -","- C132 H126 Er4 N14 O16 -","1","0.5","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.0335","0.0266","","","0.0669","0.0692","","","","","","1.012","","","","has coordinates","224762","2020-10-21","18:00:00",""
"7058613","17.7355","0.0018","19.8419","0.0016","20.6173","0.0018","67.85","0.012","71.409","0.011","64.294","0.009","5949.1","1.1","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C132 H129 Ho4 N13 O17 -","- C132 H129 Ho4 N13 O17 -","- C264 H258 Ho8 N26 O34 -","2","1","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.0701","0.0426","","","0.0931","0.1095","","","","","","1.063","","","","has coordinates,has disorder","224762","2020-10-21","18:00:00",""
"7058614","12.8862","0.0012","15.3369","0.0014","16.6808","0.0013","98.958","0.001","93.15","0.002","111.247","0.002","3012.8","0.5","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C132 H126 Dy4 N14 O16 -","- C132 H126 Dy4 N14 O16 -","- C132 H126 Dy4 N14 O16 -","1","0.5","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.03","0.0265","","","0.0724","0.0739","","","","","","1.068","","","","has coordinates","224762","2020-10-21","18:00:00",""
"7058615","13.1195","0.0015","15.6666","0.0019","15.7695","0.0016","82.897","0.006","76.208","0.005","88.888","0.006","3123.4","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H132 Eu4 N16 O16 -","- C136 H132 Eu4 N16 O16 -","- C136 H132 Eu4 N16 O16 -","1","0.5","","Wang, Wen-Min; Zhang, Li; Li, Xian-Zhen; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wang, Jie; Dong, Jie; Wu, Zhi-Lei","Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior","New Journal of Chemistry","2019","43","33","12941","","10.1039/C9NJ02872B","","","0.71073","MoKα","","0.0386","0.0347","","","0.0928","0.0957","","","","","","1.043","","","","has coordinates","224762","2020-10-21","18:00:00",""
"7058616","7.067","0.003","11.938","0.005","9.694","0.004","90","","90","","90","","817.8","0.6","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","Rb2Ga2P2S9","","","- Ga2 P2 Rb2 S9 -","- Ga2 P2 Rb2 S9 -","- Ga4 P4 Rb4 S18 -","2","0.5","","Hu, Qichang; Ruan, Kaibin; Wang, Yuzhu; Ding, Kai; Xu, Yong","Synthesis and nonlinear optical properties of new gallium thiophosphate Rb2Ga2P2S9","New Journal of Chemistry","2019","43","31","12468","","10.1039/C9NJ02365H","","","0.71073","MoKα","","0.0353","0.0232","","","0.0282","0.0298","","","","","","0.996","","","","has coordinates","224904","2020-10-21","18:00:00",""
"7058617","7.7796","0.0003","15.2532","0.0006","17.351","0.0007","90","","93.908","0.004","90","","2054.15","0.14","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl4 Fe2 N3 O -","- C17 H15 Cl4 Fe2 N3 O -","- C68 H60 Cl16 Fe8 N12 O4 -","4","1","","Bocian, Aleksandra; Napierała, Sergiusz; Gorczyński, Adam; Kubicki, Maciej; Wałęsa-Chorab, Monika; Patroniak, Violetta","The first example of an asymmetrical μ-oxo bridged dinuclear iron complex with a terpyridine ligand","New Journal of Chemistry","2019","43","32","12650","","10.1039/C9NJ02413A","","","1.54178","CuKα","","0.0491","0.04","","","0.1066","0.1147","","","","","","1.026","","","","has coordinates","224737","2020-10-21","18:00:00",""
"7058618","8.31307","0.00009","31.0196","0.0003","9.76421","0.0001","90","","96.5938","0.001","90","","2501.22","0.04","130","1","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Cl12 Fe4 N6 -","- C41 H38 Cl12 Fe4 N6 -","- C82 H76 Cl24 Fe8 N12 -","2","0.5","","Bocian, Aleksandra; Napierała, Sergiusz; Gorczyński, Adam; Kubicki, Maciej; Wałęsa-Chorab, Monika; Patroniak, Violetta","The first example of an asymmetrical μ-oxo bridged dinuclear iron complex with a terpyridine ligand","New Journal of Chemistry","2019","43","32","12650","","10.1039/C9NJ02413A","","x-ray","1.54184","CuKα","","0.0947","0.0854","","","0.2105","0.2202","","","","","","1.021","","","","has coordinates,has disorder","224737","2020-10-21","18:00:00",""
"7058619","12.0703","0.0009","5.8282","0.0004","20.5755","0.0014","90","","100.792","0.002","90","","1421.85","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","enamino ketone trifluoromethyl","(Z)-4-((4-aminophenyl)amino)-1,1,1-trifluoro-4-phenylbut-3-en-2-one","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Kappenberg, Yuri G.; Ketzer, Alex; Stefanello, Felipe S.; Salbego, Paulo R. S.; Acunha, Thiago V.; Abbadi, Bruno L.; Bizarro, Cristiano V.; Basso, Luiz A.; Machado, Pablo; Martins, Marcos A. P.; Zanatta, Nilo; Iglesias, Bernardo A.; Bonacorso, Helio G.","Synthesis and photophysical, thermal and antimycobacterial properties of novel 6-amino-2-alkyl(aryl/heteroaryl)-4-(trifluoromethyl) quinolines","New Journal of Chemistry","2019","43","31","12375","","10.1039/C9NJ01681C","","","0.71073","MoKα","","0.083","0.0585","","","0.1377","0.1505","","","","","","1.056","","","","has coordinates","224905","2020-10-21","18:00:00",""
"7058620","14.122","0.003","4.6032","0.001","21.574","0.005","90","","106.541","0.011","90","","1344.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","amino quinoline","2-(4-fluorophenyl)-4-(trifluoromethyl)quinolin-6-amine","","- C16 H10 F4 N2 -","- C16 H10 F4 N2 -","- C64 H40 F16 N8 -","4","1","","Kappenberg, Yuri G.; Ketzer, Alex; Stefanello, Felipe S.; Salbego, Paulo R. S.; Acunha, Thiago V.; Abbadi, Bruno L.; Bizarro, Cristiano V.; Basso, Luiz A.; Machado, Pablo; Martins, Marcos A. P.; Zanatta, Nilo; Iglesias, Bernardo A.; Bonacorso, Helio G.","Synthesis and photophysical, thermal and antimycobacterial properties of novel 6-amino-2-alkyl(aryl/heteroaryl)-4-(trifluoromethyl) quinolines","New Journal of Chemistry","2019","43","31","12375","","10.1039/C9NJ01681C","","","1.54178","CuKα","","0.0485","0.0359","","","0.0931","0.1026","","","","","","1.019","","","","has coordinates","224905","2020-10-21","18:00:00",""
"7058621","10.3451","0.0014","10.5215","0.0014","14.8306","0.0019","90","","90","","90","","1614.3","0.4","373","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Sonsona, Isaac G.; Marqués-López, Eugenia; Gimeno, M. Concepción; Herrera, Raquel P.","First aromatic amine organocatalysed activation of α,β-unsaturated ketones","New Journal of Chemistry","2019","43","31","12233","","10.1039/C9NJ02392E","","","0.71073","MoKα","","0.0285","0.0237","","","0.0509","0.0522","","","","","","1.047","","","","has coordinates","224907","2020-10-21","18:00:00",""
"7058622","20.5946","0.0018","17.0697","0.0018","19.444","0.002","90","","92.231","0.002","90","","6830.2","1.2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B36 H68 K8 O145 V24 -","- B36 K8 O145 V24 -","- B72 K16 O290 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Scarpetta-Pizo, Laura; Cañón-Mancisidor, Walter; Gutierrez-Cutiño, Marlen; Le Fur, Eric; Paredes-Garcia, Veronica; Venegas-Yazigi, Diego","The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]. From an experimental and theoretical understanding.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02549A","","","0.71073","MoKα","","0.0928","0.0897","","","0.2473","0.2497","","","","","","1.163","","","","has coordinates","217137","2020-10-21","18:00:00",""
"7058623","22.469","0.002","18.076","0.002","16.8452","0.0017","90","","98.239","0.002","90","","6771.1","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B36 K18 O159 V24 -","- B36 K18 O159 V24 -","- B72 K36 O318 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Scarpetta-Pizo, Laura; Cañón-Mancisidor, Walter; Gutierrez-Cutiño, Marlen; Le Fur, Eric; Paredes-Garcia, Veronica; Venegas-Yazigi, Diego","The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]. From an experimental and theoretical understanding.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02549A","","","0.71073","MoKα","","0.0768","0.0573","","","0.1331","0.1405","","","","","","1.134","","","","has coordinates","217137","2020-10-21","18:00:00",""
"7058624","10.4998","0.0005","13.2979","0.0007","13.2281","0.0007","90","","107.021","0.002","90","","1766.08","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Al Cl5 O Te -","- C13 H10 Al Cl5 O Te -","- C52 H40 Al4 Cl20 O4 Te4 -","4","1","","Mostaghimi, Farzin; Lork, Enno; Hong, Intek; Roemmele, Tracey L.; Boeré, René T.; Mebs, Stefan; Beckmann, Jens","The reaction of phenoxatellurine with single-electron oxidizers revisited","New Journal of Chemistry","2019","43","32","12754","","10.1039/C9NJ02401H","","","0.71073","MoKα","","0.0273","0.0214","","","0.0495","0.0519","","","","","","1.044","","","","has coordinates","224738","2020-10-21","18:00:00",""
"7058625","5.9407","0.0002","8.0196","0.0003","20.6459","0.0006","90","","90","","90","","983.61","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 O Te -","- C12 H8 O Te -","- C48 H32 O4 Te4 -","4","1","","Mostaghimi, Farzin; Lork, Enno; Hong, Intek; Roemmele, Tracey L.; Boeré, René T.; Mebs, Stefan; Beckmann, Jens","The reaction of phenoxatellurine with single-electron oxidizers revisited","New Journal of Chemistry","2019","43","32","12754","","10.1039/C9NJ02401H","","","0.71073","MoKα","","0.0303","0.0258","","","0.048","0.0491","","","","","","1.029","","","","has coordinates","224738","2020-10-21","18:00:00",""
"7058626","27.07","0.002","13.2471","0.0012","7.4254","0.0007","90","","94.945","0.003","90","","2652.8","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cl4 N O2 Te2 -","- C26 H19 Cl4 N O2 Te2 -","- C104 H76 Cl16 N4 O8 Te8 -","4","0.5","","Mostaghimi, Farzin; Lork, Enno; Hong, Intek; Roemmele, Tracey L.; Boeré, René T.; Mebs, Stefan; Beckmann, Jens","The reaction of phenoxatellurine with single-electron oxidizers revisited","New Journal of Chemistry","2019","43","32","12754","","10.1039/C9NJ02401H","","","0.71073","MoKα","","0.0409","0.0329","","","0.0799","0.0871","","","","","","1.143","","","","has coordinates","224738","2020-10-21","18:00:00",""
"7058627","7.8579","0.0004","13.2378","0.0007","36.4138","0.0018","87.47","0.002","89.732","0.002","84.874","0.002","3769","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H53 F24 N7 O4 Sb4 Te4 -","- C62 H53 F24 N7 O4 Sb4 Te4 -","- C124 H106 F48 N14 O8 Sb8 Te8 -","2","1","","Mostaghimi, Farzin; Lork, Enno; Hong, Intek; Roemmele, Tracey L.; Boeré, René T.; Mebs, Stefan; Beckmann, Jens","The reaction of phenoxatellurine with single-electron oxidizers revisited","New Journal of Chemistry","2019","43","32","12754","","10.1039/C9NJ02401H","","","0.71073","MoKα","","0.0743","0.055","","","0.1139","0.121","","","","","","1.098","","","","has coordinates","224738","2020-10-21","18:00:00",""
"7058628","11.2438","0.0006","13.7621","0.0008","14.1152","0.0007","92.195","0.003","104.598","0.003","101.316","0.003","2063.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 B2 F8 N3 O3 Te3 -","- C42 H33 B2 F8 N3 O3 Te3 -","- C84 H66 B4 F16 N6 O6 Te6 -","2","1","","Mostaghimi, Farzin; Lork, Enno; Hong, Intek; Roemmele, Tracey L.; Boeré, René T.; Mebs, Stefan; Beckmann, Jens","The reaction of phenoxatellurine with single-electron oxidizers revisited","New Journal of Chemistry","2019","43","32","12754","","10.1039/C9NJ02401H","","","0.71073","MoKα","","0.1017","0.0644","","","0.1027","0.1102","","","","","","1.285","","","","has coordinates","224738","2020-10-21","18:00:00",""
"7058629","10.932","0.0002","11.7094","0.0003","15.8407","0.0003","90","","91.4294","0.0017","90","","2027.09","0.07","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 N O12 Zn -","- C17 H26 N O12 Zn -","- C68 H104 N4 O48 Zn4 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Effect of counter cations on the photochromic behaviors of three Zn‒viologen complexes","New Journal of Chemistry","2019","43","32","12678","","10.1039/C9NJ03022K","","x-ray","1.54184","CuKα","","0.046","0.042","","","0.1143","0.1174","","","","","","1.071","","","","has coordinates","224744","2020-10-21","18:00:00",""
"7058630","10.4847","0.0003","11.7732","0.0003","15.8026","0.0004","90","","92.078","0.002","90","","1949.37","0.09","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N O12 Zn -","- C16 H24 N O12 Zn -","- C64 H96 N4 O48 Zn4 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Effect of counter cations on the photochromic behaviors of three Zn‒viologen complexes","New Journal of Chemistry","2019","43","32","12678","","10.1039/C9NJ03022K","","x-ray","1.54184","CuKα","","0.0543","0.0429","","","0.1169","0.1272","","","","","","1.016","","","","has coordinates","224744","2020-10-21","18:00:00",""
"7058631","10.589","0.0003","11.8282","0.0003","15.8135","0.0004","90","","91.837","0.002","90","","1979.6","0.09","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N O13 Zn -","- C15 H24 N O13 Zn -","- C60 H96 N4 O52 Zn4 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Effect of counter cations on the photochromic behaviors of three Zn‒viologen complexes","New Journal of Chemistry","2019","43","32","12678","","10.1039/C9NJ03022K","","x-ray","1.54184","CuKα","","0.0592","0.051","","","0.1461","0.1556","","","","","","1.035","","","","has coordinates","224744","2020-10-21","18:00:00",""
"7058632","9.3982","0.00017","29.1571","0.0004","10.11713","0.00016","90","","114.042","0.002","90","","2531.83","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N4 Te -","- C24 H38 N4 Te -","- C96 H152 N16 Te4 -","4","1","","Gupta, Anand K.; Deka, Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Reactivity of bis[{2,6-(dimethylamino)methyl}phenyl]telluride with Pd(ii) and Hg(ii): isolation of the first Pd(ii) complex of an organotellurenium cation as a ligand","New Journal of Chemistry","2019","43","33","13225","","10.1039/C9NJ02469G","","","1.54184","CuKα","","0.0346","0.0294","","","0.0706","0.0748","","","","","","1.047","","","","has coordinates,has disorder","224761","2020-10-21","18:00:00",""
"7058633","8.806","0.0018","13.281","0.003","14.315","0.003","90","","90.64","0.03","90","","1674.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl3 N2 Pd Te -","- C12 H19 Cl3 N2 Pd Te -","- C48 H76 Cl12 N8 Pd4 Te4 -","4","1","","Gupta, Anand K.; Deka, Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Reactivity of bis[{2,6-(dimethylamino)methyl}phenyl]telluride with Pd(ii) and Hg(ii): isolation of the first Pd(ii) complex of an organotellurenium cation as a ligand","New Journal of Chemistry","2019","43","33","13225","","10.1039/C9NJ02469G","","","0.71073","MoKα","","0.0211","0.0174","","","0.0401","0.0409","","","","","","1.012","","","","has coordinates","224761","2020-10-21","18:00:00",""
"7058634","9.3657","0.0002","18.9012","0.0003","16.6559","0.0003","90","","103.849","0.002","90","","2862.76","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H78 Cl6 N8 Pd2 Te2 -","- C49 H78 Cl6 N8 Pd2 Te2 -","- C98 H156 Cl12 N16 Pd4 Te4 -","2","0.5","","Gupta, Anand K.; Deka, Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Reactivity of bis[{2,6-(dimethylamino)methyl}phenyl]telluride with Pd(ii) and Hg(ii): isolation of the first Pd(ii) complex of an organotellurenium cation as a ligand","New Journal of Chemistry","2019","43","33","13225","","10.1039/C9NJ02469G","","","0.71073","MoKα","","0.0231","0.0202","","","0.0454","0.0465","","","","","","1.034","","","","has coordinates,has disorder","224761","2020-10-21","18:00:00",""
"7058635","15.052","0.004","12.069","0.003","18.453","0.004","90","","106.982","0.003","90","","3206.1","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cl4 Hg N4 Te2 -","- C24 H38 Cl4 Hg N4 Te2 -","- C96 H152 Cl16 Hg4 N16 Te8 -","4","0.5","","Gupta, Anand K.; Deka, Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Reactivity of bis[{2,6-(dimethylamino)methyl}phenyl]telluride with Pd(ii) and Hg(ii): isolation of the first Pd(ii) complex of an organotellurenium cation as a ligand","New Journal of Chemistry","2019","43","33","13225","","10.1039/C9NJ02469G","","","0.71073","MoKα","","0.047","0.0349","","","0.0709","0.0811","","","","","","0.919","","","","has coordinates","224761","2020-10-21","18:00:00",""
"7058636","7.594","0.0004","7.8777","0.0005","9.2102","0.0005","98.868","0.002","101.319","0.002","114.712","0.002","473.22","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Co N8 O12 -","- C12 H22 Co N8 O12 -","- C12 H22 Co N8 O12 -","1","0.5","","Parveen, Sheikdawood; Premkumar, Thathan; Nguyen, Hung Huy; Govindarajan, Subbiah","Facile template synthesis of water-soluble triazine-based Schiff base ligand bridged-coordination polymers of Co(ii), Ni(ii), and Cu(ii): structure, biomolecular interactions, and cytotoxic activity","New Journal of Chemistry","2019","43","34","13371","","10.1039/C9NJ02377A","","","0.71076","MoKα","","0.0288","0.0278","","","0.082","0.0827","","","","","","1.145","","","","has coordinates","224960","2020-10-21","18:00:00",""
"7058637","17.7618","0.0011","8.5269","0.0003","14.2656","0.0009","90","","112.281","0.002","90","","1999.25","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Br N2 -","- C21 H27 Br N2 -","- C84 H108 Br4 N8 -","4","1","","L’Her, Matthieu; Atoini, Youssef; Fouchet, Julien; Heinrich, Benoît; Del-Giudice, Nicolas; Scrafton, Emma; Bordes, Emilie; Karmazin, Lydia; Charbonière, Loïc; De Cola, Luisa; Douce, Laurent","Luminescent imidazolium‒naphthalene salts in liquid and solid states","New Journal of Chemistry","2019","43","32","12529","","10.1039/C9NJ02972A","","","0.71073","MoKα","","0.1539","0.0824","","","0.1396","0.1675","","","","","","1.186","","","","has coordinates","224740","2020-10-21","18:00:00",""
"7058638","5.9908","0.0003","11.7936","0.0007","38.853","0.002","90","","90","","90","","2745.1","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 N O9 V -","- C29 H32 N O9 V -","- C116 H128 N4 O36 V4 -","4","1","","Mohammadnezhad, Gholamhossein; Akintola, Oluseun; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Probing chirality of oxidovanadium(V) centers in complexes with tridentate sugar Schiff-base ligands: solid-state and solution behavior","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02881A","","","0.71073","MoKα","","0.1038","0.0775","","","0.1372","0.1501","","","","","","1.26","","","","has coordinates","217227","2020-10-21","18:00:00",""
"7058639","10.18","0.0004","35.4503","0.0015","13.158","0.0005","90","","90.008","0.002","90","","4748.5","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N2 O11 V -","- C29 H31 N2 O11 V -","- C174 H186 N12 O66 V6 -","6","3","","Mohammadnezhad, Gholamhossein; Akintola, Oluseun; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Probing chirality of oxidovanadium(V) centers in complexes with tridentate sugar Schiff-base ligands: solid-state and solution behavior","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02881A","","","0.71069","MoKα","","0.0746","0.0591","","","0.1241","0.1361","","","","","","1.1","","","","has coordinates","217227","2020-10-21","18:00:00",""
"7058640","16.2895","0.0004","6.6468","0.0002","14.8855","0.0004","90","","103.049","0.001","90","","1570.08","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O5 -","- C20 H15 N O5 -","- C80 H60 N4 O20 -","4","1","","Murugesh, Nithya; Haribabu, Jebiti; Arumugam, Krishnamoorthy; Balachandran, Chandrasekar; Swaathy, Rajagopal; Aoki, Shin; Sreekanth, Anandaram; Karvembu, Ramasamy; Vedachalam, Seenuvasan","NHC-catalyzed green synthesis of functionalized chromones: DFT mechanistic insights and in vitro activities in cancer cells","New Journal of Chemistry","2019","43","34","13509","","10.1039/C9NJ02650A","","","0.71073","MoKα","","0.062","0.0461","","","0.1159","0.1268","","","","","","1.066","","","","has coordinates","224965","2020-10-21","18:00:00",""
"7058641","7.5621","0.0005","19.4912","0.0015","16.1178","0.0012","90","","98.666","0.003","90","","2348.6","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C108 H104 N8 O8 S4 -","4","1","","Padmavathy, Krishnaraj; Krishnan, Kannan Gokula; Kumar, Chandran Udhaya; Sathiyaraj, Ethiraj; Sivaramakarthikeyan, Ramar; Lim, Wei-Meng; Mai, Chun-Wai; Ramalingan, Chennan","Novel acrylamide/acrylonitrile-tethered carbazoles: synthesis, structural, biological, and density functional theory studies","New Journal of Chemistry","2019","43","34","13418","","10.1039/C9NJ02170A","","x-ray","0.71073","MoKα","","0.146","0.0567","","","0.1373","0.2044","","","","","","1.1596","","","","has coordinates","224964","2020-10-21","18:00:00",""
"7058642","14.4163","0.0003","24.0448","0.0005","13.6611","0.0003","90","","116.857","0.001","90","","4224.66","0.16","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H130 Mn6 N6 O38 V8 -","- C52 H130 Mn6 N6 O38 V8 -","- C104 H260 Mn12 N12 O76 V16 -","2","0.5","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0518","0.0353","","","0.0744","0.0804","","","","","","0.99","","","","has coordinates","217230","2020-10-21","18:00:00",""
"7058643","14.8347","0.0004","14.935","0.0004","26.9416","0.0006","84.877","0.001","88.812","0.001","65.696","0.001","5417.5","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H149 Mn6 N11 O47 V8 -","- C69 H149 Mn6 N11 O47 V8 -","- C138 H298 Mn12 N22 O94 V16 -","2","1","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0706","0.0501","","","0.1282","0.1408","","","","","","1.031","","","","has coordinates","217230","2020-10-21","18:00:00",""
"7058644","15.1262","0.0004","16.2033","0.0004","24.7209","0.0006","90","","99.968","0.001","90","","5967.5","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H154 Mn6 N14 O52 V8 -","- C70 H154 Mn6 N14 O52 V8 -","- C140 H308 Mn12 N28 O104 V16 -","2","0.5","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0855","0.0693","","","0.2037","0.2197","","","","","","1.029","","","","has coordinates,has disorder","217230","2020-10-21","18:00:00",""
"7058645","15.2732","0.0007","16.3157","0.0007","24.4982","0.0011","90","","97.457","0.002","90","","6053.1","0.5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H154 Cl2 Mn6 N16 O56 V8 -","- C72 H154 Cl2 Mn6 N16 O56 V8 -","- C144 H308 Cl4 Mn12 N32 O112 V16 -","2","0.5","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0844","0.0712","","","0.1905","0.2019","","","","","","1.041","","","","has coordinates,has disorder","217230","2020-10-21","18:00:00",""
"7058646","15.2949","0.0004","16.3939","0.0004","24.2876","0.0006","90","","96.333","0.001","90","","6052.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H73 Mn3 N7 O26 V4 -","- C34 H73 Mn3 N7 O26 V4 -","- C136 H292 Mn12 N28 O104 V16 -","4","1","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0799","0.062","","","0.1773","0.1912","","","","","","1.064","","","","has coordinates,has disorder","217230","2020-10-21","18:00:00",""
"7058647","13.2975","0.0004","19.0223","0.0005","20.3933","0.0006","81.741","0.001","72.921","0.001","73.956","0.001","4727.9","0.2","90","2","90","2","","","","","","","","6","P 1","P 1","1","","","","- C57.5 H118.5 Mn6 N6.5 O39 V8 -","- C57.5 H118.5 Mn6 N6.5 O39 V8 -","- C115 H237 Mn12 N13 O78 V16 -","2","2","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.0808","0.0699","","","0.1878","0.2015","","","","","","1.052","","","","has coordinates,has disorder","217230","2020-10-21","18:00:00",""
"7058648","14.2609","0.0003","24.8229","0.0005","13.5776","0.0003","90","","117.499","0.001","90","","4263.39","0.16","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H114 Mn6 N5 O36 V8 -","- C55.9986 H113.999 Mn6 N5 O36 V8 -","- C111.997 H227.997 Mn12 N10 O72 V16 -","2","0.5","","Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02437A","","","1.54178","CuKα","","0.075","0.049","","","0.1138","0.1261","","","","","","1.033","","","","has coordinates,has disorder","217230","2020-10-21","18:00:00",""
"7058649","22.9717","0.001","20.3377","0.0009","21.9312","0.0009","90","","93.588","0.001","90","","10226","0.8","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O4 P2 Si W -","- C18 H26 N4 O4 P2 Si W -","- C288 H416 N64 O64 P32 Si16 W16 -","16","4","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0328","0.0233","","","0.0505","0.0544","","","","","","1.07","","","","has coordinates,has disorder","224971","2020-10-21","18:00:00",""
"7058650","8.8157","0.0003","9.8348","0.0004","25.7942","0.001","90","","98.13","0.002","90","","2213.9","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cr N4 O4 P2 Si -","- C16 H22 Cr N4 O4 P2 Si -","- C64 H88 Cr4 N16 O16 P8 Si4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0488","0.0358","","","0.0721","0.0761","","","","","","1.06","","","","has coordinates","224971","2020-10-21","18:00:00",""
"7058651","21.49","0.0003","9.8539","0.0003","17.649","0.0004","90","","121.11","0.009","90","","3199.8","0.3","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N2 P -","- C6 H11 N2 P -","- C96 H176 N32 P16 -","16","2","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0827","0.0561","","","0.1272","0.1493","","","","","","1.125","","","","has coordinates,has disorder","224971","2020-10-21","18:00:00",""
"7058652","15.1","0.003","18.049","0.004","15.439","0.003","90","","109.088","0.006","90","","3976.4","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 N8 Ni P4 Si2 -","- C28 H52 N8 Ni P4 Si2 -","- C112 H208 N32 Ni4 P16 Si8 -","4","1","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0721","0.0425","","","0.0826","0.0934","","","","","","1.023","","","","has coordinates,has disorder","224971","2020-10-21","18:00:00",""
"7058653","9.9431","0.0012","9.3567","0.001","21.837","0.002","90","","97.989","0.004","90","","2011.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Br2 Co N4 P2 Si -","- C12 H22 Br2 Co N4 P2 Si -","- C48 H88 Br8 Co4 N16 P8 Si4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.1166","0.0842","","","0.1765","0.1885","","","","","","1.194","","","","has coordinates","224971","2020-10-21","18:00:00",""
"7058654","8.886","0.0006","9.9302","0.0009","26.122","0.002","90","","98.153","0.003","90","","2281.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Mo N4 O4 P2 Si -","- C16 H22 Mo N4 O4 P2 Si -","- C64 H88 Mo4 N16 O16 P8 Si4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0384","0.029","","","0.0679","0.0711","","","","","","1.172","","","","has coordinates","224971","2020-10-21","18:00:00",""
"7058655","8.8502","0.0012","9.8645","0.0017","26.01","0.005","90","","98.21","0.005","90","","2247.5","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N4 O4 P2 Si W -","- C16 H22 N4 O4 P2 Si W -","- C64 H88 N16 O16 P8 Si4 W4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0757","0.0466","","","0.0913","0.1009","","","","","","1.016","","","","has coordinates","224971","2020-10-21","18:00:00",""
"7058656","29.007","0.0014","8.7064","0.0003","14.4253","0.0006","90","","107.572","0.002","90","","3473.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Br2 N4 Ni P2 -","- C10 H18 Br2 N4 Ni P2 -","- C80 H144 Br16 N32 Ni8 P16 -","8","1","","Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan","Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole","New Journal of Chemistry","2019","43","34","13388","","10.1039/C9NJ03146D","","","0.71073","MoKα","","0.0467","0.0345","","","0.0769","0.0823","","","","","","1.047","","","","has coordinates","224971","2020-10-21","18:00:00",""
"7058657","12.807","0.003","12.807","0.003","25.664","0.005","90","0.006","90","0.008","90","","4209.4","1.6","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C62 H84 N22 O31 Zn5 -","- C62 H84 N22 O31 Zn5 -","- C124 H168 N44 O62 Zn10 -","2","0.25","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Bhattacharyya, Arghyadeep; Zangrando, Ennio; Escudero, Daniel; Das, Debasis","A macrocyclic tetranuclear ZnII complex as a receptor for selective dual fluorescence sensing of F− and AcO−: effect of a macrocyclic ligand","New Journal of Chemistry","2019","43","33","13152","","10.1039/C9NJ03481A","","","0.71073","MoKα","","0.1936","0.0633","","","0.1423","0.1979","","","","","","0.94","","","","has coordinates","224756","2020-10-21","18:00:00",""
"7058658","19.225","0.002","22.57","0.003","27.113","0.003","109.518","0.003","101.629","0.003","97.8","0.003","10595","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","biscopper(I) 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis-[(6-methyl-2,2'-bipyridyl-6-\ yl)methoxy]calix[4]arene, tetra(hexafluorophosphate)","","- C184 H192 Cu4 F24 N16 O8 P4 -","- C184 H186 Cu4 F24 N16 O8 P4 -","- C368 H372 Cu8 F48 N32 O16 P8 -","2","1","","Regnouf-de-Vains, J.-B.; Malaman, B.; Bouguet-Bonnet, S.; Poinsignon, Sophie; Leclerc, Sébastien; Beley, M.","Single-crystal X-ray diffraction study, NMR and electrochemical analysis of a copper(i) 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-[(6-methyl-2,2′-bipyridyl-6-yl)methoxy]calix[4]arene complex: an original M4L2 “hand-to-hand” system","New Journal of Chemistry","2019","43","33","13282","","10.1039/C9NJ01152H","","","0.71073","MoKα","","0.209","0.1492","","","0.3788","0.4061","","","","","","2.502","","","","has coordinates","224757","2020-10-21","18:00:00",""
"7058659","17.9211","0.0005","14.6131","0.0004","16.2764","0.0004","90","","95.08","0.001","90","","4245.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 I3 P -","- C19 H18 I3 P -","- C152 H144 I24 P8 -","8","2","","Kobra, Khadijatul; Li, Yuxuan; Sachdeva, Rakesh; McMillen, Colin D.; Pennington, William T.","New polymorphism and structural sensitivity in triphenylmethylphosphonium trihalide salts","New Journal of Chemistry","2019","43","32","12702","","10.1039/C9NJ01846H","","","0.71073","MoKα","","0.0391","0.0298","","","0.0854","0.0988","","","","","","1.141","","","","has coordinates","224741","2020-10-21","18:00:00",""
"7058660","14.412","0.0007","16.5445","0.0009","17.5295","0.0009","92.457","0.002","91.538","0.002","90.46","0.002","4174.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Br0.83 I2.17 P -","- C19 H18 Br0.82825 I2.17175 P -","- C152 H144 Br6.626 I17.374 P8 -","8","4","","Kobra, Khadijatul; Li, Yuxuan; Sachdeva, Rakesh; McMillen, Colin D.; Pennington, William T.","New polymorphism and structural sensitivity in triphenylmethylphosphonium trihalide salts","New Journal of Chemistry","2019","43","32","12702","","10.1039/C9NJ01846H","","","0.71073","MoKα","","0.0593","0.0362","","","0.0706","0.0825","","","","","","1.016","","","","has coordinates","224741","2020-10-21","18:00:00",""
"7058661","10.6889","0.0007","15.2647","0.0011","12.2973","0.0008","90","","101.394","0.002","90","","1966.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br3 P -","- C19 H18 Br3 P -","- C76 H72 Br12 P4 -","4","1","","Kobra, Khadijatul; Li, Yuxuan; Sachdeva, Rakesh; McMillen, Colin D.; Pennington, William T.","New polymorphism and structural sensitivity in triphenylmethylphosphonium trihalide salts","New Journal of Chemistry","2019","43","32","12702","","10.1039/C9NJ01846H","","","0.71073","MoKα","","0.053","0.0359","","","0.0649","0.071","","","","","","1.053","","","","has coordinates","224741","2020-10-21","18:00:00",""
"7058662","8.6136","0.0009","15.0989","0.0014","15.6608","0.0017","90","","96.018","0.004","90","","2025.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br1.78 I1.22 P -","- C19 H18 Br1.784 I1.216 P -","- C76 H72 Br7.136 I4.864 P4 -","4","1","","Kobra, Khadijatul; Li, Yuxuan; Sachdeva, Rakesh; McMillen, Colin D.; Pennington, William T.","New polymorphism and structural sensitivity in triphenylmethylphosphonium trihalide salts","New Journal of Chemistry","2019","43","32","12702","","10.1039/C9NJ01846H","","","0.71073","MoKα","","0.0216","0.0182","","","0.0403","0.0414","","","","","","1.088","","","","has coordinates","224741","2020-10-21","18:00:00",""
"7058663","10.8305","0.0008","15.5357","0.0012","12.3762","0.0009","90","","101.654","0.002","90","","2039.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br2.14 I0.86 P -","- C19 H18 Br2.136 I0.864 P -","- C76 H72 Br8.544 I3.456 P4 -","4","1","","Kobra, Khadijatul; Li, Yuxuan; Sachdeva, Rakesh; McMillen, Colin D.; Pennington, William T.","New polymorphism and structural sensitivity in triphenylmethylphosphonium trihalide salts","New Journal of Chemistry","2019","43","32","12702","","10.1039/C9NJ01846H","","","0.71073","MoKα","","0.041","0.0288","","","0.0586","0.0638","","","","","","1.033","","","","has coordinates","224741","2020-10-21","18:00:00",""
"7058664","14.4159","0.0003","14.4159","0.0003","26.7513","0.0012","90","","90","","120","","4814.6","0.3","298","2","298","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C61.5 H55 Cl3 Cu2 I2 P4 S2 -","- C61.5 H55 Cl3 Cu2 I2 P4 S2 -","- C184.5 H165 Cl9 Cu6 I6 P12 S6 -","3","0.5","","Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei","Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands","New Journal of Chemistry","2019","43","34","13408","","10.1039/C9NJ01417A","","","0.71073","MoKα","","0.0448","0.0309","","","0.0701","0.0761","","","","","","1.048","","","","has coordinates","224973","2020-10-21","18:00:00",""
"7058665","22.7717","0.0016","23.2726","0.0015","22.1771","0.0014","90","","90","","90","","11752.9","1.3","299","2","299","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C123 H110 Cl4 Cu4 O P8 S4 -","- C123 H110 Cl4 Cu4 O P8 S4 -","- C492 H440 Cl16 Cu16 O4 P32 S16 -","4","0.5","","Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei","Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands","New Journal of Chemistry","2019","43","34","13408","","10.1039/C9NJ01417A","","","0.71073","MoKα","","0.0752","0.0481","","","0.1177","0.1314","","","","","","1.111","","","","has coordinates","224973","2020-10-21","18:00:00",""
"7058666","22.3505","0.0012","34.2762","0.0018","45.692","0.003","90","","90","","90","","35004","3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C183 H161 Br6 Cl2 Cu6 N P12 S6 -","- C183 H161 Br6 Cl2 Cu6 N P12 S6 -","- C1464 H1288 Br48 Cl16 Cu48 N8 P96 S48 -","8","1","","Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei","Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands","New Journal of Chemistry","2019","43","34","13408","","10.1039/C9NJ01417A","","","0.71073","MoKα","","0.1258","0.0663","","","0.1299","0.1573","","","","","","1.12","","","","has coordinates","224973","2020-10-21","18:00:00",""
"7058667","17.373","0.003","5.5303","0.0011","40.002","0.008","90","","95.254","0.004","90","","3827.2","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N2 O9 S -","- C36 H64 N2 O9 S -","- C144 H256 N8 O36 S4 -","4","1","","Nuthanakanti, Ashok","Cytidine and ribothymidine nucleolipids synthesis, organogelation, and selective anion and metal ion responsiveness","New Journal of Chemistry","2019","43","34","13447","","10.1039/C9NJ03276B","","","0.71073","MoKα","","0.0718","0.0599","","","0.1545","0.1625","","","","","","1.043","","","","has coordinates","224970","2020-10-21","18:00:00",""
"7058668","21.4881","0.0014","5.3392","0.0003","38.114","0.002","90","","102.648","0.003","90","","4266.7","0.4","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","nucleolipid","","- C41 H73 N3 O9 -","- C41 H73 N3 O9 -","- C164 H292 N12 O36 -","4","1","","Nuthanakanti, Ashok","Cytidine and ribothymidine nucleolipids synthesis, organogelation, and selective anion and metal ion responsiveness","New Journal of Chemistry","2019","43","34","13447","","10.1039/C9NJ03276B","","","1.54178","CuKα","","0.1044","0.0886","","","0.2435","0.2516","","","","","","1.648","","","","has coordinates","224970","2020-10-21","18:00:00",""
"7058669","7.9308","0.0006","7.9752","0.0006","12.3077","0.0012","89.175","0.007","73.899","0.008","68.845","0.007","694.32","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O2 Se -","- C17 H12 O2 Se -","- C34 H24 O4 Se2 -","2","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.0705","0.0452","","","0.0843","0.0941","","","","","","0.993","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058670","11.1532","0.0006","9.0889","0.0007","12.7922","0.0007","90","","91.441","0.005","90","","1296.34","0.14","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 F O2 Se -","- C16 H9 F O2 Se -","- C64 H36 F4 O8 Se4 -","4","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.0968","0.0639","","","0.1437","0.1695","","","","","","1.048","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058671","7.9915","0.0003","9.0274","0.0004","11.517","0.0004","103.912","0.004","101.386","0.004","93.706","0.004","785.11","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 F O2 Se -","- C20 H11 F O2 Se -","- C40 H22 F2 O4 Se2 -","2","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.0427","0.033","","","0.0789","0.0837","","","","","","1.062","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058672","7.8103","0.0003","7.973","0.0004","14.4279","0.0006","95.901","0.004","95.642","0.004","104.78","0.004","856.84","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 I O2 Se -","- C20 H11 I O2 Se -","- C40 H22 I2 O4 Se2 -","2","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.0605","0.0448","","","0.1045","0.1166","","","","","","1.021","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058673","8.0372","0.0002","9.3175","0.0003","11.5027","0.0004","106.318","0.003","102.141","0.003","90.953","0.003","805.57","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 Cl O2 Se -","- C20 H11 Cl O2 Se -","- C40 H22 Cl2 O4 Se2 -","2","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.0398","0.0305","","","0.0655","0.0696","","","","","","1.053","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058674","8.3211","0.0006","22.004","0.0012","6.9051","0.0005","90","","98.333","0.007","90","","1250.96","0.15","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 Se -","- C16 H10 O2 Se -","- C64 H40 O8 Se4 -","4","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.1391","0.1064","","","0.2508","0.2654","","","","","","1.028","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058675","7.7944","0.0008","7.9496","0.0007","12.1938","0.0011","91.575","0.007","105.071","0.008","110.273","0.009","678.58","0.12","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 Cl O2 Se -","- C16 H9 Cl O2 Se -","- C32 H18 Cl2 O4 Se2 -","2","1","","Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents","New Journal of Chemistry","2019","43","35","13751","","10.1039/C9NJ02026H","","","0.71073","MoKα","","0.064","0.0419","","","0.0668","0.0749","","","","","","1.002","","","","has coordinates","224956","2020-10-21","18:00:00",""
"7058676","22.2113","0.0016","10.2422","0.0007","7.8528","0.0005","90","","107.559","0.003","90","","1703.2","0.2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Co O8 -","- C16 H18 Co O8 -","- C64 H72 Co4 O32 -","4","0.5","","Ahamad, M. Naqi; Kumar, Manjeet; Ansari, Azaj; I., Mantasha; Ahmad, Musheer; Shahid, M.","Synthesis, characterization, theoretical studies and catecholase like activities of [MO6] type complexes","New Journal of Chemistry","2019","43","35","14074","","10.1039/C9NJ03729B","","","0.71073","MoKα","","0.0323","0.0294","","","0.0666","0.0678","","","","","","1.0528","","","","has coordinates","224959","2020-10-21","18:00:00",""
"7058677","22.0421","0.0007","10.3423","0.0003","7.8461","0.0002","90","","106.932","0.001","90","","1711.11","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O8 Zn -","- C16 H18 O8 Zn -","- C64 H72 O32 Zn4 -","4","0.5","","Ahamad, M. Naqi; Kumar, Manjeet; Ansari, Azaj; I., Mantasha; Ahmad, Musheer; Shahid, M.","Synthesis, characterization, theoretical studies and catecholase like activities of [MO6] type complexes","New Journal of Chemistry","2019","43","35","14074","","10.1039/C9NJ03729B","","","0.71073","MoKα","","0.0283","0.0247","","","0.0544","0.0564","","","","","","1.091","","","","has coordinates","224959","2020-10-21","18:00:00",""
"7058678","4.9378","0.0003","10.8625","0.0006","31.1686","0.0018","90","","90","","90","","1671.79","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound1","","","- C16 H12 Cd N2 O9 S -","- C16 H12 Cd N2 O9 S -","- C64 H48 Cd4 N8 O36 S4 -","4","1","","Kundu, Tanaya; Manna, Krishna; Jana, Ajay K.; Natarajan, Srinivasan","A luminescent inorganic‒organic hybrid, [Cd(C16H10N2O8S)(H2O)], for the selective and recyclable detection of chromates and dichromates in aqueous solution","New Journal of Chemistry","2019","43","33","13263","","10.1039/C9NJ03224J","","","0.71073","MoKα","","0.0435","0.0304","","","0.0598","0.0627","","","","","","1.024","","","","has coordinates","224759","2020-10-21","18:00:00",""
"7058679","39.603","","43.585","","38.789","","90","","90","","90","","66953.6","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 N18 O30 Zn6 -","- C108 H72 N18 O30 Zn6 -","- C1728 H1152 N288 O480 Zn96 -","16","1","","Qin, Bo-Wen; Zhang, Xiao-Ying; Zhang, Jing-Ping","A stable luminescent zinc‒organic framework as a dual-sensor toward Cu2+ and Cr2O72−, and excellent platform-encapsulated Ln3+ for systematic color tuning and white-light emission","New Journal of Chemistry","2019","43","35","13794","","10.1039/C9NJ02861G","","","0.71073","MoKα","","0.0934","0.0648","","","0.1696","0.1865","","","","","","0.977","","","","has coordinates","224958","2020-10-21","18:00:00",""
"7058680","10.0066","0.0006","6.2343","0.0004","13.5638","0.0009","90","","107.909","0.002","90","","805.17","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N9 O3 -","- C3 H3 N9 O3 -","- C12 H12 N36 O12 -","4","1","","Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.","5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives","New Journal of Chemistry","2019","43","32","12684","","10.1039/C9NJ03306H","","","0.71073","MoKα","","0.0449","0.0298","","","0.0737","0.0811","","","","","","1.033","","","","has coordinates","224736","2020-10-21","18:00:00",""
"7058681","4.7561","0.0005","12.104","0.0012","14.0172","0.0014","90","","90","","90","","806.94","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H4 N10 O2 -","- C3 H4 N10 O2 -","- C12 H16 N40 O8 -","4","1","","Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.","5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives","New Journal of Chemistry","2019","43","32","12684","","10.1039/C9NJ03306H","","","0.71073","MoKα","","0.0262","0.024","","","0.0588","0.0602","","","","","","0.947","","","","has coordinates","224736","2020-10-21","18:00:00",""
"7058682","12.141","0.0006","4.7291","0.0002","15.1338","0.0008","90","","103.803","0.002","90","","843.83","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N10 O3 -","- C3 H4 N10 O3 -","- C12 H16 N40 O12 -","4","1","","Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.","5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives","New Journal of Chemistry","2019","43","32","12684","","10.1039/C9NJ03306H","","","0.71073","MoKα","","0.035","0.0326","","","0.0845","0.0863","","","","","","1.088","","","","has coordinates","224736","2020-10-21","18:00:00",""
"7058683","12.8837","0.0009","4.8567","0.0003","14.9766","0.001","90","","103.973","0.002","90","","909.39","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N11 O2 -","- C3 H5 N11 O2 -","- C12 H20 N44 O8 -","4","1","","Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.","5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives","New Journal of Chemistry","2019","43","32","12684","","10.1039/C9NJ03306H","","","0.71073","MoKα","","0.0449","0.0303","","","0.0724","0.0799","","","","","","1.053","","","","has coordinates","224736","2020-10-21","18:00:00",""
"7058684","12.258","0.003","9.6261","0.0019","18.107","0.004","90","","105.71","0.03","90","","2056.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Au N2 P S2 -","- C20 H18 Au N2 P S2 -","- C80 H72 Au4 N8 P4 S8 -","4","1","","Fereidoonnezhad, Masood; Ahmadi Mirsadeghi, Hasti; Abedanzadeh, Sedigheh; Yazdani, Alireza; Alamdarlou, Arsalan; Babaghasabha, Mojgan; Almansaf, Zainab; Faghih, Zeinab; McConnell, Zachary; Shahsavari, Hamid R.; Beyzavi, M. Hassan","Synthesis and biological evaluation of thiolate gold(i) complexes as thioredoxin reductase (TrxR) and glutathione reductase (GR) inhibitors","New Journal of Chemistry","2019","43","33","13173","","10.1039/C9NJ02502B","","x-ray","0.71073","MoKα","","0.0827","0.0469","","","0.1016","0.1116","","","","","","0.871","","","","has coordinates","224758","2020-10-21","18:00:00",""
"7058685","9.2477","0.0018","17.742","0.003","12.591","0.003","90","","93.63","0.03","90","","2061.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Au N3 P S -","- C21 H17 Au N3 P S -","- C84 H68 Au4 N12 P4 S4 -","4","1","","Fereidoonnezhad, Masood; Ahmadi Mirsadeghi, Hasti; Abedanzadeh, Sedigheh; Yazdani, Alireza; Alamdarlou, Arsalan; Babaghasabha, Mojgan; Almansaf, Zainab; Faghih, Zeinab; McConnell, Zachary; Shahsavari, Hamid R.; Beyzavi, M. Hassan","Synthesis and biological evaluation of thiolate gold(i) complexes as thioredoxin reductase (TrxR) and glutathione reductase (GR) inhibitors","New Journal of Chemistry","2019","43","33","13173","","10.1039/C9NJ02502B","","x-ray","0.71073","MoKα","","0.0688","0.0337","","","0.0629","0.0687","","","","","","0.871","","","","has coordinates","224758","2020-10-21","18:00:00",""
"7058686","12.166","0.004","17.6501","0.001","14.104","0.007","90","","114.646","0.011","90","","2752.7","1.7","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H20 Mn N2 O8 -","- C34 H20 Mn N2 O8 -","- C136 H80 Mn4 N8 O32 -","4","0.5","","Fan, Liming; Liu, Zhangjie; Zhang, Yujuan; Wang, Feng; Zhao, Dongsheng; Yang, Jiandong; Zhang, Xiutang","Luminescence sensing, electrochemical, and magenetic properties of 2D coordination polymers based on the mixed ligands p-terphenyl-2,2′′,5′′,5′′′-tetracarboxylate acid and 1,10-phenanthroline","New Journal of Chemistry","2019","43","34","13349","","10.1039/C9NJ03530C","","","0.71073","MoKα","","0.0991","0.0658","","","0.1619","0.1846","","","","","","1.044","","","","has coordinates,has disorder","224962","2020-10-21","18:00:00",""
"7058687","9.28","0.005","10.104","0.005","10.836","0.006","67.98","0.02","76.875","0.019","67.945","0.015","868.6","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cu N2 O4 -","- C23 H13 Cu N2 O4 -","- C46 H26 Cu2 N4 O8 -","2","1","","Fan, Liming; Liu, Zhangjie; Zhang, Yujuan; Wang, Feng; Zhao, Dongsheng; Yang, Jiandong; Zhang, Xiutang","Luminescence sensing, electrochemical, and magenetic properties of 2D coordination polymers based on the mixed ligands p-terphenyl-2,2′′,5′′,5′′′-tetracarboxylate acid and 1,10-phenanthroline","New Journal of Chemistry","2019","43","34","13349","","10.1039/C9NJ03530C","","","0.71073","MoKα","","0.0452","0.0361","","","0.1252","0.1315","","","","","","1.065","","","","has coordinates","224962","2020-10-21","18:00:00",""
"7058688","20.831","0.016","9.137","0.006","20.062","0.015","90","","96.34","0.03","90","","3795","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Mn N2 O4 -","- C23 H13 Mn N2 O4 -","- C184 H104 Mn8 N16 O32 -","8","1","","Fan, Liming; Liu, Zhangjie; Zhang, Yujuan; Wang, Feng; Zhao, Dongsheng; Yang, Jiandong; Zhang, Xiutang","Luminescence sensing, electrochemical, and magenetic properties of 2D coordination polymers based on the mixed ligands p-terphenyl-2,2′′,5′′,5′′′-tetracarboxylate acid and 1,10-phenanthroline","New Journal of Chemistry","2019","43","34","13349","","10.1039/C9NJ03530C","","","0.71073","MoKα","","0.0998","0.0518","","","0.1044","0.1189","","","","","","1.035","","","","has coordinates","224962","2020-10-21","18:00:00",""
"7058689","9.7425","0.0004","9.7964","0.0004","10.3959","0.0005","77.963","0.001","81.976","0.001","69.656","0.001","907.42","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Cd2 N4 O8 -","- C46 H26 Cd2 N4 O8 -","- C46 H26 Cd2 N4 O8 -","1","0.5","","Fan, Liming; Liu, Zhangjie; Zhang, Yujuan; Wang, Feng; Zhao, Dongsheng; Yang, Jiandong; Zhang, Xiutang","Luminescence sensing, electrochemical, and magenetic properties of 2D coordination polymers based on the mixed ligands p-terphenyl-2,2′′,5′′,5′′′-tetracarboxylate acid and 1,10-phenanthroline","New Journal of Chemistry","2019","43","34","13349","","10.1039/C9NJ03530C","","","0.71076","MoKα","","0.0262","0.0236","","","0.0606","0.062","","","","","","1.0489","","","","has coordinates","224962","2020-10-21","18:00:00",""
"7058690","10.084","0.004","13.499","0.006","10.89","0.005","90","","110.21","0.01","90","","1391.1","1.1","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H6 B F7 O2 -","- C15 H6 B F7 O2 -","- C60 H24 B4 F28 O8 -","4","1","","Kononevich, Yuriy N.; Sazhnikov, Viacheslav A.; Belova, Anastasia S.; Korlyukov, Alexander A.; Volodin, Alexander D.; Safonov, Andrey A.; Yurasik, Georgy A.; Ionov, Dmitriy S.; Muzafarov, Aziz M.","Turn-on exciplex fluorescence induced by complexation of nonfluorescent pentafluorinated dibenzoylmethanatoboron difluoride with benzene and its derivatives","New Journal of Chemistry","2019","43","35","13725","","10.1039/C9NJ03722E","","x-ray","0.71073","MoKα","","0.0845","0.0502","","","0.1068","0.1243","","","","","","1.036","","","","has coordinates","224952","2020-10-21","18:00:00",""
"7058691","16.097","0.0015","7.0994","0.0004","24.04","0.002","90","","104.105","0.007","90","","2664.4","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl Fe N3 O3 -","- C29 H29 Cl Fe N3 O3 -","- C116 H116 Cl4 Fe4 N12 O12 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","1.54186","CuKα","","0.0635","0.0386","","","0.0844","0.0882","","","","","","0.834","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058692","12.185","0.001","16.5136","0.0009","13.1192","0.0009","90","","114.409","0.009","90","","2403.9","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br2 Cl Fe N3 O4 -","- C21 H23 Br2 Cl Fe N3 O4 -","- C84 H92 Br8 Cl4 Fe4 N12 O16 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.1041","0.0478","","","0.0778","0.0922","","","","","","1.019","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058693","9.8897","0.0006","10.8138","0.0006","22.2761","0.0013","90.162","0.005","91.327","0.005","107.242","0.005","2274.5","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Cl Fe N3 O4 -","- C23 H29 Cl Fe N3 O4 -","- C92 H116 Cl4 Fe4 N12 O16 -","4","2","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.0735","0.05","","","0.1185","0.1258","","","","","","0.995","","","","has coordinates,has disorder","224955","2020-10-21","18:00:00",""
"7058694","18.021","0.003","7.448","0.005","18.822","0.002","90","","96.64","0.01","90","","2509.4","1.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl Fe N3 O2 -","- C28 H27 Cl Fe N3 O2 -","- C112 H108 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.078","0.0387","","","0.0722","0.0855","","","","","","1.032","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058695","10.8572","0.0004","10.4047","0.0003","18.9387","0.0007","90","","101.464","0.004","90","","2096.75","0.13","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl Fe N3 O4 -","- C20 H23 Cl Fe N3 O4 -","- C80 H92 Cl4 Fe4 N12 O16 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.1011","0.0665","","","0.0822","0.1006","","","","","","1.24","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058696","12.007","0.001","16.941","0.001","13.663","0.001","90","","112.82","0.01","90","","2561.7","0.4","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Br2 Cl Fe N3 O5 -","- C22 H27 Br2 Cl Fe N3 O5 -","- C88 H108 Br8 Cl4 Fe4 N12 O20 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.2067","0.0939","","","0.135","0.1843","","","","","","1.088","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058697","11.536","0.0004","12.673","0.0004","16.2456","0.0005","94.651","0.002","101.474","0.003","106.584","0.003","2206.59","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 Br2 Cl Fe N3 O3 -","- C19 H21 Br2 Cl Fe N3 O3 -","- C76 H84 Br8 Cl4 Fe4 N12 O12 -","4","2","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71069","MoKα","","0.0474","0.029","","","0.0575","0.0596","","","","","","0.94","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058698","7.5539","0.0004","23.432","0.001","14.244","0.001","90","","95.577","0.005","90","","2509.3","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl Fe N3 O2 -","- C29 H29 Cl Fe N3 O2 -","- C116 H116 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.144","0.0728","","","0.0871","0.1045","","","","","","1.138","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058699","15.733","0.005","15.024","0.005","10.024","0.005","90","","90","","90","","2369.4","1.6","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H21 Br2 Cl Fe N3 O2 -","- C20 H21 Br2 Cl Fe N3 O2 -","- C80 H84 Br8 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.0535","0.0381","","","0.0922","0.0954","","","","","","0.961","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058700","18.8416","0.0003","27.6317","0.0004","11.0612","0.0002","90","","99.769","0.001","90","","5675.24","0.16","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Br4 Cl2 Fe2 N6 O10 -","- C46 H58 Br4 Cl2 Fe2 N6 O10 -","- C184 H232 Br16 Cl8 Fe8 N24 O40 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.0672","0.0391","","","0.0847","0.0908","","","","","","1.062","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058701","7.6216","0.0005","12.2155","0.0007","23.446","0.001","90","","98.896","0.005","90","","2156.6","0.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 Cl Fe N3 O2 -","- C20 H21 Br2 Cl Fe N3 O2 -","- C80 H84 Br8 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.0599","0.0353","","","0.0737","0.0832","","","","","","1.022","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058702","9.9944","0.0002","22.3122","0.0005","10.9698","0.0002","90","","107.526","0.002","90","","2332.68","0.09","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl Fe N3 O4 -","- C23 H29 Cl Fe N3 O4 -","- C92 H116 Cl4 Fe4 N12 O16 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","1.54186","CuKα","","0.054","0.0339","","","0.0763","0.0799","","","","","","0.835","","","","has coordinates,has disorder","224955","2020-10-21","18:00:00",""
"7058703","18.7064","0.0008","27.4015","0.0014","10.9938","0.0003","90","","99.769","0.003","90","","5553.5","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H64 Br4 Cl2 Fe2 N6 O11 -","- C49 H64 Br4 Cl2 Fe2 N6 O11 -","- C196 H256 Br16 Cl8 Fe8 N24 O44 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.0253","0.0221","","","0.0554","0.0564","","","","","","1.051","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058704","17.2607","0.0008","12.3502","0.0006","20.2823","0.0009","90","","92.0553","0.0007","90","","4320.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H92 Eu2 N8 O22 -","- C94 H92 Eu2 N8 O22 -","- C188 H184 Eu4 N16 O44 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0415","0.0292","","","0.0672","0.0734","","","","","","1.022","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058705","11.3201","0.001","12.0641","0.001","15.0263","0.0012","88.384","0.001","83.721","0.002","68.535","0.001","1898.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H78 Er2 N4 O22 -","- C74 H78 Er2 N4 O22 -","- C74 H78 Er2 N4 O22 -","1","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0928","0.055","","","0.1282","0.1553","","","","","","0.933","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058706","17.1988","0.0012","12.256","0.0009","20.2497","0.0014","90","","92.024","0.001","90","","4265.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 Gd2 N8 O22 -","- C94 H94 Gd2 N8 O22 -","- C188 H188 Gd4 N16 O44 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0457","0.0295","","","0.0625","0.0692","","","","","","1.005","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058707","11.4683","0.0017","12.1254","0.0018","15.092","0.002","88.418","0.003","95.9","0.003","111.89","0.003","1936.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H78 Ce2 N4 O22 -","- C74 H78 Ce2 N4 O22 -","- C74 H78 Ce2 N4 O22 -","1","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.1696","0.0853","","","0.1912","0.2361","","","","","","0.897","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058708","17.2971","0.0009","12.3645","0.0006","20.2045","0.001","90","","92.291","0.0008","90","","4317.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 N8 Nd2 O22 -","- C94 H94 N8 Nd2 O22 -","- C188 H188 N16 Nd4 O44 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0474","0.0314","","","0.0668","0.0732","","","","","","1.019","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058709","17.1988","0.0012","12.256","0.0009","20.2497","0.0014","90","","92.024","0.001","90","","4265.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 N8 O22 Tb2 -","- C94 H94 N8 O22 Tb2 -","- C188 H188 N16 O44 Tb4 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.068","0.0384","","","0.0749","0.0855","","","","","","0.99","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058710","17.3073","0.0009","12.3374","0.0006","20.4274","0.001","90","","91.7501","0.0008","90","","4359.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 N8 O22 Yb2 -","- C94 H94 N8 O22 Yb2 -","- C188 H188 N16 O44 Yb4 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0447","0.0287","","","0.0593","0.0648","","","","","","1.026","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058711","17.2971","0.0009","12.3645","0.0006","20.2045","0.001","90","","92.291","0.0008","90","","4317.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 N8 O22 Pr2 -","- C94 H94 N8 O22 Pr2 -","- C188 H188 N16 O44 Pr4 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0508","0.0325","","","0.0678","0.0749","","","","","","1.013","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058712","17.3228","0.0008","12.3831","0.0005","20.303","0.0009","90","","92.0594","0.0007","90","","4352.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 N8 O22 Sm2 -","- C94 H94 N8 O22 Sm2 -","- C188 H188 N16 O44 Sm4 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0367","0.0262","","","0.0607","0.0654","","","","","","1.034","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058713","17.1988","0.0012","12.256","0.0009","20.2497","0.0014","90","","92.024","0.001","90","","4265.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 Ce2 N8 O22 -","- C94 H94 Ce2 N8 O22 -","- C188 H188 Ce4 N16 O44 -","2","0.5","","He, Jiangrong; Wang, Jun; Xu, Qiuxia; Wu, Xiren; Dutta, Archisman; Kumar, Abhinav; Muddassir, Mohd.; Alowais, Ahmad; Abduh, Naaser A. Y.","Syntheses and crystal structures of new dinuclear lanthanide complexes based on 3-(4-hydroxyphenyl)propanoic acid: Hirshfeld surface analyses and photoluminescence sensing","New Journal of Chemistry","2019","43","34","13499","","10.1039/C9NJ02213A","","","0.71073","MoKα","","0.0932","0.0489","","","0.1242","0.157","","","","","","0.991","","","","has coordinates","224969","2020-10-21","18:00:00",""
"7058714","5.24111","0.00016","9.0391","0.00023","5.18179","0.00012","90","","110.049","0.0022","90","","230.61","0.011","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium cobalt antimonate","lithium cobalt(+2) antimony oxide","","- Co2 Li3 O6 Sb -","- Co1.9998 Li3.0002 O6 Sb -","- Co3.9996 Li6.0004 O12 Sb2 -","2","0.25","","Stratan, Mikhail I.; Shukaev, Igor L.; Vasilchikova, Tatyana M.; Vasiliev, Alexander N.; Korshunov, Artem N.; Kurbakov, Alexander I.; Nalbandyan, Vladimir B.; Zvereva, Elena A.","Synthesis, structure and magnetic properties of honeycomb-layered Li3Co2SbO6 with new data on its sodium precursor, Na3Co2SbO6","New Journal of Chemistry","2019","43","34","13545","","10.1039/C9NJ03627J","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.03259","","2.25","","","","","","","has coordinates","224967","2020-10-21","18:00:00",""
"7058715","11.1312","0.0014","12.9663","0.0017","19.98","0.003","82.601","0.002","89.156","0.002","78.132","0.002","2798.4","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Br N5 O4 S -","- C28 H30 Br N5 O4 S -","- C112 H120 Br4 N20 O16 S4 -","4","2","","Ansari, Arshad J.; Pathare, Ramdas S.; Kumawat, Anita; Maurya, Antim K.; Verma, Sarika; Agnihotri, Vijai K.; Joshi, Rahul; Metre, Ramesh K.; Sharon, Ashoke; Pardasani, R. T.; Sawant, Devesh M.","A diversity-oriented synthesis of polyheterocycles via the cyclocondensation of azomethine imine","New Journal of Chemistry","2019","43","35","13721","","10.1039/C9NJ02874A","","","0.71073","MoKα","","0.0908","0.0684","","","0.1785","0.2357","","","","","","1.073","","","","has coordinates","224948","2020-10-21","18:00:00",""
"7058716","7.6748","0.0004","9.367","0.0004","13.8037","0.0006","84.937","0.004","89.503","0.004","80.948","0.004","976.15","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Cl N4 O2 S -","- C18 H19 Cl N4 O2 S -","- C36 H38 Cl2 N8 O4 S2 -","2","1","","Ansari, Arshad J.; Pathare, Ramdas S.; Kumawat, Anita; Maurya, Antim K.; Verma, Sarika; Agnihotri, Vijai K.; Joshi, Rahul; Metre, Ramesh K.; Sharon, Ashoke; Pardasani, R. T.; Sawant, Devesh M.","A diversity-oriented synthesis of polyheterocycles via the cyclocondensation of azomethine imine","New Journal of Chemistry","2019","43","35","13721","","10.1039/C9NJ02874A","","x-ray","0.71073","MoKα","","0.0631","0.0454","","","0.1391","0.1516","","","","","","1.03","","","","has coordinates","224948","2020-10-21","18:00:00",""
"7058717","7.7762","0.0002","8.2847","0.0004","13.7706","0.0006","99.715","0.004","94.914","0.003","94.61","0.003","867.14","0.06","292","0.2","292","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 O8 -","- C40 H40 O8 -","- C40 H40 O8 -","1","0.5","","Zhu, Chun-rong; Xie, Jia-ping; Mou, Hong-rong; Huang, Zhen-jie; Tang, Qian; Gong, Cheng-bin; Fu, Xiang-kai","Dual-colored 4,4′,4′′,4′′′-(cyclobutane-1,2,3,4-tetrayl)-tetrabenzoate electrochromic materials with large optical contrast and coloration efficiency","New Journal of Chemistry","2019","43","34","13654","","10.1039/C9NJ03352A","","x-ray","1.54184","CuKα","","0.0621","0.058","","","0.1631","0.1684","","","","","","1.048","","","","has coordinates,has disorder","224972","2020-10-21","18:00:00",""
"7058718","7.8343","0.0016","12.119","0.002","14.315","0.003","85.66","0.03","78.01","0.03","79.57","0.03","1306.5","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Naphtaldehyde disulfide Schiff base","","- C34 H24 N2 S2 -","- C34 H24 N2 S2 -","- C68 H48 N4 S4 -","2","1","","Nouri Moghadam, Fariba; Amirnasr, Mehdi; Eskandari, Kiamars; Meghdadi, Soraia","A new disulfide Schiff base as a versatile “OFF‒ON‒OFF” fluorescent‒colorimetric chemosensor for sequential detection of CN− and Fe3+ ions: combined experimental and theoretical studies","New Journal of Chemistry","2019","43","34","13536","","10.1039/C9NJ03049B","","","0.71073","MoKα","","0.0713","0.0397","","","0.0865","0.0923","","","","","","0.812","","","","has coordinates","224961","2020-10-21","18:00:00",""
"7058719","19.016","0.016","12.875","0.008","7.696","0.005","90","","90","","90","","1884","2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H18 Fe N4 O2 -","- C21 H18 Fe N4 O2 -","- C84 H72 Fe4 N16 O8 -","4","1","","de Resende Filho, João Batista M.; Falcão, Nathália Kellyne S. M.; Pires, Gilvan P.; de Vasconcelos, Luiz Fernando S.; Pinheiro, Sávio M.; dos Santos Filho, José Maurício; Frazão Barbosa, Marília Imaculada; Doriguetto, Antônio Carlos; Teotonio, Ercules E. S.; Vale, Juliana A.","Lanthanide‒EDTA complexes covalently bonded on Fe3O4@SiO2 magnetic nanoparticles promote the green, stereoselective synthesis of N-acylhydrazones","New Journal of Chemistry","2019","43","36","14257","","10.1039/C9NJ02916H","","","0.71073","MoKα","","0.1099","0.0645","","","0.1562","0.2004","","","","","","1.011","","","","has coordinates","224947","2020-10-21","18:00:00",""
"7058720","8.1533","0.0006","16.1324","0.0012","10.8149","0.0008","90","","111.027","0.003","90","","1327.79","0.17","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 B F2 N4 -","- C15 H13 B F2 N4 -","- C60 H52 B4 F8 N16 -","4","1","","Hanson, Tanner B.; Chudomelka, Drayko D.; Heiden, Zachariah M.","Synthesis and characterization of hydrazine-appended BODIPY dyes and the related aminomethyl complexes","New Journal of Chemistry","2019","43","33","13103","","10.1039/C9NJ02859E","","","0.71076","MoKα","","0.0496","0.038","","","0.089","0.0962","","","","","","1.0547","","","","has coordinates","224760","2020-10-21","18:00:00",""
"7058721","6.2353","0.0004","13.4196","0.0009","11.5682","0.0007","90","","99.876","0.002","90","","953.63","0.11","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 B F2 N4 -","- C9 H9 B F2 N4 -","- C36 H36 B4 F8 N16 -","4","1","","Hanson, Tanner B.; Chudomelka, Drayko D.; Heiden, Zachariah M.","Synthesis and characterization of hydrazine-appended BODIPY dyes and the related aminomethyl complexes","New Journal of Chemistry","2019","43","33","13103","","10.1039/C9NJ02859E","","","0.71073","MoKα","","0.041","0.0325","","","0.0776","0.0825","","","","","","1.0563","","","","has coordinates","224760","2020-10-21","18:00:00",""
"7058722","8.6566","0.0002","23.5651","0.0009","17.3653","0.0005","90","","98.966","0.002","90","","3499.13","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Au F6 N4 P S -","- C30 H44 Au F6 N4 P S -","- C120 H176 Au4 F24 N16 P4 S4 -","4","1","","Sulaiman, Adam A. A.; Kalia, Namarta; Bhatia, Gaurav; Kaur, Manpreet; Fettouhi, Mohammed; Altaf, Muhammad; Baig, Nadeem; Kawde, Abdel-Nasser; Isab, Anvarhusein A.","Cytotoxic effects of gold(i) complexes against colon, cervical and osteo carcinoma cell lines: a mechanistic approach","New Journal of Chemistry","2019","43","36","14565","","10.1039/C9NJ02063B","","","0.71073","MoKα","","0.0259","0.0197","","","0.0452","0.0465","","","","","","1.015","","","","has coordinates,has disorder","224943","2020-10-21","18:00:00",""
"7058723","9.2495","0.0008","15.4744","0.0014","23.37","0.002","90","","96.419","0.002","90","","3324","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Au F6 N4 P S -","- C28 H40 Au F6 N4 P S -","- C112 H160 Au4 F24 N16 P4 S4 -","4","1","","Sulaiman, Adam A. A.; Kalia, Namarta; Bhatia, Gaurav; Kaur, Manpreet; Fettouhi, Mohammed; Altaf, Muhammad; Baig, Nadeem; Kawde, Abdel-Nasser; Isab, Anvarhusein A.","Cytotoxic effects of gold(i) complexes against colon, cervical and osteo carcinoma cell lines: a mechanistic approach","New Journal of Chemistry","2019","43","36","14565","","10.1039/C9NJ02063B","","","0.71073","MoKα","","0.0612","0.0508","","","0.1488","0.1597","","","","","","1.07","","","","has coordinates","224943","2020-10-21","18:00:00",""
"7058724","6.7073","0.0004","8.8246","0.0007","18.6187","0.0012","90","","90","","90","","1102.03","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H2 N8 O10 -","- C4 H2 N8 O10 -","- C16 H8 N32 O40 -","4","1","","Xiong, Hualin; Yang, Hongwei; Cheng, Guangbin","3-Trinitromethyl-4-nitro-5-nitramine-1H-pyrazole: a high energy density oxidizer","New Journal of Chemistry","2019","43","35","13827","","10.1039/C9NJ02732G","","","0.71073","MoKα","","0.0589","0.0356","","","0.0634","0.0698","","","","","","1.041","","","","has coordinates","224951","2020-10-21","18:00:00",""
"7058725","14.2662","0.0006","7.0922","0.0003","15.6154","0.0006","90","","90.952","0.001","90","","1579.73","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 N10 O11 -","- C7 H12 N10 O11 -","- C28 H48 N40 O44 -","4","1","","Lu, Tian; Wang, Chenbin; Wang, Guilong; Wang, Shaoqing; Song, Jia; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","1,2,4-Oxadiazole-derived polynitro energetic compounds with sensitivity reduced by a methylene bridge","New Journal of Chemistry","2019","43","34","13330","","10.1039/C9NJ01452G","","","0.71073","MoKα","","0.0542","0.0462","","","0.1198","0.1283","","","","","","0.914","","","","has coordinates","224968","2020-10-21","18:00:00",""
"7058726","15.5467","0.0009","7.7138","0.0005","13.3519","0.0008","90","","107.417","0.002","90","","1527.8","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","0.5","","Lu, Tian; Wang, Chenbin; Wang, Guilong; Wang, Shaoqing; Song, Jia; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","1,2,4-Oxadiazole-derived polynitro energetic compounds with sensitivity reduced by a methylene bridge","New Journal of Chemistry","2019","43","34","13330","","10.1039/C9NJ01452G","","","0.71073","MoKα","","0.0392","0.034","","","0.0988","0.104","","","","","","1.036","","","","has coordinates","224968","2020-10-21","18:00:00",""
"7058727","10.93249","0.00009","9.91005","0.00011","24.12328","0.00019","90","","90.3898","0.0008","90","","2613.49","0.04","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 N8 O33 V10 -","- C28 H56 N8 O33 V10 -","- C56 H112 N16 O66 V20 -","2","0.5","","Gonzalez-Vergara, Enrique; Sánchez-Lara, Eduardo; Martínez-Valencia, Beatriz; Corona-Motolinia, Nidia D.; Sánchez-Gaytán, Brenda L.; Castro, María Eugenia; Bernès, Sylvain; Mendez-Rojas, Miguel; Meléndez Bustamante, Francisco","One-dimensional supramolecular chain based on [H2V10O28]4- units decorated with 4-dimethylaminopyridinium ions: An experimental and theoretical characterization","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02097G","","","1.5418","CuKα","","0.0341","0.0298","","","0.0817","0.0851","","","","","","1.037","","","","has coordinates","217418","2020-10-21","18:00:00",""
"7058728","14.6082","0.0004","25.0963","0.0007","24.911","0.0006","90","","98.929","0.001","90","","9022","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 Cu4 In P3 Se7 -","- C96 H80 Cu4 In P3 Se7 -","- C384 H320 Cu16 In4 P12 Se28 -","4","1","","Mello, Melina de Azevedo; Rodrigues, Jéssica Fonseca; Salgueiro Soares, Thiago André; Silva, Germana Michelle de Medeiros e; Piquini, Paulo Cesar; Tirloni, Bárbara; Machado, Giovanna; Lang, Ernesto Schulz","Synthesis and characterisation of [Cu4In(PPh3)3SePh(μ-SePh)3(μ3-SePh)3], and its application as a precursor of a sensitizer for a photocatalyst","New Journal of Chemistry","2019","43","35","14196","","10.1039/C9NJ02046B","","","0.71073","MoKα","","0.0785","0.0376","","","0.0745","0.0862","","","","","","0.986","","","","has coordinates","224949","2020-10-21","18:00:00",""
"7058729","13.886","0.005","16.596","0.005","15.351","0.005","90","0.005","99.856","0.005","90","0.005","3485","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ir-complex","","","- C35 H45 Cl F6 Ir N2 P -","- C35 H45 Cl F6 Ir N2 P -","- C140 H180 Cl4 F24 Ir4 N8 P4 -","4","1","","Dhiman, Rekha; Nagaraja, C. M.","Photochemical oxidation of water catalysed by cyclometalated Ir(iii) complexes bearing Schiff-base ligands","New Journal of Chemistry","2019","43","34","13662","","10.1039/C9NJ02281C","","","0.71073","MoKα","","0.0189","0.0178","","","0.0454","0.046","","","","","","1.065","","","","has coordinates","224963","2020-10-21","18:00:00",""
"7058730","18.109","0.005","8.601","0.005","19.89","0.005","90","0.005","106.934","0.005","90","0.005","2964","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ir-Isomer","","","- C22 H23 Cl3 F6 Ir N2 P -","- C22 H23 Cl3 F6 Ir N2 P -","- C88 H92 Cl12 F24 Ir4 N8 P4 -","4","1","","Dhiman, Rekha; Nagaraja, C. M.","Photochemical oxidation of water catalysed by cyclometalated Ir(iii) complexes bearing Schiff-base ligands","New Journal of Chemistry","2019","43","34","13662","","10.1039/C9NJ02281C","","","0.71073","MoKα","","0.0517","0.0459","","","0.1506","0.1556","","","","","","1.051","","","","has coordinates","224963","2020-10-21","18:00:00",""
"7058731","10.8578","0.0011","11.1514","0.0008","14.9194","0.0011","71.686","0.006","87.796","0.006","72.756","0.006","1634.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 O19 Zn3 -","- C32 H28 O19 Zn3 -","- C64 H56 O38 Zn6 -","2","1","","Wang, Yan; He, Yuan-Chun; Zhao, Fang-Hua; Zhu, Kunlei; Li, Jie; Kan, Wei-Qiu; Jing, Zhihong; You, Jinmao","Synthesis, structure, fluorescence and electrochemical properties of a new Zn(ii)‒organic framework constructed by a tricarboxylic acid ligand","New Journal of Chemistry","2019","43","34","13635","","10.1039/C9NJ02679G","","","0.71073","MoKα","","0.0966","0.0597","","","0.1159","0.1471","","","","","","1.03","","","","has coordinates,has disorder","224974","2020-10-21","18:00:00",""
"7058732","36.212","0.012","7.359","0.002","21.219","0.007","90","","113.185","0.006","90","","5198","3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H11 Fe2 O6 S4 -","- C27 H11 Fe2 O6 S4 -","- C216 H88 Fe16 O48 S32 -","8","1","","Watanabe, Motonori; Goto, Kenta; Miyazaki, Takaaki; Shibahara, Masahiko; Chang, Yuan Jay; Chow, Tahsin J.; Ishihara, Tatsumi","Electrocatalytic hydrogen production using [FeFe]-hydrogenase mimics based on tetracene derivatives","New Journal of Chemistry","2019","43","35","13810","","10.1039/C9NJ02790D","","","0.71075","MoKα","","0.0478","0.0444","","","0.1019","0.1043","","","","","","1.194","","","","has coordinates,has disorder","224953","2020-10-21","18:00:00",""
"7058733","12.232","0.005","9.726","0.004","13.98","0.005","90","","107.386","0.009","90","","1587.2","1.1","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 Fe4 O12 S4 -","- C30 H8 Fe4 O12 S4 -","- C60 H16 Fe8 O24 S8 -","2","0.5","","Watanabe, Motonori; Goto, Kenta; Miyazaki, Takaaki; Shibahara, Masahiko; Chang, Yuan Jay; Chow, Tahsin J.; Ishihara, Tatsumi","Electrocatalytic hydrogen production using [FeFe]-hydrogenase mimics based on tetracene derivatives","New Journal of Chemistry","2019","43","35","13810","","10.1039/C9NJ02790D","","","0.71075","MoKα","","0.0554","0.0465","","","0.0877","0.0926","","","","","","1.129","","","","has coordinates","224953","2020-10-21","18:00:00",""
"7058734","14.417","0.003","7.9325","0.0016","24.414","0.005","90","","101.44","0.03","90","","2736.6","1","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Mn N10 O20 -","- C16 H20 Mn N10 O20 -","- C64 H80 Mn4 N40 O80 -","4","0.5","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.0605","0.0541","","","0.1274","0.1323","","","","","","1.131","","","","has coordinates","224950","2020-10-21","18:00:00",""
"7058735","7.1087","0.0014","14.163","0.003","15.289","0.003","112.32","0.03","100.42","0.03","103.26","0.03","1323.2","0.7","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu N10 O20 -","- C16 H20 Cu N10 O20 -","- C32 H40 Cu2 N20 O40 -","2","1","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.1026","0.0842","","","0.1541","0.1677","","","","","","1.143","","","","has coordinates,has disorder","224950","2020-10-21","18:00:00",""
"7058736","7.1016","0.0014","7.9404","0.0016","12.364","0.003","96.25","0.03","92.51","0.03","105.12","0.03","667.2","0.3","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N10 O20 Zn -","- C16 H20 N10 O20 Zn -","- C16 H20 N10 O20 Zn -","1","0.5","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.0443","0.0432","","","0.0916","0.0925","","","","","","1.068","","","","has coordinates,has disorder","224950","2020-10-21","18:00:00",""
"7058737","14.392","0.003","7.9132","0.0016","24.259","0.005","90","","101.34","0.03","90","","2708.8","1","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Fe N10 O20 -","- C16 H20 Fe N10 O20 -","- C64 H80 Fe4 N40 O80 -","4","0.5","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.0456","0.0427","","","0.1009","0.1029","","","","","","1.112","","","","has coordinates","224950","2020-10-21","18:00:00",""
"7058738","14.276","0.003","7.9662","0.0016","24.212","0.005","90","","101.04","0.03","90","","2702.6","1","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N10 Ni O20 -","- C16 H20 N10 Ni O20 -","- C64 H80 N40 Ni4 O80 -","4","0.5","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.0648","0.0551","","","0.1232","0.1306","","","","","","1.082","","","","has coordinates","224950","2020-10-21","18:00:00",""
"7058739","14.361","0.003","7.9175","0.0016","24.317","0.005","90","","101.49","0.03","90","","2709.5","1","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co N10 O20 -","- C16 H20 Co N10 O20 -","- C64 H80 Co4 N40 O80 -","4","0.5","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.0419","0.0397","","","0.0973","0.0989","","","","","","1.07","","","","has coordinates","224950","2020-10-21","18:00:00",""
"7058740","12.551","0.003","8.5075","0.0017","30.293","0.006","90","","99.02","0.03","90","","3194.6","1.2","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Cd N10 O25 -","- C16 H30 Cd N10 O25 -","- C64 H120 Cd4 N40 O100 -","4","0.5","","Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai","Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate","New Journal of Chemistry","2019","43","35","14159","","10.1039/C9NJ03591E","","","0.71073","MoKα","","0.0481","0.0442","","","0.0895","0.0916","","","","","","1.117","","","","has coordinates","224950","2020-10-21","18:00:00",""
"7058741","14.9682","0.0008","9.1406","0.0004","20.6675","0.0008","90","","97.371","0.005","90","","2804.3","0.2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Au2 Cl8 O2 P2 -","- C54 H56 Au2 Cl8 O2 P2 -","- C108 H112 Au4 Cl16 O4 P4 -","2","0.5","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","0.71073","MoKα","","0.0373","0.0299","","","0.0694","0.0742","","","","","","1.065","","","","has coordinates,has disorder","224954","2020-10-21","18:00:00",""
"7058742","9.1677","0.0003","13.2137","0.0004","14.0242","0.0004","102.543","0.001","98.012","0.001","95.766","0.001","1627.06","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H56 Au2 Cl8 O2 P2 -","- C68 H56 Au2 Cl8 O2 P2 -","- C68 H56 Au2 Cl8 O2 P2 -","1","0.5","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","0.71073","MoKα","","0.0177","0.0163","","","0.0396","0.0401","","","","","","1.063","","","","has coordinates,has disorder","224954","2020-10-21","18:00:00",""
"7058743","9.0271","0.0002","15.4167","0.0003","33.6004","0.0007","90","","90.243","0.002","90","","4676.06","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48.18 H42.36 Au2 Cl0.36 O2 P2 -","- C48.18 H42.36 Au2 Cl0.36 O2 P2 -","- C192.72 H169.44 Au8 Cl1.44 O8 P8 -","4","1","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","1.54184","CuKα","","0.0656","0.0603","","","0.1625","0.1718","","","","","","1.063","","","","has coordinates,has disorder","224954","2020-10-21","18:00:00",""
"7058744","15.9763","0.0014","16.2982","0.0014","20.1413","0.0017","90","","112.807","0.002","90","","4834.5","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Au2 Cl2 O2 P2 -","- C57 H42 Au2 Cl2 O2 P2 -","- C228 H168 Au8 Cl8 O8 P8 -","4","1","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","0.71073","MoKα","","0.0617","0.0315","","","0.0498","0.056","","","","","","1.001","","","","has coordinates,has disorder","224954","2020-10-21","18:00:00",""
"7058745","9.3433","0.0005","15.212","0.0009","35.4426","0.0017","90","","105.285","0.001","90","","4859.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 Au2 Cl2 O2 P2 -","- C55 H52 Au2 Cl2 O2 P2 -","- C220 H208 Au8 Cl8 O8 P8 -","4","1","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","1.54184","CuKα","","0.0308","0.028","","","0.069","0.0707","","","","","","1.026","","","","has coordinates","224954","2020-10-21","18:00:00",""
"7058746","21.2923","0.0009","10.4445","0.0002","21.9593","0.0008","90","","118.544","0.005","90","","4289.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 Au2 Cl2 P2 -","- C51 H38 Au2 Cl2 P2 -","- C204 H152 Au8 Cl8 P8 -","4","0.5","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","0.71073","MoKα","","0.0362","0.0315","","","0.0671","0.0705","","","","","","1.059","","","","has coordinates","224954","2020-10-21","18:00:00",""
"7058747","13.2298","0.0005","14.7956","0.0006","16.7821","0.0006","66.157","0.001","83.705","0.001","64.123","0.001","2694.45","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C116 H76 Au4 P4 -","- C116 H76 Au4 P4 -","- C116 H76 Au4 P4 -","1","0.5","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","0.71073","MoKα","","0.035","0.0311","","","0.0765","0.0786","","","","","","1.056","","","","has coordinates","224954","2020-10-21","18:00:00",""
"7058748","14.6199","0.0003","16.5507","0.0002","20.7234","0.0006","90","","101.121","0.002","90","","4920.27","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109.91 H79.82 Au4 Cl3.82 P4 -","- C109.91 H79.82 Au4 Cl3.82 P4 -","- C219.82 H159.64 Au8 Cl7.64 P8 -","2","0.5","","Belyaev, Andrey; Kolesnikov, Ilya; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Solution versus solid-state dual emission of the Au(i)-alkynyl diphosphine complexes via modification of polyaromatic spacers","New Journal of Chemistry","2019","43","35","13741","","10.1039/C9NJ03426A","","","0.71073","MoKα","","0.0555","0.0387","","","0.0911","0.0994","","","","","","1.058","","","","has coordinates,has disorder","224954","2020-10-21","18:00:00",""
"7058749","15.411","0.004","4.6612","0.0013","29.404","0.008","90","","91.133","0.008","90","","2111.8","1","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O10 -","- C21 H20 O10 -","- C84 H80 O40 -","4","1","","Ouyang, Yunyun; Zhang, Yi; Luo, Zheng; Li, Xing; Duan, Abing; Dong, Shengyi","Differences in solubilities, crystal structures, NMR spectra and fluorescence emissions induced by potassium cation/benzo-21-crown-7 molecular recognition","New Journal of Chemistry","2019","43","36","14299","","10.1039/C9NJ03208H","","","0.71073","MoKα","","0.2032","0.1515","","","0.4194","0.4487","","","","","","1.555","","","","has coordinates","224946","2020-10-21","18:00:00",""
"7058750","13.5206","0.0011","14.1906","0.0012","15.6156","0.0016","90","","113.509","0.003","90","","2747.4","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24.5 F6 K N O9 P -","- C23 H24.5 F6 K N O9 P -","- C92 H98 F24 K4 N4 O36 P4 -","4","1","","Ouyang, Yunyun; Zhang, Yi; Luo, Zheng; Li, Xing; Duan, Abing; Dong, Shengyi","Differences in solubilities, crystal structures, NMR spectra and fluorescence emissions induced by potassium cation/benzo-21-crown-7 molecular recognition","New Journal of Chemistry","2019","43","36","14299","","10.1039/C9NJ03208H","","","0.71073","MoKα","","0.1373","0.111","","","0.2996","0.3214","","","","","","1.032","","","","has coordinates,has disorder","224946","2020-10-21","18:00:00",""
"7058751","18.8659","0.0013","13.3682","0.0009","17.1126","0.0012","90","","107.432","0.002","90","","4117.6","0.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H22.1 N2 O4.2 S Zn -","- C19 H22 N2 O4.2 S Zn -","- C152 H176 N16 O33.6 S8 Zn8 -","8","1","","Tella, Adedibu C.; Oladipo, Adetola C.; Adimula, Vincent O.; Ameen, Olanrewaju A.; Bourne, Susan A.; Ogunlaja, Adeniyi S.","Synthesis and crystal structures of a copper(ii) dinuclear complex and zinc(ii) coordination polymers as materials for efficient oxidative desulfurization of dibenzothiophene","New Journal of Chemistry","2019","43","36","14343","","10.1039/C9NJ01456J","","","0.71073","MoKα","","0.0933","0.0702","","","0.2182","0.2455","","","","","","1.061","","","","has coordinates,has disorder","224944","2020-10-21","18:00:00",""
"7058752","9.7035","0.0007","18.8466","0.0014","10.6948","0.0008","90","","102.326","0.002","90","","1910.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu2 N4 O12 -","- C44 H32 Cu2 N4 O12 -","- C88 H64 Cu4 N8 O24 -","2","0.5","","Tella, Adedibu C.; Oladipo, Adetola C.; Adimula, Vincent O.; Ameen, Olanrewaju A.; Bourne, Susan A.; Ogunlaja, Adeniyi S.","Synthesis and crystal structures of a copper(ii) dinuclear complex and zinc(ii) coordination polymers as materials for efficient oxidative desulfurization of dibenzothiophene","New Journal of Chemistry","2019","43","36","14343","","10.1039/C9NJ01456J","","","0.71073","MoKα","","0.0389","0.0282","","","0.0598","0.0645","","","","","","1.014","","","","has coordinates","224944","2020-10-21","18:00:00",""
"7058753","8.8906","0.0007","13.3485","0.0011","17.5144","0.0015","74.841","0.001","86.893","0.002","83.248","0.002","1991.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Zong, Siqi; Liu, Kang; Yue, Xiaohui; Hao, Zhiqiang; Ma, Zhihong; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Ruthenium carbonyl complexes supported by pyridine-alkoxide ligands: synthesis, structure and catalytic oxidation of secondary alcohols","New Journal of Chemistry","2019","43","35","13947","","10.1039/C9NJ03222C","","","0.71073","MoKα","","0.0998","0.0687","","","0.1768","0.1932","","","","","","1.081","","","","has coordinates","224957","2020-10-21","18:00:00",""
"7058754","9.711","0.002","19.058","0.004","20.157","0.004","90","","98.567","0.003","90","","3688.9","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C136 H72 Br8 N8 O40 Ru12 -","4","1","","Zong, Siqi; Liu, Kang; Yue, Xiaohui; Hao, Zhiqiang; Ma, Zhihong; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Ruthenium carbonyl complexes supported by pyridine-alkoxide ligands: synthesis, structure and catalytic oxidation of secondary alcohols","New Journal of Chemistry","2019","43","35","13947","","10.1039/C9NJ03222C","","","0.71073","MoKα","","0.1253","0.0651","","","0.1381","0.1607","","","","","","1.047","","","","has coordinates","224957","2020-10-21","18:00:00",""
"7058755","12.4137","0.0011","12.4513","0.0012","13.0078","0.0013","94.758","0.001","97.726","0.001","107.663","0.002","1882","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 F6 N2 O10 Ru3 -","- C36 H22 F6 N2 O10 Ru3 -","- C72 H44 F12 N4 O20 Ru6 -","2","1","","Zong, Siqi; Liu, Kang; Yue, Xiaohui; Hao, Zhiqiang; Ma, Zhihong; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Ruthenium carbonyl complexes supported by pyridine-alkoxide ligands: synthesis, structure and catalytic oxidation of secondary alcohols","New Journal of Chemistry","2019","43","35","13947","","10.1039/C9NJ03222C","","","0.71073","MoKα","","0.0589","0.0466","","","0.1256","0.1312","","","","","","1.14","","","","has coordinates","224957","2020-10-21","18:00:00",""
"7058756","9.1966","0.0007","17.7452","0.0013","23.7016","0.0018","90","","100.465","0.002","90","","3803.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H18 F6 N2 O10 Ru3 -","- C36 H18 F6 N2 O10 Ru3 -","- C144 H72 F24 N8 O40 Ru12 -","4","1","","Zong, Siqi; Liu, Kang; Yue, Xiaohui; Hao, Zhiqiang; Ma, Zhihong; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Ruthenium carbonyl complexes supported by pyridine-alkoxide ligands: synthesis, structure and catalytic oxidation of secondary alcohols","New Journal of Chemistry","2019","43","35","13947","","10.1039/C9NJ03222C","","","0.71073","MoKα","","0.0815","0.0449","","","0.0787","0.0931","","","","","","1.094","","","","has coordinates,has disorder","224957","2020-10-21","18:00:00",""
"7058757","9.0954","0.0009","32.782","0.003","13.3879","0.0012","90","","91.752","0.001","90","","3989.9","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 Br2 Cl2 N2 O10 Ru3 -","- C35 H24 Br2 Cl2 N2 O10 Ru3 -","- C140 H96 Br8 Cl8 N8 O40 Ru12 -","4","1","","Zong, Siqi; Liu, Kang; Yue, Xiaohui; Hao, Zhiqiang; Ma, Zhihong; Han, Zhangang; Lu, Guo-Liang; Lin, Jin","Ruthenium carbonyl complexes supported by pyridine-alkoxide ligands: synthesis, structure and catalytic oxidation of secondary alcohols","New Journal of Chemistry","2019","43","35","13947","","10.1039/C9NJ03222C","","","0.71073","MoKα","","0.1121","0.0501","","","0.0843","0.0967","","","","","","1.027","","","","has coordinates,has disorder","224957","2020-10-21","18:00:00",""
"7058758","7.2877","0.0009","7.4427","0.0008","13.6865","0.0017","83.102","0.007","85.643","0.006","81.066","0.005","726.8","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N18 O2 Pb Zn -","- C6 H6 N18 O2 Pb Zn -","- C12 H12 N36 O4 Pb2 Zn2 -","2","1","","Wu, Shuo; Lin, Guowei; Yang, Zhengyi; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Crystal structures, thermodynamics and accelerating thermal decomposition of RDX: two new energetic coordination polymers based on a Y-shaped ligand of tris(5-aminotetrazole)triazine","New Journal of Chemistry","2019","43","36","14336","","10.1039/C9NJ03387D","","","0.71073","MoKα","","0.0667","0.0444","","","0.0925","0.1011","","","","","","0.998","","","","has coordinates","224945","2020-10-21","18:00:00",""
"7058759","12.4524","0.0016","9.1886","0.001","25.704","0.003","90","","93.345","0.003","90","","2936","0.6","220","","220","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N36 O5 Zn2 -","- C12 H16 N36 O5 Zn2 -","- C48 H64 N144 O20 Zn8 -","4","1","","Wu, Shuo; Lin, Guowei; Yang, Zhengyi; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Crystal structures, thermodynamics and accelerating thermal decomposition of RDX: two new energetic coordination polymers based on a Y-shaped ligand of tris(5-aminotetrazole)triazine","New Journal of Chemistry","2019","43","36","14336","","10.1039/C9NJ03387D","","","0.71073","MoKα","","0.1881","0.0869","","","0.2461","0.2899","","","","","","1.046","","","","has coordinates","224945","2020-10-21","18:00:00",""
"7058760","16.1754","0.0012","6.0607","0.0004","12.2782","0.0009","90","","90","","90","","1203.68","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Bhattacharyya, Arghyadeep; Makhal, Subhash Chandra; Kumar Mandal, Sujoy; Guchhait, Nikhil","Exploring the hidden potential of a methoxy substituted HBT derivative as an efficient example of coupling of AIE and ESIPT processes and as an energy harvesting platform","New Journal of Chemistry","2019","43","38","15087","","10.1039/C9NJ03340H","","","0.71073","MoKα","","0.0397","0.0344","","","0.0854","0.0883","","","","","","1.012","","","","has coordinates","224989","2020-10-21","18:00:00",""
"7058761","23.206","0.005","23.206","0.005","8.801","0.005","90","","90","","120","","4105","3","273","","273","","","","","","","","","7","P -3","-P 3","147","","","","- C22 H32 Br2 Cl N3 Ni O2 -","- C22 H30 Br2 Cl N3 Ni O -","- C132 H180 Br12 Cl6 N18 Ni6 O6 -","6","1","","Wang, Guohong; Li, Min; Pang, Wenmin; Chen, Min; Tan, Chen","Lewis acids in situ modulate pyridazine-imine Ni catalysed ethylene (co)polymerisation","New Journal of Chemistry","2019","43","34","13630","","10.1039/C9NJ01243E","","","0.71069","MoKα","","0.0978","0.0414","","","0.0916","0.1115","","","","","","0.989","","","","has coordinates,has disorder","224966","2020-10-21","18:00:00",""
"7058762","5.9923","0.0018","10.546","0.003","10.779","0.003","90","","100.379","0.004","90","","670","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 As O3 -","- C5 H9 As O3 -","- C20 H36 As4 O12 -","4","1","","Trubenstein, Henry J.; Moaven, Shiva; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.","Pnictogen bonding with alkoxide cages: which pnictogen is best?","New Journal of Chemistry","2019","43","36","14305","","10.1039/C9NJ03648B","","","0.71073","MoKα","","0.0455","0.0293","","","0.0546","0.0588","","","","","","1.037","","","","has coordinates","224940","2020-10-21","18:00:00",""
"7058763","6.018","0.002","11.627","0.005","10.644","0.004","90","","92.28","0.006","90","","744.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 As O3 -","- C6 H11 As O3 -","- C24 H44 As4 O12 -","4","1","","Trubenstein, Henry J.; Moaven, Shiva; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.","Pnictogen bonding with alkoxide cages: which pnictogen is best?","New Journal of Chemistry","2019","43","36","14305","","10.1039/C9NJ03648B","","","0.71073","MoKα","","0.0177","0.0158","","","0.038","0.0385","","","","","","1.076","","","","has coordinates","224940","2020-10-21","18:00:00",""
"7058764","12.099","0.003","17.373","0.006","20.13","0.006","90","","92.231","0.011","90","","4228","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C192 H144 N24 O36 -","12","3","","Ribeiro, Nádia; Galvão, Adelino M.; Gomes, Clara S. B.; Ramos, Helena; Pinheiro, Rute; Saraiva, Lucilia; Ntungwee, Epole; Isca, Vera M.S.; Rijo, Patrícia; Cavaco, Isabel; Ramilo-Gomes, Filipa; Guedes, Rita Cardoso; Pessoa, João Costa; Correia, Isabel","Naphthoylhydrazones: coordination to metal ions and biological screening","New Journal of Chemistry","2019","","","","","10.1039/C9NJ01816F","","x-ray","0.71073","MoKα","","0.1746","0.067","","","0.1754","0.2128","","","","","","0.922","","","","has coordinates","217604","2020-10-21","18:00:00",""
"7058765","16.587","0.003","14.542","0.003","27.641","0.006","90","","98.26","0.03","90","","6598","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl2 Dy2 N8 O19 Zn2 -","- C65 H64 Cl2 Dy2 N8 O19 Zn2 -","- C260 H256 Cl8 Dy8 N32 O76 Zn8 -","4","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhang, Yi-Quan; Li, Miao; Zhu, Dao-Ben","Both magnetic relaxation and luminescence of Zn2Dy2 cluster complexes regulated by the bis-imine chain in Schiff base ligands","New Journal of Chemistry","2019","43","36","14502","","10.1039/C9NJ03659H","","","0.71073","MoKα","","0.0583","0.0519","","","0.1197","0.1233","","","","","","1.148","","","","has coordinates","224939","2020-10-21","18:00:00",""
"7058766","16.824","0.003","14.557","0.003","25.915","0.005","90","","98.25","0.03","90","","6281","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 Cl2 Dy2 N8 O16 Zn2 -","- C60 H48 Cl2 Dy2 N8 O16 Zn2 -","- C240 H192 Cl8 Dy8 N32 O64 Zn8 -","4","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhang, Yi-Quan; Li, Miao; Zhu, Dao-Ben","Both magnetic relaxation and luminescence of Zn2Dy2 cluster complexes regulated by the bis-imine chain in Schiff base ligands","New Journal of Chemistry","2019","43","36","14502","","10.1039/C9NJ03659H","","","0.71073","MoKα","","0.0595","0.0552","","","0.1724","0.1775","","","","","","1.179","","","","has coordinates","224939","2020-10-21","18:00:00",""
"7058767","16.6016","0.0004","24.2609","0.0006","6.07906","0.00011","90","","90","","90","","2448.46","0.1","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H24 F I N4 O2 S -","- C26 H24 F I N4 O2 S -","- C104 H96 F4 I4 N16 O8 S4 -","4","1","","Re He Man, Xi Jia Ai Ti; Liu, Yong Chun; Li, Xiao Xiao; Zhao, Zhi Gang","Highly N2-selective allylation of NH-1,2,3-triazoles with allenamides mediated by N-iodosuccinimide","New Journal of Chemistry","2019","43","37","14739","","10.1039/C9NJ03014J","","x-ray","1.54184","CuKα","","0.0588","0.0575","","","0.1498","0.1522","","","","","","1.036","","","","has coordinates","224700","2020-10-21","18:00:00",""
"7058768","8.2047","0.0002","15.2729","0.0003","13.059","0.0003","90","","92.9933","0.0008","90","","1634.18","0.06","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O S -","- C22 H16 O S -","- C88 H64 O4 S4 -","4","1","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.71069","MoKα","","0.0404","0.0357","","","0.0966","0.0993","","","","","","1.083","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058769","9.941","0.002","11.2","0.002","17.991","0.004","73.943","0.008","87.143","0.009","66.842","0.007","1765.9","0.6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 S Te -","- C22 H16 S Te -","- C88 H64 S4 Te4 -","4","2","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.7107","MoKα","","0.0368","0.031","","","0.0608","0.063","","","","","","1.176","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058770","5.9551","0.0014","16.121","0.004","17.821","0.004","90","","90","","90","","1710.9","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 S Se -","- C22 H16 S Se -","- C88 H64 S4 Se4 -","4","1","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.7107","MoKα","","0.0233","0.0223","","","0.0536","0.0542","","","","","","1.061","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058771","9.529","0.004","10.002","0.005","11.385","0.005","91.713","0.001","113.071","0.006","117.707","0.005","853.3","0.7","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O Te -","- C22 H16 O Te -","- C44 H32 O2 Te2 -","2","1","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.71075","MoKα","","0.0287","0.0284","","","0.0928","0.0931","","","","","","1.158","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058772","8.1621","0.0001","15.639","0.0003","13.0768","0.0003","90","","92.5953","0.0007","90","","1667.5","0.05","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O Se -","- C22 H16 O Se -","- C88 H64 O4 Se4 -","4","1","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.71069","MoKα","","0.0437","0.0379","","","0.113","0.1213","","","","","","1.203","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058773","10.0676","0.0004","11.2431","0.0004","18.051","0.0008","73.895","0.001","86.942","0.002","67.067","0.001","1804.41","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 Se Te -","- C22 H16 Se Te -","- C88 H64 Se4 Te4 -","4","2","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.71073","MoKα","","0.0234","0.0215","","","0.0516","0.0527","","","","","","1.327","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058774","5.7184","0.0004","8.2861","0.001","9.6182","0.0007","100.379","0.008","103.018","0.006","92.979","0.008","434.72","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 F2 N4 O6 -","- C4 H6 F2 N4 O6 -","- C8 H12 F4 N8 O12 -","2","1","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0387","0.0345","","","0.0858","0.0893","","","","","","1.069","","","","has coordinates","224986","2020-10-21","18:00:00",""
"7058775","12.1852","0.0008","7.0366","0.0003","7.5024","0.0005","90","","90","","90","","643.27","0.07","101","2","101","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H6 Cl F2 N O4 -","- C3 H6 Cl F2 N O4 -","- C12 H24 Cl4 F8 N4 O16 -","4","0.5","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0813","0.0781","","","0.1893","0.1904","","","","","","1.147","","","","has coordinates,has disorder","224986","2020-10-21","18:00:00",""
"7058776","5.5333","0.0008","6.1726","0.0009","9.2437","0.0016","91.249","0.013","106.658","0.014","92.337","0.012","302.03","0.08","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 F2 N2 O3 -","- C3 H6 F2 N2 O3 -","- C6 H12 F4 N4 O6 -","2","1","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0467","0.0383","","","0.0909","0.0985","","","","","","1.123","","","","has coordinates","224986","2020-10-21","18:00:00",""
"7058777","10.334","0.007","9.277","0.006","11.237","0.007","90","","90","","90","","1077.3","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H6 Cl F2 N -","- C3 H6 Cl F2 N -","- C24 H48 Cl8 F16 N8 -","8","1","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0453","0.0325","","","0.0765","0.0826","","","","","","1.069","","","","has coordinates","224986","2020-10-21","18:00:00",""
"7058778","6.042","0.005","9","0.008","13.277","0.011","90","","90","","90","","722","1.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H6 F2 N4 O4 -","- C3 H6 F2 N4 O4 -","- C12 H24 F8 N16 O16 -","4","0.5","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0406","0.0361","","","0.0911","0.0948","","","","","","1.061","","","","has coordinates","224986","2020-10-21","18:00:00",""
"7058779","29.035","0.003","20.1894","0.0009","7.8421","0.0005","90","","90","","90","","4597","0.6","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H10 N O7 V -","- C9 H10 N O7 V -","- C144 H160 N16 O112 V16 -","16","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Drew, Michael G. B.; Jangra, Nancy; Maurya, Mannar R.; Kundu, Mousumi; Sil, Parames C.; Chakrabarti, Syamal","Synthesis, crystal structure, DFT calculations, protein interaction, anticancer potential and bromoperoxidase mimicking activity of oxidoalkoxidovanadium(v) complexes","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02471A","","","0.71073","MoKα","","0.0283","0.026","","","0.0641","0.0655","","","","","","1.071","","","","has coordinates","217815","2020-10-21","18:00:00",""
"7058780","22.236","0.008","30.525","0.01","7.549","0.003","90","","90","","90","","5124","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H12 N O7 V -","- C10 H12 N O7 V -","- C160 H192 N16 O112 V16 -","16","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Drew, Michael G. B.; Jangra, Nancy; Maurya, Mannar R.; Kundu, Mousumi; Sil, Parames C.; Chakrabarti, Syamal","Synthesis, crystal structure, DFT calculations, protein interaction, anticancer potential and bromoperoxidase mimicking activity of oxidoalkoxidovanadium(v) complexes","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02471A","","","0.71073","MoKα","","0.0559","0.0417","","","0.0837","0.0896","","","","","","1.028","","","","has coordinates","217815","2020-10-21","18:00:00",""
"7058781","8.7877","0.0006","8.7877","0.0006","24.203","0.003","90","","90","","90","","1869","0.3","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H16 Cl2 N2 Zn -","- C20 H16 Cl2 N2 Zn -","- C80 H64 Cl8 N8 Zn4 -","4","0.5","","Ma, Xiaofan; Kong, Weili; Abudoureheman, Maierhaba; Zhang, Jun; Xuan, Xiaopeng","A homo-chiral helical coordination polymer constructed from an achiral ligand with excellent photo-physical properties and cell imaging application","New Journal of Chemistry","2019","43","37","15023","","10.1039/C9NJ03791H","","x-ray","0.71073","MoKα","","0.0245","0.0226","","","0.0575","0.0583","","","","","","1.11","","","","has coordinates","224699","2020-10-21","18:00:00",""
"7058782","15.1193","0.0016","31.626","0.004","15.4815","0.0017","90","","90.221","0.005","90","","7402.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H118 Cl2 Cu2 O4 P2 -","- C74 H100 Cl2 Cu2 O4 P2 -","- C296 H400 Cl8 Cu8 O16 P8 -","4","2","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0867","0.0698","","","0.1781","0.1878","","","","","","1.048","","","","has coordinates","224783","2020-10-21","18:00:00",""
"7058783","13.244","0.005","20.552","0.005","25.657","0.005","90","","94.232","0.013","90","","6965","3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 N28 O12 -","- C58 H72 N28 O12 -","- C232 H288 N112 O48 -","4","0.5","","Xiao, Zhiyou; Zhou, Yang; Xu, Weitao; Prior, Timothy J.; Bian, Bing; Redshaw, Carl; Tao, Zhu; Xiao, Xin","Study of the host‒guest interaction between N,N′-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine and the cucuribit[n]urils (n = 6, 7)","New Journal of Chemistry","2019","43","37","14938","","10.1039/C9NJ03254A","","","0.71073","MoKα","","0.1058","0.065","","","0.1784","0.1983","","","","","","1.064","","","","has coordinates","224697","2020-10-21","18:00:00",""
"7058784","7.9368","0.0002","14.9436","0.0003","19.6279","0.0004","90","","94.485","0.002","90","","2320.83","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 O18 Tb2 -","- C15 H29 O18 Tb2 -","- C60 H116 O72 Tb8 -","4","0.5","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0337","0.0323","","","0.086","0.0873","","","","","","1.077","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058785","8.0028","0.0005","15.0146","0.0009","19.6729","0.0012","90","","93.991","0.002","90","","2358.1","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 O18 Sm2 -","- C15 H30 O18 Sm2 -","- C60 H120 O72 Sm8 -","4","0.5","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0298","0.0281","","","0.0683","0.0694","","","","","","1.155","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058786","7.9832","0.0001","15.0012","0.0003","19.6694","0.0004","90","","94.119","0.002","90","","2349.48","0.07","293","","293","","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 Eu2 O14 -","- C15 H22 Eu2 O14 -","- C60 H88 Eu8 O56 -","4","0.5","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","x-ray","0.71073","MoKα","","0.0363","0.0354","","","0.095","0.0955","","","","","","1.009","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058787","8.7718","0.0007","14.1478","0.0011","23.0016","0.0019","90","","90","","90","","2854.5","0.4","297","2","297.25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Gd2 O16 -","- C15 H26 Gd2 O16 -","- C60 H104 Gd8 O64 -","4","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0699","0.0545","","","0.1446","0.1526","","","","","","1.052","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058788","7.9593","0.0002","14.9638","0.0003","19.6391","0.0004","90","","94.266","0.002","90","","2332.56","0.09","293","2","293","2","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C7.5 H15 Gd O9 -","- C7.5 H15 Gd O9 -","- C60 H120 Gd8 O72 -","8","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","x-ray","0.71073","MoKα","","0.0459","0.0447","","","0.1157","0.1162","","","","","","1.295","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058789","8.768","0.003","14.156","0.004","22.898","0.008","90","","90","","90","","2842.1","1.6","300","2","299.86","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Eu2 O16 -","- C15 H26 Eu2 O16 -","- C60 H104 Eu8 O64 -","4","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0536","0.048","","","0.1292","0.1341","","","","","","1.056","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058790","13.7102","0.0012","13.6658","0.0012","15.8149","0.0014","90","","114.841","0.002","90","","2688.9","0.4","302","2","302.27","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Dy2 N O15 -","- C18 H29 Dy2 N O15 -","- C72 H116 Dy8 N4 O60 -","4","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.035","0.0292","","","0.0878","0.0925","","","","","","1.077","","","","has coordinates,has disorder","224941","2020-10-21","18:00:00",""
"7058791","13.7","0.006","13.662","0.006","15.835","0.007","90","","114.812","0.01","90","","2690","2","302","2","302.27","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 N O15 Pr2 -","- C18 H29 N O15 Pr2 -","- C72 H116 N4 O60 Pr8 -","4","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0236","0.0207","","","0.0514","0.0532","","","","","","1.133","","","","has coordinates,has disorder","224941","2020-10-21","18:00:00",""
"7058792","9.7332","0.001","12.2332","0.0012","19.732","0.002","87.425","0.003","79.918","0.003","70.531","0.003","2180.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","EuFtpyttfa3","","","- C43 H25 Eu F9 N3 O7 S3 -","- C42.996 H24.997 Eu F9 N3 O7 S2.999 -","- C85.992 H49.994 Eu2 F18 N6 O14 S5.998 -","2","1","","Abbas, Zafar; Dasari, Srikanth; Beltrán-Leiva, María J.; Cantero-López, Plinio; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Butcher, Ray J.; Patra, Ashis K.","Luminescent europium(iii) and terbium(iii) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways","New Journal of Chemistry","2019","43","38","15139","","10.1039/C9NJ02838B","","","0.71073","MoKα","","0.1401","0.0695","","","0.1381","0.1618","","","","","","1.027","","","","has coordinates,has disorder","224985","2020-10-21","18:00:00",""
"7058793","9.8","0.001","12.3863","0.0012","19.76","0.002","88.046","0.002","79.892","0.002","69.878","0.002","2216.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Eustpyttfa3","","","- C43 H25 Eu F9 N3 O6 S4 -","- C43 H25 Eu F9 N3 O6 S4 -","- C86 H50 Eu2 F18 N6 O12 S8 -","2","1","","Abbas, Zafar; Dasari, Srikanth; Beltrán-Leiva, María J.; Cantero-López, Plinio; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Butcher, Ray J.; Patra, Ashis K.","Luminescent europium(iii) and terbium(iii) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways","New Journal of Chemistry","2019","43","38","15139","","10.1039/C9NJ02838B","","","0.71073","MoKα","","0.127","0.0796","","","0.1814","0.2065","","","","","","1.054","","","","has coordinates,has disorder","224985","2020-10-21","18:00:00",""
"7058794","9.863","0.0006","12.2319","0.0007","19.6295","0.0012","87.955","0.001","80.144","0.002","69.849","0.001","2189.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tbstpyttfa3","","","- C43 H25 F9 N3 O6 S4 Tb -","- C43 H25 F9 N3 O6 S4 Tb -","- C86 H50 F18 N6 O12 S8 Tb2 -","2","1","","Abbas, Zafar; Dasari, Srikanth; Beltrán-Leiva, María J.; Cantero-López, Plinio; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Butcher, Ray J.; Patra, Ashis K.","Luminescent europium(iii) and terbium(iii) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways","New Journal of Chemistry","2019","43","38","15139","","10.1039/C9NJ02838B","","","0.71073","MoKα","","0.0627","0.052","","","0.1323","0.1397","","","","","","1.047","","","","has coordinates,has disorder","224985","2020-10-21","18:00:00",""
"7058795","9.8018","0.0007","12.1508","0.0009","19.6217","0.0014","87.327","0.002","79.983","0.002","70.536","0.002","2169.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","TbFtpyttfa3","","","- C43 H25 F9 N3 O7 S3 Tb -","- C43.004 H25.003 F9 N3 O7 S3.001 Tb -","- C86.008 H50.006 F18 N6 O14 S6.002 Tb2 -","2","1","","Abbas, Zafar; Dasari, Srikanth; Beltrán-Leiva, María J.; Cantero-López, Plinio; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Butcher, Ray J.; Patra, Ashis K.","Luminescent europium(iii) and terbium(iii) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways","New Journal of Chemistry","2019","43","38","15139","","10.1039/C9NJ02838B","","","0.71073","MoKα","","0.1436","0.0742","","","0.1617","0.1867","","","","","","1.039","","","","has coordinates,has disorder","224985","2020-10-21","18:00:00",""
"7058796","12.6554","0.0019","8.5028","0.0009","23.058","0.004","90","","101.23","0.012","90","","2433.7","0.6","120","2","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O4 P2 S4 -","- C20 H26 O4 P2 S4 -","- C80 H104 O16 P8 S16 -","4","0.5","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0339","0.0268","","","0.0706","0.0743","","","","","","1.051","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058797","10.4186","0.0013","10.5778","0.0011","12.5703","0.0015","71.9","0.009","67.807","0.009","82.881","0.009","1219.2","0.3","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 O4 P2 S4 -","- C20 H26 O4 P2 S4 -","- C40 H52 O8 P4 S8 -","2","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0745","0.0681","","","0.178","0.1934","","","","","","1.066","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058798","6.6103","0.0015","7.7451","0.0011","20.145","0.004","90","","94.289","0.017","90","","1028.5","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 O3 P S -","- C9 H11 O3 P S -","- C36 H44 O12 P4 S4 -","4","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0971","0.0848","","","0.2239","0.2384","","","","","","1.033","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058799","8.5551","0.0006","10.9717","0.0008","13.0957","0.001","113.352","0.007","104.434","0.007","93.127","0.006","1076.53","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 O4 P2 S3 -","- C18 H22 O4 P2 S3 -","- C36 H44 O8 P4 S6 -","2","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.1288","0.0641","","","0.1345","0.18","","","","","","1.029","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058800","7.2217","0.0005","15.7169","0.0006","33.5977","0.0017","90","","92.598","0.005","90","","3809.5","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 P2 S3 -","- C16 H18 O4 P2 S3 -","- C128 H144 O32 P16 S24 -","8","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.094","0.0528","","","0.1106","0.1269","","","","","","1.024","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058801","6.8942","0.0008","9.3182","0.0011","19.921","0.003","95.844","0.01","90.407","0.01","93.486","0.01","1270.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 O6 P2 S4 -","- C20 H24 O6 P2 S4 -","- C40 H48 O12 P4 S8 -","2","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0689","0.0544","","","0.1306","0.1467","","","","","","1.049","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058802","12.3171","0.0012","9.1385","0.0005","21.439","0.002","90","","96.512","0.008","90","","2397.6","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 P2 S4 -","- C19 H24 O4 P2 S4 -","- C76 H96 O16 P8 S16 -","4","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0276","0.0253","","","0.067","0.0682","","","","","","1.067","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058803","20.284","0.006","21.511","0.006","8.717","0.004","90","","90","","90","","3803","2","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 O4 P2 S3 -","- C16 H18 O4 P2 S3 -","- C128 H144 O32 P16 S24 -","8","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0827","0.0535","","","0.1138","0.1282","","","","","","1.052","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058804","11.288","0.0018","18.3863","0.0013","12.2511","0.0011","90","","112.627","0.013","90","","2346.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O4 P2 S3 -","- C19 H24 O4 P2 S3 -","- C76 H96 O16 P8 S12 -","4","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.1286","0.061","","","0.133","0.1804","","","","","","1.067","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058805","14.6528","0.0005","9.1347","0.0003","17.8598","0.0006","90","","108.073","0.004","90","","2272.57","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H24 O4 P2 S3 -","- C19 H24 O4 P2 S3 -","- C76 H96 O16 P8 S12 -","4","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0659","0.0519","","","0.1213","0.133","","","","","","1.051","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058806","8.7882","0.0011","8.8878","0.001","14.12","0.002","73.295","0.011","75.044","0.011","81.888","0.009","1017.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 O4 P2 S3 -","- C18 H22 O4 P2 S3 -","- C36 H44 O8 P4 S6 -","2","1","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0948","0.0614","","","0.1501","0.1731","","","","","","0.937","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058807","20.284","0.004","21.511","0.006","8.717","0.006","90","","90","","90","","3803","3","120","2","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 O4 P2 S3 -","- C16 H18 O4 P2 S3 -","- C128 H144 O32 P16 S24 -","8","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0731","0.0467","","","0.0973","0.1082","","","","","","1.044","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058808","8.4554","0.0002","13.7942","0.0004","20.8461","0.0005","97.201","0.0014","94.249","0.0015","106.877","0.0014","2292.64","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","[Ru(dgpy)(CO2HPh-tpy)] [(PF6)2]","[{2,6-bis(3,4,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-1(6H)-yl)pyridine}{4-([2,2':6',2''-terpyridin]-4'-yl)benzoic acid}]ruthenium(II) hexafluorophosphate","","- C44 H48 F12 N10 O3 P2 Ru -","- C44 H48 F12 N10 O3 P2 Ru -","- C88 H96 F24 N20 O6 P4 Ru2 -","2","1","","Pal, Amlan K.; Adusumalli, Venkata Nanda Kishor Babu","Panchromatic Ru(ii)-polypyridyl complexes as NIR emitters","New Journal of Chemistry","2019","43","37","14669","","10.1039/C9NJ03644J","","","1.54178","CuKα","","0.0439","0.0433","","","0.1141","0.1146","","","","","","1.0486","","","","has coordinates","224698","2020-10-21","18:00:00",""
"7058809","18.478","0.005","14.872","0.005","33.155","0.005","90","","97.799","0.005","90","","9027","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H56.23 As1.73 Cu8 N18 O85.25 P2 W16.27 -","- C12 H12 As1.727 Cu8 N18 O85.25 P2 W16.273 -","- C48 H48 As6.908 Cu32 N72 O341 P8 W65.092 -","4","1","","Lu, Borong; Li, Shaobin; Zhang, Xiaozhou; Zhang, Deqing; Fan, Linlin; Yan, Eryun; Zhang, Yongjuan; Yu, Liang","A novel polyoxometalate-based metal‒organic nanotube framework templated by twin-Dawson clusters: synthesis, structure and bifunctional electrocatalytic properties","New Journal of Chemistry","2019","43","39","15804","","10.1039/C9NJ02004G","","","0.71069","MoKα","","0.1001","0.0484","","","0.0871","0.1027","","","","","","0.973","","","","has coordinates,has disorder","224786","2020-10-21","18:00:00",""
"7058810","12.065","0.003","8.649","0.002","16.45","0.004","90","","90","","90","","1716.6","0.7","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H10 F6 O2 S2 -","- C17 H10 F6 O2 S2 -","- C68 H40 F24 O8 S8 -","4","0.5","","Fu, Qiu-Ting; Yan, Xiaodong; Li, Tao; Zhang, Xin-Yue; He, Yue; Zhang, Wen-Da; Liu, Yong; Li, Yunxing; Gu, Zhi-Guo","Diarylethene-based conjugated polymer networks for ultrafast photochromic films","New Journal of Chemistry","2019","43","39","15797","","10.1039/C9NJ02596K","","","0.71073","MoKα","","0.062","0.0352","","","0.072","0.0823","","","","","","1.034","","","","has coordinates,has disorder","224784","2020-10-21","18:00:00",""
"7058811","39.4752","0.0011","9.6754","0.0003","28.3165","0.0009","90","","99.622","0.003","90","","10663","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H52 F6 N2 O0.5 S2 -","- C67.003 H48 F6.006 N2 S2 -","- C536.024 H384 F48.048 N16 S16 -","8","1","","Fu, Qiu-Ting; Yan, Xiaodong; Li, Tao; Zhang, Xin-Yue; He, Yue; Zhang, Wen-Da; Liu, Yong; Li, Yunxing; Gu, Zhi-Guo","Diarylethene-based conjugated polymer networks for ultrafast photochromic films","New Journal of Chemistry","2019","43","39","15797","","10.1039/C9NJ02596K","","","0.71073","MoKα","","0.0708","0.0531","","","0.1526","0.1623","","","","","","1.079","","","","has coordinates,has disorder","224784","2020-10-21","18:00:00",""
"7058812","11.8921","0.0013","22.114","0.003","13.2761","0.0015","90","","115.138","0.005","90","","3160.7","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 N3 O -","- C35 H45 N3 O -","- C140 H180 N12 O4 -","4","1","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.1151","0.0549","","","0.1135","0.138","","","","","","1.023","","","","has coordinates","224785","2020-10-21","18:00:00",""
"7058813","9.7165","0.0003","11.7105","0.0004","14.6358","0.0005","87.1015","0.0012","77.8389","0.0011","73.5013","0.0011","1560.86","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N2 O3 P2 Pt -","- C28 H46 N2 O3 P2 Pt -","- C56 H92 N4 O6 P4 Pt2 -","2","1","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.0223","0.018","","","0.0386","0.0404","","","","","","1.1","","","","has coordinates","224785","2020-10-21","18:00:00",""
"7058814","8.6581","0.0009","17.404","0.002","22.735","0.003","90","","90","","90","","3425.8","0.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 N2 O2 P2 Pt -","- C36 H46 N2 O2 P2 Pt -","- C144 H184 N8 O8 P8 Pt4 -","4","1","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.053","0.0334","","","0.0527","0.0575","","","","","","1.051","","","","has coordinates,has disorder","224785","2020-10-21","18:00:00",""
"7058815","8.6475","0.0003","17.3751","0.0007","22.7043","0.001","90","","90","","90","","3411.3","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 N2 O2 P2 Pt -","- C36 H45.448 N2 O2 P2 Pt -","- C144 H181.792 N8 O8 P8 Pt4 -","4","1","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.0514","0.0317","","","0.047","0.0518","","","","","","1.066","","","","has coordinates,has disorder","224785","2020-10-21","18:00:00",""
"7058816","20.3247","0.0006","10.1709","0.0003","23.0532","0.0006","90","","90","","90","","4765.6","0.2","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H24 F4 N2 O2 P2 Pt -","- C20 H24 F4 N2 O2 P2 Pt -","- C160 H192 F32 N16 O16 P16 Pt8 -","8","2","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.0281","0.0223","","","0.0491","0.0513","","","","","","1.081","","","","has coordinates","224785","2020-10-21","18:00:00",""
"7058817","10.0393","0.0012","9.4153","0.0011","21.602","0.003","90","","95.464","0.0013","90","","2032.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F3 K2 O4 P Sn -","- F3 K2 O4 P Sn -","- F36 K24 O48 P12 Sn12 -","12","3","","Hu, Shuaishuai; Su, Zhi","Two new tin(iv)-containing phosphate fluorides with two types of Sn(iv)‒P‒O‒F frameworks and short cutoff edges","New Journal of Chemistry","2019","43","41","16127","","10.1039/C9NJ04424H","","","0.71073","MoKα","","0.0489","0.0315","","","0.0549","0.0608","","","","","","0.952","","","","has coordinates","224726","2020-10-21","18:00:00",""
"7058818","8.515","0.003","12.4","0.005","8.403","0.003","90","","99.589","0.004","90","","874.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 K6 O14 P4 Sn -","- F2 K6 O14 P4 Sn -","- F4 K12 O28 P8 Sn2 -","2","0.5","","Hu, Shuaishuai; Su, Zhi","Two new tin(iv)-containing phosphate fluorides with two types of Sn(iv)‒P‒O‒F frameworks and short cutoff edges","New Journal of Chemistry","2019","43","41","16127","","10.1039/C9NJ04424H","","","0.71073","MoKα","","0.0288","0.0245","","","0.061","0.0628","","","","","","1.082","","","","has coordinates","224726","2020-10-21","18:00:00",""
"7058819","16.9966","0.0011","23.4741","0.0015","11.6818","0.0006","90","","96.5236","0.0013","90","","4630.6","0.5","155.15","","155.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B2 F8 N9 O Re6 Se8 -","- C18 H24 B2 F8 N9 O Re6 Se8 -","- C72 H96 B8 F32 N36 O4 Re24 Se32 -","4","1","","Mikhaylov, Maksim A.; Mironova, Alina D.; Brylev, Konstantin A.; Sukhikh, Taisiya S.; Eltsov, Ilia V.; Stass, Dmitri V.; Gushchin, Artem L.; Kitamura, Noboru; Sokolov, Maxim N.","Functionalization of [Re6Q8(CN)6]4− clusters by methylation of cyanide ligands","New Journal of Chemistry","2019","43","41","16338","","10.1039/C9NJ02971K","","","0.71073","MoKα","","0.073","0.0491","","","0.1064","0.1154","","","","","","1.11","","","","has coordinates","224734","2020-10-21","18:00:00",""
"7058820","12.0153","0.0004","24.6284","0.0008","18.1398","0.0005","90","","101.353","0.001","90","","5262.9","0.3","298","","298","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 B2 F8 N9 O3 Re6 Te8 -","- C21 H39 B2 F8 N9 O3 Re6 Te8 -","- C84 H156 B8 F32 N36 O12 Re24 Te32 -","4","1","","Mikhaylov, Maksim A.; Mironova, Alina D.; Brylev, Konstantin A.; Sukhikh, Taisiya S.; Eltsov, Ilia V.; Stass, Dmitri V.; Gushchin, Artem L.; Kitamura, Noboru; Sokolov, Maxim N.","Functionalization of [Re6Q8(CN)6]4− clusters by methylation of cyanide ligands","New Journal of Chemistry","2019","43","41","16338","","10.1039/C9NJ02971K","","","0.71073","MoKα","","0.0644","0.0379","","","0.0782","0.0888","","","","","","1.04","","","","has coordinates,has disorder","224734","2020-10-21","18:00:00",""
"7058821","22.8829","0.0013","11.7447","0.0007","16.8444","0.0009","90","","90","","90","","4527","0.4","298","","298","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H24 F6 N8 O6 Re6 S10 -","- C18 H24 F6 N8 O6 Re6 S10 -","- C72 H96 F24 N32 O24 Re24 S40 -","4","0.5","","Mikhaylov, Maksim A.; Mironova, Alina D.; Brylev, Konstantin A.; Sukhikh, Taisiya S.; Eltsov, Ilia V.; Stass, Dmitri V.; Gushchin, Artem L.; Kitamura, Noboru; Sokolov, Maxim N.","Functionalization of [Re6Q8(CN)6]4− clusters by methylation of cyanide ligands","New Journal of Chemistry","2019","43","41","16338","","10.1039/C9NJ02971K","","","0.71073","MoKα","","0.0837","0.0678","","","0.1559","0.1653","","","","","","1.241","","","","has coordinates","224734","2020-10-21","18:00:00",""
"7058822","18.847","0.005","10.756","0.003","7.0728","0.0018","90","","90","","90","","1433.8","0.7","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,6-Dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine","","- C6 N6 Se -","- C6 N6 Se -","- C48 N48 Se8 -","8","1","","Semenov, Nikolay A.; Radiush, Ekaterina A.; Chulanova, Elena A.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kadilenko, Evgeny M.; Bagryanskaya, Irina Yu.; Irtegova, Irina G.; Bogomyakov, Artem S.; Shundrin, Leonid A.; Gritsan, Nina P.; Zibarev, Andrey V.","Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts","New Journal of Chemistry","2019","43","41","16331","","10.1039/C9NJ04069B","","","0.71075","MoKα","","0.0265","0.021","","","0.0481","0.0489","","","","","","0.958","","","","has coordinates","224730","2020-10-21","18:00:00",""
"7058823","12.0108","0.0005","19.0336","0.0008","10.8353","0.0004","90","","105.018","0.002","90","","2392.44","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","potassium 5,6-dicyano-1,2,5-selenadiazolo[3,4-b]pyrazinidile, complex with 18-crown-6","","- C18 H24 K N6 O6 Se -","- C18 H24 K N6 O6 Se -","- C72 H96 K4 N24 O24 Se4 -","4","1","","Semenov, Nikolay A.; Radiush, Ekaterina A.; Chulanova, Elena A.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kadilenko, Evgeny M.; Bagryanskaya, Irina Yu.; Irtegova, Irina G.; Bogomyakov, Artem S.; Shundrin, Leonid A.; Gritsan, Nina P.; Zibarev, Andrey V.","Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts","New Journal of Chemistry","2019","43","41","16331","","10.1039/C9NJ04069B","","","0.71073","MoKα","","0.0917","0.0466","","","0.1053","0.1262","","","","","","1.012","","","","has coordinates","224730","2020-10-21","18:00:00",""
"7058824","8.7796","0.0007","14.7106","0.001","22.4551","0.0019","90","","90.426","0.003","90","","2900.1","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 5,6-dicyano-1,2,5-selenadiazolo[3,4-b]pyrazinidile, complex with 18-crown-6 and thf","","- C22 H32 N6 Na O7 Se -","- C22 H32 N6 Na O7 Se -","- C88 H128 N24 Na4 O28 Se4 -","4","1","","Semenov, Nikolay A.; Radiush, Ekaterina A.; Chulanova, Elena A.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kadilenko, Evgeny M.; Bagryanskaya, Irina Yu.; Irtegova, Irina G.; Bogomyakov, Artem S.; Shundrin, Leonid A.; Gritsan, Nina P.; Zibarev, Andrey V.","Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts","New Journal of Chemistry","2019","43","41","16331","","10.1039/C9NJ04069B","","","0.71073","MoKα","","0.0681","0.0366","","","0.0801","0.0925","","","","","","1.043","","","","has coordinates,has disorder","224730","2020-10-21","18:00:00",""
"7058825","12.3642","0.0007","9.2915","0.0005","24.442","0.0015","90","","92.661","0.003","90","","2804.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","potassium 5,6-dicyano-1,2,5-selenadiazolo[3,4-b]pyrazinidile, complex with 18-crown-6 and thf","","- C22 H32 K N6 O7 Se -","- C22 H32 K N6 O7 Se -","- C88 H128 K4 N24 O28 Se4 -","4","1","","Semenov, Nikolay A.; Radiush, Ekaterina A.; Chulanova, Elena A.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kadilenko, Evgeny M.; Bagryanskaya, Irina Yu.; Irtegova, Irina G.; Bogomyakov, Artem S.; Shundrin, Leonid A.; Gritsan, Nina P.; Zibarev, Andrey V.","Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts","New Journal of Chemistry","2019","43","41","16331","","10.1039/C9NJ04069B","","","0.71073","MoKα","","0.1223","0.0486","","","0.1068","0.1297","","","","","","1.029","","","","has coordinates","224730","2020-10-21","18:00:00",""
"7058826","24.1643","0.001","25.1915","0.0011","29.7014","0.0012","83.172","0.004","71.695","0.004","71.698","0.004","16292.9","1.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C320 H448 Cd Eu2 N32 S32 -","- C320 H448 Cd Eu2 N32 S32 -","- C640 H896 Cd2 Eu4 N64 S64 -","2","1","","Lu, Guang; Kong, Xia; Wang, Hailong; Chen, Yuxiang; Wei, Chuangyu; Chen, Yanli; Jiang, Jianzhuang","A sandwich-type tetrakis(phthalocyaninato) europium‒cadmium quadruple-decker complex: structural, spectroscopic, OFET, and gas sensing properties","New Journal of Chemistry","2019","43","39","15763","","10.1039/C9NJ03342D","","","1.54178","CuKα","","0.1612","0.0885","","","0.217","0.2585","","","","","","0.986","","","","has coordinates","224787","2020-10-21","18:00:00",""
"7058827","8.438","0.0002","10.627","0.0003","11.21","0.0003","76.372","0.001","87.981","0.002","73.18","0.002","934.53","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2FCPA, Fluorocytosine, 5-FC, 5-Fluorocytosine","5-Fluorocytosine 5-Fluorocytosinium Picrate","","- C14 H11 F2 N9 O9 -","- C14 H11 F2 N9 O9 -","- C28 H22 F4 N18 O18 -","2","1","","Souza, Matheus S.; Diniz, Luan F.; Alvarez, Natalia; da Silva, Cecília C. P.; Ellena, Javier","Supramolecular synthesis and characterization of crystalline solids obtained from the reaction of 5-fluorocytosine with nitro compounds","New Journal of Chemistry","2019","43","40","15924","","10.1039/C9NJ03329G","","","0.71073","MoKα","","0.0711","0.0497","","","0.1203","0.1279","","","","","","0.894","","","","has coordinates","224869","2020-10-21","18:00:00",""
"7058828","21.337","0.003","5.4905","0.0009","12.445","0.002","90","","103.196","0.003","90","","1419.4","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","5-FC, 5-Fluorocytosine, Fluorocytosine, FCDNS","5-Fluorocytosinium 3,5-dinitrosalicylate monohydrate","","- C11 H10 F N5 O9 -","- C11 H10 F N5 O9 -","- C44 H40 F4 N20 O36 -","4","1","","Souza, Matheus S.; Diniz, Luan F.; Alvarez, Natalia; da Silva, Cecília C. P.; Ellena, Javier","Supramolecular synthesis and characterization of crystalline solids obtained from the reaction of 5-fluorocytosine with nitro compounds","New Journal of Chemistry","2019","43","40","15924","","10.1039/C9NJ03329G","","","0.71073","MoKα","","0.0333","0.0306","","","0.0808","0.0832","","","","","","1.07","","","","has coordinates","224869","2020-10-21","18:00:00",""
"7058829","19.1422","0.0013","8.1961","0.0005","19.5225","0.0014","90","","95.423","0.002","90","","3049.2","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N S -","- C41 H33 N S -","- C164 H132 N4 S4 -","4","1","","Khan, Faizal; Ekbote, Anupama; Misra, Rajneesh","Reversible mechanochromism and aggregation induced enhanced emission in phenothiazine substituted tetraphenylethylene","New Journal of Chemistry","2019","43","41","16156","","10.1039/C9NJ03290H","","","0.71073","MoKα","","0.1224","0.0651","","","0.1057","0.122","","","","","","1.033","","","","has coordinates","224724","2020-10-21","18:00:00",""
"7058830","9.1768","0.0003","12.5169","0.0004","12.873","0.0004","66.876","0.002","80.97","0.002","78.661","0.002","1328.09","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H15 Cd3 N6 O13 -","- C27 H15 Cd3 N6 O13 -","- C54 H30 Cd6 N12 O26 -","2","1","","Zhang, Jinfang; Jia, Wen; Wu, Junjie; Tang, Guodong; Zhang, Chi","Two mixed-ligand Cd(ii)‒organic frameworks with unique topologies: selective luminescence sensing of TNP and Cu2+ ions with recyclable performances","New Journal of Chemistry","2019","43","40","16078","","10.1039/C9NJ03551F","","","0.71073","MoKα","","0.0641","0.0401","","","0.0827","0.0907","","","","","","1.051","","","","has coordinates,has disorder","224866","2020-10-21","18:00:00",""
"7058831","29.0421","0.0008","6.7638","0.0002","29.6483","0.0008","90","","114.767","0.001","90","","5288.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 Cd2 N6 O13 -","- C27 H15 Cd2 N6 O13 -","- C216 H120 Cd16 N48 O104 -","8","1","","Zhang, Jinfang; Jia, Wen; Wu, Junjie; Tang, Guodong; Zhang, Chi","Two mixed-ligand Cd(ii)‒organic frameworks with unique topologies: selective luminescence sensing of TNP and Cu2+ ions with recyclable performances","New Journal of Chemistry","2019","43","40","16078","","10.1039/C9NJ03551F","","","0.71073","MoKα","","0.0386","0.0289","","","0.0735","0.0777","","","","","","1.067","","","","has coordinates","224866","2020-10-21","18:00:00",""
"7058832","8.3924","0.0012","11.0752","0.0016","16.47","0.002","97.593","0.005","92.113","0.005","112.088","0.005","1399.8","0.3","291","2","291.06","","","","","","","","","6","P -1","-P 1","2","","","","- C H Cd N O Zn -","- C3.06659 H2.94118 N0.235294 O1.11765 Zn0.235294 -","- C52.132 H50 N4 O19 Zn4 -","17","8.5","","Akhtaruzzaman, Akhtaruzzaman; Das, Pubali; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Islam, Sakhiul; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Two zinc(ii)-based coordination polymers with flexible dicarboxylate and pyridine mixed ligands: effect of π⋯π interactions on electrical activity","New Journal of Chemistry","2019","43","40","16071","","10.1039/C9NJ03986D","","","0.71073","MoKα","","0.1955","0.1615","","","0.5102","0.569","","","","","","2.466","","","","has coordinates,has disorder","224867","2020-10-21","18:00:00",""
"7058833","8.5614","0.0003","9.3895","0.0003","11.0353","0.0003","83.849","0.001","84.682","0.001","81.134","0.001","868.83","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O4 Zn -","- C19 H19 N O4 Zn -","- C38 H38 N2 O8 Zn2 -","2","1","","Akhtaruzzaman, Akhtaruzzaman; Das, Pubali; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Islam, Sakhiul; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Two zinc(ii)-based coordination polymers with flexible dicarboxylate and pyridine mixed ligands: effect of π⋯π interactions on electrical activity","New Journal of Chemistry","2019","43","40","16071","","10.1039/C9NJ03986D","","","0.71073","MoKα","","0.0487","0.0361","","","0.1084","0.1238","","","","","","0.942","","","","has coordinates","224867","2020-10-21","18:00:00",""
"7058834","8.8242","0.0007","10.456","0.0008","11.0688","0.0008","66.252","0.006","70.368","0.006","84.614","0.006","879.44","0.13","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Br2 Cu2 N10 O2 -","- C32 H44 Br2 Cu2 N10 O2 -","- C32 H44 Br2 Cu2 N10 O2 -","1","0.5","","Ghosh, Mrinmoy; Saha, Sandip; Banerjee, Abhijit; Schollmeyer, Dieter; Sarkar, Ananda; Banerjee, Saikat","Azido bridged binuclear copper(ii) Schiff base compound: synthesis, structure and electrical properties","New Journal of Chemistry","2019","43","41","16255","","10.1039/C9NJ02672J","","","0.71073","MoKα","","0.124","0.0727","","","0.192","0.2271","","","","","","0.982","","","","has coordinates","224728","2020-10-21","18:00:00",""
"7058835","28.13","0.006","10.184","0.002","12.882","0.003","90","","90","","90","","3690.4","1.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H46 N2 O6 Sn -","- C42 H46 N2 O6 Sn -","- C168 H184 N8 O24 Sn4 -","4","0.5","","Vinayak, Richa; Nayek, Hari Pada","Selective sensing of a Cu(ii) ion by organotin anchored keto-enamine ligands","New Journal of Chemistry","2019","43","40","16050","","10.1039/C9NJ03204E","","","0.71073","MoKα","","0.0312","0.0264","","","0.0718","0.074","","","","","","1.056","","","","has coordinates","224868","2020-10-21","18:00:00",""
"7058836","34.95","0.003","8.8804","0.0007","19.9476","0.0014","90","","102.196","0.007","90","","6051.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 N O3 Sn -","- C35 H29 N O3 Sn -","- C280 H232 N8 O24 Sn8 -","8","1","","Vinayak, Richa; Nayek, Hari Pada","Selective sensing of a Cu(ii) ion by organotin anchored keto-enamine ligands","New Journal of Chemistry","2019","43","40","16050","","10.1039/C9NJ03204E","","","0.71073","MoKα","","0.0638","0.0431","","","0.0989","0.1101","","","","","","1","","","","has coordinates,has disorder","224868","2020-10-21","18:00:00",""
"7058837","11.4406","0.0003","13.4384","0.0005","17.7025","0.0005","78.369","0.003","74.699","0.002","68.198","0.003","2421.03","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H128 N4 O14 Sn4 -","- C100 H128 N4 O14 Sn4 -","- C100 H128 N4 O14 Sn4 -","1","0.5","","Vinayak, Richa; Nayek, Hari Pada","Selective sensing of a Cu(ii) ion by organotin anchored keto-enamine ligands","New Journal of Chemistry","2019","43","40","16050","","10.1039/C9NJ03204E","","","0.71073","MoKα","","0.0535","0.037","","","0.0766","0.0825","","","","","","1.05","","","","has coordinates,has disorder","224868","2020-10-21","18:00:00",""
"7058838","11.3681","0.0007","14.1597","0.001","15.0368","0.0009","82.533","0.003","76.926","0.003","77.221","0.003","2291.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N6 O -","- C27 H22 N6 O -","- C108 H88 N24 O4 -","4","2","","Borah, Nilotpal; Nayak, Biswajit; Gogoi, Abhijit; Das, Gopal","A benzimidazole-based non-symmetrical tripodal receptor for the ratiometric fluorescence sensing of fluoride ions and solid state recognition of sulfate ions","New Journal of Chemistry","2019","43","42","16497","","10.1039/C9NJ03961A","","","0.71073","MoKα","","0.1078","0.0772","","","0.1916","0.2312","","","","","","0.997","","","","has coordinates","224778","2020-10-21","18:00:00",""
"7058839","12.349","0.004","13.224","0.004","16.924","0.006","99.628","0.012","108.857","0.011","90.12","0.011","2573.9","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N6 O5 S -","- C27 H24 N6 O5 S -","- C108 H96 N24 O20 S4 -","4","2","","Borah, Nilotpal; Nayak, Biswajit; Gogoi, Abhijit; Das, Gopal","A benzimidazole-based non-symmetrical tripodal receptor for the ratiometric fluorescence sensing of fluoride ions and solid state recognition of sulfate ions","New Journal of Chemistry","2019","43","42","16497","","10.1039/C9NJ03961A","","","0.71073","MoKα","","0.2005","0.1529","","","0.3318","0.3544","","","","","","1.8","","","","has coordinates","224778","2020-10-21","18:00:00",""
"7058840","6.9841","0.0004","10.3283","0.0006","15.0301","0.0008","90","","94.578","0.002","90","","1080.72","0.11","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N11 O2 -","- C6 H9 N11 O2 -","- C24 H36 N44 O8 -","4","1","","Zhu, Wangying; Ye, Zhiwen; Dong, Zhen","Nitramino-furazan-functionalized fused high-nitrogen backbones as energetic materials with high detonation performance and good molecular stabilities","New Journal of Chemistry","2019","43","41","16300","","10.1039/C9NJ03636A","","","1.34139","GaKα","","0.0458","0.0432","","","0.1081","0.1099","","","","","","0.993","","","","has coordinates","224733","2020-10-21","18:00:00",""
"7058841","6.3798","0.0004","9.9018","0.0007","26.2299","0.0019","90","","90","","90","","1657","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl0 N13 Na2 O10 -","- C5 H11 N13 Na2 O10 -","- C20 H44 N52 Na8 O40 -","4","1","","Zhu, Wangying; Ye, Zhiwen; Dong, Zhen","Nitramino-furazan-functionalized fused high-nitrogen backbones as energetic materials with high detonation performance and good molecular stabilities","New Journal of Chemistry","2019","43","41","16300","","10.1039/C9NJ03636A","","","1.34139","GaKα","","0.0683","0.0491","","","0.1138","0.1221","","","","","","1.005","","","","has coordinates","224733","2020-10-21","18:00:00",""
"7058842","13.777","0.003","10.069","0.002","20.859","0.004","90","","91.861","0.012","90","","2892","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 N3 -","- C35 H39 N3 -","- C140 H156 N12 -","4","1","","Divya, Thekke Thattariyil; Raghav, Darpan; Rathinasamy, Krishnan; Chakkumkumarath, Lakshmi","Multifunctional fluorescent leucomalachite green derivatives for chemodosimetric detection of Fe3+, specific imaging of lipid droplets and intracellular pH monitoring","New Journal of Chemistry","2019","43","41","16349","","10.1039/C9NJ04267A","","","0.71073","MoKα","","0.2423","0.0785","","","0.2029","0.3058","","","","","","0.915","","","","has coordinates","224722","2020-10-21","18:00:00",""
"7058843","6.8046","0.0005","9.5931","0.0008","14.6934","0.0012","95.313","0.003","102.442","0.002","105.848","0.003","889.23","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C42 H44 N4 O6 -","2","1","","Manna, Chandan Kumar; Gharami, Saswati; Aich, Krishnendu; Patra, Lakshman; Mondal, Tapan K.","Simple fabrication of a carbaldehyde based fluorescent “turn-on” probe for the selective and sole detection of Pd2+: application as test strips","New Journal of Chemistry","2019","43","43","16915","","10.1039/C9NJ04313F","","","0.71073","MoKα","","0.072","0.0495","","","0.1363","0.1586","","","","","","1.042","","","","has coordinates","224765","2020-10-21","18:00:00",""
"7058844","19.6072","0.0006","19.6072","0.0006","24.0094","0.0013","90","","90","","120","","7993.6","0.6","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H36 Co N12 O4 S -","- C36 H36 Co N12 O3.999 S -","- C288 H288 Co8 N96 O31.992 S8 -","8","1.33333","","Shang, Qigao; Zeng, Tianyu; Gao, Ke; Liu, Nannan; Cheng, Qingrong; Liao, Guiying; Pan, Zhiquan; Zhou, Hong","A novel nitrogen heterocyclic ligand-based MOF: synthesis, characterization and photocatalytic properties","New Journal of Chemistry","2019","43","42","16595","","10.1039/C9NJ04371C","","","0.71073","MoKα","","0.1302","0.0685","","","0.1583","0.1943","","","","","","1.089","","","","has coordinates,has disorder","224779","2020-10-21","18:00:00",""
"7058845","15.1992","0.0016","13.4765","0.0011","15.5358","0.0017","90","","103.078","0.011","90","","3099.7","0.6","298","2","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cl3 Cu F N6 O4 -","- C28 H29 Cl2.9999 Cu F N6 O4 -","- C112 H116 Cl11.9996 Cu4 F4 N24 O16 -","4","1","","Kumar, Manish; Kumar, Gyanendra; Dadure, Kanhaiya M.; Masram, Dhanraj T.","Copper(ii) complexes based on levofloxacin and 2N-donor ligands: synthesis, crystal structures and in vitro biological evaluation","New Journal of Chemistry","2019","43","38","15462","","10.1039/C9NJ03178B","","x-ray","0.71073","MoKα","","0.1074","0.0697","","","0.1598","0.179","","","","","","1.077","","","","has coordinates,has disorder","224988","2020-10-21","18:00:00",""
"7058846","12.5234","0.0011","13.0688","0.0014","13.2794","0.0012","101.577","0.008","108.055","0.008","94.122","0.008","2003.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cl3 Cu F N5 O4 -","- C42 H36 Cl3 Cu F N5 O4 -","- C84 H72 Cl6 Cu2 F2 N10 O8 -","2","1","","Kumar, Manish; Kumar, Gyanendra; Dadure, Kanhaiya M.; Masram, Dhanraj T.","Copper(ii) complexes based on levofloxacin and 2N-donor ligands: synthesis, crystal structures and in vitro biological evaluation","New Journal of Chemistry","2019","43","38","15462","","10.1039/C9NJ03178B","","x-ray","0.71073","MoKα","","0.1396","0.0998","","","0.2569","0.2935","","","","","","1.055","","","","has coordinates,has disorder","224988","2020-10-21","18:00:00",""
"7058847","4.526","0.0009","18.489","0.004","19.838","0.004","90","","97.22","0.03","90","","1646.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","difluorinated dithienyl-DPP","2,5-diethyl-3,6-bis(4-fluorothiophen-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C18 H14 F2 N2 O2 S2 -","- C18 H14 F2 N2 O2 S2 -","- C72 H56 F8 N8 O8 S8 -","4","1","","Wang, Xiaohua; Jiang, Bin; Du, Chenchen; Ren, Xiaolei; Duan, Zhiming; Wang, Hongyu","Fluorinated dithienyl-diketopyrrolopyrrole: a new building block for organic optoelectronic materials","New Journal of Chemistry","2019","43","41","16411","","10.1039/C9NJ04060A","","","0.65251","synchrotron","","0.0401","0.0385","","","0.1069","0.1091","","","","","","1.022","","","","has coordinates","224720","2020-10-21","18:00:00",""
"7058848","10.2716","0.001","10.6456","0.0009","12.1344","0.0009","81.817","0.007","70.266","0.008","82.082","0.007","1230.48","0.19","100","0.02","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C28 H23 N5 O3 V -","- C28 H23 N5 O3 V -","- C56 H46 N10 O6 V2 -","2","2","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Mukhopadhyay, Titas Kumar; Acharya, Krishnendu; Ghosh, Sandipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Synthesis, characterization, and cytotoxic and antimicrobial activities of mixed-ligand hydrazone complexes of variable valence VOz+ (z = 2, 3)","New Journal of Chemistry","2019","43","42","16714","","10.1039/C9NJ04171K","","","0.71073","MoKα","","0.0856","0.0621","","","0.1198","0.1349","","","","","","1.006","","","","has coordinates","224782","2020-10-21","18:00:00",""
"7058849","7.8475","0.0005","10.8678","0.0009","14.0113","0.0012","68.768","0.008","77.151","0.007","72.756","0.007","1054.86","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N4 O4 V -","- C24 H19 N4 O4 V -","- C48 H38 N8 O8 V2 -","2","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Mukhopadhyay, Titas Kumar; Acharya, Krishnendu; Ghosh, Sandipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Synthesis, characterization, and cytotoxic and antimicrobial activities of mixed-ligand hydrazone complexes of variable valence VOz+ (z = 2, 3)","New Journal of Chemistry","2019","43","42","16714","","10.1039/C9NJ04171K","","","0.71073","MoKα","","0.0559","0.0441","","","0.0984","0.1041","","","","","","1.012","","","","has coordinates","224782","2020-10-21","18:00:00",""
"7058850","12.6574","0.0004","7.6841","0.0002","22.0915","0.0007","90","","91.06","0.003","90","","2148.27","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl N4 O4 V -","- C24 H18 Cl N4 O4 V -","- C96 H72 Cl4 N16 O16 V4 -","4","1","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Mukhopadhyay, Titas Kumar; Acharya, Krishnendu; Ghosh, Sandipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Synthesis, characterization, and cytotoxic and antimicrobial activities of mixed-ligand hydrazone complexes of variable valence VOz+ (z = 2, 3)","New Journal of Chemistry","2019","43","42","16714","","10.1039/C9NJ04171K","","","0.71073","MoKα","","0.0411","0.0354","","","0.092","0.0967","","","","","","1.051","","","","has coordinates","224782","2020-10-21","18:00:00",""
"7058851","17.0286","0.001","17.0286","0.001","12.7776","0.0015","90","","90","","90","","3705.2","0.5","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C46 H38 O4 -","- C46 H38 O4 -","- C184 H152 O16 -","4","0.5","","Liu, Yong; Yan, Xiaodong; Li, Tao; Zhang, Wen-Da; Fu, Qiu-Ting; Lu, Hui-Shu; Wang, Xuan; Gu, Zhi-Guo","Three-dimensional porphyrin-based covalent organic frameworks with tetrahedral building blocks for single-site catalysis","New Journal of Chemistry","2019","43","43","16907","","10.1039/C9NJ04017J","","","0.71073","MoKα","","0.1928","0.0979","","","0.2256","0.3318","","","","","","1.155","","","","has coordinates,has disorder","224764","2020-10-21","18:00:00",""
"7058852","11.0971","0.0007","17.1236","0.0011","18.6175","0.0011","94.671","0.002","102.879","0.002","94.472","0.002","3420.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H50 N8 O0 -","- C72 H50 N8 -","- C144 H100 N16 -","2","1","","Liu, Yong; Yan, Xiaodong; Li, Tao; Zhang, Wen-Da; Fu, Qiu-Ting; Lu, Hui-Shu; Wang, Xuan; Gu, Zhi-Guo","Three-dimensional porphyrin-based covalent organic frameworks with tetrahedral building blocks for single-site catalysis","New Journal of Chemistry","2019","43","43","16907","","10.1039/C9NJ04017J","","","0.71073","MoKα","","0.1601","0.0797","","","0.1758","0.2135","","","","","","1.056","","","","has coordinates","224764","2020-10-21","18:00:00",""
"7058853","21.821","0.004","25.478","0.005","40.301","0.008","90","","90","","90","","22406","7","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C104 H94 Eu2 N4 O16 -","- C104 H88 Eu2 N4 O16 -","- C832 H704 Eu16 N32 O128 -","8","0.25","","Xu, Yuan-Yi; Sun, Ou; Qi, Yue; Xie, Bo-Yu; Gao, Ting","Enhanced luminescence for detection of small molecules based on doped lanthanide compounds with a dinuclear double-stranded helicate structure","New Journal of Chemistry","2019","43","42","16706","","10.1039/C9NJ04104D","","","0.71073","MoKα","","0.1034","0.0686","","","0.2067","0.2282","","","","","","1.119","","","","has coordinates","224781","2020-10-21","18:00:00",""
"7058854","11.2448","0.0014","10.0674","0.0013","24.394","0.003","90","","93.663","0.002","90","","2755.9","0.6","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H15 N3 Ni O6 -","- C24 H15 N3 Ni O6 -","- C96 H60 N12 Ni4 O24 -","4","1","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A novel 3D Cd-based luminescent coordination polymer for selective sensing of 4-NP and NZF","New Journal of Chemistry","2019","43","43","16853","","10.1039/C9NJ04250D","","","0.71073","MoKα","","0.1241","0.0569","","","0.1174","0.1414","","","","","","0.909","","","","has coordinates,has disorder","224763","2020-10-21","18:00:00",""
"7058855","17.893","0.003","16.511","0.002","21.476","0.004","90","","110.56","0.02","90","","5940.6","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H71 N3 Ni3 O18 -","- C50 H71 N3 Ni3 O18 -","- C200 H284 N12 Ni12 O72 -","4","0.5","","Fiorini, Guillermo; Carrella, Luca; Rentschler, Eva; Alborés, Pablo","Counter-complementarity control of the weak exchange interaction in a bent {Ni(ii)3} complex with a μ-phenoxide-μ-carboxylate double bridge","New Journal of Chemistry","2019","43","41","16218","","10.1039/C9NJ03574E","","","0.71069","MoKα","","0.1219","0.0761","","","0.203","0.2568","","","","","","1.023","","","","has coordinates,has disorder","224718","2020-10-21","18:00:00",""
"7058856","9.252","0.006","10.732","0.007","9.599","0.006","90","","94.16","0.011","90","","950.6","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 -","- C24 H16 N6 -","- C48 H32 N12 -","2","0.5","","Liang, Lili; Miao, Maomao; Liu, Congsen; Zong, Zhihui; Zhang, Jun; Fang, Qiang","Antibacterial and aqueous dual-responsive sensing activities of monomeric complexes with uncoordinated imidazole sites","New Journal of Chemistry","2019","43","42","16691","","10.1039/C9NJ03960K","","","0.71073","MoKα","","0.0898","0.0502","","","0.1075","0.1248","","","","","","0.987","","","","has coordinates","224777","2020-10-21","18:00:00",""
"7058857","7.2364","0.0014","14.349","0.003","21.72","0.004","90","","96.449","0.004","90","","2241","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cd N6 O3 -","- C26 H20 Cd N6 O3 -","- C104 H80 Cd4 N24 O12 -","4","1","","Liang, Lili; Miao, Maomao; Liu, Congsen; Zong, Zhihui; Zhang, Jun; Fang, Qiang","Antibacterial and aqueous dual-responsive sensing activities of monomeric complexes with uncoordinated imidazole sites","New Journal of Chemistry","2019","43","42","16691","","10.1039/C9NJ03960K","","","0.71073","MoKα","","0.115","0.0517","","","0.0972","0.1186","","","","","","0.939","","","","has coordinates","224777","2020-10-21","18:00:00",""
"7058858","14.948","0.01","10.773","0.008","15.691","0.011","90","","98.987","0.012","90","","2496","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N8 Ni O8 -","- C24 H20 N8 Ni O8 -","- C96 H80 N32 Ni4 O32 -","4","1","","Liang, Lili; Miao, Maomao; Liu, Congsen; Zong, Zhihui; Zhang, Jun; Fang, Qiang","Antibacterial and aqueous dual-responsive sensing activities of monomeric complexes with uncoordinated imidazole sites","New Journal of Chemistry","2019","43","42","16691","","10.1039/C9NJ03960K","","","0.71073","MoKα","","0.1189","0.0879","","","0.2225","0.2441","","","","","","1.14","","","","has coordinates","224777","2020-10-21","18:00:00",""
"7058859","7.1558","0.0008","11.4155","0.0013","13.8516","0.0015","70.245","0.002","81.521","0.002","82.789","0.002","1049.8","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Co N6 O3 -","- C25 H18 Co N6 O3 -","- C50 H36 Co2 N12 O6 -","2","1","","Liang, Lili; Miao, Maomao; Liu, Congsen; Zong, Zhihui; Zhang, Jun; Fang, Qiang","Antibacterial and aqueous dual-responsive sensing activities of monomeric complexes with uncoordinated imidazole sites","New Journal of Chemistry","2019","43","42","16691","","10.1039/C9NJ03960K","","","0.71073","MoKα","","0.0881","0.0541","","","0.1204","0.1402","","","","","","0.974","","","","has coordinates","224777","2020-10-21","18:00:00",""
"7058860","11.9049","0.0006","14.4988","0.0006","15.2214","0.0007","93.079","0.002","106.093","0.002","106.858","0.0019","2390.1","0.2","150","2","149.98","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H102 Gd6 N10 O30 -","- C72 H102 Gd6 N10 O30 -","- C72 H102 Gd6 N10 O30 -","1","0.5","","Wang, Wen-Min; Yue, Rong-Xin; Gao, Yu; Wang, Mei-Jiao; Hao, Sha-Sha; Shi, Ying; Kang, Xiao-Min; Wu, Zhi-Lei","Large magnetocaloric effect and remarkable single-molecule-magnet behavior in triangle-assembled LnIII6 clusters","New Journal of Chemistry","2019","43","42","16639","","10.1039/C9NJ03921J","","","0.71073","MoKα","","0.0736","0.042","","","0.0889","0.1027","","","","","","1.036","","","","has coordinates,has disorder","224780","2020-10-21","18:00:00",""
"7058861","11.9121","0.0006","14.5229","0.0006","15.2125","0.0008","93.0144","0.0019","106.282","0.002","106.959","0.0018","2390.3","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H102 Dy6 N10 O30 -","- C72 H102 Dy6 N10 O30 -","- C72 H102 Dy6 N10 O30 -","1","0.5","","Wang, Wen-Min; Yue, Rong-Xin; Gao, Yu; Wang, Mei-Jiao; Hao, Sha-Sha; Shi, Ying; Kang, Xiao-Min; Wu, Zhi-Lei","Large magnetocaloric effect and remarkable single-molecule-magnet behavior in triangle-assembled LnIII6 clusters","New Journal of Chemistry","2019","43","42","16639","","10.1039/C9NJ03921J","","","0.71073","MoKα","","0.0496","0.0325","","","0.0737","0.0806","","","","","","1.012","","","","has coordinates,has disorder","224780","2020-10-21","18:00:00",""
"7058862","12.4862","0.0004","13.9075","0.0005","14.5276","0.0005","73.7","0.003","68.919","0.003","66.43","0.004","2129.73","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 Cl4 Cu2 N8 O2 S2 -","- C36 H43 Cl4 Cu2 N8 O2 S2 -","- C72 H86 Cl8 Cu4 N16 O4 S4 -","2","1","","Gonzalez-Silva, Karen; Rendon-Nava, David; Alvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel","Copper(ii) accelerated azide‒alkyne cycloaddition reaction using mercaptopyridine-based triazole ligands","New Journal of Chemistry","2019","43","42","16538","","10.1039/C9NJ03974K","","x-ray","1.54184","CuKα","","0.0725","0.0562","","","0.1606","0.1732","","","","","","1.069","","","","has coordinates","224776","2020-10-21","18:00:00",""
"7058863","12.4912","0.0012","12.53","0.0011","12.618","0.0015","103.392","0.009","103.411","0.009","109.806","0.009","1700.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72 Bi2 N18 S12 -","- C60 H72 Bi2 N18 S12 -","- C60 H72 Bi2 N18 S12 -","1","0.5","","Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai","Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates","New Journal of Chemistry","2019","43","43","16921","","10.1039/C9NJ04477A","","","0.71073","MoKα","","0.119","0.0774","","","0.1719","0.192","","","","","","0.969","","","","has coordinates,has disorder","224767","2020-10-21","18:00:00",""
"7058864","11.3316","0.0009","15.2459","0.0015","16.1179","0.0014","101.351","0.008","103.308","0.008","104.784","0.008","2521.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Bi N9 S6 -","- C48 H54 Bi N9 S6 -","- C96 H108 Bi2 N18 S12 -","2","1","","Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai","Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates","New Journal of Chemistry","2019","43","43","16921","","10.1039/C9NJ04477A","","","0.71073","MoKα","","0.1715","0.0729","","","0.1619","0.2323","","","","","","0.909","","","","has coordinates,has disorder","224767","2020-10-21","18:00:00",""
"7058865","12.882","0.002","13.7698","0.0014","14.5332","0.0016","106.152","0.009","96.158","0.012","110.401","0.014","2260.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H72 Bi2 Cl6 N12 S12 -","- C84 H72 Bi2 Cl6 N12 S12 -","- C84 H72 Bi2 Cl6 N12 S12 -","1","0.5","","Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai","Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates","New Journal of Chemistry","2019","43","43","16921","","10.1039/C9NJ04477A","","","0.71073","MoKα","","0.1348","0.0905","","","0.1846","0.2058","","","","","","0.994","","","","has coordinates","224767","2020-10-21","18:00:00",""
"7058866","11.2572","0.0008","12.2386","0.0011","32.278","0.002","90","","97.857","0.007","90","","4405.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H66 Bi2 N12 O18 S12 -","- C78 H66 Bi2 N12 O18 S12 -","- C156 H132 Bi4 N24 O36 S24 -","2","0.5","","Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai","Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates","New Journal of Chemistry","2019","43","43","16921","","10.1039/C9NJ04477A","","","0.71073","MoKα","","0.1706","0.0975","","","0.1422","0.1664","","","","","","1.074","","","","has coordinates,has disorder","224767","2020-10-21","18:00:00",""
"7058867","13.8565","0.001","14.7079","0.0011","24.3613","0.0019","90","","103.156","0.002","90","","4834.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Bi2 N6 O6 S12 -","- C96 H94 Bi2 N6 O6 S12 -","- C192 H188 Bi4 N12 O12 S24 -","2","0.5","","Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai","Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates","New Journal of Chemistry","2019","43","43","16921","","10.1039/C9NJ04477A","","","0.71073","MoKα","","0.0687","0.0551","","","0.1372","0.1421","","","","","","1.221","","","","has coordinates,has disorder","224767","2020-10-21","18:00:00",""
"7058868","11.1582","0.0008","12.5194","0.001","16.8066","0.0014","99.065","0.007","101.081","0.007","92.411","0.006","2268.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H73 Bi2 Br6 Cl N12 S12 -","- C84 H73 Bi2 Br6 Cl N12 S12 -","- C84 H73 Bi2 Br6 Cl N12 S12 -","1","0.5","","Anamika, Anamika; Singh, Rajan; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael. G. B.; Singh, Nanhai","Impact of substituents on the crystal structures and anti-leishmanial activity of new homoleptic Bi(iii) dithiocarbamates","New Journal of Chemistry","2019","43","43","16921","","10.1039/C9NJ04477A","","","0.71073","MoKα","","0.1296","0.0895","","","0.1992","0.2222","","","","","","1.061","","","","has coordinates,has disorder","224767","2020-10-21","18:00:00",""
"7058869","10.9589","0.0007","7.4707","0.0004","14.1977","0.0008","90","","99.603","0.006","90","","1146.09","0.12","298","10","298","10","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C52 H60 N4 O6 -","2","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.0522","0.0424","","","0.0895","0.0963","","","","","","1.042","","","","has coordinates","224768","2020-10-21","18:00:00",""
"7058870","8.5213","0.0007","9.9194","0.0006","24.5146","0.0017","90","","90","","90","","2072.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.087","0.0514","","","0.1001","0.1169","","","","","","1.018","","","","has coordinates","224768","2020-10-21","18:00:00",""
"7058871","11.9146","0.0013","6.9435","0.0008","26.361","0.003","90","","91.921","0.01","90","","2179.6","0.4","173","0.15","173","0.15","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H34 N2 O2 -","- C24 H34 N2 O2 -","- C96 H136 N8 O8 -","4","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.0815","0.0629","","","0.157","0.1717","","","","","","1.054","","","","has coordinates,has disorder","224768","2020-10-21","18:00:00",""
"7058872","9.3914","0.0007","13.6642","0.0008","19.2618","0.0009","90","","90","","90","","2471.8","0.3","173","6","173","6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.0782","0.0515","","","0.1071","0.1208","","","","","","1.042","","","","has coordinates","224768","2020-10-21","18:00:00",""
"7058873","7.3836","0.0005","21.3958","0.0014","32.4582","0.0019","90","","94.771","0.005","90","","5109.9","0.6","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H38 N2 O3 -","- C28 H38 N2 O3 -","- C224 H304 N16 O24 -","8","2","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.1026","0.068","","","0.1513","0.1789","","","","","","1.034","","","","has coordinates,has disorder","224768","2020-10-21","18:00:00",""
"7058874","13.1545","0.0004","19.3823","0.0006","13.5266","0.0004","90","","117.621","0.002","90","","3055.76","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","F-F6BsubPc","","","- C24 H6 B F7 N6 -","- C24 H6 B F7 N6 -","- C144 H36 B6 F42 N36 -","6","1.5","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.1858","0.0696","","","0.1533","0.2188","","","","","","1.017","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058875","11.277","0.0002","10.5657","0.0002","19.094","0.0004","90","","95.436","0.001","90","","2264.81","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl-F12BsubPc","","","- C24 B Cl F12 N6 -","- C24 B Cl F12 N6 -","- C96 B4 Cl4 F48 N24 -","4","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0392","0.031","","","0.076","0.0805","","","","","","1.043","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058876","13.4953","0.0004","13.4233","0.0004","23.0059","0.0007","90","","90","","90","","4167.6","0.2","147","2","147","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cl-F6BsubPc","","","- C24 H6 B Cl F6 N6 -","- C24 H6 B Cl F6 N6 -","- C192 H48 B8 Cl8 F48 N48 -","8","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0417","0.0355","","","0.0931","0.0976","","","","","","1.034","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058877","13.4808","0.0007","13.4532","0.0008","23.019","0.0012","90","","90","","90","","4174.7","0.4","149","2","149","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cl-F6BsubPc","","","- C24 H6 B Cl F6 N6 -","- C24 H6 B Cl F6 N6 -","- C192 H48 B8 Cl8 F48 N48 -","8","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.034","0.0294","","","0.0736","0.0771","","","","","","1.04","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058878","13.4684","0.0005","13.4295","0.0005","23.0284","0.0008","90","","90","","90","","4165.2","0.3","147","2","147","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cl-F6BsubPc","","","- C24 H6 B Cl F6 N6 -","- C24 H6 B Cl F6 N6 -","- C192 H48 B8 Cl8 F48 N48 -","8","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0337","0.0312","","","0.0831","0.0856","","","","","","1.038","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058879","11.557","0.0003","22.167","0.0006","26.3618","0.0007","90","","90","","90","","6753.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","F-F12BsubPc","","","- C24 B F13 N6 -","- C24 B F13 N6 -","- C288 B12 F156 N72 -","12","3","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0465","0.0358","","","0.0811","0.0875","","","","","","1.03","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058880","10.3684","0.0003","18.0523","0.0006","11.7948","0.0004","90","","93.385","0.003","90","","2203.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 N6 Zn2 -","- C46 H58 N6 Zn2 -","- C92 H116 N12 Zn4 -","2","0.5","","Das, Suman; Bhattacharjee, Jayeeta; Panda, Tarun K.","An imidazolin-2-iminato ligand organozinc complex as a catalyst for hydroboration of organic nitriles","New Journal of Chemistry","2019","43","43","16812","","10.1039/C9NJ04076E","","","1.54184","CuKα","","0.0551","0.042","","","0.114","0.1287","","","","","","1.069","","","","has coordinates","224766","2020-10-21","18:00:00",""
"7058881","4.387","0.0003","5.6906","0.0003","19.2566","0.0014","86.981","0.005","85.06","0.006","85.181","0.005","476.76","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Cl N S -","- C8 H12 Cl N S -","- C16 H24 Cl2 N2 S2 -","2","1","","Das, Suman; Bhattacharjee, Jayeeta; Panda, Tarun K.","An imidazolin-2-iminato ligand organozinc complex as a catalyst for hydroboration of organic nitriles","New Journal of Chemistry","2019","43","43","16812","","10.1039/C9NJ04076E","","","1.54184","CuKα","","0.0499","0.0449","","","0.1253","0.1328","","","","","","1.066","","","","has coordinates","224766","2020-10-21","18:00:00",""
"7058882","11.5747","0.0003","28.8162","0.0006","14.7781","0.0003","90","","99.269","0.002","90","","4864.71","0.19","303.1","0.8","303.1","0.8","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C41 H62 Au Br2 F3 N4 O5 P2 S -","- C41 H62 Au Br2 F3 N4 O5 P2 S -","- C164 H248 Au4 Br8 F12 N16 O20 P8 S4 -","4","0.5","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","x-ray","0.71073","MoKα","","0.0303","0.0281","","","0.0781","0.0799","","","","","","1.036","","","","has coordinates,has disorder","219236","2020-10-21","18:00:00",""
"7058883","9.9549","0.0018","14.877","0.003","17.809","0.003","90","","96.37","0.002","90","","2621.2","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Au Cl N2 O P -","- C23 H37 Au Cl N2 O P -","- C92 H148 Au4 Cl4 N8 O4 P4 -","4","1","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","","0.71073","MoKα","","0.0795","0.0399","","","0.0923","0.1061","","","","","","1.004","","","","has coordinates","219236","2020-10-21","18:00:00",""
"7058884","9.9566","0.0004","21.0444","0.0008","13.5564","0.0006","90","","104.009","0.002","90","","2756","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 Au Cl3 N2 O P -","- C23 H37 Au Cl3 N2 O P -","- C92 H148 Au4 Cl12 N8 O4 P4 -","4","1","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","","0.71073","MoKα","","0.0401","0.0303","","","0.0851","0.0932","","","","","","1.005","","","","has coordinates","219236","2020-10-21","18:00:00",""
"7058885","22.602","0.002","15.0955","0.0014","15.1623","0.0015","90","","90","","90","","5173.2","0.8","100","2","99.99","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C42 H65 Au2 Br3.88 Cl2.12 N5 O2 P2 -","- C42 H65 Au2 Br3.892 Cl2.108 N5 O2 P2 -","- C168 H260 Au8 Br15.568 Cl8.432 N20 O8 P8 -","4","0.5","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","","0.71073","MoKα","","0.0532","0.0327","","","0.056","0.0608","","","","","","1.027","","","","has coordinates,has disorder","219236","2020-10-21","18:00:00",""
"7058886","16.7669","0.0006","27.1662","0.0012","12.0319","0.0004","90","","121.124","0.001","90","","4691.5","0.3","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Au Cl N4 O2 P2 -","- C40 H62 Au Cl N4 O2 P2 -","- C160 H248 Au4 Cl4 N16 O8 P8 -","4","0.5","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","","0.71073","MoKα","","0.0637","0.0527","","","0.1391","0.1497","","","","","","0.921","","","","has coordinates","219236","2020-10-21","18:00:00",""
"7058887","7.7345","0.0008","7.2239","0.0006","13.9285","0.0013","90","","90.6","0.007","90","","778.19","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N4 O5 -","- C17 H12 N4 O5 -","- C34 H24 N8 O10 -","2","1","","Bej, Sourav; Das, Riyanka; Hirani, Harish; Ghosh, Somnath; Banerjee, Priyabrata","“Naked eye” detection of CN- from aqueous phase and other extracellular matrices: An experimental and theoretical approach mimicking logic gate concept","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04528G","","","0.71073","MoKα","","0.1623","0.1504","","","0.3544","0.3589","","","","","","1.088","","","","has coordinates","219308","2020-10-21","18:00:00",""
"7058888","8.4098","0.0003","12.8036","0.0007","14.2437","0.0006","90","","90","","90","","1533.7","0.12","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H8 K N3 Ni O4 S -","- C13 H8 K N3 Ni O4 S -","- C52 H32 K4 N12 Ni4 O16 S4 -","4","0.5","","Abedi, Marjan; Mahmoudi, Ghodrat; Hayati, Payam; Machura, Barbara; Zubkov, Fedor Ivanovich; Mohammadi, Khosro; Bahrami, Shima; Derikvandi, Hadis; Mehrabadi, Zohreh; Kirillov, Alexander M.","3D heterometallic Ni(II)/K(I) MOF with a rare rna topology: synthesis, structural features, and photocatalytic dye degradation modeling","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04382A","","","0.71073","MoKα","","0.032","0.0259","","","0.0576","0.0597","","","","","","1.044","","","","has coordinates","219350","2020-10-21","18:00:00",""
"7058889","11.9741","0.0006","12.1625","0.0008","28.3572","0.0014","85.192","0.005","88.211","0.004","72.49","0.005","3924.5","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H166 Cu4 N10 O52 Si W12 -","- C136 H152 Cu4 N8 O48 Si W12 -","- C136 H152 Cu4 N8 O48 Si W12 -","1","0.5","","Yue, Liu-Juan; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Calix[4]arene-based polyoxometalate organic‒inorganic hybrid and coordination polymer as heterogeneous catalysts for azide‒alkyne cycloaddition and Knoevenagel condensation reaction","New Journal of Chemistry","2019","43","40","15871","","10.1039/C9NJ03930A","","","0.71073","MoKα","","0.1348","0.0951","","","0.2397","0.2706","","","","","","1.052","","","","has coordinates,has disorder","219351","2020-10-21","18:00:00",""
"7058890","13.1543","0.0005","24.637","0.0008","42.2769","0.0016","90","","90","","90","","13701.2","0.9","298","2","298.15","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C70 H79 Cd Cl2 N5 O4 -","- C70 H79 Cd Cl2 N5 O4 -","- C560 H632 Cd8 Cl16 N40 O32 -","8","1","","Yue, Liu-Juan; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang","Calix[4]arene-based polyoxometalate organic‒inorganic hybrid and coordination polymer as heterogeneous catalysts for azide‒alkyne cycloaddition and Knoevenagel condensation reaction","New Journal of Chemistry","2019","43","40","15871","","10.1039/C9NJ03930A","","","0.71073","MoKα","","0.0502","0.0413","","","0.0996","0.1039","","","","","","1.032","","","","has coordinates,has disorder","219351","2020-10-21","18:00:00",""
"7058891","9.582","0.0005","12.0943","0.0006","16.3348","0.0008","102.036","0.004","100.383","0.004","93.829","0.004","1810.32","0.16","270","2","270","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Cl2 N8 O8 Sb -","- C29 H39 Cl2 N8 O8 Sb -","- C58 H78 Cl4 N16 O16 Sb2 -","2","1","","Oliveira, Ana A.; Recio-Despaigne, Angel; Ferreira, Isabella Pires; Diniz, Renata; Sousa, Karoline; Bastos, Tanira; Soares, Milena Botelho; Moreira, Diogo R.; Beraldo, Heloisa","Investigation on the antitrypanosomal effects of 2-formyl-8-hydroxyquinoline-derived hydrazones and their antimony(III) and bismuth(III) complexes","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02676B","","x-ray","0.71073","MoKα","","0.0647","0.0394","","","0.0782","0.0906","","","","","","1.045","","","","has coordinates,has disorder","219352","2020-10-21","18:00:00",""
"7058892","7.9698","0.0008","10.5539","0.0011","11.386","0.0012","98.204","0.003","99.184","0.003","90.805","0.004","935.09","0.17","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 V -","- C20 H18 N2 O5 V -","- C40 H36 N4 O10 V2 -","2","1","","Salifoglou, Thanos; Tsave, Olga; Halevas, Eleftherios; Yavropoulou, Maria G.; Yovos, John G.; Hatzidimitriou, Antonios; Psycharis, Vassilis; Ypsilantis, Konstantinos; Stathi, Panagiota","V(V)-Schiff base species induce adipogenesis through structure-specific influence of genetic targets.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02520K","","","0.71073","MoKα","","0.0549","0.0443","","0.1113","0.1056","0.1056","","","","","","0.9995","","","","has coordinates","219380","2020-10-21","18:00:00",""
"7058893","7.1228","0.0001","22.3349","0.0005","10.4326","0.0002","90","","100.566","0.001","90","","1631.55","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 N O6 V -","- C16 H18 N O6 V -","- C64 H72 N4 O24 V4 -","4","1","","Salifoglou, Thanos; Tsave, Olga; Halevas, Eleftherios; Yavropoulou, Maria G.; Yovos, John G.; Hatzidimitriou, Antonios; Psycharis, Vassilis; Ypsilantis, Konstantinos; Stathi, Panagiota","V(V)-Schiff base species induce adipogenesis through structure-specific influence of genetic targets.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02520K","","","1.54178","CuKα","","0.0639","0.0509","","","0.1344","0.1454","","","","","","1.047","","","","has coordinates","219380","2020-10-21","18:00:00",""
"7058894","7.2356","0.0004","21.3942","0.0013","19.5771","0.0013","90","","100.594","0.004","90","","2978.9","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N O5 V -","- C15 H16 N O5 V -","- C120 H128 N8 O40 V8 -","8","2","","Salifoglou, Thanos; Tsave, Olga; Halevas, Eleftherios; Yavropoulou, Maria G.; Yovos, John G.; Hatzidimitriou, Antonios; Psycharis, Vassilis; Ypsilantis, Konstantinos; Stathi, Panagiota","V(V)-Schiff base species induce adipogenesis through structure-specific influence of genetic targets.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02520K","","","0.71073","MoKα","","0.081","0.052","","0.1332","0.1117","0.1117","","","","","","0.9999","","","","has coordinates","219380","2020-10-21","18:00:00",""
"7058895","7.3508","0.0005","21.9513","0.0015","21.7346","0.0017","90","","92.504","0.004","90","","3503.7","0.4","299","","299","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16.5 N Na O6.75 V -","- C17 H16.5 N Na O6.75 V -","- C136 H132 N8 Na8 O54 V8 -","8","2","","Salifoglou, Thanos; Tsave, Olga; Halevas, Eleftherios; Yavropoulou, Maria G.; Yovos, John G.; Hatzidimitriou, Antonios; Psycharis, Vassilis; Ypsilantis, Konstantinos; Stathi, Panagiota","V(V)-Schiff base species induce adipogenesis through structure-specific influence of genetic targets.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02520K","","","0.71073","MoKα","","0.0846","0.0485","","0.1183","0.0966","0.0966","","","","","","1","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7058896","11.4168","0.0013","14.2639","0.0018","11.1744","0.0014","90","","106.469","0.003","90","","1745.1","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl O -","- C20 H23 Cl O -","- C80 H92 Cl4 O4 -","4","1","","Sallum, Lóide; Siqueira, Vera; Custodio, Jean; Borges, Nádia; Lima, Aliny Pereira de; Abreu, Davi; Silveira-Lacerda, Elisângela de Paula; Lima, Rosa; Martins-Oliveira, Alisson; Camargo, Ademir Joao; Napolitano, Hamilton","Molecular modeling on cytotoxic activity of a new terpenoid-like bischalcone","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03452H","","","0.71073","MoKα","","0.1374","0.0823","","","0.1985","0.2431","","","","","","1.03","","","","has coordinates","219409","2020-10-21","18:00:00",""
"7058897","11.8183","0.0004","9.0129","0.0004","32.7415","0.0011","90","","91.807","0.003","90","","3485.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C160 H176 N32 -","8","2","","Il’in, Mikhail; Sysoeva, Alexandra A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Rogacheva, Elizaveta V.; Kraeva, Liudmila A.; Kukushkin, Vadim Yu.","Aminonitrones as Highly Reactive Bifunctional Synthons. Expedient One-pot Route to 5-Amino-1,2,4-triazoles and 5-Amino-1,2,4-oxadiazoles ‒ Potential Antimicrobials Targeting Multi-drug Resistant Bacteria","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04529E","","","0.71073","MoKα","","0.0648","0.0455","","","0.0894","0.0965","","","","","","1.06","","","","has coordinates","219410","2020-10-21","18:00:00",""
"7058898","24.8112","0.0002","16.1728","0.0002","9.0705","0.0001","90","","92.022","0.001","90","","3637.42","0.07","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 -","- C21 H24 N4 -","- C168 H192 N32 -","8","2","","Il’in, Mikhail; Sysoeva, Alexandra A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Rogacheva, Elizaveta V.; Kraeva, Liudmila A.; Kukushkin, Vadim Yu.","Aminonitrones as Highly Reactive Bifunctional Synthons. Expedient One-pot Route to 5-Amino-1,2,4-triazoles and 5-Amino-1,2,4-oxadiazoles ‒ Potential Antimicrobials Targeting Multi-drug Resistant Bacteria","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04529E","","x-ray","1.54184","CuKα","","0.046","0.0402","","","0.1032","0.1082","","","","","","1.013","","","","has coordinates,has disorder","219410","2020-10-21","18:00:00",""
"7058899","12.7945","0.0019","14.576","0.002","15.784","0.002","90","","112.699","0.003","90","","2715.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl2 Cu N5 O8 -","- C26 H23 Cl2 Cu N5 O8 -","- C104 H92 Cl8 Cu4 N20 O32 -","4","1","","Gao, Yingchun; Zhao, Yingguo; Song, Xiao-Wei; Huang, Rong-Yi; Meng, Yan; Wang, Junwei; Wang, Wenjing; Chen, Chengneng","Electrocatalytic Reduction of Protons to Hydrogen by a Copper Complex of the Pentadentate Ligand Dmphen-DPA in Nonaqueous Electrolyte","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04275J","","","0.71073","MoKα","","","0.0353","","","0.0848","0.0989","","","","","","1.028","","","","has coordinates,has disorder","219448","2020-10-21","18:00:00",""
"7058900","26.3912","0.0006","14.1307","0.0003","14.7958","0.0003","90","","90","","90","","5517.7","0.2","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H23 Cl2 N5 O8 Zn -","- C26 H23 Cl2 N5 O8 Zn -","- C208 H184 Cl16 N40 O64 Zn8 -","8","1","","Gao, Yingchun; Zhao, Yingguo; Song, Xiao-Wei; Huang, Rong-Yi; Meng, Yan; Wang, Junwei; Wang, Wenjing; Chen, Chengneng","Electrocatalytic Reduction of Protons to Hydrogen by a Copper Complex of the Pentadentate Ligand Dmphen-DPA in Nonaqueous Electrolyte","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04275J","","","0.71073","MoKα","","","0.0559","","","0.1541","0.1698","","","","","","1.046","","","","has coordinates,has disorder","219448","2020-10-21","18:00:00",""
"7058901","10.0354","0.0017","5.9271","0.001","11.7386","0.0019","90","","95.511","0.004","90","","695","0.2","298","2","298","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H17 Gd O14 -","- C8 H16 Gd O14 -","- C16 H32 Gd2 O28 -","2","0.5","","Zheng, Teng-Fei; Tian, Xue-Mei; Wu, Lin-Hui; Liu, Sui-Jun; Yao, Shu-Li; He, Kun-Huan; Huang, Hai-Ping; Liao, Jinsheng; Chen, Jing-Lin; Wen, He-Rui","Two GdIII complexes with different structures and magnetocaloric properties induced by metal ion sources","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04984C","","","0.71073","MoKα","","0.0346","0.0329","","","0.0862","0.0876","","","","","","1.102","","","","has coordinates","219477","2020-10-21","18:00:00",""
"7058902","6.0605","0.0004","7.7412","0.0005","10.4334","0.0007","96.583","0.002","97.241","0.002","95.907","0.002","478.95","0.05","299","2","298.82","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H10 Gd O10 -","- C5 H10 Gd O10 -","- C10 H20 Gd2 O20 -","2","1","","Zheng, Teng-Fei; Tian, Xue-Mei; Wu, Lin-Hui; Liu, Sui-Jun; Yao, Shu-Li; He, Kun-Huan; Huang, Hai-Ping; Liao, Jinsheng; Chen, Jing-Lin; Wen, He-Rui","Two GdIII complexes with different structures and magnetocaloric properties induced by metal ion sources","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04984C","","","0.71073","MoKα","","0.0182","0.0165","","","0.0384","0.0389","","","","","","1.109","","","","has coordinates","219477","2020-10-21","18:00:00",""
"7058903","8.6352","0.0002","9.0229","0.0002","11.5477","0.0003","85.762","0.002","81.565","0.002","67.851","0.001","824.16","0.03","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 O8 P2 -","- C34 H42 O8 P2 -","- C34 H42 O8 P2 -","1","0.5","","Arp, Fabian Felix; Ahn, Shin Hye; Bhuvanesh, Nattamai; Bluemel, Janet","Selective Synthesis and Stabilization of Peroxides via Phosphine Oxides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04858H","","","1.54178","CuKα","","0.0718","0.0534","","","0.099","0.1072","","","","","","1.101","","","","has coordinates,has disorder","219478","2020-10-21","18:00:00",""
"7058904","24.4329","0.0013","11.0268","0.0006","10.9841","0.0006","90","","114.11","0.002","90","","2701.1","0.3","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H50 O4 P2 -","- C26 H50 O4 P2 -","- C104 H200 O16 P8 -","4","0.5","","Arp, Fabian Felix; Ahn, Shin Hye; Bhuvanesh, Nattamai; Bluemel, Janet","Selective Synthesis and Stabilization of Peroxides via Phosphine Oxides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04858H","","","0.71073","MoKα","","0.0597","0.0435","","","0.0945","0.1016","","","","","","1.049","","","","has coordinates","219478","2020-10-21","18:00:00",""
"7058905","5.5661","0.0006","15.4167","0.0015","8.8545","0.0009","90","","92.306","0.003","90","","759.2","0.13","100.03","","100.03","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 O6 -","- C5 H10 O6 -","- C20 H40 O24 -","4","1","","Arp, Fabian Felix; Ahn, Shin Hye; Bhuvanesh, Nattamai; Bluemel, Janet","Selective Synthesis and Stabilization of Peroxides via Phosphine Oxides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04858H","","","0.71073","MoKα","","0.0676","0.0507","","","0.1094","0.1186","","","","","","1.036","","","","has coordinates","219478","2020-10-21","18:00:00",""
"7058906","8.9845","0.0004","8.9845","0.0004","8.5007","0.0005","90","","90","","90","","686.19","0.06","110.15","","110.15","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C5 H10 O4 -","- C5 H10 O4 -","- C20 H40 O16 -","4","0.5","","Arp, Fabian Felix; Ahn, Shin Hye; Bhuvanesh, Nattamai; Bluemel, Janet","Selective Synthesis and Stabilization of Peroxides via Phosphine Oxides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04858H","","","1.54178","CuKα","","0.0261","0.0246","","","0.0555","0.0557","","","","","","1.195","","","","has coordinates","219478","2020-10-21","18:00:00",""
"7058907","18.3344","0.0006","7.2653","0.0003","30.416","0.001","90","","106.564","0.002","90","","3883.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O2 S2 -","- C14 H10 N2 O2 S2 -","- C168 H120 N24 O24 S24 -","12","3","","Kumar, Virendra; Kundu, Subhankar; Bahadur, Sk; Patra, Abhijit","Naked-eye colorimetric sensor for methanol and ‘turn-on’ fluorescence detection of Al3+","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04688G","","","0.71073","MoKα","","0.0899","0.0527","","","0.1132","0.1294","","","","","","1.03","","","","has coordinates","219505","2020-10-21","18:00:00",""
"7058908","12.933","0.0006","8.4524","0.0004","14.8255","0.0007","90","","114.537","0.002","90","","1474.29","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 S2 -","- C15 H14 N2 O3 S2 -","- C60 H56 N8 O12 S8 -","4","1","","Kumar, Virendra; Kundu, Subhankar; Bahadur, Sk; Patra, Abhijit","Naked-eye colorimetric sensor for methanol and ‘turn-on’ fluorescence detection of Al3+","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04688G","","","0.71073","MoKα","","0.0965","0.0534","","","0.0937","0.108","","","","","","1.031","","","","has coordinates","219505","2020-10-21","18:00:00",""
"7058909","16.1139","0.0012","15.7868","0.0011","24.2833","0.0018","90","","91.623","0.005","90","","6174.9","0.8","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56.15 H53.15 Cu2 N7.25 O15.65 -","- C56.15 H53.15 Cu2 N7.25 O15.65 -","- C224.6 H212.6 Cu8 N29 O62.6 -","4","1","","Esrafili, Leili; gharib, maniya; Morsali, Ali","Selective Detection and Removal of Mercury Ion by Dual-Functionalized Metal-Organic Frameworks: Design-for-Purpose","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03951A","","","0.71075","MoKα","","0.2111","0.1381","","","0.3461","0.3977","","","","","","1.268","","","","has coordinates","219506","2020-10-21","18:00:00",""
"7058910","33.0853","0.0018","8.8295","0.0006","21.2489","0.0019","90","","90.41","0.007","90","","6207.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N6 O2 -","- C36 H26 Cl2 N6 O2 -","- C288 H208 Cl16 N48 O16 -","8","2","","POGAKU, VINAY; Vagolu, Siva Krishna; Balachandran, Chandrasekar; Krishnan, R.; Dharmarajan, Sriram; Aoki, Shin; Basavoju, Srininvas","Design and Green Synthesis of Novel Benzotriazoloquinolinyl Spirooxindolopyrrolizidines: Antimycobacterial and Antiproliferative studies","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03802G","","x-ray","0.71073","MoKα","","0.1499","0.0958","","","0.1919","0.2124","","","","","","1.14","","","","has coordinates","219507","2020-10-21","18:00:00",""
"7058911","16.7974","0.0006","8.9666","0.0003","21.2412","0.0008","90","","102.402","0.004","90","","3124.6","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Br Cl N6 O2 -","- C36 H26 Br Cl N6 O2 -","- C144 H104 Br4 Cl4 N24 O8 -","4","1","","POGAKU, VINAY; Vagolu, Siva Krishna; Balachandran, Chandrasekar; Krishnan, R.; Dharmarajan, Sriram; Aoki, Shin; Basavoju, Srininvas","Design and Green Synthesis of Novel Benzotriazoloquinolinyl Spirooxindolopyrrolizidines: Antimycobacterial and Antiproliferative studies","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03802G","","x-ray","0.71073","MoKα","","0.0397","0.0315","","","0.0793","0.0836","","","","","","1.018","","","","has coordinates","219507","2020-10-21","18:00:00",""
"7058912","9.2768","0.0002","14.5362","0.0004","56.2278","0.0011","90","","94.518","0.003","90","","7558.7","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Co N8 O4 S2 -","- C22 H26 Co N8 O4 S2 -","- C264 H312 Co12 N96 O48 S24 -","12","3","","Oloyede, Hammed Olawale; Woods, Joseph A. O.; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Necessity of free and uncrowded coordination environments in biomimetic complex models: oxidative coupling by mixed-ligand cobalt(II) complexes of diazene-disulfonamide","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04396A","","","0.71073","MoKα","","0.0387","0.032","","","0.0744","0.0773","","","","","","1.041","","","","has coordinates","220349","2020-10-21","18:00:00",""
"7058913","9.2159","0.0002","12.0557","0.0004","16.1593","0.0005","90.159","0.003","105.367","0.003","105.575","0.001","1662.32","0.09","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Co N8 O4 S2 -","- C34 H34 Co N8 O4 S2 -","- C68 H68 Co2 N16 O8 S4 -","2","1","","Oloyede, Hammed Olawale; Woods, Joseph A. O.; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Necessity of free and uncrowded coordination environments in biomimetic complex models: oxidative coupling by mixed-ligand cobalt(II) complexes of diazene-disulfonamide","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04396A","","","0.71073","MoKα","","0.1134","0.0692","","","0.1257","0.1424","","","","","","1.076","","","","has coordinates","220349","2020-10-21","18:00:00",""
"7058914","25.0084","0.0005","9.5461","0.0002","14.841","0.0003","90","","90","","90","","3543.03","0.13","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H36 Co N6 O5 S2 -","- C37 H36 Co N6 O5 S2 -","- C148 H144 Co4 N24 O20 S8 -","4","1","","Oloyede, Hammed Olawale; Woods, Joseph A. O.; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Necessity of free and uncrowded coordination environments in biomimetic complex models: oxidative coupling by mixed-ligand cobalt(II) complexes of diazene-disulfonamide","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04396A","","","0.71073","MoKα","","0.0654","0.0486","","","0.0994","0.1071","","","","","","1.06","","","","has coordinates","220349","2020-10-21","18:00:00",""
"7058915","16.8164","0.0004","9.0073","0.0002","18.1311","0.0004","90","","113.839","0.001","90","","2512.02","0.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Co N6 O4 S2 -","- C24 H24 Co N6 O4 S2 -","- C96 H96 Co4 N24 O16 S8 -","4","1","","Oloyede, Hammed Olawale; Woods, Joseph A. O.; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Necessity of free and uncrowded coordination environments in biomimetic complex models: oxidative coupling by mixed-ligand cobalt(II) complexes of diazene-disulfonamide","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04396A","","","0.71073","MoKα","","0.0561","0.045","","","0.0926","0.0982","","","","","","1.025","","","","has coordinates,has disorder","220349","2020-10-21","18:00:00",""
"7058916","10.5379","0.0002","9.1919","0.0002","25.3211","0.0005","90","","95.362","0.001","90","","2441.95","0.09","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.2 H22.4 Cl2 N2 Ni O3 -","- C25.2 H22.4 Cl2 N2 Ni O3 -","- C100.8 H89.6 Cl8 N8 Ni4 O12 -","4","1","","Danelli, Panagiota; Tsantis, Sokratis T.; Kitos, Alexandros; Psycharis, Vassilis; Raptopoulou, Catherine P.; Tsipis, Athanassios; Perlepes, Spyros P.","Investigating the isolation and interconversion of two diastereoisomers in an octahedral system","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04876F","","","0.71073","MoKα","","0.0635","0.0449","","","0.1258","0.1441","","","","","","1.091","","","","has coordinates,has disorder","220350","2020-10-21","18:00:00",""
"7058917","7.954","0.0001","13.9375","0.0003","19.6479","0.0004","90","","90","","90","","2178.14","0.07","170","2","170","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C24 H18 Cl2 N2 Ni O2 -","- C24 H18 Cl2 N2 Ni O2 -","- C96 H72 Cl8 N8 Ni4 O8 -","4","0.5","","Danelli, Panagiota; Tsantis, Sokratis T.; Kitos, Alexandros; Psycharis, Vassilis; Raptopoulou, Catherine P.; Tsipis, Athanassios; Perlepes, Spyros P.","Investigating the isolation and interconversion of two diastereoisomers in an octahedral system","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04876F","","","0.71073","MoKα","","0.0434","0.0306","","","0.073","0.0819","","","","","","1.125","","","","has coordinates","220350","2020-10-21","18:00:00",""
"7058918","4.0598","0.0006","11.1929","0.0018","12.2066","0.0018","111.485","0.003","90.699","0.002","97.282","0.002","510.94","0.14","290","2","290","2","","","","","","","","5","P -1","-P 1","2","Cocrystal 1,2,4,5-tetrachlorobenzene and 1,2-bis(4-pyridyl)ethyne","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","","0.71073","MoKα","","0.0166","0.0155","","","0.0353","0.0359","","","","","","1.061","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058919","4.0326","0.00016","10.8287","0.0003","12.379","0.0003","111.495","0.003","92.054","0.003","94.675","0.003","500.03","0.03","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0395","0.0347","","","0.0879","0.0913","","","","","","1.099","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058920","4.02352","0.00016","10.8276","0.0003","12.3666","0.0004","111.499","0.003","92.051","0.003","94.643","0.003","498.38","0.03","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0363","0.0309","","","0.0762","0.0798","","","","","","1.09","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058921","4.0145","0.00014","10.8241","0.0002","12.3534","0.0003","111.476","0.002","92.043","0.003","94.58","0.002","496.71","0.02","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0377","0.0323","","","0.0816","0.0846","","","","","","1.095","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058922","4.05043","0.00019","10.8317","0.0003","12.4043","0.0003","111.501","0.003","92.105","0.003","94.666","0.003","503.36","0.03","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0391","0.0338","","","0.0854","0.0911","","","","","","1.103","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058923","4.05852","0.00019","10.8342","0.0004","12.4194","0.0004","111.498","0.003","92.143","0.003","94.631","0.003","505.12","0.04","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0411","0.0352","","","0.0896","0.0962","","","","","","1.138","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058924","4.04426","0.00006","10.88792","0.00018","12.30931","0.00018","110.477","0.0015","92.6533","0.0012","94.588","0.0013","504.543","0.014","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0253","0.0242","","","0.0648","0.0659","","","","","","1.027","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058925","4.0344","0.0001","10.8835","0.0002","12.2968","0.0002","110.424","0.002","92.656","0.002","94.579","0.002","502.782","0.019","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0239","0.0228","","","0.0565","0.0578","","","","","","1.059","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058926","4.06096","0.00006","10.91085","0.00013","12.34281","0.00012","110.66","0.001","92.5824","0.001","94.7301","0.0011","508.363","0.011","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0267","0.0252","","","0.0639","0.0657","","","","","","1.04","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058927","4.07136","0.00007","10.92294","0.00016","12.36101","0.00014","110.782","0.0012","92.53","0.0013","94.8692","0.0013","510.46","0.014","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H5 Cl2 I N -","- C9 H5 Cl2 I N -","- C18 H10 Cl4 I2 N2 -","2","1","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0276","0.0253","","","0.0646","0.0672","","","","","","1.04","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058928","4.05144","0.00005","10.90047","0.00011","12.32575","0.00011","110.558","0.0009","92.6207","0.0009","94.63","0.0009","506.406","0.01","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0266","0.0248","","","0.0638","0.0663","","","","","","1.072","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058929","4.0179","0.0002","11.1807","0.0006","12.1538","0.0007","111.505","0.001","90.519","0.001","97.616","0.001","502.51","0.05","190","2","190","2","","","","","","","","5","P -1","-P 1","2","Cocrystal 1,2,4,5-tetrachlorobenzene and 1,2-bis(4-pyridyl)ethyne","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","","0.71073","MoKα","","0.0133","0.0126","","","0.0315","0.0318","","","","","","1.088","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058930","4.0413","0.0002","11.1833","0.0006","12.1828","0.0007","111.489","0.001","90.637","0.001","97.409","0.001","507.03","0.05","250","2","250","2","","","","","","","","5","P -1","-P 1","2","Cocrystal 1,2,4,5-tetrachlorobenzene and 1,2-bis(4-pyridyl)ethyne","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","","0.71073","MoKα","","0.0154","0.0146","","","0.0345","0.0349","","","","","","1.072","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058931","4.0502","0.0002","11.186","0.0007","12.1964","0.0007","111.492","0.001","90.671","0.001","97.332","0.001","508.92","0.05","270","2","270","2","","","","","","","","5","P -1","-P 1","2","Cocrystal 1,2,4,5-tetrachlorobenzene and 1,2-bis(4-pyridyl)ethyne","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","","0.71073","MoKα","","0.0159","0.015","","","0.0356","0.0361","","","","","","1.078","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058932","4.08394","0.00006","10.93443","0.00015","12.37987","0.00014","110.926","0.0012","92.4643","0.0012","95.0316","0.0012","512.735","0.013","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","- C18 H10 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0303","0.0287","","","0.0749","0.077","","","","","","1.061","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058933","4.0263","0.0003","11.1831","0.0009","12.1654","0.001","111.501","0.001","90.558","0.001","97.549","0.001","504.23","0.07","210","2","210","2","","","","","","","","5","P -1","-P 1","2","Cocrystal 1,2,4,5-tetrachlorobenzene and 1,2-bis(4-pyridyl)ethyne","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","","0.71073","MoKα","","0.0236","0.0205","","","0.0451","0.0482","","","","","","1.224","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058934","4.0336","0.0002","11.1825","0.0007","12.1732","0.0007","111.496","0.001","90.599","0.001","97.48","0.001","505.53","0.05","230","2","230","2","","","","","","","","5","P -1","-P 1","2","Cocrystal 1,2,4,5-tetrachlorobenzene and 1,2-bis(4-pyridyl)ethyne","","","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","- C18 H8 Cl4 I2 N2 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","","0.71073","MoKα","","0.0148","0.0141","","","0.0335","0.0339","","","","","","1.087","","","","has coordinates","220351","2020-10-21","18:00:00",""
"7058935","4.04169","0.00016","10.8302","0.0003","12.3901","0.0003","111.496","0.003","92.077","0.003","94.678","0.003","501.66","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","- C16 H8 Cl4 I2 N4 -","1","0.5","","Juneja, Navkiran Kaur; Unruh, Daniel K.; Bosch, Eric; Groeneman , Ryan; Hutchins, Kristin M.","Effects of dynamic pedal motion and static disorder on thermal expansion within halogen bonded co-crystals","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04833B","","x-ray","1.54178","CuKα","","0.0408","0.0355","","","0.0902","0.0944","","","","","","1.089","","","","has coordinates,has disorder","220351","2020-10-21","18:00:00",""
"7058936","10.534","0.0011","8.987","0.0009","17.043","0.0015","90","","99.395","0.008","90","","1591.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrakis(1-aminotetrazolyl) bis(phloroglucinato) copper(II)","tetrakis(1-aminotetrazolyl) bis(phloroglucinato) copper(II)","","- C16 H16 Cu N26 O18 -","- C16 H16 Cu N26 O18 -","- C32 H32 Cu2 N52 O36 -","2","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71069","MoKα","","0.1601","0.0713","","","0.0909","0.126","","","","","","1.018","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058937","14.6007","0.0014","15.0584","0.0014","8.085","0.0007","90","","90","","90","","1777.6","0.3","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(1-amino-5-methyltetrazolyl) copper(II) styphnate","bis(1-amino-5-methyltetrazolyl) copper(II) styphnate","","- C10 H11 Cu N13 O8 -","- C10 H11 Cu N13 O8 -","- C40 H44 Cu4 N52 O32 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71069","MoKα","","0.1101","0.058","","","0.0693","0.0847","","","","","","1.026","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058938","6.8633","0.0003","16.3608","0.0008","32.863","0.002","90","","92.152","0.005","90","","3687.6","0.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","monoaqua tetrakis(1-amino-5-methyl-tetrazolyl)copper(II) trinitrophloglucinate","monoaqua tetrakis(1-amino-5-methyl-tetrazolyl)copper(II) trinitrophloglucinate","","- C20 H26 Cu N26 O19 -","- C20 H26 Cu N26 O19 -","- C80 H104 Cu4 N104 O76 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.1028","0.0513","","","0.0951","0.1182","","","","","","1.017","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058939","7.7928","0.0006","11.1366","0.0009","15.8638","0.0012","73.445","0.007","81.065","0.006","77.47","0.007","1281.8","0.18","143","2","143","2","","","","","","","","5","P -1","-P 1","2","di(2-amino-5-methyltetrazolyl) dipicrato copper(II)","di(2-amino-5-methyltetrazolyl) dipicrato copper(II)","","- C16 H14 Cu N16 O14 -","- C16 H14 Cu N16 O14 -","- C32 H28 Cu2 N32 O28 -","2","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0631","0.0434","","","0.0949","0.1063","","","","","","1.043","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058940","7.896","0.0006","21.275","0.0015","7.028","0.0007","90","","95.995","0.008","90","","1174.16","0.17","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di(1-aminotetrazolyl) dipicrato copper(II)","di(1-aminotetrazolyl) dipicrato copper(II)","","- C14 H10 Cu N16 O14 -","- C14 H10 Cu N16 O14 -","- C28 H20 Cu2 N32 O28 -","2","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71069","MoKα","","0.0943","0.0498","","","0.0869","0.1052","","","","","","1.031","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058941","5.8896","0.0003","19.8705","0.0009","10.7979","0.0006","90","","94.962","0.006","90","","1258.93","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(1-aminotetrazolyl) bis(trinitroresorcinato)copper(II)","bis(1-aminotetrazolyl) bis(trinitroresorcinato)copper(II)","","- C14 H10 Cu N16 O16 -","- C14 H10 Cu N16 O16 -","- C28 H20 Cu2 N32 O32 -","2","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.084","0.0537","","","0.1086","0.122","","","","","","1.103","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058942","11.7176","0.0005","8.0996","0.0003","16.7581","0.0009","90","","108.825","0.005","90","","1505.4","0.13","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","monoaqua 2-amino-5-methyltetrazolyl trinitroresorcinato copper(II) hydrate","monoaqua 2-amino-5-methyltetrazolyl trinitroresorcinato copper(II) hydrate","","- C8 H10 Cu N8 O10 -","- C8 H10 Cu N8 O10 -","- C32 H40 Cu4 N32 O40 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0414","0.0321","","","0.0752","0.0805","","","","","","1.06","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058943","16.5743","0.0008","15.0908","0.0007","22.2088","0.001","90","","103.28","0.004","90","","5406.3","0.4","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","di(1-amino-5-methyltetrazolyl) dipicrato copper(II) semihydrate","di(1-amino-5-methyltetrazolyl) dipicrato copper(II) semihydrate","","- C32 H30 Cu2 N32 O29 -","- C32 H30 Cu2 N32 O29 -","- C128 H120 Cu8 N128 O116 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.1116","0.055","","","0.1014","0.1305","","","","","","1.036","","","","has coordinates,has disorder","220352","2020-10-21","18:00:00",""
"7058944","13.003","0.0008","13.5703","0.0011","6.8287","0.0005","90","","93.619","0.006","90","","1202.55","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-aminotetrazolyl) copper(II) bis(picrate)","bis(2-aminotetrazolyl) copper(II) bis(picrate)","","- C14 H10 Cu N16 O14 -","- C14 H10 Cu N16 O14 -","- C28 H20 Cu2 N32 O28 -","2","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0764","0.0441","","","0.0737","0.0875","","","","","","1.02","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058945","15.2566","0.0009","14.7433","0.0007","8.135","0.0005","90","","90","","90","","1829.83","0.18","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","di(1-amino-5-methyltetrazolyl) 5-hydroxy-2,4,6-trinitresorcinato copper(II)","di(1-amino-5-methyltetrazolyl) 5-hydroxy-2,4,6-trinitresorcinato copper(II)","","- C10 H11 Cu N13 O9 -","- C10 H11 Cu N13 O9 -","- C40 H44 Cu4 N52 O36 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","","0.71073","MoKα","","0.1406","0.0668","","","0.0843","0.1062","","","","","","0.988","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058946","11.5832","0.0008","7.4944","0.0004","11.9045","0.0008","90","","118.862","0.009","90","","905.05","0.13","129","2","129","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-amino-5-methyl-tetrazole benzhydrazone","(E)-1-phenyl-N-(5-methyl-1H-tetrazol-1-yl)methanimine","","- C9 H9 N5 -","- C9 H9 N5 -","- C36 H36 N20 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0523","0.0432","","","0.1194","0.1293","","","","","","1.074","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058947","6.2297","0.0004","8.806","0.0006","12.0376","0.0007","79.309","0.005","89.906","0.005","82.408","0.005","643.04","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(2-aminotetrazolyl) bis(trinitroresorcinyl) copper(II)","bis(2-aminotetrazolyl) bis(trinitroresorcinyl) copper(II)","","- C14 H10 Cu N16 O16 -","- C14 H10 Cu N16 O16 -","- C14 H10 Cu N16 O16 -","1","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0331","0.0291","","","0.0668","0.0701","","","","","","1.086","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058948","8.0087","0.0009","8.7623","0.001","11.2661","0.0009","69.572","0.009","78.715","0.008","64.89","0.011","669.8","0.14","143","2","143","2","","","","","","","","5","P -1","-P 1","2","bis(1-amino-5-methyltetrazolyl)copper(II) di(3,5-dihydroxy-2,4,6-trinitrophenolate)","bis(1-amino-5-methyltetrazolyl)copper(II) di(3,5-dihydroxy-2,4,6-trinitrophenolate)","","- C16 H14 Cu N16 O18 -","- C16 H14 Cu N16 O18 -","- C16 H14 Cu N16 O18 -","1","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0588","0.0432","","","0.0853","0.095","","","","","","1.046","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058949","5.7191","0.0004","7.7483","0.0005","10.4586","0.0007","90","","90","","90","","463.46","0.05","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-amino-5-methyltetrazole","1-amino-5-methyltetrazole","","- C2 H5 N5 -","- C2 H5 N5 -","- C8 H20 N20 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0436","0.0362","","","0.0853","0.0925","","","","","","1.055","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058950","19.3734","0.0007","7.3825","0.0003","20.6095","0.0008","90","","108.836","0.001","90","","2789.8","0.19","111","2","111","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","copper(II) 1-AMT trinitrophloroglucinate hydrate","","","- C16 H18 Cu N16 O20 -","- C16 H18 Cu N16 O20 -","- C64 H72 Cu4 N64 O80 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","","0.71073","MoKα","","0.0402","0.0321","","","0.0726","0.0759","","","","","","1.061","","","","has coordinates","276335","2022-06-28","15:41:43",""
"7058951","8.613","0.0007","9.278","0.0009","11.643","0.0012","106.515","0.009","101.929","0.007","107.829","0.008","804.01","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tetrakis(2-aminotetrazolyl) bis(phloroglucinato) copper(II)","tetrakis(2-aminotetrazolyl) bis(phloroglucinato) copper(II)","","- C16 H16 Cu N26 O18 -","- C16 H16 Cu N26 O18 -","- C16 H16 Cu N26 O18 -","1","0.5","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71069","MoKα","","0.0489","0.0363","","","0.0797","0.0868","","","","","","1.098","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058952","10.6403","0.0003","11.0311","0.0003","13.4694","0.0004","90","","92.887","0.001","90","","1578.95","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N2 O5 V -","- C15 H21 N2 O5 V -","- C60 H84 N8 O20 V4 -","4","1","","Chattopadhyay, Shouvik; Thakur, Snehasish; Banerjee, Snehasis; Das, Saurabh","DFT study on the redox behavior of two dioxovanadium(V) complexes with N2O donor Schiff base ligands and their use in catalytic oxidation of ortho-aminophenol","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04672K","","","0.71073","MoKα","","0.0412","0.0318","","","0.093","0.0984","","","","","","1.027","","","","has coordinates","220528","2020-10-21","18:00:00",""
"7058953","6.7006","0.0003","11.7699","0.0006","16.5401","0.0009","90","","98.969","0.003","90","","1288.49","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Br N2 O3 V -","- C11 H14 Br N2 O3 V -","- C44 H56 Br4 N8 O12 V4 -","4","1","","Chattopadhyay, Shouvik; Thakur, Snehasish; Banerjee, Snehasis; Das, Saurabh","DFT study on the redox behavior of two dioxovanadium(V) complexes with N2O donor Schiff base ligands and their use in catalytic oxidation of ortho-aminophenol","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04672K","","","0.71073","MoKα","","0.097","0.0438","","","0.1033","0.1209","","","","","","0.983","","","","has coordinates","220528","2020-10-21","18:00:00",""
"7058954","3.9511","0.0003","12.1653","0.001","12.6022","0.001","67.66","0.003","89.706","0.004","86.172","0.004","558.89","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Br10 Cu3 N6 -","- C6 H10 Br10 Cu3 N6 -","- C6 H10 Br10 Cu3 N6 -","1","0.5","","Berezin, Alexey Sergeevich; Komarovskikh, Andrey; Syrokvashin, Mikhail M.; Sheven, Dmitry G.; Komarov, Vladislav","Trinuclear Copper(II) Bromide Complex [C3H5N3Br]2n[Cu3Br8]n. Structure, Magnetic Properties and DFT calculations.","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04826J","","","0.71073","MoKα","","0.0516","0.0394","","","0.0996","0.1049","","","","","","0.995","","","","has coordinates","220529","2020-10-21","18:00:00",""
"7058955","7.5562","0.0003","7.577","0.0003","19.0345","0.0008","80.335","0.002","85.586","0.002","86.024","0.001","1069.37","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O6 -","- C24 H27 N3 O6 -","- C48 H54 N6 O12 -","2","1","","Pandeeti, Obaiah; Kumar, Sathish B.; Panda, Pradeepta","One-pot Synthesis of Benzotripyrrole Derivatives from 1H-pyrroles","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04700J","","","0.71073","MoKα","","0.0535","0.0419","","","0.115","0.1259","","","","","","0.81","","","","has coordinates","220530","2020-10-21","18:00:00",""
"7058956","9.9046","0.0005","8.2466","0.0004","14.0533","0.0006","90","","105.416","0.001","90","","1106.56","0.09","299","2","299","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H9 Br I N O2 -","- C8 H9 Br I N O2 -","- C32 H36 Br4 I4 N4 O8 -","4","2","","Pandeeti, Obaiah; Kumar, Sathish B.; Panda, Pradeepta","One-pot Synthesis of Benzotripyrrole Derivatives from 1H-pyrroles","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04700J","","","0.71073","MoKα","","0.0432","0.0424","","","0.136","0.1371","","","","","","1.185","","","","has coordinates","220530","2020-10-21","18:00:00",""
"7058958","14.782","0.005","13.22","0.003","19.395","0.006","90","","97.26","0.014","90","","3759.7","1.9","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bromo-(N-carbamothioylacetamide)-bis(triphenylphosphine)-copper(i)","","- C39 H36 Br Cu N2 O P2 S -","- C39 H36 Br Cu N2 O P2 S -","- C156 H144 Br4 Cu4 N8 O4 P8 S4 -","4","1","","Khan, Syed Ishtiaq; Ahmad, Sajjad; Altaf, Ataf Ali; Badshah, Amin; Rauf, Muhammad Khawer; Azam, Syed Skander; Tahir, Muhammad Nawaz","Heteroleptic Copper (I) halides with triphenylphosphine and acetylthiourea: Synthesis, Characterization and Biological Studies (Experimental and Molecular Docking)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03005K","","","0.71073","MoKα","","0.1123","0.0461","","","0.0842","0.1024","","","","","","0.959","","","","has coordinates","222244","2020-10-21","18:00:00",""
"7058959","14.149","0.003","13.291","0.002","20.563","0.005","90","","100.843","0.012","90","","3797.9","1.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Iodo-(N-carbamothioylacetamide)-bis(triphenylphosphine)-copper(i)","","- C39 H36 Cu I N2 O P2 S -","- C39 H36 Cu I N2 O P2 S -","- C156 H144 Cu4 I4 N8 O4 P8 S4 -","4","1","","Khan, Syed Ishtiaq; Ahmad, Sajjad; Altaf, Ataf Ali; Badshah, Amin; Rauf, Muhammad Khawer; Azam, Syed Skander; Tahir, Muhammad Nawaz","Heteroleptic Copper (I) halides with triphenylphosphine and acetylthiourea: Synthesis, Characterization and Biological Studies (Experimental and Molecular Docking)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03005K","","","0.71073","MoKα","","0.113","0.0511","","","0.1026","0.1243","","","","","","0.992","","","","has coordinates,has disorder","222244","2020-10-21","18:00:00",""
"7058960","7.997","0.0002","16.9851","0.0007","16.046","0.0007","90","","90","","90","","2179.53","0.14","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H16 Cl2 N2 Pt -","- C6 H16 Cl2 N2 Pt -","- C48 H128 Cl16 N16 Pt8 -","8","1","","Mahata, Sujay; Mukherjee, Subhajit; Tarai, Swarup Kumar; Pan, Angana; Mitra, Ishani; Pal, Soumojit; Maitra, Sudipta; Moi, Sankar Ch.","Synthesis and characterization of Pt(II) based potent anticancer agents with minimum normal cell toxicity: their bio-activity and DNA binding property","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03108A","","x-ray","1.54184","CuKα","","0.0546","0.0526","","","0.1463","0.1482","","","","","","1.252","","","","has coordinates","222245","2020-10-21","18:00:00",""
"7058961","9.1092","0.0003","9.8959","0.0004","13.2673","0.0005","102.199","0.003","103.963","0.003","98.146","0.003","1110.77","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 Cl2 N4 O Pt S -","- C21 H20 Cl2 N4 O Pt S -","- C42 H40 Cl4 N8 O2 Pt2 S2 -","2","1","","Liu, Rui-Xue; Wu, Ying-Shu; Liu, Yan-Cheng; Luo, Ru-Yi; Yang, Li-Dong; Tang, Meng-Ting; Chen, Zhen-Feng; Liang, Hong","New anthrahydrazone derivatives and their cisplatin-like complexes: Synthesis, antitumor activity and structure-activity relationship","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02965F","","x-ray","0.71073","MoKα","","0.0555","0.0489","","","0.1199","0.1285","","","","","","1.035","","","","has coordinates","222246","2020-10-21","18:00:00",""
"7058962","9.161","0.003","9.961","0.003","13.165","0.004","101.623","0.004","103.647","0.004","97.629","0.004","1122.8","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H21 Cl2 N4 O2 Pt S -","- C22 H20 Cl2 N4 O2 Pt S -","- C44 H40 Cl4 N8 O4 Pt2 S2 -","2","1","","Liu, Rui-Xue; Wu, Ying-Shu; Liu, Yan-Cheng; Luo, Ru-Yi; Yang, Li-Dong; Tang, Meng-Ting; Chen, Zhen-Feng; Liang, Hong","New anthrahydrazone derivatives and their cisplatin-like complexes: Synthesis, antitumor activity and structure-activity relationship","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02965F","","","0.71073","MoKα","","0.0245","0.0236","","","0.0725","0.0731","","","","","","1.185","","","","has coordinates","222246","2020-10-21","18:00:00",""
"7058963","7.904","0.0014","29.488","0.005","9.471","0.002","90","","103.898","0.019","90","","2142.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F3 N3 O4 -","- C23 H16 F3 N3 O4 -","- C92 H64 F12 N12 O16 -","4","1","","Jiao, Shulin; Li, Yao-Jia; Gao, Zhiguo; Chen, Ruicheng; Wang, Yan; Zou, Zhihong","Synthesis of an antifungal 1,2,4-triazole drug and establishment of a drug delivery system based on zeolitic imidazolate frameworks","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04432A","","","0.71073","MoKα","","0.2346","0.1234","","","0.2943","0.3407","","","","","","1.05","","","","has coordinates","223282","2020-10-21","18:00:00",""
"7058964","11.911","0.0002","12.7103","0.0002","15.0672","0.0002","90","","105.425","0.0009","90","","2198.9","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 I N2 O4 Si -","- C15.997 H34.991 I N2 O4 Si -","- C63.988 H139.964 I4 N8 O16 Si4 -","4","1","","Perez-Perez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Jancik, Vojtech","Bifunctional silanol-based HBD catalysts for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04840E","","","1.54178","CuKα","","0.0511","0.0508","","","0.1106","0.1108","","","","","","1.339","","","","has coordinates,has disorder","223283","2020-10-21","18:00:00",""
"7058965","9.2272","0.0004","10.2167","0.0005","13.4242","0.0006","90","","106.764","0.0007","90","","1211.73","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H39 I N2 O4 Si -","- C18 H39 I N2 O4 Si -","- C36 H78 I2 N4 O8 Si2 -","2","1","","Perez-Perez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Jancik, Vojtech","Bifunctional silanol-based HBD catalysts for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04840E","","","0.71073","MoKα","","0.0251","0.0249","","","0.0633","0.0634","","","","","","1.072","","","","has coordinates,has disorder","223283","2020-10-21","18:00:00",""
"7058966","9.199","0.0006","10.1509","0.0006","13.4605","0.0008","90","","105.605","0.001","90","","1210.58","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H39 I N2 O4 Si -","- C18 H39 I N2 O4 Si -","- C36 H78 I2 N4 O8 Si2 -","2","1","","Perez-Perez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Jancik, Vojtech","Bifunctional silanol-based HBD catalysts for CO2 fixation into cyclic carbonates","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04840E","","","0.71073","MoKα","","0.0263","0.0254","","","0.0616","0.0623","","","","","","1.03","","","","has coordinates,has disorder","223283","2020-10-21","18:00:00",""
"7058967","10.8154","0.0006","17.0791","0.0011","17.591","0.001","82.238","0.003","84.722","0.003","87.293","0.003","3203.9","0.3","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C140 H112 Cd7 N8 O47 -","- C140 H112 Cd7 N8 O47 -","- C140 H112 Cd7 N8 O47 -","1","0.5","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A novel 3D Cd-based luminescent coordination polymer for selective sensing of 4-NP and NZF","New Journal of Chemistry","2019","43","43","16853","","10.1039/C9NJ04250D","","","0.71073","MoKα","","0.1246","0.0598","","","0.1234","0.153","","","","","","1.017","","","","has coordinates,has disorder","223412","2020-10-21","18:00:00",""
"7058968","13.169","0.0006","6.8675","0.0003","15.9197","0.0007","90","","101.802","0.002","90","","1409.31","0.11","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H42 N0 O2 -","- C34 H42 O2 -","- C68 H84 O4 -","2","0.5","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0812","0.0745","","","0.1899","0.1976","","","","","","1.102","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058969","12.2984","0.0006","14.6289","0.0007","7.9467","0.0004","90","","90","","90","","1429.71","0.12","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H46 O4 -","- C34 H46 O4 -","- C68 H92 O8 -","2","0.5","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0377","0.037","","","0.1005","0.1014","","","","","","1.153","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058970","10.6897","0.0004","15.7992","0.0005","18.4623","0.0006","90","","90","","90","","3118.07","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 N O2 P -","- C39 H52 N O2 P -","- C156 H208 N4 O8 P4 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","0.71073","MoKα","","0.0785","0.0547","","","0.1395","0.1525","","","","","","1.061","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058971","8.0376","0.0005","12.5422","0.0009","13.6773","0.0008","97.302","0.003","98.335","0.004","94.869","0.004","1345.65","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N O4 -","- C32 H41 N O4 -","- C64 H82 N2 O8 -","2","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","0.71073","MoKα","","0.1088","0.0536","","","0.1377","0.1619","","","","","","0.994","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058972","7.7206","0.0015","11.737","0.002","16.646","0.003","90","","102.16","0.03","90","","1474.6","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H46 O4 -","- C34 H46 O4 -","- C68 H92 O8 -","2","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0375","0.036","","","0.0906","0.0939","","","","","","1.076","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058973","11.8372","0.0004","15.9591","0.0005","16.7437","0.0005","90","","90","","90","","3163.07","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 N O2 P -","- C38 H52 N O2 P -","- C152 H208 N4 O8 P4 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0387","0.0375","","","0.0956","0.0969","","","","","","1.043","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058974","10.359","0.002","11.81","0.002","25.612","0.009","90","","90","","90","","3133.4","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cl F O2 P Pd -","- C35 H45 Cl F O2 P Pd -","- C140 H180 Cl4 F4 O8 P4 Pd4 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0227","0.0214","","","0.0581","0.0651","","","","","","1.169","","","","has coordinates,has disorder","223413","2020-10-21","18:00:00",""
"7058975","7.4531","0.0013","16.561","0.006","22.022","0.007","90","","90","","90","","2718.2","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C136 H168 O8 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0414","0.04","","","0.1051","0.1064","","","","","","1.074","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058976","7.252","0.0003","10.1453","0.0003","11.3074","0.0005","79.677","0.003","75.793","0.003","71.147","0.003","758.68","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O5 -","- C15 H15 Mo N3 O5 -","- C30 H30 Mo2 N6 O10 -","2","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.0323","0.0252","","","0.0558","0.0579","","","","","","1.057","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058977","10.289","0.0003","19.3726","0.0003","10.871","0.003","90","","109.296","0.003","90","","2045.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Mo N4 O7 -","- C18 H22 Mo N4 O7 -","- C72 H88 Mo4 N16 O28 -","4","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.0478","0.0322","","","0.0717","0.0796","","","","","","0.989","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058978","8.2671","0.0003","21.0838","0.0007","10.9123","0.0004","90","","102.686","0.004","90","","1855.6","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Mo N3 O6 -","- C17 H19 Mo N3 O6 -","- C68 H76 Mo4 N12 O24 -","4","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.0375","0.0298","","","0.0768","0.0818","","","","","","0.967","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058979","16.5323","0.0006","8.9306","0.0004","13.4161","0.0005","90","","95.373","0.003","90","","1972.09","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Mo N4 O5 -","- C17 H18 Mo N4 O5 -","- C68 H72 Mo4 N16 O20 -","4","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.078","0.0441","","","0.0841","0.0974","","","","","","1.012","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058980","18.7159","0.0007","11.8617","0.0004","6.79719","0.00017","90","","96.216","0.004","90","","1500.12","0.09","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Mo N3 O5 -","- C15 H13 Mo N3 O5 -","- C60 H52 Mo4 N12 O20 -","4","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058981","18.8083","0.0006","10.3415","0.0003","16.116","0.0005","90","","102.928","0.003","90","","3055.2","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Mo N3 O5 -","- C15 H13 Mo N3 O5 -","- C120 H104 Mo8 N24 O40 -","8","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.0885","0.0532","","","0.092","0.1021","","","","","","1.07","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058982","11.1432","0.0004","11.2429","0.0005","15.1531","0.0007","90","","102.582","0.004","90","","1852.82","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Mo N3 O6 -","- C17 H19 Mo N3 O6 -","- C68 H76 Mo4 N12 O24 -","4","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.0815","0.0463","","","0.1046","0.12","","","","","","1.002","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058983","18.7152","0.0005","10.34234","0.00023","16.08785","0.00033","90","","102.558","0.0019","90","","3039.45","0.12","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Mo N3 O5 -","- C15 H13 Mo N3 O5 -","- C120 H104 Mo8 N24 O40 -","8","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058984","7.7385","0.0003","21.167","0.0006","10.5127","0.0005","90","","98.484","0.004","90","","1703.15","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C64 H68 Mo4 N12 O24 -","4","1","","Cvijanović, Danijela; Pisk, Jana; Pavlović, Gordana; Šišak-Jung, Dubravka; Matković-Čalogović, Dubravka; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja","Discrete mononuclear and dinuclear compounds containing a MoO22+ core and 4-aminobenzhydrazone ligands: synthesis, structure and organic-solvent-free epoxidation activity","New Journal of Chemistry","2019","43","4","1791","","10.1039/C8NJ04074E","","","0.71073","MoKα","","0.0801","0.0505","","","0.1039","0.1144","","","","","","1.034","","","","has coordinates","223414","2020-10-21","18:00:00",""
"7058985","35.4231","0.0018","27.2363","0.0018","23.8741","0.0013","90","","90","","90","","23034","2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C50 H28 Cd3 N2 O16 -","- C50 H28 Cd3 N2 O16 -","- C400 H224 Cd24 N16 O128 -","8","0.5","","Wang, Qi; Liu, Da Jun; Cui, Li Li; Hu, Xiao-Li; Wang, Xin-Long; Su, Zhong-Min","A 3D pillared-layer metal‒organic framework with fluorescence property for detection of nitroaromatic explosives","New Journal of Chemistry","2019","43","2","963","","10.1039/C8NJ05276J","","x-ray","0.71073","MoKα","","0.0688","0.0389","","","0.1129","0.1293","","","","","","1.015","","","","has coordinates","223415","2020-10-21","18:00:00",""
"7058986","22.7056","0.001","22.7056","0.001","6.3514","0.0003","90","","90","","120","","2835.7","0.2","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C45 H35 Dy O7 -","- C45 H33 Dy O7 -","- C135 H99 Dy3 O21 -","3","0.333333","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.0236","0.0236","","","0.0587","0.0587","","","","","","1.058","","","","has coordinates","223416","2020-10-21","18:00:00",""
"7058987","27.8136","0.0007","7.879","0.0002","25.9138","0.0006","90","","108.829","0.001","90","","5374.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Cl4 Eu K O8 -","- C62 H48 Cl4 Eu K O8 -","- C248 H192 Cl16 Eu4 K4 O32 -","4","0.5","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.0305","0.0245","","","0.0582","0.0613","","","","","","1.047","","","","has coordinates","223416","2020-10-21","18:00:00",""
"7058988","28.0739","0.0008","7.8185","0.0002","25.6588","0.0007","90","","108.788","0.0008","90","","5331.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Cl4 K O8 Yb -","- C62 H48 Cl4 K O8 Yb -","- C248 H192 Cl16 K4 O32 Yb4 -","4","0.5","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.0405","0.0303","","","0.0717","0.0759","","","","","","1.086","","","","has coordinates","223416","2020-10-21","18:00:00",""
"7058989","15.0415","0.0005","15.0538","0.0006","16.1542","0.0006","78.749","0.001","66.621","0.001","74.12","0.001","3213.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C157 H120 Nd4 O22 -","- C157 H118 Nd4 O22 -","- C157 H118 Nd4 O22 -","1","0.5","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.072","0.0446","","","0.1057","0.1224","","","","","","1.027","","","","has coordinates,has disorder","223416","2020-10-21","18:00:00",""
"7058990","28.8124","0.0005","28.9292","0.0005","26.2157","0.0005","90","","104.608","0.001","90","","21144.9","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H100 Dy2 K2 O18 -","- C126 H100 Dy2 K2 O18 -","- C1008 H800 Dy16 K16 O144 -","8","1","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.0376","0.0274","","","0.0598","0.0654","","","","","","1.033","","","","has coordinates","223416","2020-10-21","18:00:00",""
"7058991","13.6797","0.0004","13.7983","0.0003","23.4521","0.0006","90","","102.938","0.001","90","","4314.36","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 Eu K O8 -","- C52 H38 Eu K O8 -","- C208 H152 Eu4 K4 O32 -","4","1","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.024","0.0199","","","0.046","0.0483","","","","","","1.053","","","","has coordinates","223416","2020-10-21","18:00:00",""
"7058992","22.165","0.0011","17.4192","0.0006","36.65","0.0018","90","","100.372","0.002","90","","13919.2","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C153.5 H122 Cl7 O25 Sm5 -","- C153.5 H117 Cl7 O25 Sm5 -","- C614 H468 Cl28 O100 Sm20 -","4","1","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.104","0.0704","","","0.1453","0.1668","","","","","","1.159","","","","has coordinates,has disorder","223416","2020-10-21","18:00:00",""
"7058993","5.575","0.0002","10.0695","0.0005","12.6027","0.0006","102.074","0.002","91.263","0.002","93.737","0.002","689.9","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N4 S8 -","- C26 H16 N4 S8 -","- C26 H16 N4 S8 -","1","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0507","0.0345","","","0.0742","0.0819","","","","","","1.025","","","","has coordinates","223417","2020-10-21","18:00:00",""
"7058994","9.7191","0.0003","23.1913","0.0009","24.733","0.0009","90","","90","","90","","5574.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 H41 Cd2 Cl27 N12 S20 -","- C65 H41 Cd2 Cl27 N12 S20 -","- C130 H82 Cd4 Cl54 N24 S40 -","2","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0605","0.055","","","0.1524","0.1601","","","","","","1.092","","","","has coordinates,has disorder","223417","2020-10-21","18:00:00",""
"7058995","15.1033","0.0006","11.0625","0.0006","28.9002","0.0015","90","","97.076","0.002","90","","4791.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Cd2 Cl6 N8 S12 -","- C32 H18 Cd2 Cl6 N8 S12 -","- C128 H72 Cd8 Cl24 N32 S48 -","4","1","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0644","0.0455","","","0.1076","0.1226","","","","","","1.061","","","","has coordinates,has disorder","223417","2020-10-21","18:00:00",""
"7058996","13.1578","0.0005","33.0511","0.0013","40.2845","0.0016","90","","90","","90","","17518.9","1.2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C28 H16 Fe N6 S10 -","- C28 H16 Fe N6 S10 -","- C448 H256 Fe16 N96 S160 -","16","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0404","0.0318","","","0.0813","0.0866","","","","","","1.037","","","","has coordinates","223417","2020-10-21","18:00:00",""
"7058997","13.2346","0.0009","32.997","0.002","40.42","0.003","90","","90","","90","","17651","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C28 H16 Mn N6 S10 -","- C28 H16 Mn N6 S10 -","- C448 H256 Mn16 N96 S160 -","16","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.1121","0.0604","","","0.1721","0.1989","","","","","","1.033","","","","has coordinates","223417","2020-10-21","18:00:00",""
"7058998","13.1462","0.0008","33.0327","0.0017","40.021","0.003","90","","90","","90","","17379.3","1.9","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C28 H16 Co N6 S10 -","- C28 H16 Co N6 S10 -","- C448 H256 Co16 N96 S160 -","16","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0809","0.0488","","","0.1347","0.1534","","","","","","1.058","","","","has coordinates","223417","2020-10-21","18:00:00",""
"7058999","13.5247","0.0008","33.182","0.004","41.083","0.005","90","","90","","90","","18437","3","173","2","173","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C29 H17 Cd Cl3 N6 S10 -","- C29 H17 Cd Cl3 N6 S10 -","- C464 H272 Cd16 Cl48 N96 S160 -","16","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0788","0.0582","","","0.1813","0.2033","","","","","","1.084","","","","has coordinates,has disorder","223417","2020-10-21","18:00:00",""
"7059000","31.6596","0.0013","17.1527","0.0006","21.3471","0.0009","90","","126.101","0.003","90","","9366.5","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H43 Cd2 Cl15 I4 N10 S16 -","- C61 H43 Cd2 Cl15 I4 N10 S16 -","- C244 H172 Cd8 Cl60 I16 N40 S64 -","4","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0645","0.0497","","","0.1327","0.1479","","","","","","1.037","","","","has coordinates,has disorder","223417","2020-10-21","18:00:00",""
"7059001","17.5072","0.0008","18.2272","0.0009","19.2922","0.0008","70.432","0.002","63.379","0.002","65.013","0.002","4907.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H45 Cd2 Cl21 N12 O13 S16 -","- C61 H45 Cd2 Cl21 N12 O13 S16 -","- C122 H90 Cd4 Cl42 N24 O26 S32 -","2","1","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0805","0.0516","","","0.1192","0.1344","","","","","","1.042","","","","has coordinates,has disorder","223417","2020-10-21","18:00:00",""
"7059002","7.0748","0.0004","8.1131","0.0004","16.9559","0.0009","90","","90","","90","","973.24","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C40 H32 N16 O8 -","4","1","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0397","0.0357","","","0.0865","0.0894","","","","","","1.052","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059003","6.5388","0.0007","18.888","0.002","15.6064","0.0018","90","","90","","90","","1927.5","0.4","150","2","150","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C80 H64 N32 O16 -","8","0.5","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0362","0.034","","","0.0896","0.0919","","","","","","1.059","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059004","9.217","0.0017","16.827","0.003","6.6121","0.0013","90","","109.778","0.004","90","","965","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C40 H32 N16 O8 -","4","1","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0406","0.0357","","","0.0938","0.0974","","","","","","1.051","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059005","9.5041","0.0012","10.9669","0.0014","9.178","0.0012","90","","94.857","0.003","90","","953.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C40 H32 N16 O8 -","4","1","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0341","0.0313","","","0.0837","0.0863","","","","","","1.044","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059006","7.6034","0.0004","14.7108","0.0007","8.7184","0.0004","90","","100.023","0.002","90","","960.29","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C40 H32 N16 O8 -","4","1","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0427","0.0387","","","0.1017","0.1045","","","","","","1.068","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059007","9.5165","0.0009","8.7913","0.0008","20.3743","0.0019","90","","90","","90","","1704.6","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H15 Cl N12 O5 -","- C9 H15 Cl N12 O5 -","- C36 H60 Cl4 N48 O20 -","4","1","","Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo","New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04519H","","","0.71073","MoKα","","0.0921","0.0473","","","0.1028","0.1201","","","","","","1.002","","","","has coordinates","223440","2020-10-21","18:00:00",""
"7059008","7.2659","0.0009","9.2453","0.0014","11.8288","0.0016","72.19","0.002","86.574","0.003","84.812","0.003","752.99","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Cl N11 O4 -","- C9 H12 Cl N11 O4 -","- C18 H24 Cl2 N22 O8 -","2","1","","Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo","New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04519H","","","1.54178","CuKα","","0.0939","0.0533","","","0.1243","0.1447","","","","","","0.979","","","","has coordinates,has disorder","223440","2020-10-21","18:00:00",""
"7059009","8.254","0.0007","9.5081","0.0008","16.5219","0.0013","90","","110.991","0.003","90","","1210.59","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N11 -","- C9 H11 N11 -","- C36 H44 N44 -","4","1","","Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo","New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04519H","","","1.54178","CuKα","","0.1637","0.0666","","","0.1261","0.1669","","","","","","0.888","","","","has coordinates","223440","2020-10-21","18:00:00",""
"7059010","5.112","0.0005","25.16","0.002","9.8231","0.0009","90","","96.65","0.002","90","","1254.9","0.2","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cl N9 O5 -","- C6 H8 Cl N9 O5 -","- C24 H32 Cl4 N36 O20 -","4","1","","Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo","New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04519H","","","0.71073","MoKα","","0.165","0.1039","","","0.2325","0.2616","","","","","","1.079","","","","has coordinates","223440","2020-10-21","18:00:00",""
"7059011","12.741","0.005","14.392","0.005","13.389","0.005","90","0.005","118.23","0.005","90","0.005","2163.1","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H34 Cl Co2 N6 O11 -","- C40 H34 Cl Co2 N6 O11 -","- C80 H68 Cl2 Co4 N12 O22 -","2","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh","Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03236C","","","0.71073","MoKα","","0.13","0.0645","","","0.1331","0.1637","","","","","","0.979","","","","has coordinates,has disorder","223441","2020-10-21","18:00:00",""
"7059012","11.051","0.005","15.773","0.005","26.463","0.005","90","0.005","90","0.005","90","0.005","4613","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cl Co2 N4 O13 -","- C44 H40 Cl Co2 N4 O13 -","- C176 H160 Cl4 Co8 N16 O52 -","4","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh","Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03236C","","","0.71073","MoKα","","0.0968","0.0687","","","0.1851","0.2061","","","","","","1.013","","","","has coordinates,has disorder","223441","2020-10-21","18:00:00",""
"7059013","12.812","0.002","14.057","0.003","13.575","0.003","90","","114.454","0.005","90","","2225.5","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H34 Cl Co2 N6 O11 -","- C44 H34 Cl Co2 N6 O11 -","- C88 H68 Cl2 Co4 N12 O22 -","2","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh","Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03236C","","","0.71073","MoKα","","0.0806","0.0646","","","0.1556","0.1668","","","","","","1.221","","","","has coordinates","223441","2020-10-21","18:00:00",""
"7059014","9.1319","0.0005","16.1033","0.0009","16.1653","0.001","90.977","0.002","103.848","0.002","95.964","0.002","2293.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H54 N12 O13 S3 -","- C35 H54 N12 O13 S3 -","- C70 H108 N24 O26 S6 -","2","1","","Peng, Panpan; Hu, Baoping; Lu, Feipeng; Du, Yao; Zhao, Chaofeng; Su, Hui; zhang, pengcheng; Li, Sheng-Hua; Pang, Si-Ping","Synthesis of Energetic Salts Containing Three Heterocyclic Anions by One-Pot Condensation Reaction","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03857D","","","0.71073","MoKα","","0.1284","0.069","","","0.1184","0.1364","","","","","","1.035","","","","has coordinates","223442","2020-10-21","18:00:00",""
"7059015","9.4516","0.0004","17.5281","0.0006","8.3971","0.0003","90","","118.831","0.001","90","","1218.7","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H13 Br O2 Se -","- C11 H13 Br O2 Se -","- C44 H52 Br4 O8 Se4 -","4","1","","Musalov, Maxim V.; Yakimov, Vladimir A.; Potapov, Vladimir A.; Amosova, Svetlana V.; Borodina, Tatiana; Zinchenko, Sergey V.","A novel methodology for the synthesis of condensed selenium heterocycles based on the annulation and annulation − methoxylation reactions of selenium dihalides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04707G","","","0.71073","MoKα","","0.0516","0.0316","","","0.0791","0.0986","","","","","","1.159","","","","has coordinates","223443","2020-10-21","18:00:00",""
"7059016","12.3669","0.0006","6.1164","0.0003","15.6194","0.0007","90","","91.018","0.002","90","","1181.28","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.98 H15.55 O3 Se -","- C11.982 H15.548 O3 Se -","- C47.928 H62.192 O12 Se4 -","4","1","","Musalov, Maxim V.; Yakimov, Vladimir A.; Potapov, Vladimir A.; Amosova, Svetlana V.; Borodina, Tatiana; Zinchenko, Sergey V.","A novel methodology for the synthesis of condensed selenium heterocycles based on the annulation and annulation − methoxylation reactions of selenium dihalides","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04707G","","","0.71073","MoKα","","0.0321","0.0297","","","0.0723","0.0734","","","","","","1.08","","","","has coordinates,has disorder","223443","2020-10-21","18:00:00",""
"7059017","7.1519","0.0014","10.616","0.002","13.902","0.003","90","","90","","90","","1055.5","0.4","153","2","153.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N5 O2 -","- C11 H7 N5 O2 -","- C44 H28 N20 O8 -","4","1","","Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai","TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04613E","","","0.71073","MoKα","","0.0551","0.0519","","","0.1215","0.1388","","","","","","1.183","","","","has coordinates","223444","2020-10-21","18:00:00",""
"7059018","4.5338","0.0009","12.919","0.003","16.167","0.003","90","","90","","90","","946.9","0.3","153","2","153.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai","TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04613E","","","0.71073","MoKα","","0.0528","0.048","","","0.1095","0.1129","","","","","","1.12","","","","has coordinates","223444","2020-10-21","18:00:00",""
"7059019","17.868","0.004","6.8028","0.0014","15.914","0.003","90","","104.01","0.03","90","","1876.8","0.7","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N14 O5 -","- C14 H10 N14 O5 -","- C56 H40 N56 O20 -","4","1","","Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai","TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04613E","","","0.71073","MoKα","","0.1167","0.0945","","","0.1788","0.1917","","","","","","1.239","","","","has coordinates,has disorder","223444","2020-10-21","18:00:00",""
"7059020","10.3905","0.0015","13.625","0.002","14.473","0.002","114.58","0.005","95.293","0.005","99.218","0.005","1810.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Br2 Fe2 N4 O6 Ru2 -","- C38 H22 Br2 Fe2 N4 O6 Ru2 -","- C76 H44 Br4 Fe4 N8 O12 Ru4 -","2","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0259","0.0215","","","0.0505","0.0526","","","","","","1.042","","","","has coordinates","225388","2020-10-21","18:00:00",""
"7059021","18.146","0.003","10.6229","0.0015","25.999","0.005","90","","105.869","0.005","90","","4820.7","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O9 Ru3 -","- C22 H15 N O9 Ru3 -","- C176 H120 N8 O72 Ru24 -","8","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0342","0.0276","","","0.0641","0.0693","","","","","","1.108","","","","has coordinates,has disorder","225388","2020-10-21","18:00:00",""
"7059022","8.1837","0.0015","9.6603","0.0017","15.13","0.003","97.804","0.006","94.587","0.006","106.052","0.005","1130.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H10 N2 O8 Ru3 -","- C22 H10 N2 O8 Ru3 -","- C44 H20 N4 O16 Ru6 -","2","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0165","0.0156","","","0.0393","0.04","","","","","","1.153","","","","has coordinates","225388","2020-10-21","18:00:00",""
"7059023","17.721","0.005","8.302","0.002","16.368","0.004","90","","104.13","0.009","90","","2335.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H11 N O9 Ru3 -","- C22 H11 N O9 Ru3 -","- C88 H44 N4 O36 Ru12 -","4","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0959","0.095","","","0.2417","0.2421","","","","","","1.401","","","","has coordinates,has disorder","225388","2020-10-21","18:00:00",""
"7059024","9.436","0.0005","10.9568","0.0005","12.7636","0.0006","77.112","0.001","71.33","0.001","81.103","0.001","1213.71","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 N2 O10 Ru3 -","- C24 H10 N2 O10 Ru3 -","- C48 H20 N4 O20 Ru6 -","2","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0216","0.021","","","0.0521","0.0525","","","","","","1.107","","","","has coordinates","225388","2020-10-21","18:00:00",""
"7059025","13.0521","0.0017","11.6759","0.0016","16.604","0.003","90","","92.248","0.005","90","","2528.4","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O9 Ru3 -","- C22 H17 N O9 Ru3 -","- C88 H68 N4 O36 Ru12 -","4","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0255","0.0207","","","0.0442","0.0464","","","","","","1.074","","","","has coordinates,has disorder","225388","2020-10-21","18:00:00",""
"7059026","35.283","0.012","8.632","0.003","16.713","0.005","90","","114.304","0.01","90","","4639","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H9 Br N2 O8 Ru3 -","- C21 H9 Br N2 O8 Ru3 -","- C168 H72 Br8 N16 O64 Ru24 -","8","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0259","0.0205","","","0.0484","0.051","","","","","","1.075","","","","has coordinates","225388","2020-10-21","18:00:00",""
"7059027","7.6301","0.0014","10.238","0.002","19.359","0.004","79.718","0.006","86.238","0.006","86.842","0.006","1483.3","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C24.5 H17 Br Cl2 N2 O8 Ru3 -","- C24.5 H17 Br Cl2 N2 O8 Ru3 -","- C49 H34 Br2 Cl4 N4 O16 Ru6 -","2","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.026","0.0234","","","0.0584","0.0601","","","","","","1.051","","","","has coordinates,has disorder","225388","2020-10-21","18:00:00",""
"7059028","8.0005","0.0016","11.922","0.002","14.299","0.003","91.869","0.007","94.132","0.007","106.036","0.007","1305.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H11 Br Cl2 N2 O9 Ru3 -","- C22 H11 Br Cl2 N2 O9 Ru3 -","- C44 H22 Br2 Cl4 N4 O18 Ru6 -","2","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0415","0.03","","","0.066","0.0702","","","","","","1.025","","","","has coordinates","225388","2020-10-21","18:00:00",""
"7059029","8.1534","0.0015","9.9791","0.0019","14.213","0.003","91.735","0.005","94.157","0.005","102.6","0.005","1124.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H11 N O8 Ru3 -","- C22 H11 N O8 Ru3 -","- C44 H22 N2 O16 Ru6 -","2","1","","Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei","Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04958D","","","0.71073","MoKα","","0.0166","0.0163","","","0.0411","0.0413","","","","","","1.136","","","","has coordinates","225388","2020-10-21","18:00:00",""
"7059030","7.006","0.0006","18.24","0.0017","12.5016","0.0011","90","","97.953","0.004","90","","1582.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Camuenho, Ambrósio; Jorge Parola, A.; Alejo-Armijo, Alfonso; Pandian, Ramesh; Gomes, Clara S. B.; Laia, César A. T.; Pina, Fernando","A model compound for pyridinechalcone-based multistate systems. Ring opening-closure as the slowest kinetic step of the multistate","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04776J","","","0.71073","MoKα","","0.1293","0.0668","","","0.1542","0.1706","","","","","","1.078","","","","has coordinates","225409","2020-10-21","18:00:00",""
"7059031","21.6307","0.0004","21.6307","0.0004","17.8974","0.0007","90","","90","","90","","8374","0.4","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H179 Gd9 N16 O47 -","- C144 H168 Gd9 N16 O42 -","- C288 H336 Gd18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.1013","0.0758","","","0.1704","0.1829","","","","","","1.145","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059032","21.6995","0.0003","21.6995","0.0003","17.9503","0.0007","90","","90","","90","","8452.2","0.4","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H173 Eu9 N16 O44 -","- C144 H168 Eu9 N16 O42 -","- C288 H336 Eu18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.1087","0.0758","","","0.156","0.1755","","","","","","1.085","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059033","21.5916","0.0003","21.5916","0.0003","17.8737","0.0004","90","","90","","90","","8332.7","0.2","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H177 N16 O46 Tb9 -","- C144 H168 N16 O42 Tb9 -","- C288 H336 N32 O84 Tb18 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.0592","0.0403","","","0.0862","0.0982","","","","","","1.065","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059034","21.6913","0.0004","21.6913","0.0004","17.8971","0.0007","90","","90","","90","","8420.8","0.4","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H175 Ho9 N16 O45 -","- C144 H168 Ho9 N16 O42 -","- C288 H336 Ho18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.0877","0.0548","","","0.0985","0.1131","","","","","","0.827","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059035","21.5445","0.0003","21.5445","0.0003","17.8651","0.0006","90","","90","","90","","8292.4","0.3","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H183 Dy9 N16 O49 -","- C144 H168 Dy9 N16 O42 -","- C288 H336 Dy18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.0614","0.0471","","","0.1056","0.1133","","","","","","1.096","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059036","6.0163","0.0005","7.4951","0.0005","13.488","0.0012","105.57","0.006","100.446","0.007","93.766","0.006","571.97","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","6,6'-((1E,1'E)-(ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(3-(diethylamino)phenol)","","- C24 H34 N4 O2 -","- C24 H34 N4 O2 -","- C24 H34 N4 O2 -","1","0.5","","Rocha, Mariana; Ruiz, María Carolina; Echeverría, Gustavo A.; Piro, Oscar E.; Leon, Ignacio; Di Virgilio, Ana Laura; Frontera, Antonio; Gil, Diego Mauricio","Diethylaminophenyl-based Schiff base Cu(II) and V(IV) complexes: experimental and theoretical study and cytotoxicity assays","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04975D","","x-ray","0.71073","MoKα","","0.0994","0.0537","","","0.1115","0.1403","","","","","","1.022","","","","has coordinates","227688","2020-10-21","18:00:00",""
"7059037","19.5737","0.0008","9.8513","0.0004","12.4452","0.0004","90","","93.654","0.003","90","","2394.88","0.16","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6,6'-((1E,1'E)-(ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(3-(diethylamino)phenolato) copper (II) monohydrate","","- C24 H34 Cu N4 O3 -","- C24 H34 Cu N4 O3 -","- C96 H136 Cu4 N16 O12 -","4","0.5","","Rocha, Mariana; Ruiz, María Carolina; Echeverría, Gustavo A.; Piro, Oscar E.; Leon, Ignacio; Di Virgilio, Ana Laura; Frontera, Antonio; Gil, Diego Mauricio","Diethylaminophenyl-based Schiff base Cu(II) and V(IV) complexes: experimental and theoretical study and cytotoxicity assays","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04975D","","x-ray","0.71073","MoKα","","0.0474","0.0406","","","0.1035","0.1098","","","","","","1.037","","","","has coordinates","227688","2020-10-21","18:00:00",""
"7059047","13.7277","0.0003","19.2901","0.0005","23.1243","0.0006","66.352","0.002","74.863","0.002","89.576","0.002","5381.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H104 Cl6 K2 N36 O12 -","- C102 H104 Cl6 K2 N36 O12 -","- C204 H208 Cl12 K4 N72 O24 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Osipov, Nikita G.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Molecular structure, optical and magnetic properties of free-base tetrapyrazinoporphyrazine in various reduction states","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04775A","","x-ray","0.71073","MoKα","","0.0902","0.0627","","","0.1555","0.1731","","","","","","1.013","","","","has coordinates,has disorder","227934","2020-10-21","18:00:00",""
"7059048","9.8535","0.0003","15.7516","0.0007","24.2437","0.0011","102.29","0.004","99.291","0.003","95.73","0.003","3593","0.3","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H86 Cl2 K2 N20 O12 -","- C66 H86 Cl2 K2 N20 O12 -","- C132 H172 Cl4 K4 N40 O24 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Osipov, Nikita G.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Molecular structure, optical and magnetic properties of free-base tetrapyrazinoporphyrazine in various reduction states","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04775A","","x-ray","0.71073","MoKα","","0.1626","0.0677","","","0.1019","0.1378","","","","","","1.031","","","","has coordinates","227934","2020-10-21","18:00:00",""
"7059049","13.2775","0.0003","18.5439","0.0005","23.0154","0.0005","108.314","0.002","94.677","0.002","110.394","0.002","4925","0.2","115","6","115","6","","","","","","","","7","P -1","-P 1","2","","","","- C92 H104 Cl6 Fe2 K2 N20 O16 -","- C74 H92 Fe2 K2 N20 O16 -","- C148 H184 Fe4 K4 N40 O32 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Osipov, Nikita G.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Molecular structure, optical and magnetic properties of free-base tetrapyrazinoporphyrazine in various reduction states","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04775A","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1184","0.1276","","","","","","1.018","","","","has coordinates,has disorder","227934","2020-10-21","18:00:00",""
"7059050","10.514","0.0003","13.132","0.0005","15.758","0.0006","94.242","0.002","103.849","0.002","111.844","0.002","1928.43","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H55.31 Cl2 N14 O10.65 -","- C27 H55.308 Cl2 N14 O10.654 -","- C54 H110.616 Cl4 N28 O21.308 -","2","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.0891","0.056","","","0.1257","0.1416","","","","","","1.031","","","","has coordinates,has disorder","227935","2020-10-21","18:00:00",""
"7059051","19.1317","0.0008","13.691","0.0006","19.687","0.0008","90","","114.465","0.002","90","","4693.7","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H64 N20 O23 -","- C27 H64 N20 O23 -","- C108 H256 N80 O92 -","4","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.1368","0.0594","","","0.1472","0.1939","","","","","","1.009","","","","has coordinates,has disorder","227935","2020-10-21","18:00:00",""
"7059052","14.8632","0.0002","20.1186","0.0002","24.797","0.0004","90","","112.325","0.001","90","","6859.17","0.17","288.15","","288.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H88 N14 O48 P11 -","- C27 H88.0011 N14 O48 P11 -","- C108 H352.004 N56 O192 P44 -","4","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","1.54184","CuKα","","0.0884","0.0741","","","0.2239","0.2432","","","","","","1.058","","","","has coordinates,has disorder","227935","2020-10-21","18:00:00",""
"7059053","12.6927","0.0004","15.1722","0.0005","17.0426","0.0005","96.081","0.003","90.171","0.003","109.012","0.003","3083.05","0.18","120","0.1","120","0.1","","","","","","","","7","P 1","P 1","1","","","","- C31 H68 As3 F12 N14 O27 S4 -","- C31 H68 As3 F12 N14 O27 S4 -","- C62 H136 As6 F24 N28 O54 S8 -","2","2","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","x-ray","0.71073","MoKα","","0.0628","0.0553","","","0.1351","0.142","","","","","","1.021","","","","has coordinates,has disorder","227935","2020-10-21","18:00:00",""
"7059054","13.816","0.001","13.97","0.001","28.683","0.001","90","","90","","90","","5536.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H63 Cl7 N14 O32 -","- C27 H63 Cl7 N14 O32 -","- C108 H252 Cl28 N56 O128 -","4","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.1542","0.0923","","","0.2567","0.2928","","","","","","1.04","","","","has coordinates","227935","2020-10-21","18:00:00",""
"7059055","11.4324","0.0002","17.2812","0.0003","26.4489","0.0004","90","","96.713","0.001","90","","5189.57","0.15","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H72 N14 O30 S6 -","- C27 H72 N14 O30 S6 -","- C108 H288 N56 O120 S24 -","4","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.1236","0.0553","","","0.1309","0.1604","","","","","","1.009","","","","has coordinates,has disorder","227935","2020-10-21","18:00:00",""
"7059056","50.9218","0.001","11.2705","0.0004","18.591","0.0005","90","","90","","90","","10669.6","0.5","120.05","0.1","120.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H82 N14 O32 P6 -","- C27 H82 N14 O32 P6 -","- C216 H656 N112 O256 P48 -","8","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.1644","0.1396","","","0.2466","0.2588","","","","","","1.197","","","","has coordinates","227935","2020-10-21","18:00:00",""
"7059057","8.816","0.0003","10.8974","0.0004","11.8642","0.0004","105.415","0.003","107.187","0.003","94.746","0.003","1033.52","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 I2 N14 S2 -","- C38 H32 Cu2 I2 N14 S2 -","- C38 H32 Cu2 I2 N14 S2 -","1","0.5","","Jin, Jinjin; Hu, Jiyong; Qin, Yue; Zhang, Junshuai; Zhao, Jin'an; Yue, Liang; Hou, Hongwei","In vitro and in vivo anticancer activity of thiourea tripyridyl dinuclear Cu(II) complex","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03371H","","x-ray","1.54184","CuKα","","0.0294","0.0293","","","0.0791","0.0792","","","","","","1.066","","","","has coordinates","227936","2020-10-21","18:00:00",""
"7059061","16.7993","0.0005","21.8519","0.0007","21.1006","0.0007","90","","96.051","0.001","90","","7702.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H180 Gd4 N16 O16 -","- C156 H174 Gd4 N14 O16 -","- C312 H348 Gd8 N28 O32 -","2","0.5","","Yu, Hong; Cao, Jia-Miao; Zhang, Jun-Rui; Li, Rui-Cong; Cheng, Yan; Yang, Chen; Hou, Yin-Ling; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of four tetranuclear lanthanide (Ln = GdIII, TbIII, DyIII) clusters","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04260A","","","0.71073","MoKα","","0.0446","0.0337","","","0.0787","0.089","","","","","","1.074","","","","has coordinates,has disorder","231070","2020-10-21","18:00:00",""
"7059062","16.9504","0.0009","17.242","0.0009","17.931","0.0009","117.432","0.002","90.789","0.002","104.152","0.002","4461.2","0.4","150","2","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C194 H196 Cl4 Gd4 N20 O16 -","- C194 H196 Cl4 Gd4 N20 O16 -","- C194 H196 Cl4 Gd4 N20 O16 -","1","0.5","","Yu, Hong; Cao, Jia-Miao; Zhang, Jun-Rui; Li, Rui-Cong; Cheng, Yan; Yang, Chen; Hou, Yin-Ling; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of four tetranuclear lanthanide (Ln = GdIII, TbIII, DyIII) clusters","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04260A","","","0.71073","MoKα","","0.0761","0.0527","","","0.1451","0.17","","","","","","1.032","","","","has coordinates","231070","2020-10-21","18:00:00",""
"7059063","16.876","0.002","24.925","0.003","19.267","0.002","90","","101.213","0.003","90","","7949.7","1.6","386","2","386.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H168 N16 O16 Tb4 -","- C160 H168 N16 O16 Tb4 -","- C320 H336 N32 O32 Tb8 -","2","0.5","","Yu, Hong; Cao, Jia-Miao; Zhang, Jun-Rui; Li, Rui-Cong; Cheng, Yan; Yang, Chen; Hou, Yin-Ling; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of four tetranuclear lanthanide (Ln = GdIII, TbIII, DyIII) clusters","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04260A","","","0.71073","MoKα","","0.0941","0.0692","","","0.1821","0.2037","","","","","","1.084","","","","has coordinates","231070","2020-10-21","18:00:00",""
"7059064","17.01","0.003","20.099","0.004","24.22","0.003","98.158","0.003","93.186","0.003","110.613","0.004","7622","2","386","2","386.3","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H171 Dy4 N13 O16 -","- C154 H171 Dy4 N13 O16 -","- C308 H342 Dy8 N26 O32 -","2","1","","Yu, Hong; Cao, Jia-Miao; Zhang, Jun-Rui; Li, Rui-Cong; Cheng, Yan; Yang, Chen; Hou, Yin-Ling; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of four tetranuclear lanthanide (Ln = GdIII, TbIII, DyIII) clusters","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04260A","","","0.71073","MoKα","","0.0957","0.0788","","","0.2298","0.2397","","","","","","1.09","","","","has coordinates,has disorder","231070","2020-10-21","18:00:00",""
"7059132","9.4219","0.0005","11.2451","0.0006","11.982","0.0007","78.5909","0.0017","75.118","0.0017","66.3817","0.0017","1117.66","0.11","100","","100","","","","","","","","crystallization","6","P -1","-P 1","2","bis(2-hydroxyethylpyridinium) [(decaaqua)(mu-decavanadato)dicobalt(II)]ate tetrahydrate","bis(2-hydroxyethylpyridinium) [(decaaqua)(mu-decavanadato)dicobalt(II)]ate tetrahydrate","","- C14 H48 Co2 N2 O44 V10 -","- C14 H48 Co2 N2 O44 V10 -","- C14 H48 Co2 N2 O44 V10 -","1","0.5","","Krivosudský, Lukáš; Roller, Alexander; Rompel, Annette","Tuning the interactions of decavanadate with thaumatin, lysozyme, proteinase K and human serum proteins by its coordination to a pentaaquacobalt(ii) complex cation","New Journal of Chemistry","2019","43","45","17863","","10.1039/C9NJ02495F","","x-ray","1.54178","CuKα","","0.0992","0.0982","","","0.2196","0.2218","","","","","","1.157","","","","has coordinates","237917","2020-10-21","18:00:00",""
"7059133","27.0345","0.0015","9.917","0.0005","20.5851","0.0012","90","","119.341","0.005","90","","4810.9","0.5","100","","100","","","","","","","","crystallization","6","C 1 2/c 1","-C 2yc","15","'(2-hydroxyethylpyridinium)(ammonium) [(tetraaqua)(bis(2-hydroxyethylpyridine))(mu-decavanadato)dicopper(II)]ate tetrahydrate'","'(2-hydroxyethylpyridinium)(ammonium) [(tetraaqua)(bis(2-hydroxyethylpyridine))(mu-decavanadato)dicopper(II)]ate tetrahydrate'","","- C21 H36 Cu2 N4 O39 V10 -","- C21 H36 Cu2 N4 O39 V10 -","- C84 H144 Cu8 N16 O156 V40 -","4","0.5","","Krivosudský, Lukáš; Roller, Alexander; Rompel, Annette","Tuning the interactions of decavanadate with thaumatin, lysozyme, proteinase K and human serum proteins by its coordination to a pentaaquacobalt(ii) complex cation","New Journal of Chemistry","2019","43","45","17863","","10.1039/C9NJ02495F","","x-ray","0.71073","MoKα","","0.0293","0.0244","","","0.0675","0.0705","","","","","","1.098","","","","has coordinates,has disorder","237917","2020-10-21","18:00:00",""
"7059134","14.5418","0.0012","14.5418","0.0012","6.6076","0.0008","90","","90","","120","","1210.1","0.2","190","2","190","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Hexamethylbenzene . Tetrafluoro-1,4-benzoquinone","Hexamethylbenzene . Tetrafluoro-1,4-benzoquinone","","- C18 H18 F4 O2 -","- C18 H18 F3.9996 O1.9998 -","- C54 H54 F11.9988 O5.9994 -","3","0.0833333","","Rather, Sumair A.; Saraswatula, Viswanadha G.; Sharada, Durgam; Saha, Binoy K.","Influence of molecular width on the thermal expansion in solids","New Journal of Chemistry","2019","43","44","17146","","10.1039/C9NJ04888J","","","0.71073","MoKα","","0.0622","0.044","","","0.105","0.1166","","","","","","1.085","","","","has coordinates,has disorder","237919","2020-10-21","18:00:00",""
"7059135","14.6259","0.0012","14.6259","0.0012","6.7359","0.0006","90","","90","","120","","1247.88","0.18","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Hexamethylbenzene . Tetrafluoro-1,4-benzoquinone","Hexamethylbenzene . Tetrafluoro-1,4-benzoquinone","","- C18 H18 F4 O2 -","- C18 H18 F3.9996 O1.9998 -","- C54 H54 F11.9988 O5.9994 -","3","0.0833333","","Rather, Sumair A.; Saraswatula, Viswanadha G.; Sharada, Durgam; Saha, Binoy K.","Influence of molecular width on the thermal expansion in solids","New Journal of Chemistry","2019","43","44","17146","","10.1039/C9NJ04888J","","","0.71073","MoKα","","0.0834","0.053","","","0.1293","0.1561","","","","","","1.042","","","","has coordinates,has disorder","237919","2020-10-21","18:00:00",""
"7059136","6.6469","0.0004","8.4809","0.0006","16.2117","0.0012","93.121","0.006","95.577","0.006","101.583","0.006","888.46","0.11","118","2","118","2","","","","","","","","4","P -1","-P 1","2","Pyrene . 1,3,5-trinitrobenzene","Pyrene . 1,3,5-trinitrobenzene","","- C22 H13 N3 O6 -","- C22 H13 N3 O6 -","- C44 H26 N6 O12 -","2","1","","Rather, Sumair A.; Saraswatula, Viswanadha G.; Sharada, Durgam; Saha, Binoy K.","Influence of molecular width on the thermal expansion in solids","New Journal of Chemistry","2019","43","44","17146","","10.1039/C9NJ04888J","","","0.71073","MoKα","","0.0614","0.0441","","","0.1039","0.1159","","","","","","1.061","","","","has coordinates","237919","2020-10-21","18:00:00",""
"7059137","6.7752","0.0005","8.5522","0.0009","16.355","0.0015","93.041","0.008","95.628","0.007","101.281","0.007","922.33","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Pyrene . 1,3,5-trinitrobenzene","Pyrene . 1,3,5-trinitrobenzene","","- C22 H13 N3 O6 -","- C22 H13 N3 O6 -","- C44 H26 N6 O12 -","2","1","","Rather, Sumair A.; Saraswatula, Viswanadha G.; Sharada, Durgam; Saha, Binoy K.","Influence of molecular width on the thermal expansion in solids","New Journal of Chemistry","2019","43","44","17146","","10.1039/C9NJ04888J","","","0.71073","MoKα","","0.1238","0.0571","","","0.1273","0.1656","","","","","","1.009","","","","has coordinates","237919","2020-10-21","18:00:00",""
"7122703","16.2829","0.0011","5.5494","0.0003","16.4604","0.001","90","","113.418","0.004","90","","1364.85","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBDA-4 or β-truxinic acid","(1R,2S,3R,4S)-rel-3,4-diphenyl-cyclobutane-1,2- dicarboxylic acid","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Amjaour, Houssein; Wang, Zhihan; Mabin, Micah; Puttkammer, Jenna; Busch, Sullivan; Chu, Qianli R.","Scalable preparation and property investigation of a cis-cyclobutane-1,2-dicarboxylic acid from β-trans-cinnamic acid","Chemical Communications","2019","","","","","10.1039/C8CC08017H","","","0.71073","MoKα","","0.0362","0.033","","","0.1284","0.1395","","","","","","1.216","","","","has coordinates","212416","2020-10-21","18:00:00",""
"7122707","18.469","0.004","19.153","0.004","22.78","0.005","90","","90","","90","","8058","3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H56 Eu I2 N2 O4 -","- C37 H56 Eu I2 N2 O4 -","- C296 H448 Eu8 I16 N16 O32 -","8","1","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.0636","0.0419","","","0.1033","0.1144","","","","","","1.007","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122708","8.7081","0.0006","24.238","0.003","16.4401","0.0012","90","","100.78","0.006","90","","3408.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Eu I2 N4 O10 -","- C68 H96 Eu I2 N4 O10 -","- C136 H192 Eu2 I4 N8 O20 -","2","0.5","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.1514","0.0864","","","0.2148","0.2802","","","","","","1.061","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122709","18.494","0.004","19.122","0.004","22.718","0.005","90","","90","","90","","8034","3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H56 I2 N2 O4 Yb -","- C37 H56 I2 N2 O4 Yb -","- C296 H448 I16 N16 O32 Yb8 -","8","1","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.051","0.031","","","0.0672","0.0713","","","","","","0.941","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122710","10.944","0.0008","11.7197","0.0012","15.4166","0.0012","67.716","0.007","75.423","0.006","78.241","0.007","1757.8","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H96 I2 N4 O10 Yb -","- C68 H96 I2 N4 O10 Yb -","- C68 H96 I2 N4 O10 Yb -","1","0.5","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.0377","0.033","","","0.0803","0.0824","","","","","","1.046","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122711","14.731","0.003","43.007","0.009","16.43","0.003","90","","92.3","0.03","90","","10401","4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H144 Eu I2 N6 O9 -","- C96 H132 Eu I2 N6 O9 -","- C384 H528 Eu4 I8 N24 O36 -","4","1","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.0441","0.0324","","","0.0806","0.0862","","","","","","1.024","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122712","14.6152","0.0002","42.7426","0.0006","16.4556","0.0002","90","","92.295","0.001","90","","10271.4","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H144 I2 N6 O9 Yb -","- C96 H132 I2 N6 O9 Yb -","- C384 H528 I8 N24 O36 Yb4 -","4","1","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.0478","0.0342","","","0.0859","0.0911","","","","","","1.026","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122718","9.2962","0.0007","9.3721","0.0008","9.4578","0.0007","90.096","0.006","109.097","0.007","101.608","0.007","760.7","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Cl N3 -","- C18 H14 Cl N3 -","- C36 H28 Cl2 N6 -","2","1","","Li, Ting; Yang, Yuhan; Li, Bo; Yang, Ping","Cobalt-catalyzed cross-dehydrogenative coupling between N-(2-pyridyl) and free indoles for the synthesis of unsymmetrical 2,2′-biindoles","Chemical Communications","2019","","","","","10.1039/C8CC07659F","","","0.71073","MoKα","","0.0405","0.037","","","0.1328","0.1398","","","","","","1.102","","","","has coordinates","212535","2020-10-21","18:00:00",""
"7122742","7.436","0.007","13.238","0.012","25.73","0.02","90","","90","","90","","2533","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O5 -","- C25 H26 Br N3 O5 -","- C100 H104 Br4 N12 O20 -","4","1","","Suga, Hiroyuki; Yoshiwara, Masahiro; Yamaguchi, Takaaki; Bando, Takashi; Taguchi, Mizuki; Inaba, Ayano; Goto, Yuichi; Kikuchi, Ayaka; Itoh, Kennosuke; Toda, Yasunori","Enantioselective synthesis of 8-azabicyclo[3.2.1]octanes via asymmetric 1,3-dipolar cycloadditions of cyclic azomethine ylides using a dual catalytic system","Chemical Communications","2019","","","","","10.1039/C8CC09224A","","","0.71073","MoKα","","0.0752","0.0454","","","0.1065","0.1239","","","","","","1.018","","","","has coordinates","212641","2020-10-21","18:00:00",""
"7122767","10.441","0.006","11.776","0.006","12.121","0.007","76.44","0.02","80.25","0.02","76.74","0.02","1399.6","1.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H38 O Si2 -","- C31 H38 O Si2 -","- C62 H76 O2 Si4 -","2","1","","Shintani, Ryo; Kishikawa, Shinnosuke; Nakamura, Kimihiro; Tsuda, Tomohiro; Nozaki, Kyoko","Synthesis of carbonyl-bridged dibenzofulvalenes and related compounds by rhodium-catalyzed stitching reaction.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09943j","","","0.71075","MoKα","","0.1535","0.0966","","","0.1618","0.1881","","","","","","1.08","","","","has coordinates","212895","2020-10-21","18:00:00",""
"7122768","16.8701","0.0006","16.9405","0.0006","18.3624","0.0003","100.752","0.002","100.803","0.002","119.398","0.004","4246.4","0.3","113","","113","","","","","","","","","3","P -1","-P 1","2","","Ge","","- C26 H28 Ge -","- C26 H28 Ge -","- C208 H224 Ge8 -","8","4","","Shintani, Ryo; Kishikawa, Shinnosuke; Nakamura, Kimihiro; Tsuda, Tomohiro; Nozaki, Kyoko","Synthesis of carbonyl-bridged dibenzofulvalenes and related compounds by rhodium-catalyzed stitching reaction.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09943j","","","0.71073","MoKα","","0.0445","0.0297","","","0.063","0.0648","","","","","","0.979","","","","has coordinates,has disorder","212895","2020-10-21","18:00:00",""
"7122769","10.249","0.002","11.586","0.003","12.434","0.003","82.379","0.009","77.407","0.008","85.599","0.008","1426.5","0.6","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 O2 S Si2 -","- C30 H38 O2 S Si2 -","- C60 H76 O4 S2 Si4 -","2","1","","Shintani, Ryo; Kishikawa, Shinnosuke; Nakamura, Kimihiro; Tsuda, Tomohiro; Nozaki, Kyoko","Synthesis of carbonyl-bridged dibenzofulvalenes and related compounds by rhodium-catalyzed stitching reaction.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09943j","","","0.71075","MoKα","","0.0372","0.0357","","","0.0874","0.0884","","","","","","1.068","","","","has coordinates","212895","2020-10-21","18:00:00",""
"7122770","15.237","0.004","10.387","0.003","20.841","0.005","90","","107.636","0.003","90","","3143.4","1.4","93","","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 O P Si2 -","- C36 H43 O P Si2 -","- C144 H172 O4 P4 Si8 -","4","1","","Shintani, Ryo; Kishikawa, Shinnosuke; Nakamura, Kimihiro; Tsuda, Tomohiro; Nozaki, Kyoko","Synthesis of carbonyl-bridged dibenzofulvalenes and related compounds by rhodium-catalyzed stitching reaction.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09943j","","","0.71075","MoKα","","0.0559","0.0454","","","0.1024","0.1092","","","","","","1.073","","","","has coordinates","212895","2020-10-21","18:00:00",""
"7122771","9.0819","0.0003","11.3685","0.0004","13.9457","0.0006","103.728","0.004","98.178","0.004","112.943","0.004","1242.94","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Ag N9 O5 Re -","- C21 H21 Ag N9 O5 Re -","- C42 H42 Ag2 N18 O10 Re2 -","2","1","","Li, Cheng-Peng; Ai, Jin-Yun; Zhou, Hang; Chen, Qi; Yang, Yijie; He, Hongming; Du, Miao","Ultra-highly selective trapping of perrhenate/pertechnetate by a flexible cationic coordination framework","Chemical Communications","2019","","","","","10.1039/C8CC09364D","","","1.54184","CuKα","","0.0554","0.0515","","","0.1372","0.1419","","","","","","1.008","","","","has coordinates","212896","2020-10-21","18:00:00",""
"7122772","8.7133","0.0005","12.36","0.0007","13.3642","0.0008","113.788","0.006","93.665","0.005","107.309","0.005","1229.18","0.15","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H15.5 Ag F3 N8.5 O3 S -","- C20 H15.5 Ag F3 N8.5 O3 S -","- C40 H31 Ag2 F6 N17 O6 S2 -","2","1","","Li, Cheng-Peng; Ai, Jin-Yun; Zhou, Hang; Chen, Qi; Yang, Yijie; He, Hongming; Du, Miao","Ultra-highly selective trapping of perrhenate/pertechnetate by a flexible cationic coordination framework","Chemical Communications","2019","","","","","10.1039/C8CC09364D","","x-ray","0.71073","MoKα","","0.0955","0.0787","","","0.2001","0.2117","","","","","","1.066","","","","has coordinates,has disorder","212896","2020-10-21","18:00:00",""
"7122773","15.0461","0.0001","28.683","0.0002","7.8724","0.0001","90","","90","","90","","3397.47","0.05","293","2","293","2","","","","","","","Ascidian-derived fungi","5","P 21 21 2","P 2 2ab","18","","Compound 1","","- C36 H42 Cl3 N O5 -","- C36 H42 Cl3 N O5 -","- C144 H168 Cl12 N4 O20 -","4","1","","Chen, Senhua; Shen, Hongjie; Zhang, Panpan; Cheng, Hongwei; Dai, Xingliang; Liu, Lan","Anti-glioma trichobamide A with an unprecedented tetrahydro-5H-furo[2,3-b]pyrrol-5-one functionality from ascidian-derived fungus Trichobotrys effuse 4729","Chemical Communications","2019","","","","","10.1039/C8CC08970A","","","1.54178","CuKα","","0.0439","0.0424","","","0.1118","0.1137","","","","","","1.031","","","","has coordinates","212897","2020-10-21","18:00:00",""
"7122774","9.383","0.003","20.549","0.007","11.175","0.004","90","","95.08","0.02","90","","2146.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N O -","- C23 H35 N O -","- C92 H140 N4 O4 -","4","1","","Tang, Jinghua; Gao, Xuejiao J.; Tang, Huarong; Zeng, Xiaoming","Dioxygen Activation with Stable N-Heterocyclic Carbenes","Chemical Communications","2019","","","","","10.1039/C8CC08911F","","","0.71073","MoKα","","0.0857","0.0703","","","0.197","0.2156","","","","","","1.072","","","","has coordinates","212898","2020-10-21","18:00:00",""
"7122775","14.6098","0.0016","8.5527","0.0009","22.221","0.002","90","","107.942","0.001","90","","2641.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C116 H112 N16 O16 -","4","1","","Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng","Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters","Chemical Communications","2019","","","","","10.1039/C8CC09230C","","","0.71073","MoKα","","0.0788","0.0483","","","0.1409","0.1562","","","","","","1.058","","","","has coordinates,has disorder","212899","2020-10-21","18:00:00",""
"7122776","9.9838","0.0009","11.1579","0.001","13.2772","0.0012","96.26","0.001","105.254","0.001","115.513","0.001","1245.1","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C58 H56 N8 O8 -","2","1","","Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng","Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters","Chemical Communications","2019","","","","","10.1039/C8CC09230C","","","0.71073","MoKα","","0.0464","0.0398","","","0.098","0.1036","","","","","","0.99","","","","has coordinates","212899","2020-10-21","18:00:00",""
"7122777","22.944","0.003","22.21","0.003","10.0282","0.0014","90","","91.284","0.002","90","","5108.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C232 H224 N32 O32 -","8","2","","Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng","Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters","Chemical Communications","2019","","","","","10.1039/C8CC09230C","","","0.71073","MoKα","","0.1892","0.0879","","","0.2103","0.2467","","","","","","1.187","","","","has coordinates,has disorder","212899","2020-10-21","18:00:00",""
"7122778","7.7972","0.0009","13.3272","0.0016","17.392","0.002","107.811","0.001","98.561","0.001","100.426","0.002","1651.5","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 I2 N4 O5 -","- C31 H36 I2 N4 O5 -","- C62 H72 I4 N8 O10 -","2","1","","Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng","Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters","Chemical Communications","2019","","","","","10.1039/C8CC09230C","","","0.71073","MoKα","","0.0577","0.0357","","","0.0777","0.0862","","","","","","1.039","","","","has coordinates","212899","2020-10-21","18:00:00",""
"7122779","19.94","0.01","21.08","0.011","8.921","0.005","90","","104.143","0.008","90","","3636","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H136 F48 N12 O16 P8 -","- C128 H136 F48 N12 O16 P8 -","- C128 H136 F48 N12 O16 P8 -","1","0.125","","Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng","Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters","Chemical Communications","2019","","","","","10.1039/C8CC09230C","","","0.71073","MoKα","","0.1946","0.1","","","0.2738","0.3297","","","","","","0.965","","","","has coordinates","212899","2020-10-21","18:00:00",""
"7122780","18.621","0.003","13.302","0.002","8.051","0.0014","90","","91.291","0.008","90","","1993.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","1","","Nagai, Akira; Nakamura, Takashi; Nabeshima, Tatsuya","A Twisted Macrocyclic Hexanuclear Palladium Complex with Internal Bulky Coordinating Ligands","Chemical Communications","2019","","","","","10.1039/C8CC09643K","","","0.71073","MoKα","","0.1264","0.0836","","","0.209","0.2333","","","","","","1.273","","","","has coordinates","212900","2020-10-21","18:00:00",""
"7122781","22.0586","0.0009","9.503","0.0004","44.7513","0.0018","90","","90","","90","","9380.9","0.7","100","2","99.97","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C104 H82 Co2 N28 O13 -","- C104 H82 Co2 N28 O13 -","- C416 H328 Co8 N112 O52 -","4","0.5","","Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa","Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks","Chemical Communications","2019","","","","","10.1039/C8CC09152H","","","1.54178","CuKα","","0.0933","0.0752","","","0.1651","0.1732","","","","","","1.142","","","","has coordinates,has disorder","212901","2020-10-21","18:00:00",""
"7122782","12.9679","0.0006","15.1211","0.0008","14.4514","0.0007","90","","111.898","0.001","90","","2629.3","0.2","297.73","","297.73","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H45 N15 Ni O8 -","- C58 H45 N15 Ni O8 -","- C116 H90 N30 Ni2 O16 -","2","1","","Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa","Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks","Chemical Communications","2019","","","","","10.1039/C8CC09152H","","","0.71073","MoKα","","0.1446","0.0721","","","0.1241","0.1471","","","","","","1.013","","","","has coordinates","212901","2020-10-21","18:00:00",""
"7122783","17.908","0.005","14.81","0.004","23.713","0.007","90","","111.389","0.01","90","","5856","3","100","2","100.06","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 N12 O6 S2 Zn -","- C66 H54 N12 O6 S2 Zn -","- C264 H216 N48 O24 S8 Zn4 -","4","1","","Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa","Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks","Chemical Communications","2019","","","","","10.1039/C8CC09152H","","","1.54178","CuKα","","0.0363","0.0321","","","0.0831","0.0866","","","","","","1.03","","","","has coordinates","212901","2020-10-21","18:00:00",""
"7122784","24.1981","0.0016","5.7782","0.0004","17.2288","0.0011","90","","89.951","0.004","90","","2409","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 B2 K N5 -","- C21 H39 B2 K N5 -","- C84 H156 B8 K4 N20 -","4","1","","Schröder, Jan; Himmel, Daniel; Kratzert, Daniel; Radtke, Valentin; Richert, Sabine; Weber, Stefan; Böttcher, Tobias","Isolation of a Stable Pyridine Radical Anion","Chemical Communications","2019","","","","","10.1039/C8CC09700C","","","0.71073","MoKα","","0.0857","0.0569","","","0.1365","0.1511","","","","","","1.038","","","","has coordinates,has disorder","212902","2020-10-21","18:00:00",""
"7122785","13.1294","0.0007","18.0745","0.0009","13.8835","0.0008","90","","92.213","0.002","90","","3292.2","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 F3 Ir O3 P2 S -","- C34 H44 F3 Ir O3 P2 S -","- C136 H176 F12 Ir4 O12 P8 S4 -","4","1","","Zatsepin, Pavel; Ahn, Seihwan; Pudasaini, Bimal; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.","Conversion of Methane to Ethylene Using an Ir Complex and Phosphorus Ylide as a Methylene Transfer Reagent","Chemical Communications","2019","","","","","10.1039/C8CC08761J","","","0.71073","MoKα","","0.0885","0.0662","","","0.1567","0.1706","","","","","","1.055","","","","has coordinates","212903","2020-10-21","18:00:00",""
"7122786","10.6431","0.0004","18.1825","0.0007","19.2066","0.0008","87.071","0.002","79.14","0.002","84.124","0.002","3629.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H46 F3 Ir O3 P2 S -","- C39 H46 F3 Ir O3 P2 S -","- C156 H184 F12 Ir4 O12 P8 S4 -","4","2","","Zatsepin, Pavel; Ahn, Seihwan; Pudasaini, Bimal; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.","Conversion of Methane to Ethylene Using an Ir Complex and Phosphorus Ylide as a Methylene Transfer Reagent","Chemical Communications","2019","","","","","10.1039/C8CC08761J","","","0.71073","MoKα","","0.0576","0.039","","","0.0741","0.0808","","","","","","1.078","","","","has coordinates,has disorder","212903","2020-10-21","18:00:00",""
"7122787","24.211","0.003","11.331","0.0017","10.5117","0.0011","90","","90","","90","","2883.7","0.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H26 N2 -","- C41 H26 N2 -","- C164 H104 N8 -","4","1","","Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation","Chemical Communications","2019","","","","","10.1039/C8CC09220F","","","0.71073","MoKα","","0.1512","0.0498","","","0.109","0.1556","","","","","","1.024","","","","has coordinates","212904","2020-10-21","18:00:00",""
"7122788","8.8272","0.0006","27.987","0.002","11.8174","0.0009","90","","97.951","0.003","90","","2891.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H26 N2 -","- C41 H26 N2 -","- C164 H104 N8 -","4","1","","Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation","Chemical Communications","2019","","","","","10.1039/C8CC09220F","","","0.71073","MoKα","","0.1805","0.0932","","","0.2516","0.3298","","","","","","1.018","","","","has coordinates","212904","2020-10-21","18:00:00",""
"7122789","11.7976","0.0011","20.678","0.002","10.8197","0.0008","90","","95.169","0.004","90","","2628.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 N2 -","- C37 H24 N2 -","- C148 H96 N8 -","4","1","","Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation","Chemical Communications","2019","","","","","10.1039/C8CC09220F","","","0.71073","MoKα","","0.1483","0.063","","","0.1602","0.2222","","","","","","1.071","","","","has coordinates","212904","2020-10-21","18:00:00",""
"7122790","10.6994","0.0007","26.4284","0.0015","9.3265","0.0006","90","","96.56","0.002","90","","2620","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 N2 -","- C37 H24 N2 -","- C148 H96 N8 -","4","1","","Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation","Chemical Communications","2019","","","","","10.1039/C8CC09220F","","","0.71073","MoKα","","0.1338","0.0564","","","0.1456","0.1997","","","","","","1.063","","","","has coordinates","212904","2020-10-21","18:00:00",""
"7122796","12.2256","0.0019","13.0137","0.0019","13.25","0.0019","97.286","0.004","101.38","0.004","106.26","0.004","1946.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H88 Cl2 Mn2 N8 -","- C74 H88 Cl2 Mn2 N8 -","- C74 H88 Cl2 Mn2 N8 -","1","0.5","","Kumar, Amit; Sil, Debangsu; Usman, Mohammad; Rath, Sankar Prasad","Dimanganese(III) porphyrin dication diradical and its transformation to a μ-hydroxo porphyrin-oxophlorin heterodimer","Chemical Communications","2019","","","","","10.1039/C8CC09366K","","","0.71073","MoKα","","0.0988","0.065","","","0.1605","0.1792","","","","","","1.038","","","","has coordinates","212906","2020-10-21","18:00:00",""
"7122797","14.777","0.005","20.11","0.005","22.102","0.005","90","0.005","93.147","0.005","90","0.005","6558","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H90 Cl2 Mn2 N8 O2 -","- C75 H90 Cl2 Mn2 N8 O2 -","- C300 H360 Cl8 Mn8 N32 O8 -","4","1","","Kumar, Amit; Sil, Debangsu; Usman, Mohammad; Rath, Sankar Prasad","Dimanganese(III) porphyrin dication diradical and its transformation to a μ-hydroxo porphyrin-oxophlorin heterodimer","Chemical Communications","2019","","","","","10.1039/C8CC09366K","","","0.71073","MoKα","","0.1705","0.0764","","","0.1136","0.1387","","","","","","1.035","","","","has coordinates","212906","2020-10-21","18:00:00",""
"7122798","19.481","0.005","9.679","0.005","22.85","0.005","90","0.005","95.489","0.005","90","0.005","4289","3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C74 H92 Cl4 Mn2 N8 O18 -","- C74 H92 Cl4 Mn2 N8 O18 -","- C148 H184 Cl8 Mn4 N16 O36 -","2","0.5","","Kumar, Amit; Sil, Debangsu; Usman, Mohammad; Rath, Sankar Prasad","Dimanganese(III) porphyrin dication diradical and its transformation to a μ-hydroxo porphyrin-oxophlorin heterodimer","Chemical Communications","2019","","","","","10.1039/C8CC09366K","","","0.71069","MoKα","","0.0878","0.0528","","","0.1091","0.1216","","","","","","1.025","","","","has coordinates,has disorder","212906","2020-10-21","18:00:00",""
"7122799","23.6145","0.0007","23.6145","0.0007","6.5579","0.0003","90","","90","","90","","3657","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C48 H24 Cu N8 O8 -","- C48 H24 Cu N8 O8 -","- C96 H48 Cu2 N16 O16 -","2","","","Kuang, Xiaofei; Chen, Shan-Ci; Meng, Lingyi; Chen, Jing; Wu, Xiao-Yuan; Zhang, Guan-Hua; Zhong, Guiming; HU, Ting; Li, Yuhang; Lu, Can-Zhong","Supramolecular aggregation of redox-active copper-naphthalenediimide network with intrinsic electron conduction","Chemical Communications","2019","","","","","10.1039/C8CC10269D","","","1.54184","CuKα","","0.0593","0.0475","","","0.1373","0.1445","","","","","","1.004","","","","has coordinates","213017","2020-10-21","18:00:00",""
"7122800","17.5774","0.0013","19.6323","0.0013","29.878","0.003","90","","105.803","0.003","90","","9920.7","1.4","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C116.5 H138.5 N4 O2 -","- C116.5 H138.5 N4 O2 -","- C466 H554 N16 O8 -","4","1","","Yonekawa, Izumi; Mutoh, Katsuya; Abe, Jiro","Visible light intensity dependent negative photochromism of a binaphthyl-bridged phenoxyl-imidazolyl radical complex.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09591d","","","0.71073","MoKα","","0.12","0.0839","","","0.2525","0.2867","","","","","","1.039","","","","has coordinates,has disorder","213019","2020-10-21","18:00:00",""
"7122801","12.1052","0.0016","16.953","0.002","12.9887","0.0017","90","","92.587","0.005","90","","2662.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 F3 N2 O4 Ru S -","- C28 H27 F3 N2 O4 Ru S -","- C112 H108 F12 N8 O16 Ru4 S4 -","4","1","","Ballester, Francisco J.; Ortega, Enrique; Porto, Vanesa; Kostrhunova, Hana; Davila-Ferreira, Nerea; Bautista, Delia; Brabec, Viktor; Domínguez, Fernando; Santana, M. Dolores; Ruiz, José","New half-sandwich ruthenium(ii) complexes as proteosynthesis inhibitors in cancer cells.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09211g","","","0.71073","MoKα","","0.0311","0.0281","","","0.0607","0.0617","","","","","","1.132","","","","has coordinates,has disorder","213020","2020-10-21","18:00:00",""
"7122802","10.7146","0.0005","13.1262","0.0006","12.7262","0.0005","90","","92.545","0.002","90","","1788.07","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl N2 O Ru -","- C20 H21 Cl N2 O Ru -","- C80 H84 Cl4 N8 O4 Ru4 -","4","1","","Ballester, Francisco J.; Ortega, Enrique; Porto, Vanesa; Kostrhunova, Hana; Davila-Ferreira, Nerea; Bautista, Delia; Brabec, Viktor; Domínguez, Fernando; Santana, M. Dolores; Ruiz, José","New half-sandwich ruthenium(ii) complexes as proteosynthesis inhibitors in cancer cells.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09211g","","","0.71073","MoKα","","0.0274","0.0219","","","0.0475","0.0494","","","","","","1.084","","","","has coordinates","213020","2020-10-21","18:00:00",""
"7122803","11.1703","0.0006","13.1012","0.0006","12.5663","0.0006","90","","90.3829","0.0017","90","","1838.97","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N O Ru -","- C22 H22 Cl N O Ru -","- C88 H88 Cl4 N4 O4 Ru4 -","4","1","","Ballester, Francisco J.; Ortega, Enrique; Porto, Vanesa; Kostrhunova, Hana; Davila-Ferreira, Nerea; Bautista, Delia; Brabec, Viktor; Domínguez, Fernando; Santana, M. Dolores; Ruiz, José","New half-sandwich ruthenium(ii) complexes as proteosynthesis inhibitors in cancer cells.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09211g","","","0.71073","MoKα","","0.0263","0.0209","","","0.0473","0.0489","","","","","","1.079","","","","has coordinates","213020","2020-10-21","18:00:00",""
"7122804","11.4821","0.0007","14.3856","0.0008","17.8111","0.0011","90","","96.525","0.002","90","","2922.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 F3 N3 O4 Ru S -","- C30 H32 F3 N3 O4 Ru S -","- C120 H128 F12 N12 O16 Ru4 S4 -","4","1","","Ballester, Francisco J.; Ortega, Enrique; Porto, Vanesa; Kostrhunova, Hana; Davila-Ferreira, Nerea; Bautista, Delia; Brabec, Viktor; Domínguez, Fernando; Santana, M. Dolores; Ruiz, José","New half-sandwich ruthenium(ii) complexes as proteosynthesis inhibitors in cancer cells.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09211g","","","0.71073","MoKα","","0.0327","0.0277","","","0.0617","0.0635","","","","","","1.106","","","","has coordinates","213020","2020-10-21","18:00:00",""
"7122805","15.654","0.002","8.9806","0.0013","16.425","0.003","90","","106.399","0.005","90","","2215.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BeCl2(CDC)","","","- C23 H28 Be Cl2 N4 -","- C23 H28 Be Cl2 N4 -","- C92 H112 Be4 Cl8 N16 -","4","0.5","","Walley, Jacob; Breiner, Grace; Wang, Guocang; Dickie, Diane Amanda; Molino, Andrew; Dutton, Jason Laurence; Wilson, David John; Gilliard, Robert J.","s-Block Carbodicarbene Chemistry: C(sp3)−H Activation and Cyclization Mediated by a Beryllium Center","Chemical Communications","2019","","","","","10.1039/C8CC10022E","","","0.71073","MoKα","","0.0904","0.0503","","","0.1058","0.1204","","","","","","1.005","","","","has coordinates","213021","2020-10-21","18:00:00",""
"7122806","9.0264","0.0006","24.8747","0.0019","16.8657","0.0012","90","","90.557","0.002","90","","3786.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BeCl(NTMS2)(CDC)","","","- C36 H54 Be Cl N5 Si2 -","- C36 H54 Be Cl N5 Si2 -","- C144 H216 Be4 Cl4 N20 Si8 -","4","1","","Walley, Jacob; Breiner, Grace; Wang, Guocang; Dickie, Diane Amanda; Molino, Andrew; Dutton, Jason Laurence; Wilson, David John; Gilliard, Robert J.","s-Block Carbodicarbene Chemistry: C(sp3)−H Activation and Cyclization Mediated by a Beryllium Center","Chemical Communications","2019","","","","","10.1039/C8CC10022E","","","0.71073","MoKα","","0.0719","0.0436","","","0.0945","0.1061","","","","","","1.018","","","","has coordinates","213021","2020-10-21","18:00:00",""
"7122807","9.7119","0.0012","13.7589","0.0018","17.563","0.002","102.983","0.003","90.576","0.003","90.238","0.004","2286.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Be_heterocycle","","","- C77 H133 Be2 K2 N12 Si8 -","- C77 H133 Be2 K2 N12 Si8 -","- C77 H133 Be2 K2 N12 Si8 -","1","0.5","","Walley, Jacob; Breiner, Grace; Wang, Guocang; Dickie, Diane Amanda; Molino, Andrew; Dutton, Jason Laurence; Wilson, David John; Gilliard, Robert J.","s-Block Carbodicarbene Chemistry: C(sp3)−H Activation and Cyclization Mediated by a Beryllium Center","Chemical Communications","2019","","","","","10.1039/C8CC10022E","","","0.71073","MoKα","","0.1562","0.0561","","","0.1158","0.1472","","","","","","0.957","","","","has coordinates","213021","2020-10-21","18:00:00",""
"7122808","24.964","0.0003","24.964","0.0003","24.964","0.0003","90","","90","","90","","15557.6","0.3","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C56 H42 Gd3 N8 O39 -","- C56 H41.9994 Gd3 N8 O39 -","- C448 H335.995 Gd24 N64 O312 -","8","0.166667","","Xing, Xiu-Shuang; Fu, Zhi-Hua; Zhang, Ning-Ning; Yu, Xiao-Qing; Wang, Ming-Sheng; Guo, Guo-Cong","High proton conduction in an excellent water-stable gadolinium metal-organic framework.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc08700h","","","0.71073","MoKα","","0.0231","0.0226","","","0.0666","0.0671","","","","","","0.997","","","","has coordinates","213022","2020-10-21","18:00:00",""
"7122809","21.268","0.0004","21.268","0.0004","14.3108","0.0004","90","","90","","90","","6473.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C52.24 H46.48 Cl4.48 P4 Rh2 -","- C52.2666 H46.5332 Cl4.5332 P4 Rh2 -","- C209.066 H186.133 Cl18.1328 P16 Rh8 -","4","1","","Hill, Anthony; Barnett, Harrison J.","Halogenation of A-Frame μ-Carbido Complexes: Synthesis of η2-Halocarbynes","Chemical Communications","2019","","","","","10.1039/C8CC09692A","","x-ray","0.71073","MoKα","","0.0833","0.0594","","","0.1562","0.1815","","","","","","1.089","","","","has coordinates","213023","2020-10-21","18:00:00",""
"7122810","11.7284","0.0003","23.9123","0.0007","12.042","0.0003","90","","93.506","0.003","90","","3370.89","0.16","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H66 F6 N2 O6 P4 Rh2 S2 -","- C71 H66 F6 N2 O6 P4 Rh2 S2 -","- C142 H132 F12 N4 O12 P8 Rh4 S4 -","2","0.5","","Hill, Anthony; Barnett, Harrison J.","Halogenation of A-Frame μ-Carbido Complexes: Synthesis of η2-Halocarbynes","Chemical Communications","2019","","","","","10.1039/C8CC09692A","","x-ray","1.54184","CuKα","","0.1061","0.0982","","","0.2618","0.2702","","","","","","1.062","","","","has coordinates","213023","2020-10-21","18:00:00",""
"7122811","15.3383","0.0002","15.3383","0.0002","25.9466","0.0005","90","","90","","90","","6104.29","0.16","150","0.1","150","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H44 Br6 P4 Rh2 -","- C51 H44 Br6 P4 Rh2 -","- C204 H176 Br24 P16 Rh8 -","4","0.5","","Hill, Anthony; Barnett, Harrison J.","Halogenation of A-Frame μ-Carbido Complexes: Synthesis of η2-Halocarbynes","Chemical Communications","2019","","","","","10.1039/C8CC09692A","","x-ray","1.54184","CuKα","","0.1383","0.0944","","","0.2596","0.3215","","","","","","1.045","","","","has coordinates,has disorder","213023","2020-10-21","18:00:00",""
"7122812","10.9452","0.0005","14.1036","0.0007","23.4931","0.0008","81.467","0.004","76.544","0.003","69.731","0.004","3299.5","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl9 P4 Rh2 -","- C52 H45 Cl9 P4 Rh2 -","- C104 H90 Cl18 P8 Rh4 -","2","1","","Hill, Anthony; Barnett, Harrison J.","Halogenation of A-Frame μ-Carbido Complexes: Synthesis of η2-Halocarbynes","Chemical Communications","2019","","","","","10.1039/C8CC09692A","","x-ray","0.71073","MoKα","","0.1193","0.0798","","","0.1969","0.2233","","","","","","1.07","","","","has coordinates","213023","2020-10-21","18:00:00",""
"7122813","9.4926","0.0015","12.1584","0.0019","22.925","0.004","90","","94.409","0.002","90","","2638.1","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C112 H104 N8 O24 S4 -","4","1","","Sun, Meng; Wan, Xiao; Zhou, Si-Jia; Mei, Guang-Jian; Shi, Feng","Iridium and a Brønsted acid cooperatively catalyzed chemodivergent and stereoselective reactions of vinyl benzoxazinones with azlactones.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc08962k","","","0.71073","MoKα","","0.0717","0.0555","","","0.1512","0.1626","","","","","","1.027","","","","has coordinates","213024","2020-10-21","18:00:00",""
"7122814","7.8782","0.0019","10.747","0.003","35.997","0.008","90","","90","","90","","3047.8","1.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 N2 O7 S -","- C31 H34 N2 O7 S -","- C124 H136 N8 O28 S4 -","4","1","","Sun, Meng; Wan, Xiao; Zhou, Si-Jia; Mei, Guang-Jian; Shi, Feng","Iridium and a Brønsted acid cooperatively catalyzed chemodivergent and stereoselective reactions of vinyl benzoxazinones with azlactones.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc08962k","","","0.71073","MoKα","","0.078","0.0565","","","0.1332","0.1412","","","","","","1.081","","","","has coordinates","213024","2020-10-21","18:00:00",""
"7122815","13.7581","0.0014","9.9466","0.001","18.8561","0.0019","90","","97.7032","0.0016","90","","2557.1","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C144 H128 O8 -","4","1","","Dao, Nathan; Sader, Jonathan K.; Oliver, Allen Grayson; Wulff, Jeremy E.","Prying Open a Thiele Cage: Discovery of an Unprecedented Extended Pinacol Rearrangement","Chemical Communications","2019","","","","","10.1039/C8CC08862D","","","0.71073","MoKα","","0.0521","0.0403","","","0.104","0.1113","","","","","","1.022","","","","has coordinates,has disorder","213025","2020-10-21","18:00:00",""
"7122816","6.9395","0.0017","8.842","0.002","10.522","0.003","95.774","0.003","105.704","0.002","97.395","0.003","610.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B14 Cs2 Li8 Na4 O28 -","- B14 Cs2 Li8 Na4 O28 -","- B14 Cs2 Li8 Na4 O28 -","1","0.5","","Mutailipu, Miriding; Zhang, Min; Li, Hao; Fan, Xiao; Yang, Zhihua; Jin, Shifeng; Wang, Gang; Pan, Shilie","Li<sub>4</sub>Na<sub>2</sub>CsB<sub>7</sub>O<sub>14</sub>: a new edge-sharing [BO<sub>4</sub>]<sup>5-</sup> tetrahedra containing borate with high anisotropic thermal expansion.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09422e","","","0.71073","MoKα","","0.0375","0.0332","","","0.077","0.0795","","","","","","1.026","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7122817","7.8488","0.0003","12.9762","0.0005","17.3391","0.0007","102.951","0.002","90.009","0.002","98.867","0.001","1699.35","0.12","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 B F2 N2 S2 -","- C32 H29 B F2 N2 S2 -","- C64 H58 B2 F4 N4 S4 -","2","1","","Lv, Fan; Tang, Bing; Hao, Erhong; Liu, Qingyun; Wang, Hua; Jiao, Lijuan","Transition-Metal-Free Regioselective Cross-Coupling of BODIPYs with Thiols","Chemical Communications","2019","","","","","10.1039/C8CC09821B","","","0.71073","MoKα","","0.0713","0.0498","","","0.1201","0.1395","","","","","","1.017","","","","has coordinates,has disorder","213027","2020-10-21","18:00:00",""
"7122818","12.2704","0.0008","15.2656","0.001","15.5063","0.0011","90","","99.898","0.002","90","","2861.3","0.3","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B F2 N2 S3 -","- C27 H35 B F2 N2 S3 -","- C108 H140 B4 F8 N8 S12 -","4","1","","Lv, Fan; Tang, Bing; Hao, Erhong; Liu, Qingyun; Wang, Hua; Jiao, Lijuan","Transition-Metal-Free Regioselective Cross-Coupling of BODIPYs with Thiols","Chemical Communications","2019","","","","","10.1039/C8CC09821B","","","0.71073","MoKα","","0.1147","0.0812","","","0.1868","0.217","","","","","","1.052","","","","has coordinates,has disorder","213027","2020-10-21","18:00:00",""
"7122819","8.4332","0.0003","21.527","0.0009","11.4689","0.0004","90","","103.202","0.002","90","","2027.05","0.13","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 B F2 N2 S -","- C21 H23 B F2 N2 S -","- C84 H92 B4 F8 N8 S4 -","4","1","","Lv, Fan; Tang, Bing; Hao, Erhong; Liu, Qingyun; Wang, Hua; Jiao, Lijuan","Transition-Metal-Free Regioselective Cross-Coupling of BODIPYs with Thiols","Chemical Communications","2019","","","","","10.1039/C8CC09821B","","","0.71073","MoKα","","0.0646","0.0516","","","0.1301","0.1418","","","","","","1.036","","","","has coordinates,has disorder","213027","2020-10-21","18:00:00",""
"7122820","16.706","0.004","10.745","0.002","17.859","0.004","90","","102.827","0.005","90","","3125.8","1.2","90","","90","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","3-lut","","- C36 H38 N4 O5 Pd -","- C36 H38 N4 O5 Pd -","- C144 H152 N16 O20 Pd4 -","4","1","","Carta, Veronica; Soto, Miguel A.; MacLachlan, Mark J.","Ligand-modulated ring-expansion.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09710k","","","0.71073","MoKα","","0.0375","0.029","","0.0742","0.0686","0.0742","","","","","","0.9248","","","","has coordinates","213028","2020-10-21","18:00:00",""
"7122821","11.9782","0.001","15.6397","0.0012","21.9976","0.0017","90","","94.145","0.004","90","","4110.2","0.6","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.83 H41.42 Cl5.17 N4 O5.28 Pd -","- C38.8349 H41.4205 Cl5.1651 N4 O5.2783 Pd -","- C155.34 H165.682 Cl20.6604 N16 O21.1132 Pd4 -","4","1","","Carta, Veronica; Soto, Miguel A.; MacLachlan, Mark J.","Ligand-modulated ring-expansion.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc09710k","","","0.71073","MoKα","","0.0486","0.0416","","0.1001","0.0952","0.1001","","","","","","0.9316","","","","has coordinates,has disorder","213028","2020-10-21","18:00:00",""
"7122822","17.2362","0.0014","16.4307","0.0013","19.3949","0.0016","90","","107.69","0.002","90","","5233","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N8 O7 S -","- C33 H40 N8 O7 S -","- C132 H160 N32 O28 S4 -","4","1","","Huang, Zhe; Jia, Chuandong; Wu, Biao; Jansone-Popova, Santa; Seipp, Charles Aaron; Custelcean, Radu","Selective binding of (thio)sulfate and phosphate in water by quaternary ammonium functionalized oligo-ureas","Chemical Communications","2019","","","","","10.1039/C8CC09550G","","","0.71073","MoKα","","0.1044","0.0591","","","0.1368","0.1519","","","","","","0.877","","","","has coordinates","213049","2020-10-21","18:00:00",""
"7122823","13.3813","0.0011","16.8878","0.0011","27.6","0.002","90","","90","","90","","6237.1","0.8","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C34 H21 Br F3 N O4 -","- C34 H21 Br F3 N O4 -","- C272 H168 Br8 F24 N8 O32 -","8","1","","Yang, Shu-Mei; Karanam, Praneeth; Wang, Min; Jang, Yeong-Jiunn; Yeh, Yu-Sheng; Tseng, Ping-Yao; Ganapuram, Madhusudhan Reddy; Liou, Yan-Cheng; Lin, Wenwei","A vinylogous Michael addition-triggered quadruple cascade reaction for the enantioselective generation of multiple quaternary stereocenters","Chemical Communications","2019","","","","","10.1039/C8CC09219B","","","0.71073","MoKα","","0.0859","0.0694","","","0.1358","0.1419","","","","","","1.132","","","","has coordinates","213050","2020-10-21","18:00:00",""
"7122824","12.6025","0.0003","17.6868","0.0004","22.9841","0.0005","90","","93.676","0.001","90","","5112.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 B F24 N4 Zn -","- C46 H47 B F24 N4 Zn -","- C184 H188 B4 F96 N16 Zn4 -","4","1","","Chambenahalli, Raju; Andrews, Alex P.; Ritter, Florian; Okuda, Jun; Venugopal, Ajay","Terminal Hydridozinc Cation","Chemical Communications","2019","","","","","10.1039/C8CC09839E","","","0.71073","MoKα","","0.0796","0.0609","","","0.1562","0.1721","","","","","","1.024","","","","has coordinates,has disorder","213051","2020-10-21","18:00:00",""
"7122825","16.61","0.07","11.92","0.05","28.25","0.13","90","","90.62","0.03","90","","5593","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 B F24 N4 O2 Zn -","- C50 H55 B F24 N4 O2 Zn -","- C200 H220 B4 F96 N16 O8 Zn4 -","4","1","","Chambenahalli, Raju; Andrews, Alex P.; Ritter, Florian; Okuda, Jun; Venugopal, Ajay","Terminal Hydridozinc Cation","Chemical Communications","2019","","","","","10.1039/C8CC09839E","","","0.71073","MoKα","","0.1407","0.073","","","0.1647","0.2035","","","","","","1.021","","","","has coordinates","213051","2020-10-21","18:00:00",""
"7122826","13.312","0.004","14.379","0.004","17.415","0.005","99.762","0.009","108.306","0.009","102.538","0.009","2985.9","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 B F24 N6 Zn -","- C54 H62 B F24 N6 Zn -","- C108 H124 B2 F48 N12 Zn2 -","2","1","","Chambenahalli, Raju; Andrews, Alex P.; Ritter, Florian; Okuda, Jun; Venugopal, Ajay","Terminal Hydridozinc Cation","Chemical Communications","2019","","","","","10.1039/C8CC09839E","","","0.71073","MoKα","","0.0888","0.0673","","","0.1685","0.188","","","","","","1.036","","","","has coordinates,has disorder","213051","2020-10-21","18:00:00",""
"7122827","12.54","0.03","19.77","0.05","26.08","0.06","90","","100.01","0.05","90","","6367","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 B Cl2 F24 N4 O Zn -","- C58 H55 B Cl2 F24 N4 O Zn -","- C232 H220 B4 Cl8 F96 N16 O4 Zn4 -","4","1","","Chambenahalli, Raju; Andrews, Alex P.; Ritter, Florian; Okuda, Jun; Venugopal, Ajay","Terminal Hydridozinc Cation","Chemical Communications","2019","","","","","10.1039/C8CC09839E","","","0.71073","MoKα","","0.0878","0.0555","","","0.1233","0.1416","","","","","","1.033","","","","has coordinates","213051","2020-10-21","18:00:00",""
"7122828","12.1404","0.0011","12.1678","0.0011","17.0313","0.0016","95.682","0.003","103.794","0.003","95.983","0.003","2410","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 B F24 N4 Zn -","- C44 H43 B F24 N4 Zn -","- C88 H86 B2 F48 N8 Zn2 -","2","1","","Chambenahalli, Raju; Andrews, Alex P.; Ritter, Florian; Okuda, Jun; Venugopal, Ajay","Terminal Hydridozinc Cation","Chemical Communications","2019","","","","","10.1039/C8CC09839E","","","0.71073","MoKα","","0.0499","0.0366","","","0.0833","0.0905","","","","","","1.023","","","","has coordinates","213051","2020-10-21","18:00:00",""
"7122829","8.4118","0.0003","9.5712","0.0003","21.244","0.0007","86.676","0.003","85.784","0.003","75.409","0.003","1649.35","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Fe Mg N2 O2 -","- C36 H46 Fe Mg N2 O2 -","- C72 H92 Fe2 Mg2 N4 O4 -","2","1","","Garçon, Martí; Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Unravelling Nucleophilic Aromatic Substitution Pathways with Bimetallic Nucleophiles","Chemical Communications","2019","","","","","10.1039/C8CC09701A","","","0.71073","MoKα","","0.0587","0.0416","","","0.0887","0.0975","","","","","","1.022","","","","has coordinates","213052","2020-10-21","18:00:00",""
"7122830","14.05485","0.00017","26.9731","0.0003","20.1112","0.0002","90","","108.102","0.0012","90","","7246.86","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 F Fe Mg2 N4 O2 -","- C74 H108 F Fe Mg2 N4 O2 -","- C296 H432 F4 Fe4 Mg8 N16 O8 -","4","1","","Garçon, Martí; Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Unravelling Nucleophilic Aromatic Substitution Pathways with Bimetallic Nucleophiles","Chemical Communications","2019","","","","","10.1039/C8CC09701A","","","1.54184","CuKα","","0.0677","0.0463","","","0.1171","0.1306","","","","","","1.03","","","","has coordinates,has disorder","213052","2020-10-21","18:00:00",""
"7122831","12.546","0.0002","21.0025","0.0003","13.5886","0.0003","90","","110.447","0.002","90","","3354.97","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H84 Fe2 Mg2 N4 O4 -","- C74 H84 Fe2 Mg2 N4 O4 -","- C148 H168 Fe4 Mg4 N8 O8 -","2","0.5","","Garçon, Martí; Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Unravelling Nucleophilic Aromatic Substitution Pathways with Bimetallic Nucleophiles","Chemical Communications","2019","","","","","10.1039/C8CC09701A","","","1.54184","CuKα","","0.0612","0.0406","","","0.0885","0.0992","","","","","","1.021","","","","has coordinates","213052","2020-10-21","18:00:00",""
"7122832","8.5632","0.0003","11.0014","0.0005","16.3358","0.0005","90","","90","","90","","1538.95","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H9 F4 Fe N O2 -","- C18 H9 F4 Fe N O2 -","- C72 H36 F16 Fe4 N4 O8 -","4","1","","Garçon, Martí; Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Unravelling Nucleophilic Aromatic Substitution Pathways with Bimetallic Nucleophiles","Chemical Communications","2019","","","","","10.1039/C8CC09701A","","","0.71073","MoKα","","0.0313","0.0275","","","0.0612","0.0637","","","","","","1.047","","","","has coordinates","213052","2020-10-21","18:00:00",""
"7122833","5.897","0.0004","12.6136","0.0009","21.8512","0.0016","90","","90.674","0.004","90","","1625.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 N4 O4 S -","- C13 H20 N4 O4 S -","- C52 H80 N16 O16 S4 -","4","1","","Hazarika, Debojit; Borah, Arun Jyoti; Phukan, Prodeep","Facile, catalyst-free cascade synthesis of sulfonyl guanidines via carbodiimide coupling with amines","Chemical Communications","2019","","","","","10.1039/C8CC08564A","","","0.71073","MoKα","","0.0596","0.0453","","","0.1242","0.1446","","","","","","1.115","","","","has coordinates","213053","2020-10-21","18:00:00",""
"7122834","9.4201","0.0016","13.601","0.002","10.951","0.0018","90","","109.325","0.008","90","","1324","0.4","170","","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H27 N5 O7 -","- C29 H27 N5 O7 -","- C58 H54 N10 O14 -","2","1","","Caltagirone, Claudia; Montis, Riccardo; Lippolis, Vito; Bencini, Andrea; Conti, Luca; Giorgi, Claudia; Horton, Peter; Coles, Simon; Mapp, Lucy K.; Gale, Philip A.; Fusaro, Luca","Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition","Chemical Communications","2019","","","","","10.1039/C8CC09962F","","x-ray","0.71075","MoKα","","0.1223","0.0634","","","0.1032","0.1204","","","","","","1.027","","","","has coordinates","213054","2020-10-21","18:00:00",""
"7122835","9.4112","0.0003","14.2754","0.0005","16.4708","0.001","84.157","0.004","88.236","0.004","85.515","0.003","2194.01","0.17","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C45 H61.72 N6 O6.86 -","- C45 H61.715 N6 O6.8575 -","- C90 H123.43 N12 O13.715 -","2","2","","Caltagirone, Claudia; Montis, Riccardo; Lippolis, Vito; Bencini, Andrea; Conti, Luca; Giorgi, Claudia; Horton, Peter; Coles, Simon; Mapp, Lucy K.; Gale, Philip A.; Fusaro, Luca","Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition","Chemical Communications","2019","","","","","10.1039/C8CC09962F","","x-ray","0.71075","MoKα","","0.0826","0.054","","","0.1122","0.1249","","","","","","1.008","","","","has coordinates,has disorder","213054","2020-10-21","18:00:00",""
"7122836","19.7262","0.0008","17.6337","0.0006","28.3261","0.0009","90","","107.612","0.004","90","","9391.3","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C183 H304 F2 N21 O26.5 -","- C183 H304 F2 N21 O26.5 -","- C366 H608 F4 N42 O53 -","2","1","","Caltagirone, Claudia; Montis, Riccardo; Lippolis, Vito; Bencini, Andrea; Conti, Luca; Giorgi, Claudia; Horton, Peter; Coles, Simon; Mapp, Lucy K.; Gale, Philip A.; Fusaro, Luca","Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition","Chemical Communications","2019","","","","","10.1039/C8CC09962F","","x-ray","0.71075","MoKα","","0.1698","0.0896","","","0.2068","0.2547","","","","","","1.009","","","","has coordinates,has disorder","213054","2020-10-21","18:00:00",""
"7122837","9.672","0.008","19.31","0.015","8.055","0.006","90","","108.567","0.008","90","","1426.1","1.9","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F2 Li O2 P -","- F2 Li O2 P -","- F32 Li16 O32 P16 -","16","2","","Han, Guopeng; Wang, Ying; Li, Hao; Yang, Zhihua; Pan, Shilie","A Lithium Difluorophosphate LiPO2F2 with a Neutral Polytetrahedral Microporous Architecture","Chemical Communications","2019","","","","","10.1039/C8CC10158B","","","0.71073","MoKα","","0.073","0.0482","","","0.1314","0.1535","","","","","","1.048","","","","has coordinates","213081","2020-10-21","18:00:00",""
"7122838","9.935","0.0008","12.2145","0.001","15.7216","0.0013","78.776","0.007","75.149","0.007","83.468","0.007","1804.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H42 N4 O4 -","- C44 H42 N4 O4 -","- C88 H84 N8 O8 -","2","1","","Qi, Qingkai; Huang, Lu; Yang, Runqing; Li, Jin; Qiao, Qinglong; Xu, Bin; Tian, Wenjing; Liu, Xiaogang; Xu, Zhaochao","Rhodamine-naphthalimide demonstrated a distinct aggregation-induced emission mechanism: elimination of dark-states via dimer interactions (EDDI)","Chemical Communications","2019","","","","","10.1039/C8CC09212E","","","0.71073","MoKα","","0.2419","0.0821","","","0.2042","0.287","","","","","","0.929","","","","has coordinates,has disorder","213082","2020-10-21","18:00:00",""
"7122839","10.7095","0.0007","11.359","0.0006","12.0866","0.0007","62.703","0.002","74.569","0.002","68.667","0.002","1208.29","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 N12 O35 Tb4 -","- C30 H24 N12 O35 Tb4 -","- C30 H24 N12 O35 Tb4 -","1","0.5","","Feng, Lu; Wang, Hui-Sheng; Xu, Hailong; Huang, Wentao; Zeng, Tianyu; Cheng, Qing rong; Pan, Zhi-Quan; Zhou, Hong","A water stable layered Tb(III) polycarboxylate with high proton conductivity over 10-2 S•cm-1 in a wide temperature range","Chemical Communications","2019","","","","","10.1039/C8CC08706G","","","0.71073","MoKα","","0.07","0.0389","","","0.0587","0.0634","","","","","","1.011","","","","has coordinates","213083","2020-10-21","18:00:00",""
"7122840","22.2504","0.0011","13.1969","0.0005","17.7522","0.0008","90","","112.116","0.005","90","","4829.2","0.4","123","","123.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H62 Li N4 Na O9 Si4 -","- C28 H61.5 Li N4 Na O9 Si4 -","- C112 H246 Li4 N16 Na4 O36 Si16 -","4","1","","Gauld, Richard M.; Kennedy, Alan R.; McLellan, Ross; Barker, Jim; Reid, Jacqueline; Mulvey, Robert E.","Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium‒sodium carbamato-anhydride via lithium‒sodium bis-hexamethyldisilazide","Chemical Communications","2019","","","","","10.1039/C8CC08308H","","","1.54184","CuKα","","0.1023","0.0891","","","0.2416","0.266","","","","","","1.054","","","","has coordinates,has disorder","213084","2020-10-21","18:00:00",""
"7122841","5.4312","0.001","7.6252","0.0016","12.092","0.002","84.577","0.015","87.445","0.014","76.369","0.017","484.37","0.16","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Li N O3 -","- C9 H12 Li N O3 -","- C18 H24 Li2 N2 O6 -","2","1","","Gauld, Richard M.; Kennedy, Alan R.; McLellan, Ross; Barker, Jim; Reid, Jacqueline; Mulvey, Robert E.","Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium‒sodium carbamato-anhydride via lithium‒sodium bis-hexamethyldisilazide","Chemical Communications","2019","","","","","10.1039/C8CC08308H","","","0.71073","MoKα","","0.1196","0.0641","","","0.1507","0.1939","","","","","","1.0978","","","","has coordinates","213084","2020-10-21","18:00:00",""
"7122842","14.85","0.0007","15.5422","0.0006","17.5104","0.0007","110.729","0.004","95.79","0.003","98.13","0.004","3691.8","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H198 Li12 N14 O28 -","- C98 H198 Li12 N14 O28 -","- C98 H198 Li12 N14 O28 -","1","0.5","","Gauld, Richard M.; Kennedy, Alan R.; McLellan, Ross; Barker, Jim; Reid, Jacqueline; Mulvey, Robert E.","Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium‒sodium carbamato-anhydride via lithium‒sodium bis-hexamethyldisilazide","Chemical Communications","2019","","","","","10.1039/C8CC08308H","","x-ray","1.54184","CuKα","","0.12","0.0957","","","0.2719","0.3103","","","","","","0.9886","","","","has coordinates,has disorder","213084","2020-10-21","18:00:00",""
"7122843","8.888","0.0003","12.083","0.0005","21.1375","0.0007","77.868","0.002","84.721","0.002","75.319","0.002","2145.08","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H98 Au2 F12 N4 O11 P4 -","- C88 H98 Au2 F12 N4 O11 P4 -","- C88 H98 Au2 F12 N4 O11 P4 -","1","0.5","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.0528","0.0483","","","0.1197","0.1242","","","","","","1.115","","","","has coordinates,has disorder","213165","2020-10-21","18:00:00",""
"7122844","8.4853","0.0013","11.6056","0.0017","12.1927","0.0018","84.209","0.007","73.935","0.006","83.516","0.007","1143.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 F12 N4 O10 P2 -","- C40 H56 F12 N4 O10 P2 -","- C40 H56 F12 N4 O10 P2 -","1","0.5","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.1289","0.064","","","0.1404","0.1659","","","","","","1.034","","","","has coordinates","213165","2020-10-21","18:00:00",""
"7122845","10.8478","0.0002","12.9719","0.0002","12.9821","0.0002","75.025","0.001","67.442","0.001","69.602","0.001","1564.75","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H83 F12 N4 O10 P2 -","- C60 H83 F12 N4 O10 P2 -","- C60 H83 F12 N4 O10 P2 -","1","0.5","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.0787","0.0542","","","0.1514","0.1696","","","","","","1.074","","","","has coordinates,has disorder","213165","2020-10-21","18:00:00",""
"7122846","11.0528","0.0004","16.2715","0.0006","17.9174","0.0006","92.546","0.002","97.823","0.002","107.791","0.002","3027.05","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H86 F12 N4 O11 P2 -","- C55 H86 F12 N4 O11 P2 -","- C110 H172 F24 N8 O22 P4 -","2","1","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.0881","0.0487","","","0.1027","0.1192","","","","","","1.017","","","","has coordinates","213165","2020-10-21","18:00:00",""
"7122847","10.9879","0.0004","13.5898","0.0004","13.7145","0.0004","78.086","0.002","79.356","0.002","67.925","0.002","1843.89","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H96 Br4 F12 N4 O10 P2 -","- C68 H96 Br4 F12 N4 O10 P2 -","- C68 H96 Br4 F12 N4 O10 P2 -","1","0.5","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.0515","0.0467","","","0.1168","0.1211","","","","","","1.036","","","","has coordinates,has disorder","213165","2020-10-21","18:00:00",""
"7122848","22.7748","0.0002","22.7748","0.0002","22.9902","0.0003","90","","90","","90","","11924.8","0.2","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H60 F12 N4 O10 P2 -","- C48 H60 F12 N4 O10 P2 -","- C384 H480 F96 N32 O80 P16 -","8","0.5","","Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.","Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes","Chemical Communications","2019","","","","","10.1039/C8CC09936G","","","1.54178","CuKα","","0.0701","0.0623","","","0.1801","0.1866","","","","","","1.061","","","","has coordinates","213165","2020-10-21","18:00:00",""
"7122849","5.7997","0.0002","7.802","0.0003","10.7127","0.0004","101.38","0.003","93.123","0.003","94.168","0.003","472.78","0.03","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H12 F N O -","- C10 H12 F N O -","- C20 H24 F2 N2 O2 -","2","2","","Cosimi, Elena; Trapp, Nils; Ebert, Marc-Olivier; Wennemers, Helma","Combined Experimental and Theoretical Study of Long-Range H F Interactions in α Fluoro Amides","Chemical Communications","2019","","","","","10.1039/C8CC09987A","","x-ray","1.54184","CuKα","","0.0483","0.0406","","","0.111","0.1196","","","","","","1.06","","","","has coordinates","213166","2020-10-21","18:00:00",""
"7122850","5.7309","0.0001","15.2234","0.0002","10.3215","0.0001","90","","94.292","0.001","90","","897.96","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F2 O S -","- C9 H8 F2 O S -","- C36 H32 F8 O4 S4 -","4","1","","Cosimi, Elena; Trapp, Nils; Ebert, Marc-Olivier; Wennemers, Helma","Combined Experimental and Theoretical Study of Long-Range H F Interactions in α Fluoro Amides","Chemical Communications","2019","","","","","10.1039/C8CC09987A","","x-ray","1.54184","CuKα","","0.0459","0.0448","","","0.1196","0.1203","","","","","","1.098","","","","has coordinates","213166","2020-10-21","18:00:00",""
"7122851","8.5328","0.0001","10.2996","0.0001","23.8575","0.0003","90","","90","","90","","2096.7","0.04","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F N O3 -","- C11 H12 F N O3 -","- C88 H96 F8 N8 O24 -","8","1","","Cosimi, Elena; Trapp, Nils; Ebert, Marc-Olivier; Wennemers, Helma","Combined Experimental and Theoretical Study of Long-Range H F Interactions in α Fluoro Amides","Chemical Communications","2019","","","","","10.1039/C8CC09987A","","x-ray","1.54184","CuKα","","0.0422","0.0401","","","0.1155","0.1176","","","","","","1.069","","","","has coordinates","213166","2020-10-21","18:00:00",""
"7122852","15.0002","0.0008","8.6636","0.0005","25.9025","0.001","90","","102.518","0.003","90","","3286.2","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F6 I2 N O5 P S2 -","- C27 H24 F6 I2 N O5 P S2 -","- C108 H96 F24 I8 N4 O20 P4 S8 -","4","1","","Lohrman, Jessica A.; Deng, Chun-Lin; Shear, Trevor A.; Zakharov, Lev; Haley, Michael M.; Johnson, Darren","Methanesulfonyl-Polarized Halogen Bonding Enables Strong Halide Recognition in an Arylethynyl Anion Receptor","Chemical Communications","2019","","","","","10.1039/C8CC09251F","","","1.54178","CuKα","","0.1026","0.0636","","","0.1439","0.1654","","","","","","1.005","","","","has coordinates","213167","2020-10-21","18:00:00",""
"7122853","5.057","0.003","15.197","0.009","17.789","0.011","79.501","0.015","89.107","0.015","85.63","0.02","1340.3","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Cl I2 N O5 S2 -","- C24 H18 Cl I2 N O5 S2 -","- C48 H36 Cl2 I4 N2 O10 S4 -","2","1","","Lohrman, Jessica A.; Deng, Chun-Lin; Shear, Trevor A.; Zakharov, Lev; Haley, Michael M.; Johnson, Darren","Methanesulfonyl-Polarized Halogen Bonding Enables Strong Halide Recognition in an Arylethynyl Anion Receptor","Chemical Communications","2019","","","","","10.1039/C8CC09251F","","","1.54178","CuKα","","0.1023","0.0681","","","0.167","0.1913","","","","","","1.062","","","","has coordinates","213167","2020-10-21","18:00:00",""
"7122854","8.5565","0.0005","13.3964","0.0008","13.6335","0.0008","64.031","0.004","79.229","0.004","86.953","0.004","1379.49","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 I3 N O4 S2 -","- C24 H18 I3 N O4 S2 -","- C48 H36 I6 N2 O8 S4 -","2","1","","Lohrman, Jessica A.; Deng, Chun-Lin; Shear, Trevor A.; Zakharov, Lev; Haley, Michael M.; Johnson, Darren","Methanesulfonyl-Polarized Halogen Bonding Enables Strong Halide Recognition in an Arylethynyl Anion Receptor","Chemical Communications","2019","","","","","10.1039/C8CC09251F","","","1.54178","CuKα","","0.0535","0.0394","","","0.0973","0.1037","","","","","","1.057","","","","has coordinates","213167","2020-10-21","18:00:00",""
"7122855","5.1366","0.0003","15.3534","0.0007","17.7446","0.0009","78.46","0.003","89.369","0.004","86.064","0.004","1367.89","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Br I2 N O5 S2 -","- C24 H20 Br I2 N O5 S2 -","- C48 H40 Br2 I4 N2 O10 S4 -","2","1","","Lohrman, Jessica A.; Deng, Chun-Lin; Shear, Trevor A.; Zakharov, Lev; Haley, Michael M.; Johnson, Darren","Methanesulfonyl-Polarized Halogen Bonding Enables Strong Halide Recognition in an Arylethynyl Anion Receptor","Chemical Communications","2019","","","","","10.1039/C8CC09251F","","","1.54178","CuKα","","0.058","0.0389","","","0.0841","0.0907","","","","","","1.029","","","","has coordinates","213167","2020-10-21","18:00:00",""
"7122856","9.045","0.003","18.898","0.006","10.068","0.003","90","","90","","90","","1720.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 I N2 -","- C16 H29 I N2 -","- C64 H116 I4 N8 -","4","1","","Zhang, Chuanqi; Xu, Li; Li, Xinzhu; Hu, Jibo; Zhu, Liangkui; Li, Yan; Jiang, Jiuxing; Wang, Zhendong; Yang, Weimin","A Simple Matrine Derivative for the Facile Syntheses of Mesoporous Zeolites ITQ-37 and ITQ-43","Chemical Communications","2019","","","","","10.1039/C8CC08196D","","","0.71073","MoKα","","0.0952","0.0567","","","0.1042","0.1202","","","","","","1.083","","","","has coordinates","213168","2020-10-21","18:00:00",""
"7122857","7.9875","0.0018","9.862","0.002","14.041","0.003","88.713","0.005","75.026","0.004","73.585","0.005","1023.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Br4 I4 N8 O2 -","- C30 H38 Br4 I4 N8 O2 -","- C30 H38 Br4 I4 N8 O2 -","1","0.5","","Chakraborty, Sourav; Maji, Siddhartha; Ghosh, Rajib; Jana, Rajkumar; Datta, Ayan; Ghosh, Pradyut","Aryl-platform-based tetrapodal 2-iodo-imidazolium as an excellent halogen bond receptor in aqueous medium","Chemical Communications","2019","","","","","10.1039/C8CC09937E","","","0.71073","MoKα","","0.0512","0.0453","","","0.1155","0.1193","","","","","","1.056","","","","has coordinates","213169","2020-10-21","18:00:00",""
"7122858","7.9866","0.0009","9.8465","0.0012","14.0544","0.0016","88.752","0.003","75.052","0.002","73.554","0.003","1022.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Br4 I4 N8 O2 -","- C30 H38 Br4 I4 N8 O2 -","- C30 H38 Br4 I4 N8 O2 -","1","0.5","","Chakraborty, Sourav; Maji, Siddhartha; Ghosh, Rajib; Jana, Rajkumar; Datta, Ayan; Ghosh, Pradyut","Aryl-platform-based tetrapodal 2-iodo-imidazolium as an excellent halogen bond receptor in aqueous medium","Chemical Communications","2019","","","","","10.1039/C8CC09937E","","","0.71073","MoKα","","0.0413","0.0382","","","0.1081","0.1104","","","","","","1.07","","","","has coordinates","213169","2020-10-21","18:00:00",""
"7122859","11.2183","0.0009","12.6268","0.0011","15.48","0.0015","66.773","0.009","70.324","0.008","71.966","0.007","1857.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H25 B F15 P Si -","- C41 H25 B F15 P Si -","- C82 H50 B2 F30 P2 Si2 -","2","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.056","0.0409","","","0.0922","0.101","","","","","","1.014","","","","has coordinates","213170","2020-10-21","18:00:00",""
"7122860","36.7083","0.0008","11.2563","0.0002","18.6415","0.0004","90","","98.69","0.002","90","","7614.2","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H25 B F15 O P Si -","- C42 H25 B F15 O P Si -","- C336 H200 B8 F120 O8 P8 Si8 -","8","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.0349","0.032","","","0.0855","0.0883","","","","","","0.994","","","","has coordinates","213170","2020-10-21","18:00:00",""
"7122861","12.6405","0.0001","14.6125","0.0001","24.3671","0.0002","90","","102.702","0.001","90","","4390.68","0.06","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H33 B F15 O P Si -","- C49 H33 B F15 O P Si -","- C196 H132 B4 F60 O4 P4 Si4 -","4","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.0311","0.0288","","","0.0729","0.074","","","","","","1.026","","","","has coordinates","213170","2020-10-21","18:00:00",""
"7122862","11.0069","0.0012","11.1895","0.001","29.9621","0.0015","80.938","0.006","87.066","0.007","89.252","0.008","3639.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H44 B2 F30 N0 O P2 Si2 -","- C75 H44 B2 F30 O P2 Si2 -","- C150 H88 B4 F60 O2 P4 Si4 -","2","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.1695","0.1258","","","0.3365","0.4107","","","","","","1.233","","","","has coordinates,has disorder","213170","2020-10-21","18:00:00",""
"7122863","9.9289","0.0005","12.0268","0.0006","14.753","0.0007","76.372","0.004","79.509","0.004","69.177","0.005","1590.87","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H17 B F15 P Si -","- C34 H17 B F15 P Si -","- C68 H34 B2 F30 P2 Si2 -","2","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","0.71073","MoKα","","0.0482","0.0391","","","0.0823","0.0864","","","","","","1.04","","","","has coordinates","213170","2020-10-21","18:00:00",""
"7122864","11.5534","0.0004","11.9538","0.0005","13.8924","0.0003","88.901","0.002","73.743","0.003","69.443","0.004","1717.94","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H21 B F15 P Si -","- C36 H21 B F15 P Si -","- C72 H42 B2 F30 P2 Si2 -","2","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.0657","0.0611","","","0.1837","0.1905","","","","","","1.069","","","","has coordinates","213170","2020-10-21","18:00:00",""
"7122865","35.6477","0.0003","36.903","0.0003","12.0968","0.0001","90","","90","","90","","15913.4","0.2","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37.25 H22.25 B Cl3.75 F15 P Si -","- C37.25 H22.25 B Cl3.75 F15 P Si -","- C596 H356 B16 Cl60 F240 P16 Si16 -","16","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.0435","0.0428","","","0.1232","0.1242","","","","","","1.065","","","","has coordinates,has disorder","213170","2020-10-21","18:00:00",""
"7122866","11.0949","0.0001","12.6369","0.0001","17.6502","0.0002","78.2671","0.0005","89.048","0.0005","65.4174","0.0005","2196.9","0.04","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H58 Cl2 Ge N3 P Si -","- C46 H58 Cl2 Ge N3 P Si -","- C92 H116 Cl4 Ge2 N6 P2 Si2 -","2","1","","So, Cheuk-Wai; Ismail , Muhammad Luthfi Bin","Synthesis of a Dimeric Phosphine-Stabilized Phosphidogermanium(I)-Amidogermanium(II) Derivative","Chemical Communications","2019","","","","","10.1039/C8CC09454C","","","1.54178","CuKα","","0.0411","0.038","","","0.0987","0.1019","","","","","","1.025","","","","has coordinates","213188","2020-10-21","18:00:00",""
"7122867","10.806","0.0005","16.9006","0.0007","20.7677","0.0009","66.7498","0.0013","89.8652","0.0015","81.2991","0.0016","3437.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37 Cl2 Ge2 N P2 -","- C36 H37 Cl2 Ge2 N P2 -","- C144 H148 Cl8 Ge8 N4 P8 -","4","2","","So, Cheuk-Wai; Ismail , Muhammad Luthfi Bin","Synthesis of a Dimeric Phosphine-Stabilized Phosphidogermanium(I)-Amidogermanium(II) Derivative","Chemical Communications","2019","","","","","10.1039/C8CC09454C","","","0.71073","MoKα","","0.1224","0.0707","","","0.1694","0.2075","","","","","","1.014","","","","has coordinates","213188","2020-10-21","18:00:00",""
"7122868","11.7897","0.0002","16.3455","0.0002","20.0346","0.0003","90","","103.36","0.0008","90","","3756.35","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Cl Ge2 N P2 -","- C43 H45 Cl Ge2 N P2 -","- C172 H180 Cl4 Ge8 N4 P8 -","4","1","","So, Cheuk-Wai; Ismail , Muhammad Luthfi Bin","Synthesis of a Dimeric Phosphine-Stabilized Phosphidogermanium(I)-Amidogermanium(II) Derivative","Chemical Communications","2019","","","","","10.1039/C8CC09454C","","","1.54178","CuKα","","0.0655","0.0527","","","0.1389","0.1505","","","","","","1.038","","","","has coordinates","213188","2020-10-21","18:00:00",""
"7122869","17.5974","0.0004","13.0761","0.0004","31.5626","0.0008","90","","103.692","0.0008","90","","7056.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 N3 P Si -","- C39 H50 N3 P Si -","- C312 H400 N24 P8 Si8 -","8","2","","So, Cheuk-Wai; Ismail , Muhammad Luthfi Bin","Synthesis of a Dimeric Phosphine-Stabilized Phosphidogermanium(I)-Amidogermanium(II) Derivative","Chemical Communications","2019","","","","","10.1039/C8CC09454C","","","0.71073","MoKα","","0.0763","0.0495","","","0.1071","0.123","","","","","","1.055","","","","has coordinates","213188","2020-10-21","18:00:00",""
"7122870","10.442","0.002","4.8336","0.0011","12.394","0.003","90","","112.794","0.005","90","","576.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl2 O -","- C12 H12 Cl2 O -","- C24 H24 Cl4 O2 -","2","1","","Xiang, Ming; Luo, Guoshun; Wang, Yuankai; Krische, Michael J.","Enantioselective iridium-catalyzed carbonyl isoprenylation via alcohol-mediated hydrogen transfer.","Chemical communications (Cambridge, England)","2019","55","7","981","","10.1039/c8cc09706b","","","0.71073","MoKα","","0.0305","0.0278","","","0.0648","0.066","","","","","","1.081","","","","has coordinates","213189","2020-10-21","18:00:00",""
"7122871","10.8752","0.0008","44.889","0.003","16.0622","0.0012","90","","90.964","0.003","90","","7840.1","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AKY-583","","- C27 H21 O5 P S W -","- C27 H21 O5 P S W -","- C324 H252 O60 P12 S12 W12 -","12","3","","Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands","Chemical Communications","2019","","","","","10.1039/C8CC09892A","","","0.71073","MoKα","","0.0922","0.0559","","","0.0983","0.1168","","","","","","1.121","","","","has coordinates,has disorder","213211","2020-10-21","18:00:00",""
"7122872","11.9943","0.0005","13.8498","0.0005","15.1345","0.0007","90","","102.337","0.002","90","","2456.07","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","DB-14","","- C27 H21 Cr O5 P S -","- C27 H21 Cr O5 P S -","- C108 H84 Cr4 O20 P4 S4 -","4","1","","Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands","Chemical Communications","2019","","","","","10.1039/C8CC09892A","","","0.71073","MoKα","","0.0579","0.0436","","","0.0879","0.094","","","","","","1.111","","","","has coordinates,has disorder","213211","2020-10-21","18:00:00",""
"7122873","8.9436","0.0002","19.1201","0.0005","10.6304","0.0002","90","","90","","90","","1817.83","0.07","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","FLG-Thia","","- C22 H21 P S -","- C22 H21 P S -","- C88 H84 P4 S4 -","4","1","","Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands","Chemical Communications","2019","","","","","10.1039/C8CC09892A","","x-ray","1.54178","CuKα","","0.0663","0.0656","","","0.166","0.167","","","","","","1.144","","","","has coordinates,has disorder","213211","2020-10-21","18:00:00",""
"7122874","12.1584","0.0006","13.9761","0.0006","15.1772","0.0008","90","","102.748","0.003","90","","2515.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","FLG-06","","- C27 H21 Mo O5 P S -","- C27 H21 Mo O5 P S -","- C108 H84 Mo4 O20 P4 S4 -","4","1","","Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands","Chemical Communications","2019","","","","","10.1039/C8CC09892A","","","0.71073","MoKα","","0.0438","0.0394","","","0.0819","0.0835","","","","","","1.191","","","","has coordinates,has disorder","213211","2020-10-21","18:00:00",""
"7122875","20.8632","0.0017","20.9777","0.0019","21.0033","0.0018","105.168","0.003","105.407","0.002","104.914","0.002","8008.1","1.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C222 H276 Mo6 N90 Ni12 O6 -","- C222 H276 Mo6 N90 Ni12 O6 -","- C222 H276 Mo6 N90 Ni12 O6 -","1","0.5","","Kempe, David Kenneth; Dolinar, Brian; Vignesh, Kuduva R.; Woods, Toby; Saber, Mohamed R.; Dunbar, Kim R.","A cyanide-bridged wheel featuring a seven-coordinate Mo(III) center","Chemical Communications","2019","","","","","10.1039/C8CC09373C","","x-ray","0.71073","MoKα","","0.1361","0.0881","","","0.1838","0.211","","","","","","1.03","","","","has coordinates,has disorder","213212","2020-10-21","18:00:00",""
"7122876","33.6548","0.0008","33.6548","0.0008","24.819","0.0006","90","","90","","120","","24345","1","100","","100","","","","","","","","","6","R -3","-R 3","148","","[MoIV(CN)8]6[Ni(L)]12(H2O)6","","- C38 H46 Mo N16 Ni2 O -","- C38 H46 Mo N16 Ni2 O -","- C684 H828 Mo18 N288 Ni36 O18 -","18","","","Kempe, David Kenneth; Dolinar, Brian; Vignesh, Kuduva R.; Woods, Toby; Saber, Mohamed R.; Dunbar, Kim R.","A cyanide-bridged wheel featuring a seven-coordinate Mo(III) center","Chemical Communications","2019","","","","","10.1039/C8CC09373C","","x-ray","1.54178","CuKα","","0.0418","0.0346","","","0.0863","0.0894","","","","","","1.051","","","","has coordinates","213212","2020-10-21","18:00:00",""
"7122877","10.2847","0.0012","16.3302","0.0019","9.065","0.0009","90","","111.856","0.003","90","","1413","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Liu, Rai-Shung; Hsieh, Hsiang-Chu; Tan, Kuo-Chen; Kulandai Raj, Antony Sekar","Gold-catalyzed [4+1]-Annulation Reactions between Anthranils and 4-Methoxy-1,2-dienyl-5-ynes Involving a 1,2-Allene Shift","Chemical Communications","2019","","","","","10.1039/C8CC09082C","","","0.71073","MoKα","","0.1011","0.0679","","","0.1451","0.1621","","","","","","1.08","","","","has coordinates","213237","2020-10-21","18:00:00",""
"7122878","7.161","0.002","13.323","0.003","35.586","0.007","90","0.03","95.42","0.03","90","0.03","3379.9","1.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","2","","Liu, Rai-Shung; Hsieh, Hsiang-Chu; Tan, Kuo-Chen; Kulandai Raj, Antony Sekar","Gold-catalyzed [4+1]-Annulation Reactions between Anthranils and 4-Methoxy-1,2-dienyl-5-ynes Involving a 1,2-Allene Shift","Chemical Communications","2019","","","","","10.1039/C8CC09082C","","","0.71073","MoKα","","0.1005","0.0501","","","0.1086","0.1362","","","","","","1.032","","","","has coordinates","213237","2020-10-21","18:00:00",""
"7122879","8.381","0.0003","13.165","0.0005","13.3041","0.0005","90","","97.823","0.002","90","","1454.26","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Liu, Rai-Shung; Hsieh, Hsiang-Chu; Tan, Kuo-Chen; Kulandai Raj, Antony Sekar","Gold-catalyzed [4+1]-Annulation Reactions between Anthranils and 4-Methoxy-1,2-dienyl-5-ynes Involving a 1,2-Allene Shift","Chemical Communications","2019","","","","","10.1039/C8CC09082C","","","0.71073","MoKα","","0.0507","0.0399","","","0.0957","0.1031","","","","","","1.038","","","","has coordinates,has disorder","213237","2020-10-21","18:00:00",""
"7122880","15.295","0.01","15.702","0.011","12.864","0.006","90","","90","","90","","3089","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H34 Co2 N20 O19 U4 -","- C52 H34 Co2 N20 O19 U4 -","- C104 H68 Co4 N40 O38 U8 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.0532","0.0401","","","0.0889","0.0926","","","","","","1.205","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7122881","12.005","0.002","15.276","0.003","9.8911","0.0016","90","","106.734","0.004","90","","1737.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H20 N10 O11 Pt U2 -","- C26 H20 N10 O11 Pt U2 -","- C52 H40 N20 O22 Pt2 U4 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.0688","0.0489","","","0.1168","0.1245","","","","","","1.075","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7122882","15.3955","0.0013","15.9373","0.0013","12.8288","0.0011","90","","90","","90","","3147.7","0.5","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H34 Ir2 N20 O19 U4 -","- C52 H34 Ir2 N20 O19 U4 -","- C104 H68 Ir4 N40 O38 U8 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.0645","0.0455","","","0.1117","0.1186","","","","","","1.084","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7122883","15.1624","0.0011","15.9478","0.0011","12.7421","0.001","90","","90","","90","","3081.1","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52 H34 N20 O18.2 Rh2 U4 -","- C52 H34 N20 O18.2 Rh2 U4 -","- C104 H68 N40 O36.4 Rh4 U8 -","2","0.25","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara","Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks","Chemical Communications","2019","","","","","10.1039/C8CC09757G","","x-ray","0.71073","MoKα","","0.103","0.0556","","","0.1273","0.1405","","","","","","1.013","","","","has coordinates","213238","2020-10-21","18:00:00",""
"7122884","10.3607","0.0004","17.7044","0.0007","15.4415","0.0007","90","","100.79","0.002","90","","2782.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C112 H152 N8 O16 S8 -","8","2","","Wang, Xuefeng; Li, Haozhe; Qiu, Guanyinsheng; Wu, Jie","Substituted Hantzsch esters as radical reservoirs with the insertion of sulfur dioxide under photoredox catalysis","Chemical Communications","2019","","","","","10.1039/C8CC10246E","","","1.34138","GaKα","","0.0674","0.0583","","","0.1692","0.1782","","","","","","1.06","","","","has coordinates","213260","2020-10-21","18:00:00",""
"7122885","22.656","0.003","5.7765","0.0007","17.163","0.002","90","","90","","90","","2246.2","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 N3 S -","- C14 H9 N3 S -","- C112 H72 N24 S8 -","8","2","","Kuang, Jinqiang; Xia, Yuanzhi; Yang, An; Zhang, Heng; Su, Chenliang; Lee, Daesung","Copper-catalyzed aminothiolation of terminal alkynes with tunable regioselectivity","Chemical Communications","2019","","","","","10.1039/C8CC09122F","","","0.71073","MoKα","","0.038","0.0366","","","0.0976","0.0988","","","","","","1.09","","","","has coordinates","213261","2020-10-21","18:00:00",""
"7122886","6.0135","0.0003","16.9336","0.0008","15.2048","0.0007","90","","91.429","0.003","90","","1547.83","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Bose, Anima; Maiti, Saikat; Sau, Sudip; Mal, Prasenjit","An Intramolecular C(sp3)−H Imination using PhI-mCPBA","Chemical Communications","2019","","","","","10.1039/C8CC09100E","","","0.71073","MoKα","","0.0762","0.0452","","","0.1036","0.118","","","","","","1.039","","","","has coordinates","213262","2020-10-21","18:00:00",""
"7122887","9.3816","0.0002","10.7214","0.0002","11.0369","0.0002","106.328","0.002","109.83","0.002","107.983","0.002","896.17","0.04","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Bose, Anima; Maiti, Saikat; Sau, Sudip; Mal, Prasenjit","An Intramolecular C(sp3)−H Imination using PhI-mCPBA","Chemical Communications","2019","","","","","10.1039/C8CC09100E","","x-ray","1.54184","CuKα","","0.1075","0.1","","","0.2774","0.2917","","","","","","1.211","","","","has coordinates","213262","2020-10-21","18:00:00",""
"7122888","12.6909","0.0002","13.7931","0.0002","27.404","0.0005","90.1257","0.0015","90.0016","0.0015","98.397","0.0014","4745.55","0.13","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H50 Cl2 Co2 N8 O4 -","- C46 H50 Cl2 Co2 N8 O4 -","- C184 H200 Cl8 Co8 N32 O16 -","4","4","","Saund, Simran S.; Goldschmid, Samantha L.; Ng, Karina; Stewart, Veronica J.; Siegler, Maxime A.; Thoi, V. Sara","Exploring Ligand Non-Innocence of Coordinatively-Versatile Diamidodipyrrinato Cobalt Complexes","Chemical Communications","2019","","","","","10.1039/C8CC08674E","","","0.71073","MoKα","","0.0487","0.0397","","","0.0854","0.0913","","","","","","1.02","","","","has coordinates,has disorder","213263","2020-10-21","18:00:00",""
"7122889","9.49785","0.00011","23.1796","0.0003","21.4226","0.0003","90","","99.9425","0.0012","90","","4645.49","0.11","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Co N8 O5 -","- C46 H52 Co N8 O5 -","- C184 H208 Co4 N32 O20 -","4","1","","Saund, Simran S.; Goldschmid, Samantha L.; Ng, Karina; Stewart, Veronica J.; Siegler, Maxime A.; Thoi, V. Sara","Exploring Ligand Non-Innocence of Coordinatively-Versatile Diamidodipyrrinato Cobalt Complexes","Chemical Communications","2019","","","","","10.1039/C8CC08674E","","","1.54178","CuKα","","0.0535","0.0455","","","0.1127","0.1182","","","","","","1.024","","","","has coordinates,has disorder","213263","2020-10-21","18:00:00",""
"7122890","15.367","0.0004","11.7885","0.0003","8.593","0.0003","90","","97.977","0.001","90","","1541.59","0.08","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Lu, Liang-Qiu; Liu, Jie; Li, Miao-Miao; Qu, Bao-Le; Xiao, Wen-Jing","Photoinduced Wolff rearrangement/Pd-catalyzed [3+2] cycloaddition sequence: an unexpected route to tetrahydrofurans","Chemical Communications","2019","","","","","10.1039/C8CC10157D","","","1.54178","CuKα","","0.0607","0.0592","","","0.1674","0.1689","","","","","","1.055","","","","has coordinates","213264","2020-10-21","18:00:00",""
"7122891","7.7342","0.0005","11.9996","0.0008","14.6465","0.001","97.469","0.002","92.265","0.002","91.035","0.002","1346.35","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 F N4 O5 -","- C32 H25 F N4 O5 -","- C64 H50 F2 N8 O10 -","2","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Saravanan, Arjunan; Arasakumar, Thangaraj; Subashini, Gopalan; Suresh, Thangaraj; Shankar, Ramasamy; Mohan, Palathurai Subramaniam","Synthesis and X-ray study of dispiro 8-nitroquinolone analogues and their cytotoxic properties against human cervical cancer HeLa cells.","MedChemComm","2019","10","3","439","449","10.1039/c8md00482j","","","0.71073","MoKα","","0.0602","0.0483","","","0.1267","0.135","","","","","","1.045","","","","has coordinates","224649","2020-10-21","18:00:00",""
"7122892","8.6477","0.0008","11.2357","0.0009","19.398","0.002","93.148","0.005","91.419","0.002","111.817","0.002","1745.1","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 Ca K N3 Si6 -","- C18 H54 Ca K N3 Si6 -","- C36 H108 Ca2 K2 N6 Si12 -","2","1","","Speight, Isaiah R.; Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.","Mechanochemically directed metathesis in Group 2 chemistry: Calcium amide formation without solvent","Chemical Communications","2019","","","","","10.1039/C8CC10155H","","","0.71073","MoKα","","0.0422","0.0327","","","0.0794","0.084","","","","","","1.062","","","","has coordinates","213300","2020-10-21","18:00:00",""
"7122893","15.4239","0.0009","5.6575","0.0002","12.2794","0.0008","90","","112.051","0.007","90","","993.13","0.11","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Li, Yibiao; Luo, XIanglin; Chen, Xiuwen; Chen, Lu; Zhang, Kun","Xanthate-Mediated Synthesis of (E)-Alkenes by Semi-Hydrogenation of Alkynes Using Water as the Hydrogen Donor","Chemical Communications","2019","","","","","10.1039/C9CC00128J","","x-ray","0.71073","MoKα","","0.0499","0.0427","","","0.1114","0.119","","","","","","1.015","","","","has coordinates","213301","2020-10-21","18:00:00",""
"7122894","10.103","0.002","15.864","0.004","16.92","0.004","90","","90","","90","","2711.8","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl3 N O -","- C12 H14 Cl3 N O -","- C96 H112 Cl24 N8 O8 -","8","1","","Huang, Xin; Zhao, Weizhao; Chen, De-Li; Zhan, Yaling; Zeng, Tingting; Jin, Huiquan; Peng, Bo","Benzyne-Mediated Trichloromethylation of Chiral Oxazolines","Chemical Communications","2019","","","","","10.1039/C9CC00557A","","","0.71073","MoKα","","0.1086","0.073","","","0.2385","0.264","","","","","","1.679","","","","has coordinates","213302","2020-10-21","18:00:00",""
"7122895","9.1331","0.0004","10.0289","0.0005","40.907","0.002","90","","90","","90","","3746.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl4 N O S -","- C17 H17 Cl4 N O S -","- C136 H136 Cl32 N8 O8 S8 -","8","2","","Huang, Xin; Zhao, Weizhao; Chen, De-Li; Zhan, Yaling; Zeng, Tingting; Jin, Huiquan; Peng, Bo","Benzyne-Mediated Trichloromethylation of Chiral Oxazolines","Chemical Communications","2019","","","","","10.1039/C9CC00557A","","","0.71073","MoKα","","0.0324","0.0314","","","0.0666","0.0667","","","","","","3.524","","","","has coordinates","213302","2020-10-21","18:00:00",""
"7122896","10.1547","0.0005","12.0754","0.0005","15.9307","0.0006","110.603","0.004","90.185","0.004","92.969","0.004","1825.58","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","S-L-Cd","","","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","1","1","","Deng, Wen-Ting; Qu, Hang; Huang, Zhe-Yu; Shi, Lin; Tang, Zhiyong; Cao, Xiaoyu; Tao, Jun","Facile Synthesis of Homochiral Compounds Integrating Circularly Polarized Luminescence and Two-Photon Excited Fluorescence","Chemical Communications","2019","","","","","10.1039/C8CC08947G","","x-ray","1.54184","CuKα","","0.0493","0.0487","","","0.1237","0.124","","","","","","1.042","","","","has coordinates","213324","2020-10-21","18:00:00",""
"7122897","10.156","0.0003","12.1202","0.0003","15.929","0.0004","110.664","0.002","90.32","0.002","93.114","0.002","1831.25","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","R-L-Cd","","","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","- C72 H64 Cd N6 O15 -","1","1","","Deng, Wen-Ting; Qu, Hang; Huang, Zhe-Yu; Shi, Lin; Tang, Zhiyong; Cao, Xiaoyu; Tao, Jun","Facile Synthesis of Homochiral Compounds Integrating Circularly Polarized Luminescence and Two-Photon Excited Fluorescence","Chemical Communications","2019","","","","","10.1039/C8CC08947G","","x-ray","1.54184","CuKα","","0.0439","0.0436","","","0.1147","0.1153","","","","","","1.03","","","","has coordinates","213324","2020-10-21","18:00:00",""
"7122898","10.5847","0.0011","10.7181","0.0011","12.7511","0.0013","93.57","0.006","109.312","0.005","116.93","0.006","1177.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1B","","","- C10 H34 B21 N -","- C10 H34 B21 N -","- C20 H68 B42 N2 -","2","1","","Yruegas, Sam; Axtell, Jonathan; Kirlikovali, Kent; Spokoyny, Alex; Martin, Caleb Daniel","Synthesis of 9-Borafluorene Analogues Featuring a Three-Dimensional 1,1’-Bis(o-carborane) Backbone","Chemical Communications","2019","","","","","10.1039/C8CC10087J","","","0.71073","MoKα","","0.0986","0.0546","","","0.1226","0.1399","","","","","","1.055","","","","has coordinates","213325","2020-10-21","18:00:00",""
"7122899","11.739","0.0007","16.5577","0.0011","19.2181","0.0013","90","","96.68","0.002","90","","3710.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 B21 N -","- C18 H36 B21 N -","- C72 H144 B84 N4 -","4","1","","Yruegas, Sam; Axtell, Jonathan; Kirlikovali, Kent; Spokoyny, Alex; Martin, Caleb Daniel","Synthesis of 9-Borafluorene Analogues Featuring a Three-Dimensional 1,1’-Bis(o-carborane) Backbone","Chemical Communications","2019","","","","","10.1039/C8CC10087J","","","0.71073","MoKα","","0.1156","0.0988","","","0.2753","0.2898","","","","","","1.048","","","","has coordinates,has disorder","213325","2020-10-21","18:00:00",""
"7122900","12.776","0.002","16.835","0.003","19.684","0.003","90","","90.849","0.008","90","","4233.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Co2 N3 O16 P4 -","- C40 H49 Co2 N3 O16 P4 -","- C160 H196 Co8 N12 O64 P16 -","4","1","","Zorlu, Yunus; Erbahar , Doğan; Çetinkaya, Ahmet; Bulut , Aysun; Erkal, Turan Selman; Yazaydin, Ozgur; Beckmann, Jens; Yücesan, Gündoğ","A Cobalt Arylphosphonate MOF ‒ Superior Stability, Sorption and Curie Magnetism Properties","Chemical Communications","2019","","","","","10.1039/C8CC09655D","","","0.71073","MoKα","","0.1672","0.0835","","","0.2087","0.2428","","","","","","1.039","","","","has coordinates","213327","2020-10-21","18:00:00",""
"7122901","10.039","0.002","10.144","0.002","13.835","0.003","103.4","0.02","97.39","0.02","114.85","0.03","1202.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H74 Al2 N4 Si2 -","- C48 H74 Al2 N4 Si2 -","- C48 H74 Al2 N4 Si2 -","1","0.5","","Roesky, Herbert W.; Li, Jiancheng; Mingdong, Zhong; Keil, Helena; Zhu, Hongping; Herbst-Irmer, Regine; Stalke, Dietmar; Koley, Debasis; De, Sriman","(PhC(NtBu)2Al)2(SiH2)4 Six-Membered Heterocycle: Comparable in Structure to Cyclohexane","Chemical Communications","2019","","","","","10.1039/C8CC10124H","","","0.56086","AgKα","","0.0492","0.037","","","0.0896","0.0955","","","","","","1.041","","","","has coordinates,has disorder","213328","2020-10-21","18:00:00",""
"7122902","18.949","0.002","11.775","0.002","20.216","0.003","90","","102.27","0.02","90","","4407.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H68 Al2 N4 Si2 -","- C39.5 H68 Al2 N4 Si2 -","- C158 H272 Al8 N16 Si8 -","4","1","","Roesky, Herbert W.; Li, Jiancheng; Mingdong, Zhong; Keil, Helena; Zhu, Hongping; Herbst-Irmer, Regine; Stalke, Dietmar; Koley, Debasis; De, Sriman","(PhC(NtBu)2Al)2(SiH2)4 Six-Membered Heterocycle: Comparable in Structure to Cyclohexane","Chemical Communications","2019","","","","","10.1039/C8CC10124H","","","0.71073","MoKα","","0.0547","0.0368","","","0.0834","0.0922","","","","","","1.016","","","","has coordinates,has disorder","213328","2020-10-21","18:00:00",""
"7122903","13.559","0.002","8.253","0.002","17.689","0.003","90","","103.31","0.02","90","","1926.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Al2 N4 Si4 -","- C30 H54 Al2 N4 Si4 -","- C60 H108 Al4 N8 Si8 -","2","0.5","","Roesky, Herbert W.; Li, Jiancheng; Mingdong, Zhong; Keil, Helena; Zhu, Hongping; Herbst-Irmer, Regine; Stalke, Dietmar; Koley, Debasis; De, Sriman","(PhC(NtBu)2Al)2(SiH2)4 Six-Membered Heterocycle: Comparable in Structure to Cyclohexane","Chemical Communications","2019","","","","","10.1039/C8CC10124H","","","0.71073","MoKα","","0.0557","0.041","","","0.1052","0.1143","","","","","","1.052","","","","has coordinates,has disorder","213328","2020-10-21","18:00:00",""
"7122904","5.2851","0.0006","11.5101","0.001","23.475","0.002","90","","93.36","0.009","90","","1425.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C72 H72 O12 -","6","1.5","","Fernandes, Rodney Agustinho; Kunkalkar, Rupesh A.","Lewis Acid-Catalyzed Annulative Partial Dimerization of 3-Aryloxyacrylates to 4-Arylchroman-2-ones: Synthesis of Analogues of Tolterodine, RORγ Inhibitor and a GPR40 Agonist","Chemical Communications","2019","","","","","10.1039/C8CC09785B","","x-ray","0.71073","MoKα","","0.0865","0.0566","","","0.1223","0.1507","","","","","","1.052","","","","has coordinates","213369","2020-10-21","18:00:00",""
"7122905","25.6777","0.001","15.169","0.006","8.027","0.003","90","","90","","90","","3126.6","1.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","1","","Fernandes, Rodney Agustinho; Kunkalkar, Rupesh A.","Lewis Acid-Catalyzed Annulative Partial Dimerization of 3-Aryloxyacrylates to 4-Arylchroman-2-ones: Synthesis of Analogues of Tolterodine, RORγ Inhibitor and a GPR40 Agonist","Chemical Communications","2019","","","","","10.1039/C8CC09785B","","","0.7107","MoKα","","0.067","0.0555","","","0.1316","0.1395","","","","","","1.088","","","","has coordinates","213369","2020-10-21","18:00:00",""
"7122906","11.8361","0.0004","11.0288","0.0004","17.3634","0.0006","90","","92.3283","0.001","90","","2264.71","0.14","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N18 O8 -","- C14 H18 N18 O8 -","- C56 H72 N72 O32 -","4","0.5","","Snyder, Christopher; Wells, Lucille; Chavez, David; Imler, Gregory H.; Parrish, Damon A.","Polycyclic N-Oxides: High Performing, Low Sensitivity Energetic Materials","Chemical Communications","2019","","","","","10.1039/C8CC09653H","","","0.71073","MoKα","","0.0434","0.0352","","","0.0947","0.0998","","","","","","1.045","","","","has coordinates","213370","2020-10-21","18:00:00",""
"7122907","5.5158","0.0003","9.6613","0.0005","27.7811","0.0014","90","","93.635","0.002","90","","1477.47","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N11 O6 -","- C10 H9 N11 O6 -","- C40 H36 N44 O24 -","4","1","","Snyder, Christopher; Wells, Lucille; Chavez, David; Imler, Gregory H.; Parrish, Damon A.","Polycyclic N-Oxides: High Performing, Low Sensitivity Energetic Materials","Chemical Communications","2019","","","","","10.1039/C8CC09653H","","","1.54178","CuKα","","0.07","0.0621","","","0.161","0.1714","","","","","","1.101","","","","has coordinates","213370","2020-10-21","18:00:00",""
"7122908","9.5919","0.0004","12.883","0.0006","17.5266","0.0008","100.243","0.001","96.534","0.001","101.589","0.002","2062.57","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N30 O12 -","- C26 H32 N30 O12 -","- C52 H64 N60 O24 -","2","1","","Snyder, Christopher; Wells, Lucille; Chavez, David; Imler, Gregory H.; Parrish, Damon A.","Polycyclic N-Oxides: High Performing, Low Sensitivity Energetic Materials","Chemical Communications","2019","","","","","10.1039/C8CC09653H","","","0.71073","MoKα","","0.1455","0.0704","","","0.193","0.2405","","","","","","1.043","","","","has coordinates,has disorder","213370","2020-10-21","18:00:00",""
"7122909","18.754","0.003","18.809","0.003","25.655","0.004","90","","108.127","0.003","90","","8601","2","153","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H102 I3 N12 Nd O6 -","- C87 H102 I3 N12 Nd O6 -","- C348 H408 I12 N48 Nd4 O24 -","4","1","","Lehman-Andino, Ingrid; Su, Jing; Papathanasiou, Konstantinos E.; Eaton, Teresa M.; Jian, Jiwen; Dan, David; Albrecht-Schmitt, Thomas; Dares, Christopher; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Kavallieratos, Konstantinos","Soft-donor dipicolinamide derivatives for selective actinide(III) / lanthanide(III) separation: The role of S- vs. O-donor sites","Chemical Communications","2019","","","","","10.1039/C8CC07683A","","","0.71073","MoKα","","0.0602","0.0498","","","0.1214","0.1269","","","","","","1.073","","","","has coordinates,has disorder","213394","2020-10-21","18:00:00",""
"7122910","9.4055","0.001","20.834","0.002","9.2746","0.001","90","","107.844","0.003","90","","1730","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Kroc, Michelle A.; Markiewicz, Maciej; Pace, Wiktoria H.; Wink, Donald; Anderson, Laura","Catalyst-Controlled Cascade Synthesis of Bridged Bicyclic Tetrahydrobenz[b]azepine-4-ones","Chemical Communications","2019","","","","","10.1039/C8CC10313E","","","0.71073","MoKα","","0.0984","0.0506","","","0.1247","0.1471","","","","","","0.962","","","","has coordinates","213395","2020-10-21","18:00:00",""
"7122911","30.809","0.002","7.0596","0.0005","18.542","0.0014","90","","110.172","0.002","90","","3785.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C168 H160 Br8 N8 O24 -","8","1","","Kroc, Michelle A.; Markiewicz, Maciej; Pace, Wiktoria H.; Wink, Donald; Anderson, Laura","Catalyst-Controlled Cascade Synthesis of Bridged Bicyclic Tetrahydrobenz[b]azepine-4-ones","Chemical Communications","2019","","","","","10.1039/C8CC10313E","","","0.71073","MoKα","","0.0933","0.0787","","","0.2498","0.2584","","","","","","2.095","","","","has coordinates","213395","2020-10-21","18:00:00",""
"7122912","11.1115","0.0013","11.3585","0.0016","12.7308","0.0015","67.602","0.012","67.891","0.011","62.042","0.013","1273.1","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,3,6,7,10,11-Hexahydroxy-4b,8b,12b,12d-tetramethyltribenzo-triquinacene tetrahydrofuran (1/1) methanol (0.5/0.15) solvate","","- C30.15 H32.6 O7.15 -","- C30.15 H32.6 O7.15 -","- C60.3 H65.2 O14.3 -","2","1","","Greatorex, Sam; Vincent, Kevin B.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Patmore, Nathan John; Sproules, Stephen; Halcrow, Malcolm","Rigidification of a Macrocyclic Tris-Catecholate Scaffold Leads to Electronic Localisation of its Mixed Valent Redox Product","Chemical Communications","2019","","","","","10.1039/C8CC10122A","","","1.54184","CuKα","","0.1092","0.0815","","","0.2193","0.2474","","","","","","1.036","","","","has coordinates","213407","2020-10-21","18:00:00",""
"7122913","21.72","0.003","6.2838","0.0009","25.272","0.004","90","","105.274","0.003","90","","3327.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 F4 I P -","- C18 H10 F4 I P -","- C144 H80 F32 I8 P8 -","8","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.024","0.0225","","","0.0512","0.0517","","","","","","1.245","","","","has coordinates","213408","2020-10-21","18:00:00",""
"7122914","8.8141","0.0004","17.77","0.0009","13.759","0.0007","90","","103.041","0.0018","90","","2099.45","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O3 P Rh -","- C23 H21 N O3 P Rh -","- C92 H84 N4 O12 P4 Rh4 -","4","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.0553","0.0376","","","0.0717","0.0788","","","","","","1.057","","","","has coordinates","213408","2020-10-21","18:00:00",""
"7122915","10.9475","0.0006","20.2025","0.0011","16.518","0.0008","90","","90.8406","0.0013","90","","3652.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 F4 I N O2 P2 Rh -","- C40 H31 F4 I N O2 P2 Rh -","- C160 H124 F16 I4 N4 O8 P8 Rh4 -","4","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.044","0.0309","","","0.0623","0.0676","","","","","","1.03","","","","has coordinates,has disorder","213408","2020-10-21","18:00:00",""
"7122916","9.3666","0.0003","16.2246","0.0005","15.3879","0.0005","90","","98.1649","0.0008","90","","2314.78","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 F4 I O3 P Rh -","- C24 H17 F4 I O3 P Rh -","- C96 H68 F16 I4 O12 P4 Rh4 -","4","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.04","0.0334","","","0.076","0.0796","","","","","","1.045","","","","has coordinates","213408","2020-10-21","18:00:00",""
"7122917","14.169","0.003","17.588","0.002","15.87","0.002","90","","105.695","0.005","90","","3807.4","1","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl4.83 F4 I1.17 N O0 P2 Rh -","- C37 H28 Cl4.834 F4 I1.166 N P2 Rh -","- C148 H112 Cl19.336 F16 I4.664 N4 P8 Rh4 -","4","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.0781","0.0489","","","0.1107","0.1251","","","","","","1.036","","","","has coordinates,has disorder","213408","2020-10-21","18:00:00",""
"7122918","13.7054","0.0007","17.79","0.001","19.4855","0.0011","75.04","0.001","70.304","0.001","78.784","0.001","4291.1","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H34 B Cl2 F8 I N P2 Rh -","- C43 H34 B Cl2 F8 I N P2 Rh -","- C172 H136 B4 Cl8 F32 I4 N4 P8 Rh4 -","4","2","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.0941","0.052","","","0.1159","0.1352","","","","","","1.063","","","","has coordinates,has disorder","213408","2020-10-21","18:00:00",""
"7122919","14.2279","0.0014","21.336","0.002","21.634","0.002","90","","90","","90","","6567.4","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 N2 O2 P2 Rh -","- C39 H35 N2 O2 P2 Rh -","- C312 H280 N16 O16 P16 Rh8 -","8","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.0471","0.0312","","","0.073","0.0819","","","","","","1.045","","","","has coordinates","213408","2020-10-21","18:00:00",""
"7122920","7.7054","0.001","7.7262","0.001","10.1822","0.001","72.574","0.01","84.285","0.01","61.737","0.01","508.77","0.12","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- La2 O7 Pb4 -","- La2 O7 Pb4 -","- La4 O14 Pb8 -","2","1","","Colmont, Marie; Lemoine, Kevin; Roussel, Pascal; Kabbour, Houria; Olchowka, Jacob; Henry, Natacha; Hagemann, Hans; Mentré, Olivier","Identification and optical features of the Pb4Ln2O7 series (Ln = La, Gd, Sm, Nd), genuine 2D-van der Waals oxides.","Chemical Communications","2019","","","","","10.1039/C8CC07707J","","","0.71073","MoKα","","0.0518","0.0465","","0.0437","0.0405","0.0401","","","","","","0.9535","","","","has coordinates","213409","2020-10-21","18:00:00",""
"7122921","25.0798","0.0003","8.7036","0.0001","8.7625","0.0001","90","","92.653","0.001","90","","1910.67","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 I4 N2 Pb -","- C40 H40 I4 N2 Pb -","- C80 H80 I8 N4 Pb2 -","2","0.5","","Van Gompel, Wouter T.M.; Herckens, Roald; Van Hecke, Kristof; Ruttens, Bart; D'Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Towards 2D layered hybrid perovskites with enhanced functionality: introducing charge-transfer complexes via self-assembly","Chemical Communications","2019","","","","","10.1039/C8CC09955C","","x-ray","0.71073","MoKα","","0.0247","0.0211","","","0.0437","0.0451","","","","","","1.052","","","","has coordinates","213431","2020-10-21","18:00:00",""
"7122922","15.7487","0.001","7.427","0.005","17.812","0.011","90","","96.731","0.008","90","","2069","1.9","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,2-Ph shift","Dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C26 H20 O5 -","- C26 H20 O5 -","- C104 H80 O20 -","4","1","","Murai, Masahito; Ogita, Takuya; Takai, Kazuhiko","Regioselective Arene Homologation through Rhenium-Catalyzed Deoxygenative Aromatization of 7-Oxabicyclo[2.2.1]hepta-2,5-dienes","Chemical Communications","2019","","","","","10.1039/C9CC00270G","","","0.71075","MoKα","","0.1148","0.0994","","","0.2134","0.2221","","","","","","1.242","","","","has coordinates","213432","2020-10-21","18:00:00",""
"7122923","3.543","0.005","18.058","0.008","10.517","0.012","90","","92.35","0.1","90","","672.3","1.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Li0.4 N2 Na0.6 O5 -","- C5 H5 Li0.4 N2 Na0.6 O5 -","- C20 H20 Li1.6 N8 Na2.4 O20 -","4","1","","Lestari, Monica; Lusi, Matteo","A mixed molecular salt of lithium and sodium breaks the Hume-Rothery rules for solid solutions","Chemical Communications","2019","","","","","10.1039/C8CC09850F","","","1.54178","CuKα","","0.2301","0.1123","","","0.2684","0.3452","","","","","","1.041","","","","has coordinates,has disorder","213480","2020-10-21","18:00:00",""
"7122924","3.5627","0.0002","18.0624","0.0007","10.6069","0.0004","90","","92.132","0.003","90","","682.09","0.05","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N2 Na O5 -","- C5 H5 N2 Na O5 -","- C20 H20 N8 Na4 O20 -","4","1","","Lestari, Monica; Lusi, Matteo","A mixed molecular salt of lithium and sodium breaks the Hume-Rothery rules for solid solutions","Chemical Communications","2019","","","","","10.1039/C8CC09850F","","","1.54178","CuKα","","0.0921","0.0579","","","0.1387","0.1682","","","","","","1.018","","","","has coordinates","213480","2020-10-21","18:00:00",""
"7122925","3.5184","0.0002","18.1563","0.0011","10.3331","0.0006","90","","90.778","0.004","90","","660.03","0.07","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","- C20 H20 Li4 N8 O20 -","4","1","","Lestari, Monica; Lusi, Matteo","A mixed molecular salt of lithium and sodium breaks the Hume-Rothery rules for solid solutions","Chemical Communications","2019","","","","","10.1039/C8CC09850F","","","1.54178","CuKα","","0.0708","0.0439","","","0.1053","0.1236","","","","","","1.072","","","","has coordinates","213480","2020-10-21","18:00:00",""
"7122926","3.5356","0.0002","18.1159","0.0012","10.4169","0.0007","90","","91.693","0.004","90","","666.92","0.07","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Li0.68 N2 Na0.32 O5 -","- C5 H5 Li0.676 N2 Na0.324 O5 -","- C20 H20 Li2.704 N8 Na1.296 O20 -","4","1","","Lestari, Monica; Lusi, Matteo","A mixed molecular salt of lithium and sodium breaks the Hume-Rothery rules for solid solutions","Chemical Communications","2019","","","","","10.1039/C8CC09850F","","","1.54178","CuKα","","0.1129","0.0987","","","0.2012","0.2083","","","","","","1.173","","","","has coordinates,has disorder","213480","2020-10-21","18:00:00",""
"7122927","9.9771","0.0004","21.9776","0.0007","10.192","0.0004","90","","117.372","0.005","90","","1984.62","0.16","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 B10 P3 -","- C10 H29 B10 P3 -","- C40 H116 B40 P12 -","4","1","","Hey-Hawkins, Evamarie; Coburger, Peter; Gruetzmacher, Hansjoerg","Molecular Doping: Accessing the First Carborane-substituted 1,2,3-Triphospholanide via Insertion of P− into a P−P bond","Chemical Communications","2019","","","","","10.1039/C9CC00205G","","","0.71073","MoKα","","0.0905","0.0672","","","0.159","0.1705","","","","","","1.117","","","","has coordinates,has disorder","213481","2020-10-21","18:00:00",""
"7122928","28.5977","0.0009","12.051","0.0005","16.6081","0.0005","90","","124.396","0.003","90","","4722.9","0.3","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.8 H25.6 B8 Cl0.8 P2.4 -","- C10.8 H25.6 B8 Cl0.8 P2.4 -","- C108 H256 B80 Cl8 P24 -","10","1.25","","Hey-Hawkins, Evamarie; Coburger, Peter; Gruetzmacher, Hansjoerg","Molecular Doping: Accessing the First Carborane-substituted 1,2,3-Triphospholanide via Insertion of P− into a P−P bond","Chemical Communications","2019","","","","","10.1039/C9CC00205G","","","0.71073","MoKα","","0.0714","0.0447","","","0.0929","0.1047","","","","","","1.036","","","","has coordinates,has disorder","213481","2020-10-21","18:00:00",""
"7122929","15.4923","0.0003","17.3312","0.0003","18.876","0.0003","105.834","0.001","104.446","0.001","93.69","0.001","4673.8","0.15","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C27.5 H64 B20 P7 -","- C27.5 H64 B20 P7 -","- C110 H256 B80 P28 -","4","2","","Hey-Hawkins, Evamarie; Coburger, Peter; Gruetzmacher, Hansjoerg","Molecular Doping: Accessing the First Carborane-substituted 1,2,3-Triphospholanide via Insertion of P− into a P−P bond","Chemical Communications","2019","","","","","10.1039/C9CC00205G","","","0.71073","MoKα","","0.0551","0.0393","","","0.0888","0.0959","","","","","","1.026","","","","has coordinates,has disorder","213481","2020-10-21","18:00:00",""
"7122930","16.5024","0.0004","11.142","0.0002","19.3013","0.0005","90","","90","","90","","3548.93","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C168 H176 N16 O8 -","8","1","","Sun, Kai; Li, Shi-Jun; Chen, Xiaolan; Liu, Yan; Huang, Xianqiang; Wei, Donghui; Qu, Lingbo; Zhao, Yufen; Yu, Bing","Silver-Catalyzed Decarboxylative Radical Cascade Cyclization toward Benzimidazo[2,1-a]isoquinolin-6(5H)-ones","Chemical Communications","2019","","","","","10.1039/C8CC10243K","","x-ray","1.54184","CuKα","","0.0564","0.0468","","","0.1327","0.1428","","","","","","1.07","","","","has coordinates","213482","2020-10-21","18:00:00",""
"7122931","24.294","0.002","25.167","0.002","27.2","0.003","97.093","0.002","96.008","0.002","97.663","0.002","16231","3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- Ge6 Na15.66 O297.11 Tb13.92 W68 -","- Ge6 Na15.57 O288.2 Tb13.922 W68 -","- Ge12 Na31.14 O576.4 Tb27.844 W136 -","2","1","","Wang, Yong-Jiang; Wu, Shi-Yu; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Octahedron-shaped three-shell Ln14-substituted polyoxotungstogermanates encapsulating a W4O15 cluster: luminescence and frequency dependent magnetic properties","Chemical Communications","2019","","","","","10.1039/C9CC00073A","","","0.71073","MoKα","","0.0929","0.0639","","","0.1557","0.1766","","","","","","1.019","","","","has coordinates","213483","2020-10-21","18:00:00",""
"7122932","12.3427","0.0005","13.0507","0.0004","14.9969","0.0006","90","","107.661","0.003","90","","2301.86","0.15","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 S1.5 Se0.5 -","- C22 H20 Co N6 S1.496 Se0.504 -","- C88 H80 Co4 N24 S5.984 Se2.016 -","4","0.5","","Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian","Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands","Chemical Communications","2019","","","","","10.1039/C8CC09392J","","","0.71073","MoKα","","0.0572","0.0455","","","0.1084","0.1148","","","","","","1.061","","","","has coordinates,has disorder","213484","2020-10-21","18:00:00",""
"7122933","12.3648","0.0005","13.1112","0.0004","15.0007","0.0006","90","","108.097","0.003","90","","2311.57","0.15","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 S1.11 Se0.89 -","- C22 H20 Co N6 S1.112 Se0.888 -","- C88 H80 Co4 N24 S4.448 Se3.552 -","4","0.5","","Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian","Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands","Chemical Communications","2019","","","","","10.1039/C8CC09392J","","","0.71073","MoKα","","0.0418","0.0368","","","0.0926","0.0953","","","","","","1.04","","","","has coordinates,has disorder","213484","2020-10-21","18:00:00",""
"7122934","12.3895","0.0003","13.1754","0.0003","15.0176","0.0004","90","","108.23","0.002","90","","2328.38","0.1","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 S0.64 Se1.36 -","- C22 H20 Co N6 S0.64 Se1.36 -","- C88 H80 Co4 N24 S2.56 Se5.44 -","4","0.5","","Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian","Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands","Chemical Communications","2019","","","","","10.1039/C8CC09392J","","","0.71073","MoKα","","0.0395","0.0346","","","0.0884","0.0913","","","","","","1.09","","","","has coordinates,has disorder","213484","2020-10-21","18:00:00",""
"7122935","12.3704","0.0005","13.1326","0.0006","15.0005","0.0006","90","","108.016","0.003","90","","2317.43","0.17","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 S0.98 Se1.02 -","- C22 H20 Co N6 S0.988 Se1.012 -","- C88 H80 Co4 N24 S3.952 Se4.048 -","4","0.5","","Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian","Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands","Chemical Communications","2019","","","","","10.1039/C8CC09392J","","","0.71073","MoKα","","0.0407","0.0324","","","0.0648","0.0676","","","","","","1.076","","","","has coordinates,has disorder","213484","2020-10-21","18:00:00",""
"7122936","12.3922","0.0007","13.1777","0.0004","15.0173","0.0008","90","","108.244","0.004","90","","2329.1","0.2","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 S0.68 Se1.32 -","- C22 H20 Co N6 S0.678 Se1.322 -","- C88 H80 Co4 N24 S2.712 Se5.288 -","4","0.5","","Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian","Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands","Chemical Communications","2019","","","","","10.1039/C8CC09392J","","","0.71073","MoKα","","0.0424","0.0345","","","0.0745","0.0775","","","","","","1.039","","","","has coordinates,has disorder","213484","2020-10-21","18:00:00",""
"7122937","12.3437","0.0005","13.0497","0.0004","15.0003","0.0007","90","","107.64","0.003","90","","2302.66","0.16","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N6 S1.5 Se0.5 -","- C22 H20 Co N6 S1.486 Se0.514 -","- C88 H80 Co4 N24 S5.944 Se2.056 -","4","0.5","","Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian","Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands","Chemical Communications","2019","","","","","10.1039/C8CC09392J","","","0.71073","MoKα","","0.0572","0.041","","","0.0853","0.0918","","","","","","1.065","","","","has coordinates,has disorder","213484","2020-10-21","18:00:00",""
"7122938","9.3241","0.0003","10.8056","0.0003","11.7204","0.0004","116.878","0.003","104.713","0.003","98.473","0.003","970.58","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H29 K N O3 -","- C19 H29 K N O3 -","- C38 H58 K2 N2 O6 -","2","1","","Huang, Zhe; Tan, Genwen; Chen, Chao; Zhang, Wen-Xiong; Wang, Xinping; Xi, Zhenfeng","Selective reduction of 1,5-diazacyclooctatetraenes: synthesis and structures of aromatic diazacyclooctatetraenyl dianions and 2,6-bipyrrolinyl dianionic Co(II) complex","Chemical Communications","2019","","","","","10.1039/C9CC00075E","","x-ray","0.71073","MoKα","","0.0405","0.0369","","","0.1001","0.1021","","","","","","1.0417","","","","has coordinates","213485","2020-10-21","18:00:00",""
"7122939","23.3208","0.0018","14.4351","0.0012","25.484","0.002","90","","97.497","0.002","90","","8505.5","1.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H112 Co2 N6 -","- C84 H112 Co2 N6 -","- C336 H448 Co8 N24 -","4","1","","Huang, Zhe; Tan, Genwen; Chen, Chao; Zhang, Wen-Xiong; Wang, Xinping; Xi, Zhenfeng","Selective reduction of 1,5-diazacyclooctatetraenes: synthesis and structures of aromatic diazacyclooctatetraenyl dianions and 2,6-bipyrrolinyl dianionic Co(II) complex","Chemical Communications","2019","","","","","10.1039/C9CC00075E","","","0.71073","MoKα","","0.0555","0.0421","","","0.1083","0.1182","","","","","","1.014","","","","has coordinates","213485","2020-10-21","18:00:00",""
"7122940","9.291","0.008","10.358","0.01","11.84","0.01","77.15","0.03","85.43","0.03","72.57","0.06","1059.8","1.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","4,7-dimethyl-1,5-bis(3-(trifluoromethyl)phenyl)-9-oxa-2,3-diazabicyclo[3.3.1]non-3-ene","","- C22 H20 F6 N2 O -","- C22 H20 F6 N2 O -","- C44 H40 F12 N4 O2 -","2","1","","Schmidt, Elena; Semenova, Nadezhda; Ivanova, Elena; Tatarinova, Inna; Ushakov, Igor; Vashchenko, A. V.; Trofimov, Boris","Acetylene-based two-step diastereoselective synthesis of bridgehead dihydro-oxadiazines using ketones and hydrazine as the only reactants","Chemical Communications","2019","","","","","10.1039/C9CC00315K","","","0.71073","MoKα","","0.1057","0.0511","","","0.1171","0.1411","","","","","","1.045","","","","has coordinates,has disorder","213499","2020-10-21","18:00:00",""
"7122941","6.62","0.0012","7.611","0.002","11.639","0.004","86.05","0.03","78.98","0.03","75.04","0.03","556","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Pt S12 -","- C16 H12 Pt S12 -","- C16 H12 Pt S12 -","1","0.5","","Zhou, Biao; Ishibashi, Shoji; Ishii, Tatsuru; Sekine, Takahiko; Takehara, Ryosuke; Miyagawa, Kazuya; Kanoda, Kazushi; Nishibori, Eiji; Kobayashi, Akiko","Single-component molecular conductor [Pt(dmdt)2] — A three-dimensional ambient-pressure molecular Dirac electron system","Chemical Communications","2019","","","","","10.1039/C9CC00218A","","","0.71075","MoKα","","","0.1161","","","","0.3011","","","","","","1.011","","","","has coordinates","213500","2020-10-21","18:00:00",""
"7122942","26.971","0.003","6.4819","0.0007","22.778","0.002","90","","107.072","0.007","90","","3806.7","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 I3 N2 O2 -","- C17 H11 I3 N2 O2 -","- C136 H88 I24 N16 O16 -","8","1","","Singh, Ashish; Samanta, Debabrata; Boro, Mrinal; Maji, Tapas Kumar","Gfp chromophore integrated conjugated microporous polymers: Topological and ESPT effect on emission properties","Chemical Communications","2019","","","","","10.1039/C9CC00357F","","","0.71073","MoKα","","0.045","0.0328","","","0.091","0.1082","","","","","","1.019","","","","has coordinates","213501","2020-10-21","18:00:00",""
"7122943","4.2188","0.0002","32.6154","0.0016","15.1566","0.0008","90","","92.303","0.003","90","","2083.83","0.18","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 I6 N4 O5 -","- C38 H26 I6 N4 O5 -","- C76 H52 I12 N8 O10 -","2","0.5","","Singh, Ashish; Samanta, Debabrata; Boro, Mrinal; Maji, Tapas Kumar","Gfp chromophore integrated conjugated microporous polymers: Topological and ESPT effect on emission properties","Chemical Communications","2019","","","","","10.1039/C9CC00357F","","","0.71073","MoKα","","0.1164","0.068","","","0.1039","0.1166","","","","","","1.125","","","","has coordinates","213501","2020-10-21","18:00:00",""
"7122944","8.3068","0.0004","14.1708","0.0008","13.3787","0.0006","90","","98.617","0.003","90","","1557.08","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F2 N3 O4 -","- C15 H15 F2 N3 O4 -","- C60 H60 F8 N12 O16 -","4","1","","Xia, Peng-Ju; Ye, Zhi-Peng; Song, Dan; Ren, Ji-Wei; Wu, Han-Wen; Xiao, Jun-An; Xiang, Haoyue; Chen, Xiaoqing; Yang, Hua","Photocatalytic reductive radical-radical coupling of N, N'-cyclicazomethine imines with difluorobromo derivatives","Chemical Communications","2019","","","","","10.1039/C8CC09385G","","","0.71073","MoKα","","0.0477","0.0403","","","0.105","0.1113","","","","","","1.034","","","","has coordinates","213517","2020-10-21","18:00:00",""
"7122945","13.8602","0.0006","11.4447","0.0006","9.3074","0.0004","90","","101.885","0.001","90","","1444.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13.5 H16 F2 N2 O3 -","- C14 H16 F2 N2 O3 -","- C56 H64 F8 N8 O12 -","4","1","","Xia, Peng-Ju; Ye, Zhi-Peng; Song, Dan; Ren, Ji-Wei; Wu, Han-Wen; Xiao, Jun-An; Xiang, Haoyue; Chen, Xiaoqing; Yang, Hua","Photocatalytic reductive radical-radical coupling of N, N'-cyclicazomethine imines with difluorobromo derivatives","Chemical Communications","2019","","","","","10.1039/C8CC09385G","","","0.71073","MoKα","","0.0918","0.0618","","","0.1634","0.1823","","","","","","1.029","","","","has coordinates","213517","2020-10-21","18:00:00",""
"7122946","11.6732","0.0007","16.7833","0.0011","10.3207","0.0007","90","","115.021","0.002","90","","1832.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F2 N2 O3 -","- C19.88 H19.7 F2 N2 O3 -","- C79.52 H78.8 F8 N8 O12 -","4","1","","Xia, Peng-Ju; Ye, Zhi-Peng; Song, Dan; Ren, Ji-Wei; Wu, Han-Wen; Xiao, Jun-An; Xiang, Haoyue; Chen, Xiaoqing; Yang, Hua","Photocatalytic reductive radical-radical coupling of N, N'-cyclicazomethine imines with difluorobromo derivatives","Chemical Communications","2019","","","","","10.1039/C8CC09385G","","","0.71073","MoKα","","0.0871","0.0656","","","0.1733","0.1894","","","","","","1.055","","","","has coordinates,has disorder","213517","2020-10-21","18:00:00",""
"7122947","18.4169","0.0017","18.4169","0.0017","18.1996","0.0017","90","","90","","120","","5346","0.9","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 K N5 O6 Si6 U -","- C36 H90 K N5 O6 Si6 U -","- C108 H270 K3 N15 O18 Si18 U3 -","3","0.166667","","Ryan, Austin J.; Angadol, Mary A.; Ziller, Joseph W.; Evans, William J.","Isolation of U(ii) compounds using strong donor ligands, C5Me4H and N(SiMe3)2, including a three-coordinate U(ii) complex","Chemical Communications","2019","","","","","10.1039/C8CC08767A","","","0.71073","MoKα","","0.0266","0.0238","","","0.0583","0.059","","","","","","1.049","","","","has coordinates,has disorder","213518","2020-10-21","18:00:00",""
"7122948","30.199","0.005","13.568","0.002","30.609","0.007","90","","114.784","0.0017","90","","11387","4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H83 K N2 O7 U -","- C49 H83 K N2 O7 U -","- C392 H664 K8 N16 O56 U8 -","8","1","","Ryan, Austin J.; Angadol, Mary A.; Ziller, Joseph W.; Evans, William J.","Isolation of U(ii) compounds using strong donor ligands, C5Me4H and N(SiMe3)2, including a three-coordinate U(ii) complex","Chemical Communications","2019","","","","","10.1039/C8CC08767A","","","0.71073","MoKα","","0.0582","0.0362","","","0.0795","0.0864","","","","","","1.009","","","","has coordinates","213518","2020-10-21","18:00:00",""
"7122949","9.4563","0.0007","40.805","0.004","9.7208","0.0009","90","","90.09","0.002","90","","3750.9","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H38 N O3 S2 -","- C42 H38 N O3 S2 -","- C168 H152 N4 O12 S8 -","4","2","","Li, Can; Liu, Yan; Liu, Xianghui; Wang, Kai; Guo, Wengang","Organic-base Catalyzed Asymmetric 1,4-Addition of Tritylthiol to in Situ Generated Aza-o-Quinone Methides at H2O/DCM Interface","Chemical Communications","2019","","","","","10.1039/C8CC09382B","","","0.71073","MoKα","","0.0906","0.0803","","","0.2166","0.2316","","","","","","1.046","","","","has coordinates","213531","2020-10-21","18:00:00",""
"7122950","9.4773","0.0009","13.6425","0.0013","17.4442","0.0017","69.381","0.003","75.821","0.003","87.618","0.003","2044.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H38 Cl2 N2 -","- C53 H38 Cl2 N2 -","- C106 H76 Cl4 N4 -","2","1","","Wang, Huan; Li, Yiru; Zhang, Yiyao; Mei, Ju; Su, Jianhua","A new strategy for achieving single-molecular white-light emission: using vibration-induced emission (VIE) plus aggregation-induced emission (AIE) mechanisms as a two-pronged approach.","Chemical communications (Cambridge, England)","2019","55","13","1879","","10.1039/c8cc08513g","","","0.71073","MoKα","","0.0789","0.054","","","0.1313","0.1505","","","","","","1.017","","","","has coordinates","213532","2020-10-21","18:00:00",""
"7122951","15.881","0.007","17.389","0.007","13.796","0.006","90","","114.134","0.013","90","","3477","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N2 O5 -","- C36 H48 N2 O5 -","- C144 H192 N8 O20 -","4","1","","Ghosh, Pradyut; Nandi, Mandira; Bej, Somnath; Ghosh, Tamal Kanti","A multifunctional catenated host for efficient binding of Eu3+ and Gd3+","Chemical Communications","2019","","","","","10.1039/C9CC00090A","","","0.71073","MoKα","","0.1173","0.0642","","","0.1317","0.1463","","","","","","1.579","","","","has coordinates","213533","2020-10-21","18:00:00",""
"7122952","9.036","0.005","18.365","0.01","21.014","0.012","88.766","0.018","85.77","0.02","87.085","0.019","3473","3","107.35","","107.35","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 F6 N4 Na O12 P -","- C72 H60 F6 N4 Na O12 P -","- C144 H120 F12 N8 Na2 O24 P2 -","2","1","","Ghosh, Pradyut; Nandi, Mandira; Bej, Somnath; Ghosh, Tamal Kanti","A multifunctional catenated host for efficient binding of Eu3+ and Gd3+","Chemical Communications","2019","","","","","10.1039/C9CC00090A","","","0.71073","MoKα","","0.2255","0.1218","","","0.3045","0.3667","","","","","","1.024","","","","has coordinates,has disorder","213533","2020-10-21","18:00:00",""
"7122953","18.4754","0.0011","10.186","0.0006","10.7954","0.0006","90","","97.8576","0.0018","90","","2012.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-3-(1-hydroxyethylidene)-6-methyl-3,5,6,7-tetrahydrobenzofuran-2,4-dione","","- C11 H12 O4 -","- C11 H12 O4 -","- C88 H96 O32 -","8","2","","THOMBAL, RAJU; Kim, Seoung-Tae; Baik, Mu-Hyun; Lee, Yong Rok","Ruthenium catalyzes the synthesis of γ-butenolides fused to cyclohexanones","Chemical Communications","2019","","","","","10.1039/C9CC00101H","","","0.71073","MoKα","","0.1139","0.0614","","","0.1372","0.1616","","","","","","1.043","","","","has coordinates","213563","2020-10-21","18:00:00",""
"7122954","18.3354","0.0004","18.3354","0.0004","6.1492","0.0003","90","","90","","120","","1790.32","0.1","123","2","123","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Fe N O5 P -","- C9 H16 Fe N O5 P -","- C54 H96 Fe6 N6 O30 P6 -","6","1","","Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min","Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel","Chemical Communications","2019","","","","","10.1039/C9CC00506D","","","0.71073","MoKα","","0.0832","0.0635","","","0.1573","0.1699","","","","","","1.001","","","","has coordinates","213564","2020-10-21","18:00:00",""
"7122955","18.4179","0.0004","18.4179","0.0004","6.1607","0.0003","90","","90","","120","","1809.84","0.1","296","2","296","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Fe N O5 P -","- C9 H16 Fe N O5 P -","- C54 H96 Fe6 N6 O30 P6 -","6","1","","Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min","Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel","Chemical Communications","2019","","","","","10.1039/C9CC00506D","","","0.71073","MoKα","","0.0173","0.0168","","","0.0428","0.043","","","","","","1.001","","","","has coordinates","213564","2020-10-21","18:00:00",""
"7122956","6.625","0.0002","9.3524","0.0003","13.0235","0.0004","90","","102.524","0.002","90","","787.73","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 F3 N O5 -","- C11 H20 F3 N O5 -","- C22 H40 F6 N2 O10 -","2","1","","Zhang, Xingang; Lou, Yue-Guang; Wang, An-Jun; Zhao, Liang; He, Lin-Feng; Li, Xiaofei; He, Chun-Yang","Palladium-Catalyzed Cross-Coupling of Unactivated Alkylzinc Reagents with 2-Bromo-3,3,3-Trifluoropropene: A New Access to Diversified Fluorinated Amino Acids","Chemical Communications","2019","","","","","10.1039/C8CC10212K","","","1.54178","CuKα","","0.0539","0.0472","","","0.1239","0.1314","","","","","","1.065","","","","has coordinates","213586","2020-10-21","18:00:00",""
"7122957","30.4435","0.001","41.9494","0.0012","61.4182","0.0019","70.698","0.003","78.434","0.003","83.927","0.003","72458","4","240","","240","","","","","","","","","9","P -1","-P 1","2","","","","- C852 H1272 Co4 Cr42 F48 Fe8 N18 Ni6 O256 -","- C852 Co4 Cr42 F48 Fe8 N18 Ni6 O256 -","- C1704 Co8 Cr84 F96 Fe16 N36 Ni12 O512 -","2","1","","Ferrando-Soria, Jesus; Fernandez, Antonio; Vitorica-Yrzebal, Inigo; Asthana, Deepak; Muryn, Christopher; Tuna, Floriana; Timco, Grigore A.; Winpenny, Richard E. P.","Formation of an Interlocked Double-Chain from an Organic-Inorganic [2]Rotaxane","Chemical Communications","2019","","","","","10.1039/C8CC09339C","","x-ray","0.6889","","","0.3055","0.2248","","","0.5005","0.5684","","","","","","1.53","","","","has coordinates,has disorder","213594","2020-10-21","18:00:00",""
"7122958","28.7006","0.0004","30.9417","0.0006","33.8959","0.0006","90","","90","","90","","30101.1","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C129 H201 Cr7 F8 N O34 Zn -","- C129 H201 Cr7 F8 N O34 Zn -","- C1032 H1608 Cr56 F64 N8 O272 Zn8 -","8","1","","Ferrando-Soria, Jesus; Fernandez, Antonio; Vitorica-Yrzebal, Inigo; Asthana, Deepak; Muryn, Christopher; Tuna, Floriana; Timco, Grigore A.; Winpenny, Richard E. P.","Formation of an Interlocked Double-Chain from an Organic-Inorganic [2]Rotaxane","Chemical Communications","2019","","","","","10.1039/C8CC09339C","","x-ray","1.54184","CuKα","","0.1348","0.0991","","","0.2595","0.2856","","","","","","1.061","","","","has coordinates,has disorder","213594","2020-10-21","18:00:00",""
"7122959","17.896","0.0003","18.943","0.0003","18.963","0.0003","72.518","0.001","72.261","0.001","87.635","0.002","5831.13","0.17","100","0.1","100","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C20 H16 B4 Er3 N4 Na0.5 Nb3 O104.75 P2 W15 -","- C20 H16 B4 Er3 N4 Nb3 O105.25 P2 W15 -","- C40 H32 B8 Er6 N8 Nb6 O210.5 P4 W30 -","2","1","","Li, Shujun; Zhao, Yue; Qi, Huihui; Zhou, Yanfang; Liu, Shuxia; Ma, Xiaoming; Zhang, Jie; Chen, Xuenian","Boronic acid derivatized lanthanide‒polyoxometalates with novel B‒OH‒Ln and B‒O‒Nb bridges","Chemical Communications","2019","","","","","10.1039/C8CC09872G","","x-ray","1.54184","CuKα","","0.0453","0.0376","","","0.0954","0.0988","","","","","","1.079","","","","has coordinates,has disorder","213595","2020-10-21","18:00:00",""
"7122960","23.1824","0.0003","14.1907","0.0001","28.1627","0.0003","90","","104.58","0.001","90","","8966.46","0.17","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 B Eu2 N Nb3 O85.5 P2 W15 -","- C5 H4 B Eu2 N Nb3 O85.5 P2 W15 -","- C20 H16 B4 Eu8 N4 Nb12 O342 P8 W60 -","4","1","","Li, Shujun; Zhao, Yue; Qi, Huihui; Zhou, Yanfang; Liu, Shuxia; Ma, Xiaoming; Zhang, Jie; Chen, Xuenian","Boronic acid derivatized lanthanide‒polyoxometalates with novel B‒OH‒Ln and B‒O‒Nb bridges","Chemical Communications","2019","","","","","10.1039/C8CC09872G","","","1.54184","CuKα","","0.0994","0.0898","","","0.2595","0.2767","","","","","","1.119","","","","has coordinates","213595","2020-10-21","18:00:00",""
"7122961","23.095","0.0006","14.2098","0.0004","28.0704","0.0009","90","","104.388","0.003","90","","8923.1","0.5","291.29","0.1","291.29","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 B Er2 N Nb3 O94 P2 W15 -","- C5 H4 B Er2 N Nb3 O94 P2 W15 -","- C20 H16 B4 Er8 N4 Nb12 O376 P8 W60 -","4","1","","Li, Shujun; Zhao, Yue; Qi, Huihui; Zhou, Yanfang; Liu, Shuxia; Ma, Xiaoming; Zhang, Jie; Chen, Xuenian","Boronic acid derivatized lanthanide‒polyoxometalates with novel B‒OH‒Ln and B‒O‒Nb bridges","Chemical Communications","2019","","","","","10.1039/C8CC09872G","","x-ray","0.71","MoKα","","0.0574","0.04","","","0.0876","0.0963","","","","","","1.073","","","","has coordinates","213595","2020-10-21","18:00:00",""
"7122962","10.3569","0.0007","11.0026","0.0004","12.2025","0.0007","90","","114.816","0.004","90","","1262.11","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H46 N2 O2 P2 -","- C21 H46 N2 O2 P2 -","- C42 H92 N4 O4 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid","Chemical Communications","2019","","","","","10.1039/C9CC00621D","","x-ray","0.71073","MoKα","","0.0407","0.0338","","","0.0828","0.0889","","","","","","1.062","","","","has coordinates","213596","2020-10-21","18:00:00",""
"7122963","10.7173","0.0005","10.5593","0.0006","12.6782","0.0006","90","","113.193","0.003","90","","1318.8","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H46 N2 P2 S2 -","- C21 H46 N2 P2 S2 -","- C42 H92 N4 P4 S4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid","Chemical Communications","2019","","","","","10.1039/C9CC00621D","","x-ray","0.71073","MoKα","","0.0674","0.0443","","","0.0922","0.1018","","","","","","0.968","","","","has coordinates","213596","2020-10-21","18:00:00",""
"7122964","12.6968","0.0004","13.8758","0.0006","14.6351","0.0005","94.762","0.003","100.84","0.003","90.497","0.003","2522.86","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H42 N2 P2 S2 -","- C19 H42 N2 P2 S2 -","- C76 H168 N8 P8 S8 -","4","2","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid","Chemical Communications","2019","","","","","10.1039/C9CC00621D","","x-ray","0.71073","MoKα","","0.0679","0.0445","","","0.1139","0.123","","","","","","1.014","","","","has coordinates","213596","2020-10-21","18:00:00",""
"7122965","18.1821","0.001","17.6525","0.0007","17.7026","0.001","90","","97.794","0.004","90","","5629.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H52 N2 O2 P2 Pt -","- C23 H52 N2 O2 P2 Pt -","- C184 H416 N16 O16 P16 Pt8 -","8","2","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid","Chemical Communications","2019","","","","","10.1039/C9CC00621D","","x-ray","0.71073","MoKα","","0.0641","0.0516","","","0.1312","0.1383","","","","","","1.016","","","","has coordinates","213596","2020-10-21","18:00:00",""
"7122966","24.8625","0.0003","24.8625","0.0003","24.8625","0.0003","90","","90","","90","","15368.6","0.3","293","2","293","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H72 N12 O16 -","- C72 H72 N12 O16 -","- C576 H576 N96 O128 -","8","0.0833333","","Dong, Yu-Bin; Chen, Gongjun; Xin, Wen-Ling; Wang, Jing-Si; Cheng, Jun-Yan","Visible Light triggered selective reduction of nitroarenes to azo compounds catalysed by Ag@organic molecular cage","Chemical Communications","2019","","","","","10.1039/C8CC10078K","","","1.54178","CuKα","","0.199","0.18","","","0.4373","0.4528","","","","","","1.934","","","","has coordinates","213597","2020-10-21","18:00:00",""
"7122967","13.346","0.006","19.308","0.008","27.053","0.011","90","","101.469","0.005","90","","6832","5","159","2","159","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H61 B2 Cl3 N2 O4 -","- C91 H61 B2 Cl3 N2 O4 -","- C364 H244 B8 Cl12 N8 O16 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Boronate- and borinate-based π-systems for blue thermally activated delayed fluorescence materials","Chemical Communications","2019","","","","","10.1039/C8CC10282A","","","0.71075","MoKα","","0.0946","0.0664","","","0.1788","0.215","","","","","","1.056","","","","has coordinates,has disorder","213598","2020-10-21","18:00:00",""
"7122968","9.425","0.005","28.656","0.014","12.602","0.006","90","","102.554","0.006","90","","3322","3","159","2","159","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 B N S2 -","- C45 H30 B N S2 -","- C180 H120 B4 N4 S8 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Boronate- and borinate-based π-systems for blue thermally activated delayed fluorescence materials","Chemical Communications","2019","","","","","10.1039/C8CC10282A","","","0.71075","MoKα","","0.0861","0.059","","","0.1259","0.144","","","","","","1.077","","","","has coordinates","213598","2020-10-21","18:00:00",""
"7122969","19.767","0.013","24.55","0.016","9.996","0.006","90","","90","","90","","4851","5","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58 H58 B N O3 -","- C58 H58 B N O3 -","- C232 H232 B4 N4 O12 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Boronate- and borinate-based π-systems for blue thermally activated delayed fluorescence materials","Chemical Communications","2019","","","","","10.1039/C8CC10282A","","","0.71075","MoKα","","0.1017","0.0732","","","0.193","0.2221","","","","","","1.06","","","","has coordinates,has disorder","213598","2020-10-21","18:00:00",""
"7122970","9.1707","0.0014","11.2534","0.0018","19.035","0.003","90","","98.717","0.005","90","","1941.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Roy, Tony; Gaykar, Rahul Nivrutti; Bhattacharjee, Subrata; Biju, Akkattu T.","The aryne Sommelet-Hauser rearrangement","Chemical Communications","2019","","","","","10.1039/C9CC00629J","","","0.71073","MoKα","","0.0852","0.059","","","0.1847","0.1998","","","","","","1.36","","","","has coordinates","213607","2020-10-21","18:00:00",""
"7122971","19.6913","0.0014","11.7668","0.0009","22.1537","0.0018","90","","99.71","0.002","90","","5059.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H81 Cs N4 O -","- C54 H81 Cs N4 O -","- C216 H324 Cs4 N16 O4 -","4","1","","Williams, Neil J.; Roy, Santanu; Reynolds, Campbell O.; Custelcean, Radu; Bryantsev, Vyacheslav S.; Moyer, Bruce A.","Enhancing selectivity of cation exchange with anion receptors","Chemical Communications","2019","","","","","10.1039/C9CC00287A","","","0.71073","MoKα","","0.0887","0.0595","","","0.1485","0.1636","","","","","","1.002","","","","has coordinates","213626","2020-10-21","18:00:00",""
"7122972","25.2455","0.0018","17.5742","0.0012","12.4359","0.0009","90","","90","","90","","5517.4","0.7","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C58 H89 Cs N4 O -","- C58 H89 Cs N4 O -","- C232 H356 Cs4 N16 O4 -","4","0.5","","Williams, Neil J.; Roy, Santanu; Reynolds, Campbell O.; Custelcean, Radu; Bryantsev, Vyacheslav S.; Moyer, Bruce A.","Enhancing selectivity of cation exchange with anion receptors","Chemical Communications","2019","","","","","10.1039/C9CC00287A","","","0.71073","MoKα","","0.0669","0.0493","","","0.1215","0.1315","","","","","","1.015","","","","has coordinates","213626","2020-10-21","18:00:00",""
"7122973","10.9046","0.0003","30.6871","0.0008","11.9028","0.0003","90","","103.01","0.001","90","","3880.8","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H49 Cl4 Cs N4 O -","- C38 H49 Cl4 Cs N4 O -","- C152 H196 Cl16 Cs4 N16 O4 -","4","1","","Williams, Neil J.; Roy, Santanu; Reynolds, Campbell O.; Custelcean, Radu; Bryantsev, Vyacheslav S.; Moyer, Bruce A.","Enhancing selectivity of cation exchange with anion receptors","Chemical Communications","2019","","","","","10.1039/C9CC00287A","","","0.71073","MoKα","","0.0503","0.0407","","","0.0953","0.1022","","","","","","1.024","","","","has coordinates","213626","2020-10-21","18:00:00",""
"7122974","10.476","0.002","10.781","0.002","11.171","0.002","69.04","0.03","63.35","0.03","88.53","0.03","1039.2","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 B2 O4 -","- C20 H32 B2 O4 -","- C40 H64 B4 O8 -","2","1","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","0.71073","MoKα","","0.0861","0.0798","","","0.1679","0.1722","","","","","","1.009","","","","has coordinates","213627","2020-10-21","18:00:00",""
"7122975","9.1118","0.0018","10.93","0.002","12.902","0.003","101.36","0.03","97.45","0.03","96.46","0.03","1236.5","0.5","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H38 Br2 -","- C24 H24 Br2 -","- C48 H48 Br4 -","2","1","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","0.71073","MoKα","","0.1343","0.0948","","","0.198","0.2188","","","","","","1.035","","","","has coordinates","213627","2020-10-21","18:00:00",""
"7122976","7.3128","0.0003","15.1938","0.0006","16.354","0.0007","109.425","0.004","91.69","0.003","97.061","0.003","1695.84","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 B2 O4 -","- C36 H48 B2 O4 -","- C72 H96 B4 O8 -","2","1","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","1.54184","CuKα","","0.1186","0.0934","","","0.3174","0.3268","","","","","","1.028","","","","has coordinates,has disorder","213627","2020-10-21","18:00:00",""
"7122977","16.531","0.003","32.295","0.007","7.0758","0.0014","90","","90","","90","","3777.5","1.3","100.01","0.1","100.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C41 H42 Br2 Cl2 -","- C41 H42 Br2 Cl2 -","- C164 H168 Br8 Cl8 -","4","0.5","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","1.54184","CuKα","","0.1338","0.0995","","","0.2649","0.2957","","","","","","1.061","","","","has coordinates","213627","2020-10-21","18:00:00",""
"7122978","13.224","0.003","14.975","0.003","18.393","0.004","68.87","0.03","72.8","0.03","64.85","0.03","3031.3","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H85 O10.5 -","- C64 H64 -","- C128 H128 -","2","1","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","0.71073","MoKα","","0.1108","0.0798","","","0.174","0.189","","","","","","1.002","","","","has coordinates","213627","2020-10-21","18:00:00",""
"7122979","15.5945","0.0005","32.743","0.0011","11.5345","0.0004","90","","100.066","0.003","90","","5799","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 O2 -","- C72 H80 O2 -","- C288 H320 O8 -","4","1","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","1.54184","CuKα","","0.1107","0.096","","","0.2126","0.2223","","","","","","1.02","","","","has coordinates,has disorder","213627","2020-10-21","18:00:00",""
"7122980","23.643","0.005","23.643","0.005","12.25","0.002","90","0.03","90","0.03","90","0.03","6848","2","100","2","100","2","","","","","","","","3","P 4/n n c","-P 4a 2bc","126","","","","- C148 H78 Cl28 -","- C134 H64 -","- C268 H128 -","2","","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","0.71073","MoKα","","0.1851","0.1343","","","0.2753","0.2881","","","","","","1.146","","","","has coordinates,has disorder","213627","2020-10-21","18:00:00",""
"7122981","44.4974","0.0006","16.3918","0.0002","22.3586","0.0002","90","","90","","90","","16308.2","0.3","100","0.13","100","0.13","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C126 H66 Cl4 -","- C124 H64 -","- C992 H512 -","8","2","","Yang, Yu-Dong; Gong, Han-Yuan","Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation","Chemical Communications","2019","","","","","10.1039/C8CC09911A","","","1.54184","CuKα","","0.1572","0.1493","","","0.3413","0.3472","","","","","","1.022","","","","has coordinates,has disorder","213627","2020-10-21","18:00:00",""
"7122982","6.816","0.003","12.787","0.006","14.108","0.006","64.897","0.007","85.931","0.009","82.683","0.007","1104.2","0.9","296","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C58 H52 N4 O4 -","2","1","","Li, Deng Yuan; Wang, An; Zhu, Xiao-Ping; Feng, Wei; Liu, Pei Nian","Direct access to substituted benzo[b]carbazoles through cascade annulation of 2-vinylbenzaldehydes with indoles","Chemical Communications","2019","","","","","10.1039/C8CC10253H","","","0.71073","MoKα","","0.1392","0.0614","","","0.1469","0.1865","","","","","","0.927","","","","has coordinates","213643","2020-10-21","18:00:00",""
"7122983","12.029","0.003","18.831","0.005","17.33","0.005","90","","105.496","0.004","90","","3782.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H66 Mg2 N6 Si4 -","- C24 H66 Mg2 N6 Si4 -","- C96 H264 Mg8 N24 Si16 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","0.71073","MoKα","","0.0717","0.0474","","","0.1142","0.1248","","","","","","1.032","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7122984","11.87","0.002","15.682","0.003","11.922","0.002","90","","90","0.03","90","","2219.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H68 B2 Mg N4 -","- C44 H68 B2 Mg N4 -","- C88 H136 B4 Mg2 N8 -","2","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","1.54178","CuKα","","0.0698","0.0637","","","0.1654","0.1732","","","","","","1.031","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7122985","13.4152","0.001","16.717","0.0012","20.243","0.0016","90","","90","","90","","4539.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H71 B Mg N4 O -","- C51 H71 B Mg N4 O -","- C204 H284 B4 Mg4 N16 O4 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","0.71073","MoKα","","0.0597","0.0521","","","0.1285","0.1341","","","","","","1.063","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7122986","36.3501","0.0005","12.34279","0.00012","20.1258","0.0002","90","","90","","90","","9029.67","0.18","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C96 H146 B2 Mg2 N8 O2 -","- C96 H146 B2 Mg2 N8 O2 -","- C384 H584 B8 Mg8 N32 O8 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","1.54178","CuKα","","0.0701","0.0597","","","0.1572","0.1621","","","","","","1.025","","","","has coordinates,has disorder","213644","2020-10-21","18:00:00",""
"7122987","12.0615","0.0004","13.3505","0.0005","21.4909","0.0009","83.123","0.003","77.706","0.003","85.097","0.003","3350.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H114 B2 Mg N4 O5 -","- C68 H114 B2 Mg N4 O5 -","- C136 H228 B4 Mg2 N8 O10 -","2","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","1.54178","CuKα","","0.1195","0.0891","","","0.26","0.2843","","","","","","1.105","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7122988","16.1902","0.0003","17.9242","0.0003","18.0628","0.0004","90","","97.5641","0.0016","90","","5196.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H168 B2 Mg O12 -","- C112 H168 B2 Mg O12 -","- C224 H336 B4 Mg2 O24 -","2","0.5","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","1.54178","CuKα","","0.0615","0.053","","","0.1458","0.1508","","","","","","1.067","","","","has coordinates,has disorder","213644","2020-10-21","18:00:00",""
"7122989","19.1374","0.0013","11.8659","0.0008","21.682","0.0015","90","","90","","90","","4923.6","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H76 B Mg N5 -","- C55 H76 B Mg N5 -","- C220 H304 B4 Mg4 N20 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","0.71073","MoKα","","0.0674","0.0488","","","0.1086","0.1184","","","","","","1.032","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7122990","10.081","0.002","19.984","0.003","16.631","0.003","90","","99.198","0.004","90","","3307.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Al N3 P -","- C33 H47 Al N3 P -","- C132 H188 Al4 N12 P4 -","4","1","","Fernández-Galán, Rafael; Ramos, Alberto; Huergo, Estefanía; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Unusual ligand rearrangement: from N-phosphinoguanidinato to phosphinimine-amidinato compounds","Chemical Communications","2019","","","","","10.1039/C9CC00432G","","","0.71069","MoKα","","0.0932","0.0507","","","0.1093","0.1241","","","","","","0.996","","","","has coordinates","213645","2020-10-21","18:00:00",""
"7122991","12.073","0.002","15.298","0.003","15.849","0.003","90","","99.731","0.004","90","","2885.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Al N3 P -","- C30 H41 Al N3 P -","- C120 H164 Al4 N12 P4 -","4","1","","Fernández-Galán, Rafael; Ramos, Alberto; Huergo, Estefanía; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Unusual ligand rearrangement: from N-phosphinoguanidinato to phosphinimine-amidinato compounds","Chemical Communications","2019","","","","","10.1039/C9CC00432G","","","0.71069","MoKα","","0.0826","0.0527","","","0.1219","0.1426","","","","","","1.089","","","","has coordinates","213645","2020-10-21","18:00:00",""
"7122992","17.093","0.003","15.955","0.002","10.358","0.002","90","","90","","90","","2824.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N3 P -","- C31 H42 N3 P -","- C124 H168 N12 P4 -","4","1","","Fernández-Galán, Rafael; Ramos, Alberto; Huergo, Estefanía; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Unusual ligand rearrangement: from N-phosphinoguanidinato to phosphinimine-amidinato compounds","Chemical Communications","2019","","","","","10.1039/C9CC00432G","","","0.71069","MoKα","","0.0515","0.0388","","","0.0764","0.0805","","","","","","1.063","","","","has coordinates","213645","2020-10-21","18:00:00",""
"7122993","15.379","0.003","12.334","0.002","17.878","0.003","90","","108.758","0.005","90","","3211.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 N3 P Zn -","- C33 H46 N3 P Zn -","- C132 H184 N12 P4 Zn4 -","4","1","","Fernández-Galán, Rafael; Ramos, Alberto; Huergo, Estefanía; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Unusual ligand rearrangement: from N-phosphinoguanidinato to phosphinimine-amidinato compounds","Chemical Communications","2019","","","","","10.1039/C9CC00432G","","","0.71069","MoKα","","0.0592","0.0466","","","0.126","0.1364","","","","","","1.533","","","","has coordinates","213645","2020-10-21","18:00:00",""
"7122994","11.2333","0.0007","11.5158","0.0006","11.367","0.0005","90","","98.32","0.004","90","","1454.96","0.14","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al2 H12 O12 P6 -","- Al2 H12 O12 P6 -","- Al8 H48 O48 P24 -","4","1","","Evans, Hayden; Deng, Zeyu; Collings, Ines; Wu, Yue; Andrews, Jessica L.; Pilar, Kartik; Tuffnell, Joshua Mark; Wu, Guang; Wang, John; Dutton, S. E. E.; Bristowe, Paul; Seshadri, Ram; Cheetham, Anthony K.","Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.","Chemical Communications","2019","","","","","10.1039/C9CC00118B","","","0.71073","MoKα","","0.1232","0.0554","","","0.1017","0.1255","","","","","","1.002","","","","has coordinates","213665","2020-10-21","18:00:00",""
"7122995","11.2934","0.0018","11.6143","0.0019","11.4827","0.0019","90","","98.547","0.004","90","","1489.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ga2 H12 O12 P6 -","- Ga2 H12 O12 P6 -","- Ga8 H48 O48 P24 -","4","1","","Evans, Hayden; Deng, Zeyu; Collings, Ines; Wu, Yue; Andrews, Jessica L.; Pilar, Kartik; Tuffnell, Joshua Mark; Wu, Guang; Wang, John; Dutton, S. E. E.; Bristowe, Paul; Seshadri, Ram; Cheetham, Anthony K.","Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.","Chemical Communications","2019","","","","","10.1039/C9CC00118B","","","0.71073","MoKα","","0.0961","0.0464","","","0.0525","0.0597","","","","","","1.158","","","","has coordinates","213666","2020-10-21","18:00:00",""
"7122996","11.953","0.013","7.809","0.008","7.868","0.009","90","","109.77","0.02","90","","691.1","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al H6 O6 P3 -","- Al H6 O6 P3 -","- Al4 H24 O24 P12 -","4","0.5","","Evans, Hayden; Deng, Zeyu; Collings, Ines; Wu, Yue; Andrews, Jessica L.; Pilar, Kartik; Tuffnell, Joshua Mark; Wu, Guang; Wang, John; Dutton, S. E. E.; Bristowe, Paul; Seshadri, Ram; Cheetham, Anthony K.","Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.","Chemical Communications","2019","","","","","10.1039/C9CC00118B","","","0.71073","MoKα","","0.0934","0.0462","","","0.0784","0.0923","","","","","","0.973","","","","has coordinates","213667","2020-10-21","18:00:00",""
"7122997","11.3584","0.0006","11.1052","0.0001","11.3265","0.0019","90","","107.683","0.012","90","","1361.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ga2 H12 O12 P6 -","- Ga2 H12 O12 P6 -","- Ga8 H48 O48 P24 -","4","1","","Evans, Hayden; Deng, Zeyu; Collings, Ines; Wu, Yue; Andrews, Jessica L.; Pilar, Kartik; Tuffnell, Joshua Mark; Wu, Guang; Wang, John; Dutton, S. E. E.; Bristowe, Paul; Seshadri, Ram; Cheetham, Anthony K.","Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.","Chemical Communications","2019","","","","","10.1039/C9CC00118B","","","0.41112","synchrotron","","0.0315","0.0274","","","0.0697","0.0761","","","","","","1.107","","","","has coordinates","213668","2020-10-21","18:00:00",""
"7122998","11.922","0.008","7.542","0.006","8.86","0.006","90","","106.29","0.02","90","","764.7","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H6 O6 P3 V -","- H6 O6 P3 V -","- H24 O24 P12 V4 -","4","1","","Evans, Hayden; Deng, Zeyu; Collings, Ines; Wu, Yue; Andrews, Jessica L.; Pilar, Kartik; Tuffnell, Joshua Mark; Wu, Guang; Wang, John; Dutton, S. E. E.; Bristowe, Paul; Seshadri, Ram; Cheetham, Anthony K.","Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.","Chemical Communications","2019","","","","","10.1039/C9CC00118B","","","0.71073","MoKα","","0.233","0.1509","","","0.3856","0.4204","","","","","","1.095","","","","has coordinates","213669","2020-10-21","18:00:00",""
"7122999","8.4326","0.0007","11.5349","0.0009","18.9409","0.0015","90","","91.007","0.001","90","","1842.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Br O2 S -","- C23 H15 Br O2 S -","- C92 H60 Br4 O8 S4 -","4","1","","Jiang, Bo; Qin, Xiao-Yan; He, Long; Li, Jing; Hao, Wen-Juan; Tu, Shu-Jiang","Regioselective synthesis of polycyclic sulfones via radical-induced three-component bicyclization cascades","Chemical Communications","2019","","","","","10.1039/C9CC00324J","","","0.71073","MoKα","","0.0542","0.0324","","","0.0769","0.0834","","","","","","1.019","","","","has coordinates","213670","2020-10-21","18:00:00",""
"7123000","11.2605","0.0007","28.0222","0.0014","11.3063","0.0005","90","","102.04","0.005","90","","3489.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 O4 S4 -","- C38 H36 O4 S4 -","- C152 H144 O16 S16 -","4","1","","Rahaman, Sk. Atiur; Mondal, Dipon Kumar; Bandyopadhyay, Subhajit","Formation of disulphide linkages restricts intramolecular motions of fluorophore: Detection of molecular oxygen in food package","Chemical Communications","2019","","","","","10.1039/C8CC10035G","","x-ray","0.71073","MoKα","","0.1206","0.1077","","","0.2961","0.3094","","","","","","1.055","","","","has coordinates","213672","2020-10-21","18:00:00",""
"7123001","18.2786","0.0004","18.2786","0.0004","13.4615","0.0004","90","","90","","90","","4497.58","0.19","295.4","0.8","295.4","0.8","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H23 F N2 O5 -","- C25 H23 F N2 O5 -","- C200 H184 F8 N16 O40 -","8","1","","Xiao, Ben-Xian; Jiang, Bo; Song, Xue; Du, Wei; Chen, Ying-Chun","Phosphine-Catalysed Asymmetric Dearomative Formal [4 + 2] Cycloadditions of 3-Benzofuranyl Vinyl Ketones","Chemical Communications","2019","","","","","10.1039/C9CC00386J","","x-ray","1.54184","CuKα","","0.0562","0.0515","","","0.1396","0.1457","","","","","","1.05","","","","has coordinates","213673","2020-10-21","18:00:00",""
"7123002","12.978","0.002","6.7317","0.0011","16.309","0.003","90","","95.116","0.005","90","","1419.1","0.4","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H22 B N2 O2 S -","- C39 H22 B N2 O2 S -","- C78 H44 B2 N4 O4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Takaishi, Kazuto; Ema, Tadashi","Synthesis of chiral carbazole-based BODIPYs showing circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC00894B","","","1.54187","CuKα","","0.0401","0.0362","","","0.0932","0.0949","","","","","","1.011","","","","has coordinates","213674","2020-10-21","18:00:00",""
"7123003","9.496","0.002","10.526","0.002","11.5355","0.0016","79.482","0.019","77.43","0.03","89.68","0.02","1105.8","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 B F2 N2 O -","- C27 H27 B F2 N2 O -","- C54 H54 B2 F4 N4 O2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Takaishi, Kazuto; Ema, Tadashi","Synthesis of chiral carbazole-based BODIPYs showing circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC00894B","","","1.54187","CuKα","","0.0382","0.0349","","","0.0965","0.0986","","","","","","1.062","","","","has coordinates","213674","2020-10-21","18:00:00",""
"7123004","13","0.003","6.5948","0.0015","16.243","0.004","90","","93.955","0.006","90","","1389.2","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H23 B N2 O3 -","- C39 H23 B N2 O3 -","- C78 H46 B2 N4 O6 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Takaishi, Kazuto; Ema, Tadashi","Synthesis of chiral carbazole-based BODIPYs showing circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC00894B","","","1.54187","CuKα","","0.0566","0.0542","","","0.1382","0.1407","","","","","","1.063","","","","has coordinates","213674","2020-10-21","18:00:00",""
"7123005","8.9228","0.0005","11.3001","0.0006","12.7722","0.0008","90.744","0.002","103.423","0.002","93.886","0.002","1249.2","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 F6 N2 O6 -","- C26 H15 F6 N2 O6 -","- C52 H30 F12 N4 O12 -","2","1","","Chen, Shujie; Zhang, Jinhui; Yang, Mingfeng; Liu, Fenggang; Xie, Zhipeng; Liu, Yun-Lin; Lin, Wenxia; Wang, Daru; Li, Xiangrui; Wang, Jiahai","Diastereoselective synthesis of cyclopropanes bearing trifluoromethyl-substituted all-carbon quaternary centers from 2-trifluoromethyl-1,3-enynes beyond fluorine elimination","Chemical Communications","2019","","","","","10.1039/C9CC00785G","","","1.54178","CuKα","","0.0888","0.083","","","0.2339","0.2459","","","","","","1.038","","","","has coordinates","213687","2020-10-21","18:00:00",""
"7123006","7.402","0.011","11.908","0.016","17.31","0.02","90","","94.68","0.02","90","","1521","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl F3 O2 -","- C17 H12 Cl F3 O2 -","- C68 H48 Cl4 F12 O8 -","4","1","","Zhou, Fan; Cheng, Ying; Liu, Xiao-Peng; Chen, Jia-Rong; Xiao, Wen-Jing","A visible light photoredox catalyzed carbon radical-mediated generation of ortho-quinone methides for 2,3-dihydrobenzofuran synthesis","Chemical Communications","2019","","","","","10.1039/C9CC00727J","","","0.71073","MoKα","","0.0631","0.0483","","","0.1408","0.1572","","","","","","1.033","","","","has coordinates","213688","2020-10-21","18:00:00",""
"7123007","14.4739","0.0008","13.8064","0.0007","20.751","0.0011","90","","90","","90","","4146.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Ag2 Fe N8 -","- C20 H12 Ag2 Fe N8 -","- C160 H96 Ag16 Fe8 N64 -","8","1","","Hiiuk, Volodymyr M.; Sova, Sergiu; Rotaru, Aurelian; Ksenofontov, Vadim; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Room Temperature Hysteretic Spin Crossover in a New Cyanoheterometallic Framework","Chemical Communications","2019","","","","","10.1039/C8CC10260K","","x-ray","0.71073","MoKα","","0.0833","0.0661","","","0.1067","0.1129","","","","","","1.21","","","","has coordinates","213706","2020-10-21","18:00:00",""
"7123008","15.1721","0.0015","14.0669","0.0012","21.086","0.002","90","","90","","90","","4500.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Ag2 Fe N8 -","- C20 H12 Ag2 Fe N8 -","- C160 H96 Ag16 Fe8 N64 -","8","1","","Hiiuk, Volodymyr M.; Sova, Sergiu; Rotaru, Aurelian; Ksenofontov, Vadim; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Room Temperature Hysteretic Spin Crossover in a New Cyanoheterometallic Framework","Chemical Communications","2019","","","","","10.1039/C8CC10260K","","x-ray","0.71073","MoKα","","0.1177","0.0894","","","0.1726","0.1889","","","","","","1.189","","","","has coordinates","213706","2020-10-21","18:00:00",""
"7123009","21.6141","0.0019","5.8209","0.0006","14.151","0.0013","90","","90","","90","","1780.4","0.3","293","2","293","2","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C20 H18 N6 -","- C20 H18 N6 -","- C80 H72 N24 -","4","1","","Saha, Monochura; Bandyopadhyay, Subhajit","A reversible photoresponsive activity of a carbonic anhydrase mimic","Chemical Communications","2019","","","","","10.1039/C9CC00018F","","x-ray","0.71073","MoKα","","0.0716","0.0517","","","0.1256","0.1495","","","","","","0.825","","","","has coordinates","213707","2020-10-21","18:00:00",""
"7123010","12.7525","0.001","14.9942","0.0012","14.8095","0.0011","90","","112.243","0.0011","90","","2621.1","0.4","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 N8 Ti2 -","- C60 H78 N8 Ti2 -","- C120 H156 N16 Ti4 -","2","0.5","","Okuda, Jun; Spaniol, Thomas Paul; Kögerler, Paul; Ghana, Priyabrata; van Kruechten, Franziska D.; van Leusen, Jan","Conversion of dinitrogen to tris(trimethylsilyl)amine catalyzed by titanium triamido-amine complexes","Chemical Communications","2019","","","","","10.1039/C8CC09742A","","x-ray","0.71073","MoKα","","0.0439","0.0368","","","0.0923","0.0973","","","","","","1.021","","","","has coordinates","213708","2020-10-21","18:00:00",""
"7123011","11.9665","0.0004","13.959","0.0005","19.5766","0.0006","90","","92.472","0.003","90","","3267.04","0.19","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H94 K2 N10 O2 Ti2 -","- C68 H94 K2 N10 O2 Ti2 -","- C136 H188 K4 N20 O4 Ti4 -","2","1","","Okuda, Jun; Spaniol, Thomas Paul; Kögerler, Paul; Ghana, Priyabrata; van Kruechten, Franziska D.; van Leusen, Jan","Conversion of dinitrogen to tris(trimethylsilyl)amine catalyzed by titanium triamido-amine complexes","Chemical Communications","2019","","","","","10.1039/C8CC09742A","","x-ray","0.71073","MoKα","","0.0881","0.0544","","","0.1181","0.1315","","","","","","0.96","","","","has coordinates","213708","2020-10-21","18:00:00",""
"7123012","5.2356","0.0002","5.3536","0.0002","7.633","0.0003","90","","89.9627","0.0019","90","","213.948","0.014","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co Mn2 O6 Re -","- Co Mn2 O6 Re -","- Co2 Mn4 O12 Re2 -","2","0.5","","Frank , Corey E.; McCabe, Emma; Orlandi, Fabio; Manuel, Pascal; Tan, Xiaoyan; Deng, Zheng; Croft, Mark; Cascos, Vanessa Amelia; Emge, Thomas J.; Feng, Hai; Lapidus, Saul H.; Jin, Changqing; Wu, Meixia; Li, Man-Rong; Ehrlich, Steven N.; Khalid, Syed; Quackenbush, Nicholas F.; Yu, Shuang; Walker, David; Greenblatt, Martha","Mn2CoReO6: A Robust Multisublattice Antiferromagnetic Perovskite with Small A-Site Cations","Chemical Communications","2019","","","","","10.1039/C9CC00038K","","","0.71073","MoKα","","0.0364","0.0248","","","0.0474","0.0512","","","","","","0.705","","","","has coordinates,has disorder","213709","2020-10-21","18:00:00",""
"7123013","17.1191","0.0011","29.2535","0.0018","19.9019","0.0013","90","","91.676","0.004","90","","9962.5","1.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C145 H227.5 N12.5 O91 -","- C145 H170 N12.5 O91 -","- C290 H340 N25 O182 -","2","1","","Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya","Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds","Chemical Communications","2019","","","","","10.1039/C9CC00517J","","","0.71073","MoKα","","0.1192","0.1111","","","0.2853","0.2905","","","","","","2.323","","","","has coordinates","213710","2020-10-21","18:00:00",""
"7123014","14.988","0.002","26.707","0.004","27.946","0.004","90","","90","","90","","11186","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C105 H143 N7 O40 -","- C105 H133 N7 O40 -","- C420 H532 N28 O160 -","4","1","","Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya","Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds","Chemical Communications","2019","","","","","10.1039/C9CC00517J","","","0.71073","MoKα","","0.0961","0.0619","","","0.156","0.1745","","","","","","1.144","","","","has coordinates","213710","2020-10-21","18:00:00",""
"7123015","15.096","0.004","26.233","0.007","17.403","0.005","90","","108.05","0.003","90","","6553","3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H181 N8 O38 P -","- C133 H181 N8 O38 P -","- C266 H362 N16 O76 P2 -","2","1","","Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya","Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds","Chemical Communications","2019","","","","","10.1039/C9CC00517J","","","0.71073","MoKα","","0.1016","0.0613","","","0.153","0.1772","","","","","","1.136","","","","has coordinates,has disorder","213710","2020-10-21","18:00:00",""
"7123016","13.6252","0.0016","10.5144","0.0012","12.6246","0.0013","90","","96.075","0.002","90","","1798.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 F N4 O2 -","- C18 H23 F N4 O2 -","- C72 H92 F4 N16 O8 -","4","1","","Attram, Henrietta D.; Wittlin, Sergio; Chibale, Kelly","Incorporation of an intramolecular hydrogen bonding motif in the side chain of antimalarial benzimidazoles.","MedChemComm","2019","10","3","450","455","10.1039/c8md00608c","","","0.71073","MoKα","","0.0673","0.0432","","","0.1001","0.1137","","","","","","1.017","","","","has coordinates","224648","2020-10-21","18:00:00",""
"7123017","6.0523","0.0001","15.6534","0.0004","18.96","0.0004","90","","97.07","0.002","90","","1782.6","0.07","154.9","0.7","154.9","0.7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1c","","","- C15 H31 B N2 O2 -","- C15 H31 B N2 O2 -","- C60 H124 B4 N8 O8 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; García-Vivó, Daniel","9-Borabicyclo[3.3.1]nonane: a metal-free catalyst for the hydroboration of carbodiimides","Chemical Communications","2019","","","","","10.1039/C9CC00593E","","x-ray","1.54184","CuKα","","0.06","0.0517","","","0.1442","0.1544","","","","","","1.047","","","","has coordinates","213730","2020-10-21","18:00:00",""
"7123018","15.1308","0.0017","10.9346","0.0011","19.7707","0.0018","90","","111.704","0.011","90","","3039.2","0.6","136","20","136","20","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4","","","- C33 H49 B N2 -","- C33 H49 B N2 -","- C132 H196 B4 N8 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; García-Vivó, Daniel","9-Borabicyclo[3.3.1]nonane: a metal-free catalyst for the hydroboration of carbodiimides","Chemical Communications","2019","","","","","10.1039/C9CC00593E","","x-ray","1.54184","CuKα","","0.0823","0.0708","","","0.1998","0.2201","","","","","","1.096","","","","has coordinates","213730","2020-10-21","18:00:00",""
"7123019","4.0143","0.0002","13.5219","0.0009","17.3448","0.0011","102.786","0.003","93.568","0.003","94.296","0.003","912.56","0.1","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C36 H24 Br8 N4 -","2","1","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.0601","0.0304","","","0.0553","0.0623","","","","","","1.033","","","","has coordinates,has disorder","213767","2020-10-21","18:00:00",""
"7123020","3.9561","0.0017","9.702","0.004","12.444","0.005","75.878","0.007","84.947","0.005","78.556","0.005","453.6","0.3","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","1","0.5","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.049","0.0346","","","0.0861","0.0922","","","","","","1.051","","","","has coordinates","213767","2020-10-21","18:00:00",""
"7123021","3.9924","0.0002","13.5015","0.0006","17.3091","0.0008","102.795","0.002","93.323","0.002","94.316","0.002","904.59","0.07","249","2","249","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C36 H24 Br8 N4 -","2","1","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.0489","0.0275","","","0.0523","0.0581","","","","","","1.041","","","","has coordinates,has disorder","213767","2020-10-21","18:00:00",""
"7123022","3.9431","0.0006","13.45","0.0019","17.231","0.002","102.747","0.002","92.46","0.002","94.329","0.002","887.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C36 H24 Br8 N4 -","2","1","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.0539","0.036","","","0.0796","0.0869","","","","","","1.032","","","","has coordinates,has disorder","213767","2020-10-21","18:00:00",""
"7123023","4.0022","0.0002","13.5102","0.0006","17.3261","0.0008","102.783","0.002","93.452","0.002","94.301","0.002","908.19","0.07","269","2","269","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C36 H24 Br8 N4 -","2","1","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.0528","0.0276","","","0.0531","0.0595","","","","","","1.028","","","","has coordinates,has disorder","213767","2020-10-21","18:00:00",""
"7123024","3.9826","0.0002","13.4966","0.0007","17.2973","0.0008","102.81","0.002","93.204","0.002","94.321","0.002","901.52","0.08","229","2","229","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C36 H24 Br8 N4 -","2","1","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.0623","0.0411","","","0.0943","0.0994","","","","","","0.934","","","","has coordinates,has disorder","213767","2020-10-21","18:00:00",""
"7123025","3.924","0.0008","9.667","0.002","12.375","0.003","75.801","0.01","84.98","0.011","78.541","0.011","445.64","0.17","189","2","189","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","- C18 H12 Br4 N2 -","1","0.5","","Crawford, Adam W.; Groeneman , Ryan; Unruh, Daniel K.; Hutchins, Kristin M.","Cooling-rate dependent single-crystal-to-single-crystal phase transition in an organic co-crystal","Chemical Communications","2019","","","","","10.1039/C9CC00836E","","","0.71073","MoKα","","0.0535","0.0451","","","0.1148","0.1181","","","","","","1.001","","","","has coordinates","213767","2020-10-21","18:00:00",""
"7123026","10.6442","0.0003","12.8517","0.0005","16.5152","0.0006","109.315","0.0012","97.3868","0.0011","92.0689","0.0012","2106.89","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H40 S5 -","- C55 H40 S5 -","- C110 H80 S10 -","2","1","","Barát, Viktor; Budanović, Maja; Halilovic, Dzeneta; Huh, June; Webster, Richard D.; Mahadevegowda, Surendra H.; Stuparu, Mihaiela C.","A general approach to non-fullerene electron acceptors based on the corannulene motif","Chemical Communications","2019","","","","","10.1039/C9CC00327D","","","0.71073","MoKα","","0.1143","0.0587","","","0.1073","0.1324","","","","","","1.029","","","","has coordinates","213768","2020-10-21","18:00:00",""
"7123027","7.9036","0.0004","28.0514","0.0015","13.3901","0.0007","90","","103.727","0.002","90","","2883.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H16 Cl2 O8 S4 -","- C33 H16 Cl2 O8 S4 -","- C132 H64 Cl8 O32 S16 -","4","1","","Barát, Viktor; Budanović, Maja; Halilovic, Dzeneta; Huh, June; Webster, Richard D.; Mahadevegowda, Surendra H.; Stuparu, Mihaiela C.","A general approach to non-fullerene electron acceptors based on the corannulene motif","Chemical Communications","2019","","","","","10.1039/C9CC00327D","","","0.71073","MoKα","","0.1314","0.0873","","","0.2096","0.2368","","","","","","1.067","","","","has coordinates","213768","2020-10-21","18:00:00",""
"7123028","13.827","0.0004","14.0069","0.0003","15.7081","0.0004","98.1609","0.0008","105.782","0.0009","103.314","0.0008","2780.05","0.12","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H42.5 Cl6 O10.25 S5 -","- C57 H42.5 Cl6 O10.25 S5 -","- C114 H85 Cl12 O20.5 S10 -","2","1","","Barát, Viktor; Budanović, Maja; Halilovic, Dzeneta; Huh, June; Webster, Richard D.; Mahadevegowda, Surendra H.; Stuparu, Mihaiela C.","A general approach to non-fullerene electron acceptors based on the corannulene motif","Chemical Communications","2019","","","","","10.1039/C9CC00327D","","","0.71073","MoKα","","0.0943","0.0581","","","0.1344","0.1578","","","","","","1.031","","","","has coordinates,has disorder","213768","2020-10-21","18:00:00",""
"7123029","8.831","0.003","10.884","0.002","15.634","0.003","71.461","0.005","76.041","0.012","71.517","0.012","1334.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H39 B11 N4 O S -","- C18 H39 B11 N4 O S -","- C36 H78 B22 N8 O2 S2 -","2","1","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.1401","0.0813","","","0.1882","0.2108","","","","","","1.086","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123030","8.2222","0.0007","16.0093","0.0012","6.8094","0.0005","90","","98.739","0.005","90","","885.93","0.12","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H22 B10 N2 S -","- C10 H22 B10 N2 S -","- C20 H44 B20 N4 S2 -","2","0.25","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.0655","0.0552","","","0.1421","0.1494","","","","","","0.986","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123031","8.4015","0.0005","11.3344","0.0007","15.3636","0.0009","72.113","0.002","78.085","0.002","68.708","0.002","1289.81","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H37 B11 N4 O S -","- C17 H37 B11 N4 O S -","- C34 H74 B22 N8 O2 S2 -","2","1","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.0596","0.0468","","","0.1181","0.1248","","","","","","1.07","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123032","8.7985","0.0005","12.6301","0.0006","14.4822","0.0007","90","","101.517","0.002","90","","1576.94","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B10 N2 S -","- C7 H22 B10 N2 S -","- C28 H88 B40 N8 S4 -","4","1","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.0664","0.054","","","0.1405","0.1484","","","","","","1.068","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123033","8.8688","0.0003","10.1323","0.0004","15.8068","0.0006","72.875","0.001","77.939","0.001","76.318","0.001","1304","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H33 B11 Cl2 N4 S -","- C15 H33 B11 Cl2 N4 S -","- C30 H66 B22 Cl4 N8 S2 -","2","1","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.0545","0.0508","","","0.1429","0.1456","","","","","","1.147","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123034","18.868","0.002","8.9391","0.0009","19.9161","0.0019","90","","93.607","0.004","90","","3352.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 B11 N2 S -","- C10 H19 B11 N2 S -","- C80 H152 B88 N16 S8 -","8","1","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.0983","0.0852","","","0.2162","0.2242","","","","","","1.064","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123035","22.2424","0.0005","22.2424","0.0005","14.5434","0.0003","90","","90","","120","","6231","0.2","150","2","150","2","","","","","","","","5","P 31","P 31","144","","","","- C18 H48 B10 N6 S -","- C18 H48 B10 N6 S -","- C162 H432 B90 N54 S9 -","9","3","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","1.54178","CuKα","","0.1335","0.1139","","","0.2926","0.3213","","","","","","1.286","","","","has coordinates,has disorder","213769","2020-10-21","18:00:00",""
"7123036","10.9419","0.0006","13.0988","0.0007","17.6099","0.0011","90","","99.408","0.002","90","","2490","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 B11 I N4 S -","- C14 H30 B11 I N4 S -","- C56 H120 B44 I4 N16 S4 -","4","1","","Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","Thiaborane clusters with the exoskeletal B-H group","Chemical Communications","2019","","","","","10.1039/C9CC00952C","","","0.71073","MoKα","","0.0409","0.0306","","","0.0665","0.0714","","","","","","1.075","","","","has coordinates","213769","2020-10-21","18:00:00",""
"7123037","17.4339","0.0006","11.9674","0.0003","18.4715","0.0007","90","","117.847","0.005","90","","3407.6","0.2","101","2","101","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Br Mn N2 O2 S2 -","- C16 H14 Br Mn N2 O2 S2 -","- C128 H112 Br8 Mn8 N16 O16 S16 -","8","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0297","0.026","","","0.0679","0.0692","","","","","","1.049","","","","has coordinates","213770","2020-10-21","18:00:00",""
"7123038","8.46572","0.00014","14.8583","0.0002","15.3199","0.0002","90","","98.6737","0.0015","90","","1904.99","0.05","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Mn N2 O6 S2 -","- C18 H17 Mn N2 O6 S2 -","- C72 H68 Mn4 N8 O24 S8 -","4","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.0753","0.0782","","","","","","1.091","","","","has coordinates","213770","2020-10-21","18:00:00",""
"7123039","9.3544","0.0002","16.431","0.0004","19.2887","0.0005","90","","94.431","0.002","90","","2955.85","0.12","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 D24 K Mn N2 O5 S2 -","- C28 H12 D24 K Mn N2 O5 S2 -","- C112 H48 D96 K4 Mn4 N8 O20 S8 -","4","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0561","0.046","","","0.1076","0.1123","","","","","","1.076","","","","has coordinates,has disorder","213770","2020-10-21","18:00:00",""
"7123040","13.7117","0.0003","13.0041","0.0002","8.82065","0.00019","90","","104.355","0.002","90","","1523.69","0.05","94","2","94","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Mn N2 O2 S2 -","- C16 H13 Mn N2 O2 S2 -","- C64 H52 Mn4 N8 O8 S8 -","4","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0518","0.0477","","","0.1076","0.1088","","","","","","1.312","","","","has coordinates,has disorder","213770","2020-10-21","18:00:00",""
"7123041","18.1969","0.0003","12.35882","0.00016","16.6861","0.0003","90","","117.826","0.002","90","","3318.66","0.11","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl Mn N2 O2 S2 -","- C16 H14 Cl Mn N2 O2 S2 -","- C128 H112 Cl8 Mn8 N16 O16 S16 -","8","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0258","0.0235","","","0.0642","0.0652","","","","","","1.035","","","","has coordinates","213770","2020-10-21","18:00:00",""
"7123042","17.9479","0.0006","17.9479","0.0006","22.2481","0.0008","90","","90","","90","","7166.7","0.4","153","2","153","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","NJU-Bai51","","- C28 H10 Br4 N11 O19 Sc3 -","- C28 H10 Br4 N11 O19 Sc3 -","- C112 H40 Br16 N44 O76 Sc12 -","4","0.25","","Song, Xiaohui; Zhang, Mingxing; Duan, Jingui; Bai, Junfeng","Constructing and finely tuning CO2 traps of stable and various-pores-containing MOFs towards highly selective CO2 capture","Chemical Communications","2019","","","","","10.1039/C8CC10116G","","","0.71073","MoKα","","0.0778","0.0686","","","0.1896","0.1967","","","","","","1.054","","","","has coordinates","213798","2020-10-21","18:00:00",""
"7123043","17.5036","0.0009","17.5036","0.0009","22.463","0.002","90","","90","","90","","6882.1","0.8","153","2","153","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","NJU-Bai51a(CO2)","","- C29 H8 Br4 N10 O17 Sc3 -","- C29 H8 Br4 N10 O17 Sc3 -","- C116 H32 Br16 N40 O68 Sc12 -","4","0.25","","Song, Xiaohui; Zhang, Mingxing; Duan, Jingui; Bai, Junfeng","Constructing and finely tuning CO2 traps of stable and various-pores-containing MOFs towards highly selective CO2 capture","Chemical Communications","2019","","","","","10.1039/C8CC10116G","","","0.71073","MoKα","","0.2401","0.1166","","","0.3252","0.4334","","","","","","1.297","","","","has coordinates","213798","2020-10-21","18:00:00",""
"7123044","18.1419","0.0009","18.1419","0.0009","20.5197","0.0018","90","","90","","120","","5848.8","0.7","123","2","123","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","NJU-Bai50","","- C28 H12 N10 O16 Sc3 -","- C28 H12 N10 O16 Sc3 -","- C84 H36 N30 O48 Sc9 -","3","0.25","","Song, Xiaohui; Zhang, Mingxing; Duan, Jingui; Bai, Junfeng","Constructing and finely tuning CO2 traps of stable and various-pores-containing MOFs towards highly selective CO2 capture","Chemical Communications","2019","","","","","10.1039/C8CC10116G","","","0.71073","MoKα","","0.186","0.1126","","","0.2633","0.3023","","","","","","1.014","","","","has coordinates","213798","2020-10-21","18:00:00",""
"7123045","16.2767","0.0003","37.3828","0.0007","16.9637","0.0003","90","","99.887","0.007","90","","10168.6","0.4","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C142 H258 Au8 N8 O63 P8 Pd4 S8 -","- C142 H165 Au8 N8 O63 P8 Pd4 S8 -","- C284 H330 Au16 N16 O126 P16 Pd8 S16 -","2","1","","Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi","Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC00152B","","","0.71075","MoKα","","0.0809","0.0576","","","0.1125","0.1211","","","","","","1.021","","","","has coordinates,has disorder","213836","2020-10-21","18:00:00",""
"7123046","20.842","0.004","17.342","0.004","25.184","0.005","90","","96.43","0.02","90","","9045","3","100","2","100","2","","","","","","","","9","I 1 2 1","I 2y","5","","","","- C70 H90 Au4 Cu2 N8 O25 P4 Pd2 S4 -","- C70 H80 Au4 Cu2 N8 O25 P4 Pd2 S4 -","- C280 H320 Au16 Cu8 N32 O100 P16 Pd8 S16 -","4","1","","Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi","Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC00152B","","","0.63","synchrotron","","0.1409","0.0625","","","0.1347","0.1536","","","","","","0.871","","","","has coordinates","213836","2020-10-21","18:00:00",""
"7123047","16.8393","0.0017","20.715","0.002","26.283","0.003","90","","90","","90","","9168.2","1.7","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C70 H96 Au4 Cu2 N8 O28 P4 Pd2 S4 -","- C70 H80 Au4 Cu2 N8 O28 P4 Pd2 S4 -","- C280 H320 Au16 Cu8 N32 O112 P16 Pd8 S16 -","4","1","","Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi","Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC00152B","","","0.7002","synchrotron","","0.1399","0.0807","","","0.1458","0.1742","","","","","","0.924","","","","has coordinates","213836","2020-10-21","18:00:00",""
"7123048","20.944","0.004","20.52","0.004","19.008","0.004","90","","95.45","0.03","90","","8132","3","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H38 Cu2 Dy F42 N5 O18 -","- C60 H38 Cu2 Dy F42 N5 O18 -","- C240 H152 Cu8 Dy4 F168 N20 O72 -","4","1","","Xie, Jing; Li, Hongdao; Yang, Meng; Sun, Juan; Li, Licun; Sutter, Jean-Pascal","Improved single-chain-magnet behavior in a biradical-based nitronyl nitroxide-Cu-Dy chain","Chemical Communications","2019","","","","","10.1039/C9CC00570F","","","0.71073","MoKα","","0.0997","0.0806","","","0.2053","0.2218","","","","","","1.069","","","","has coordinates","213837","2020-10-21","18:00:00",""
"7123049","11.4586","0.0016","19.143","0.003","30.168","0.004","90","","90","","90","","6617.4","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H54 B N3 O2 Si3 -","- C27 H54 B N3 O2 Si3 -","- C216 H432 B8 N24 O16 Si24 -","8","1","","Roesky, Herbert W.; Swamy, V S. V. S. N.; Vanka, Kumar; Raj, K. Vipin; Sen, Sakya Singha","Silylene induced cooperative B‒H bond activation and unprecedented aldehyde C‒H bond splitting with amidinate ring expansion","Chemical Communications","2019","","","","","10.1039/C9CC00296K","","","1.54178","CuKα","","0.1063","0.0819","","","0.2416","0.282","","","","","","1.179","","","","has coordinates","213838","2020-10-21","18:00:00",""
"7123050","11.5445","0.0003","16.4615","0.0004","17.4112","0.0004","90","","106.504","0.001","90","","3172.5","0.14","217","2","217","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 F N3 O Si3 -","- C28 H46 F N3 O Si3 -","- C112 H184 F4 N12 O4 Si12 -","4","1","","Roesky, Herbert W.; Swamy, V S. V. S. N.; Vanka, Kumar; Raj, K. Vipin; Sen, Sakya Singha","Silylene induced cooperative B‒H bond activation and unprecedented aldehyde C‒H bond splitting with amidinate ring expansion","Chemical Communications","2019","","","","","10.1039/C9CC00296K","","","0.71073","MoKα","","0.0469","0.0377","","","0.0871","0.0923","","","","","","1.03","","","","has coordinates","213838","2020-10-21","18:00:00",""
"7123051","10.8132","0.0014","10.9099","0.0013","13.5038","0.0017","80.743","0.003","78.036","0.003","79.717","0.003","1520.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 N3 O Si3 -","- C28 H47 N3 O Si3 -","- C56 H94 N6 O2 Si6 -","2","1","","Roesky, Herbert W.; Swamy, V S. V. S. N.; Vanka, Kumar; Raj, K. Vipin; Sen, Sakya Singha","Silylene induced cooperative B‒H bond activation and unprecedented aldehyde C‒H bond splitting with amidinate ring expansion","Chemical Communications","2019","","","","","10.1039/C9CC00296K","","","0.71073","MoKα","","0.1084","0.0535","","","0.088","0.1049","","","","","","1.026","","","","has coordinates","213838","2020-10-21","18:00:00",""
"7123052","11.174","0.004","16.174","0.006","20.535","0.008","90","","101.522","0.009","90","","3636","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 F2 N3 O2 Si3 -","- C35 H51 F2 N3 O2 Si3 -","- C140 H204 F8 N12 O8 Si12 -","4","1","","Roesky, Herbert W.; Swamy, V S. V. S. N.; Vanka, Kumar; Raj, K. Vipin; Sen, Sakya Singha","Silylene induced cooperative B‒H bond activation and unprecedented aldehyde C‒H bond splitting with amidinate ring expansion","Chemical Communications","2019","","","","","10.1039/C9CC00296K","","","0.71073","MoKα","","0.1479","0.0693","","","0.0973","0.1185","","","","","","1.046","","","","has coordinates","213838","2020-10-21","18:00:00",""
"7123053","14.7037","0.0004","14.1409","0.0003","18.2503","0.0004","90","","111.27","0.003","90","","3536.18","0.16","100.02","0.16","100.02","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 B6 Li O3 -","- C12 H30 B6 Li O3 -","- C96 H240 B48 Li8 O24 -","8","1","","Møller, Kasper T.; Paskevicius, Mark; Andreasen, Jacob Ginnerup; Lee, Junqiao; Chen-Tan, Nigel; Overgaard, Jacob; Payandeh, Seyedhosein; Silvester, Debbie S.; Buckley, Craig; Jensen, Torben Rene R.","Molten metal closo-borate solvates","Chemical Communications","2019","","","","","10.1039/C9CC00187E","","x-ray","0.71073","MoKα","","0.0668","0.0555","","","0.1434","0.1528","","","","","","1.032","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7123054","10.0374","0.0004","10.0374","0.0004","31.778","0.002","90","","90","","90","","3201.6","0.3","100","1","100","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8 H18 B6 Li N4 -","- C8 H18 B6 Li N4 -","- C64 H144 B48 Li8 N32 -","8","1","","Møller, Kasper T.; Paskevicius, Mark; Andreasen, Jacob Ginnerup; Lee, Junqiao; Chen-Tan, Nigel; Overgaard, Jacob; Payandeh, Seyedhosein; Silvester, Debbie S.; Buckley, Craig; Jensen, Torben Rene R.","Molten metal closo-borate solvates","Chemical Communications","2019","","","","","10.1039/C9CC00187E","","x-ray","0.71073","MoKα","","0.0776","0.0522","","","0.1049","0.1175","","","","","","1.049","","","","has coordinates","213839","2020-10-21","18:00:00",""
"7123055","12.9721","0.0015","11.6133","0.0014","15.7313","0.0019","90","","112.663","0.001","90","","2186.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N O4 S2 -","- C22 H18 Br N O4 S2 -","- C88 H72 Br4 N4 O16 S8 -","4","1","","He, Xingyi; Yue, Xin; Zhang, Lei; Wu, Shuang; Hu, Ming; Li, Jin-Heng","Multiple-Functionalizations of Terminal Alkynes with Sodium Sulfinates and tert-Butyl Nitrite: Facile Synthesis of 2H-Azirines","Chemical Communications","2019","","","","","10.1039/C9CC00625G","","","0.71073","MoKα","","0.0732","0.0347","","","0.0768","0.0934","","","","","","1.01","","","","has coordinates","213859","2020-10-21","18:00:00",""
"7123056","6.6754","0.0011","8.1836","0.0013","11.2567","0.0017","94.152","0.004","104.263","0.004","104.096","0.004","572.28","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N8 O8 -","- C6 H8 N8 O8 -","- C12 H16 N16 O16 -","2","1","","Yan, Chao; Qi, Xiujuan; Wang, Kangcai; Jin, Yunhe; Cheng, Guangbin; Liu, Tianlin; Yang, Hongwei; Zhang, Qinghua","Revisiting the Reactive Chemistry of FOX-7: Cyclization of FOX-7 Affords Fused-Ring Polynitro Compounds","Chemical Communications","2019","","","","","10.1039/C8CC10178G","","","0.71073","MoKα","","0.0832","0.0609","","","0.1743","0.1935","","","","","","1.067","","","","has coordinates","213860","2020-10-21","18:00:00",""
"7123057","9.155","0.002","7.2579","0.0017","23.291","0.005","90","","90","","90","","1547.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O5 -","- C4 H6 N6 O5 -","- C32 H48 N48 O40 -","8","1","","Yan, Chao; Qi, Xiujuan; Wang, Kangcai; Jin, Yunhe; Cheng, Guangbin; Liu, Tianlin; Yang, Hongwei; Zhang, Qinghua","Revisiting the Reactive Chemistry of FOX-7: Cyclization of FOX-7 Affords Fused-Ring Polynitro Compounds","Chemical Communications","2019","","","","","10.1039/C8CC10178G","","","0.71073","MoKα","","0.0856","0.0551","","","0.1372","0.154","","","","","","1.043","","","","has coordinates,has disorder","213860","2020-10-21","18:00:00",""
"7123058","14.057","0.002","19.813","0.004","11.851","0.002","90","","112.567","0.003","90","","3047.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 N O3 -","- C41 H31 N O3 -","- C164 H124 N4 O12 -","4","1","","Jiang, Shan; Wang, Jiayu; Qi, Qingkai; Qian, Jingyu; Xu, Bin; Li, Fangfei; Zhou, Qiang; Tian, Wenjing","Organic Polymorphs with Fluorescence Switching: Direct Evidences for Mechanical and Thermal Modulation of Excited State Transitions","Chemical Communications","2019","","","","","10.1039/C9CC00234K","","","0.71073","MoKα","","0.1711","0.0574","","","0.1027","0.1344","","","","","","1.003","","","","has coordinates","213861","2020-10-21","18:00:00",""
"7123059","10.277","0.002","10.359","0.002","16.047","0.003","96.13","0.03","93.45","0.03","94.2","0.03","1690","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45.5 H41 N O4 -","- C41 H31 N O3 -","- C82 H62 N2 O6 -","2","1","","Jiang, Shan; Wang, Jiayu; Qi, Qingkai; Qian, Jingyu; Xu, Bin; Li, Fangfei; Zhou, Qiang; Tian, Wenjing","Organic Polymorphs with Fluorescence Switching: Direct Evidences for Mechanical and Thermal Modulation of Excited State Transitions","Chemical Communications","2019","","","","","10.1039/C9CC00234K","","","0.71073","MoKα","","0.1426","0.0638","","","0.1585","0.2004","","","","","","0.897","","","","has coordinates,has disorder","213861","2020-10-21","18:00:00",""
"7123060","12.7361","0.0009","17.3444","0.0012","17.9512","0.0012","90","","99.455","0.001","90","","3911.5","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Cl6 N2 O2 P -","- C34 H49 Cl6 N2 O2 P -","- C136 H196 Cl24 N8 O8 P4 -","4","1","","Bacher, Emily P.; Lepore, Antonio J.; Pena-Romero, Deisy; Smith, Bradley D.; Ashfeld, Brandon L.","Nucleophilic addition of phosphorus(iii) derivatives to squaraines: colorimetric detection of transition metal-mediated or thermal reversion","Chemical Communications","2019","","","","","10.1039/C9CC01243E","","","0.71073","MoKα","","0.0479","0.0375","","","0.1002","0.1056","","","","","","1.09","","","","has coordinates","213884","2020-10-21","18:00:00",""
"7123061","11.303","0.002","16.818","0.003","17.303","0.004","114.03","0.03","91.59","0.03","103.58","0.03","2891.8","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","{[Zn2(3-bpep)2(2,5-FDC)2]?1.5H2O}n","1","","- C128 H80 N16 O21 Zn4 -","- C128 H80 N16 O21 Zn4 -","- C128 H80 N16 O21 Zn4 -","1","0.5","","SiMa, Jia-Yun; Li, Hong-Xi; Young, david James; Braunstein, Pierre; Lang, Jian-Ping","Reversible dielectric switching behavior of a 1D coordination polymer induced by photo and thermal irradiation","Chemical Communications","2019","","","","","10.1039/C9CC00864K","","","0.71073","MoKα","","0.0907","0.073","","","0.1805","0.1963","","","","","","1.1","","","","has coordinates","213885","2020-10-21","18:00:00",""
"7123062","12.16","0.0019","16.108","0.003","16.784","0.003","63.358","0.005","71.354","0.005","79.229","0.005","2780.6","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","{[Zn2(3-bpep)(3-bpbpycb)0.5]?H2O}n","2","","- C64 H40 N8 O10 Zn2 -","- C64 H40 N8 O10 Zn2 -","- C128 H80 N16 O20 Zn4 -","2","1","","SiMa, Jia-Yun; Li, Hong-Xi; Young, david James; Braunstein, Pierre; Lang, Jian-Ping","Reversible dielectric switching behavior of a 1D coordination polymer induced by photo and thermal irradiation","Chemical Communications","2019","","","","","10.1039/C9CC00864K","","","0.71073","MoKα","","0.1269","0.0807","","","0.2","0.2235","","","","","","1.056","","","","has coordinates","213886","2020-10-21","18:00:00",""
"7123063","38.279","0.005","15.412","0.0019","17.904","0.002","90","","100.866","0.004","90","","10373","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.2 H71.86 F6 In N2.77 O3.23 P -","- C49.402 H72.138 F6 In N2.75 O3.25 P -","- C395.216 H577.104 F48 In8 N22 O26 P8 -","8","1","","Diaz, Carlos; Ebrahimi, Tannaz; Mehrkhodavandi, Parisa","Cationic indium complexes for the copolymerization of functionalized epoxides with cyclic ethers and lactide","Chemical Communications","2019","","","","","10.1039/C8CC08858F","","x-ray","0.71073","MoKα","","0.0716","0.0577","","","0.1536","0.1675","","","","","","1.03","","","","has coordinates,has disorder","213902","2020-10-21","18:00:00",""
"7123064","27.115","0.003","10.3591","0.0009","41.932","0.004","90","","102.098","0.006","90","","11517","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 F6 In N2 O4 Sb -","- C44 H68 F6 In N2 O4 Sb -","- C352 H544 F48 In8 N16 O32 Sb8 -","8","1","","Diaz, Carlos; Ebrahimi, Tannaz; Mehrkhodavandi, Parisa","Cationic indium complexes for the copolymerization of functionalized epoxides with cyclic ethers and lactide","Chemical Communications","2019","","","","","10.1039/C8CC08858F","","x-ray","0.71073","MoKα","","0.0869","0.0621","","","0.1646","0.1796","","","","","","1.031","","","","has coordinates,has disorder","213902","2020-10-21","18:00:00",""
"7123065","9.2636","0.0012","15.978","0.002","16.814","0.002","78.475","0.005","85.242","0.005","82.119","0.005","2411.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H76 B F4 In N2 O5 -","- C48 H76 B F4 In N2 O5 -","- C96 H152 B2 F8 In2 N4 O10 -","2","1","","Diaz, Carlos; Ebrahimi, Tannaz; Mehrkhodavandi, Parisa","Cationic indium complexes for the copolymerization of functionalized epoxides with cyclic ethers and lactide","Chemical Communications","2019","","","","","10.1039/C8CC08858F","","x-ray","0.71073","MoKα","","0.0866","0.0563","","","0.128","0.143","","","","","","1.002","","","","has coordinates,has disorder","213902","2020-10-21","18:00:00",""
"7123066","12.091","0.008","5.651","0.004","17.732","0.012","90","","99.197","0.015","90","","1196","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","","Ghosh, Debasish; Nandi, Rajesh; Khamarui, Saikat; Ghosh, Sukla; Maiti, Dilip K.","Selective amidation by a photocatalyzed umpolung reaction","Chemical Communications","2019","","","","","10.1039/C9CC01079C","","","0.71073","MoKα","","0.1299","0.0772","","","0.2069","0.2384","","","","","","1.132","","","","has coordinates","213927","2020-10-21","18:00:00",""
"7123067","18.1601","0.0003","18.1601","0.0003","18.1601","0.0003","90","","90","","90","","5989.01","0.17","150","0.2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H9 N3 O16 Zn4 -","- C27 H9 N3 O16 Zn4 -","- C108 H36 N12 O64 Zn16 -","4","0.333333","","Xue, Hui; Zhou, Kang; Liu, Luyao; wu, dong; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Zhang, Jian; Hong, Maochun","Chiral induction in a pcu-derived network from achiral precursors","Chemical Communications","2019","","","","","10.1039/C9CC00692C","","","1.54184","CuKα","","0.0493","0.0449","","","0.1223","0.1272","","","","","","1.018","","","","has coordinates,has disorder","213928","2020-10-21","18:00:00",""
"7123068","18.171","0.0002","18.171","0.0002","18.171","0.0002","90","","90","","90","","5999.8","0.11","150","0.2","150","0.2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H9 N3 O16 Zn4 -","- C27 H9 N3 O16 Zn4 -","- C108 H36 N12 O64 Zn16 -","4","0.333333","","Xue, Hui; Zhou, Kang; Liu, Luyao; wu, dong; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Zhang, Jian; Hong, Maochun","Chiral induction in a pcu-derived network from achiral precursors","Chemical Communications","2019","","","","","10.1039/C9CC00692C","","","1.54184","CuKα","","0.0406","0.0376","","","0.1053","0.1082","","","","","","1.061","","","","has coordinates,has disorder","213928","2020-10-21","18:00:00",""
"7123069","7.387","0.0009","15.2414","0.0018","17.567","0.002","90","","98.727","0.002","90","","1954.9","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","TBNP","","- C20 H8 Br4 N4 -","- C20 H8 Br4 N4 -","- C80 H32 Br16 N16 -","4","1","","Liu, Jun; Min, Yang; Dou, Chuandong; Tian, Hongkun; Wang, Lixiang","A Disk-Type Polyarene Containing Four B←N Units","Chemical Communications","2019","","","","","10.1039/C9CC00769E","","","0.71073","MoKα","","0.0572","0.0335","","","0.0886","0.1156","","","","","","1.02","","","","has coordinates","213929","2020-10-21","18:00:00",""
"7123070","9.8155","0.0005","11.1719","0.0005","11.1821","0.0005","91.5571","0.0016","95.2218","0.0016","101.216","0.0017","1196.53","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H35 N3 O5 -","- C24 H35 N3 O5 -","- C48 H70 N6 O10 -","2","1","","Picott, Katherine J.; Deichert, Julie A.; deKemp, Ella M; Schatte, Gabriele; Sauriol, Françoise; Ross, Avena C.","Isolation and characterization of tambjamine MYP1, a macrocyclic tambjamine analogue from marine bacterium <i>Pseudoalteromonas citrea</i>.","MedChemComm","2019","10","3","478","483","10.1039/c9md00061e","","","0.71073","MoKα","","0.0954","0.0641","","","0.1568","0.1795","","","","","","1.018","","","","has coordinates","224647","2020-10-21","18:00:00",""
"7123071","10.6352","0.0006","5.1542","0.0009","19.245","0.001","90","","90.491","0.006","90","","1054.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Zhao, Huaxing; Ma, Guobin; Xie, Xiaojuan; Wang, yong; Hao, Jian; Wan, Wen","Pd(II)-catalyzed decarboxylative meta-C‒H difluoromethylation","Chemical Communications","2019","","","","","10.1039/C9CC00984A","","","1.54184","CuKα","","0.0487","0.0473","","","0.1353","0.1365","","","","","","1.104","","","","has coordinates","213939","2020-10-21","18:00:00",""
"7123072","11.7106","0.0008","7.763","0.001","16.584","0.002","90","","90.975","0.003","90","","1507.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O7 -","- C14 H17 N O7 -","- C56 H68 N4 O28 -","4","1","","Zhao, Huaxing; Ma, Guobin; Xie, Xiaojuan; Wang, yong; Hao, Jian; Wan, Wen","Pd(II)-catalyzed decarboxylative meta-C‒H difluoromethylation","Chemical Communications","2019","","","","","10.1039/C9CC00984A","","","0.71073","MoKα","","0.0812","0.048","","","0.1222","0.1461","","","","","","0.932","","","","has coordinates","213939","2020-10-21","18:00:00",""
"7123073","10.703","0.01","10.124","0.009","14.561","0.013","90","","93.534","0.014","90","","1575","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 O P -","- C20 H15 O P -","- C80 H60 O4 P4 -","4","1","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0809","0.0857","","","","","","1.055","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123074","11.2805","0.0014","13.0713","0.0017","15.639","0.002","102.466","0.002","110.532","0.002","96.26","0.002","2065.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H41 B F15 O P -","- C45 H41 B F15 O P -","- C90 H82 B2 F30 O2 P2 -","2","1","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.0853","0.0481","","","0.0987","0.1131","","","","","","1.023","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123075","8.6481","0.001","22.635","0.003","13.7034","0.0016","90","","90.665","0.002","90","","2682.3","0.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Al2 O P -","- C26 H33 Al2 O P -","- C104 H132 Al8 O4 P4 -","4","1","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.0531","0.0407","","","0.1054","0.1127","","","","","","1.043","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123076","10.3865","0.0008","13.6653","0.001","14.2202","0.0011","113.839","0.001","90.969","0.001","102.464","0.001","1790.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Br N2 O P -","- C43 H36 Br N2 O P -","- C86 H72 Br2 N4 O2 P2 -","2","1","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.0396","0.0312","","","0.0753","0.0788","","","","","","1.035","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123077","14.1064","0.0019","14.031","0.0019","19.066","0.003","90","","107.466","0.002","90","","3599.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 O P -","- C20 H33 O P -","- C160 H264 O8 P8 -","8","2","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.044","0.0341","","","0.0838","0.0898","","","","","","1.035","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123078","9.798","0.001","18.6088","0.0018","20.228","0.002","101.793","0.001","95.866","0.001","99.271","0.001","3528.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H37 B F3 O P -","- C39 H29 B F3 O P -","- C156 H116 B4 F12 O4 P4 -","4","2","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.1107","0.0538","","","0.1117","0.1333","","","","","","0.977","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123079","11.1971","0.0015","15.351","0.002","21.663","0.003","90","","94.574","0.002","90","","3711.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Al F15 O P -","- C38 H33 Al F15 O P -","- C152 H132 Al4 F60 O4 P4 -","4","1","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.0534","0.0348","","","0.0773","0.0849","","","","","","1.012","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123080","11.9223","0.0018","17.418","0.003","19.227","0.003","90","","102.096","0.002","90","","3904.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H15 B F15 O P -","- C38 H15 B F15 O P -","- C152 H60 B4 F60 O4 P4 -","4","1","","Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia","Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO","Chemical Communications","2019","","","","","10.1039/C9CC01239G","","","0.71073","MoKα","","0.0899","0.0506","","","0.1141","0.1309","","","","","","1.022","","","","has coordinates","213940","2020-10-21","18:00:00",""
"7123081","6.835","0.0001","7.9694","0.0002","24.6235","0.0005","90","","96.505","0.001","90","","1332.63","0.05","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C66 H72 O8 -","2","1","","Zhang, Ying; Shen, Hong-Cheng; Li, Yang-Yang; Huang, Yong-Shuang; Han, Zhiyong; Wu, Xiang","Access to Chiral Tetrahydrofluorenes through Palladium-Catalyzed Enantioselective Tandem Intramolecular Heck/Tsuji‒Trost Reaction","Chemical Communications","2019","","","","","10.1039/C9CC01379B","","","1.34139","GaKα","","0.0428","0.0416","","","0.1107","0.1121","","","","","","1.058","","","","has coordinates","213988","2020-10-21","18:00:00",""
"7123082","7.4998","0.0009","23.79","0.003","7.8325","0.0009","90","","100.688","0.002","90","","1373.2","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 Br3 N2 O3 -","- C28 H25 Br3 N2 O3 -","- C56 H50 Br6 N4 O6 -","2","1","","Zhang, Ying; Shen, Hong-Cheng; Li, Yang-Yang; Huang, Yong-Shuang; Han, Zhiyong; Wu, Xiang","Access to Chiral Tetrahydrofluorenes through Palladium-Catalyzed Enantioselective Tandem Intramolecular Heck/Tsuji‒Trost Reaction","Chemical Communications","2019","","","","","10.1039/C9CC01379B","","","0.71073","MoKα","","0.0963","0.0443","","","0.0872","0.1035","","","","","","0.992","","","","has coordinates","213988","2020-10-21","18:00:00",""
"7123083","6.8764","0.0003","28.8263","0.0015","10.7581","0.0005","90","","91.294","0.001","90","","2131.94","0.18","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H34 B18 Fe N -","- C8 H34 B18 Fe N -","- C32 H136 B72 Fe4 N4 -","4","1","","Buades, Anna B.; Arderiu, Víctor S.; Maxwell, Lindley; Amoza-Davila, Martin; Choquesillo-Lazarte, Duane; Aliaga-Alcalde, Núria; Vinas, Clara; Teixidor, Francesc; Ruiz, Eliseo","Slow Spin Relaxation in a Low-Spin S=1/2 FeIII Carborane Complex","Chemical Communications","2019","","","","","10.1039/C9CC01123D","","","0.82654","","","0.0618","0.061","","","0.1461","0.147","","","","","","1.057","","","","has coordinates","213989","2020-10-21","18:00:00",""
"7123084","9.7677","0.0007","13.6042","0.0012","14.1949","0.0011","93.234","0.007","99.276","0.006","105.176","0.007","1787","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 Br3 O9 -","- C38 H31 Br3 O9 -","- C76 H62 Br6 O18 -","2","1","","Liu, Lin; Lei, Lin-Sheng; Zhan, Zong-Song; Liu, Si-Zhan; Wang, Yu-Xiao; Tu, Yong Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Ma, Ai-Jun; Wang, Shao-Hua","A Catalytic Asymmetric One-Pot [3+2] Cyclization/Semipinacol Rearrangement Sequence: An Efficient Construction of MultiSubstituted 3H-Spiro[benzofuran-2,1'-cyclopentane] Skeleton","Chemical Communications","2019","","","","","10.1039/C9CC00811J","","","1.54184","CuKα","","0.0408","0.0321","","","0.0784","0.0842","","","","","","1.021","","","","has coordinates","213990","2020-10-21","18:00:00",""
"7123085","17.305","0.0004","7.58059","0.00015","19.3663","0.0004","90","","109.178","0.003","90","","2399.52","0.1","291.53","0.15","291.53","0.15","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Liu, Lin; Lei, Lin-Sheng; Zhan, Zong-Song; Liu, Si-Zhan; Wang, Yu-Xiao; Tu, Yong Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Ma, Ai-Jun; Wang, Shao-Hua","A Catalytic Asymmetric One-Pot [3+2] Cyclization/Semipinacol Rearrangement Sequence: An Efficient Construction of MultiSubstituted 3H-Spiro[benzofuran-2,1'-cyclopentane] Skeleton","Chemical Communications","2019","","","","","10.1039/C9CC00811J","","","1.54184","CuKα","","0.0377","0.0369","","","0.1004","0.1014","","","","","","1.11","","","","has coordinates","213990","2020-10-21","18:00:00",""
"7123086","13.009","0.007","9.88","0.005","15.062","0.008","90","","92.898","0.008","90","","1933.4","1.8","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F N O2 S -","- C23 H20 F N O2 S -","- C92 H80 F4 N4 O8 S4 -","4","1","","Hou, Yangyang; Ma, Jing; Yang, Hongyi; Whiting, Andrew; Anderson, Edward Alexander; Wu, Na","Palladium-Catalysed Ligand-Free Reductive Heck Cycloisomerisation of 1,6-En-α-Chloro-Enamides","Chemical Communications","2019","","","","","10.1039/C9CC00537D","","","0.71073","MoKα","","0.0491","0.0375","","","0.0988","0.1079","","","","","","1.021","","","","has coordinates","213991","2020-10-21","18:00:00",""
"7123087","38.807","0.008","9.861","0.002","27.118","0.005","90","","114.84","0.01","90","","9417","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H74 Ce N7 Si4 -","- C38 H74 Ce N7 Si4 -","- C304 H592 Ce8 N56 Si32 -","8","1","","Qiao, Yusen; Cheisson, Thibault; Manor, Brian; Carroll, Patrick; Schelter, Eric J.","A Strategy to Improve the Performance of Cerium(III) Photocatalysts","Chemical Communications","2019","","","","","10.1039/C9CC00282K","","","0.71073","MoKα","","0.0338","0.0232","","","0.0468","0.0496","","","","","","1.02","","","","has coordinates","214024","2020-10-21","18:00:00",""
"7123088","16.2387","0.0007","15.6974","0.0007","18.977","0.0008","90","","98.966","0.002","90","","4778.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H80 Ce N7 Si5 -","- C32 H80 Ce N7 Si5 -","- C128 H320 Ce4 N28 Si20 -","4","1","","Qiao, Yusen; Cheisson, Thibault; Manor, Brian; Carroll, Patrick; Schelter, Eric J.","A Strategy to Improve the Performance of Cerium(III) Photocatalysts","Chemical Communications","2019","","","","","10.1039/C9CC00282K","","","0.71073","MoKα","","0.0388","0.0298","","","0.0736","0.078","","","","","","1.04","","","","has coordinates","214024","2020-10-21","18:00:00",""
"7123089","27.5818","0.0019","11.4017","0.0007","16.4584","0.0011","90","","108.124","0.004","90","","4919","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H82 Ce N7 Si5 -","- C33 H82 Ce N7 Si5 -","- C132 H328 Ce4 N28 Si20 -","4","0.5","","Qiao, Yusen; Cheisson, Thibault; Manor, Brian; Carroll, Patrick; Schelter, Eric J.","A Strategy to Improve the Performance of Cerium(III) Photocatalysts","Chemical Communications","2019","","","","","10.1039/C9CC00282K","","","0.71073","MoKα","","0.0327","0.0246","","","0.0498","0.0518","","","","","","1.105","","","","has coordinates,has disorder","214024","2020-10-21","18:00:00",""
"7123090","9.7891","0.0006","13.8429","0.0008","18.3691","0.001","104.602","0.002","95.608","0.002","102.71","0.002","2318.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H76 Ce N7 Si4 -","- C35 H76 Ce N7 Si4 -","- C70 H152 Ce2 N14 Si8 -","2","1","","Qiao, Yusen; Cheisson, Thibault; Manor, Brian; Carroll, Patrick; Schelter, Eric J.","A Strategy to Improve the Performance of Cerium(III) Photocatalysts","Chemical Communications","2019","","","","","10.1039/C9CC00282K","","","0.71073","MoKα","","0.028","0.0226","","","0.0462","0.0479","","","","","","1.058","","","","has coordinates","214024","2020-10-21","18:00:00",""
"7123091","9.4261","0.0005","13.8076","0.0007","12.9123","0.0006","90","","103.374","0.002","90","","1634.98","0.14","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Au Cl3 N O -","- C16 H15 Au Cl3 N O -","- C64 H60 Au4 Cl12 N4 O4 -","4","1","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","","0.71073","MoKα","","0.0473","0.0445","","","0.1012","0.1024","","","","","","1.127","","","","has coordinates,has disorder","214025","2020-10-21","18:00:00",""
"7123092","10.8873","0.0006","9.2862","0.0005","17.0618","0.0008","90","","105.689","0.002","90","","1660.71","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Au Cl3 N O Si -","- C12 H17 Au Cl3 N O Si -","- C48 H68 Au4 Cl12 N4 O4 Si4 -","4","1","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","x-ray","0.71073","MoKα","","0.0293","0.0258","","","0.0593","0.0606","","","","","","1.102","","","","has coordinates","214025","2020-10-21","18:00:00",""
"7123093","18.7054","0.0012","9.3849","0.0006","19.0118","0.001","90","","90","","90","","3337.5","0.3","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H13 Au Br3 N O -","- C15 H13 Au Br3 N O -","- C120 H104 Au8 Br24 N8 O8 -","8","2","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","x-ray","0.71073","MoKα","","0.1068","0.0846","","","0.2069","0.2389","","","","","","1.06","","","","has coordinates","214025","2020-10-21","18:00:00",""
"7123094","18.2944","0.0017","9.2278","0.0009","18.7981","0.0017","90","","90","","90","","3173.4","0.5","170","","170","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H13 Au Cl3 N O -","- C15 H13 Au Cl3 N O -","- C120 H104 Au8 Cl24 N8 O8 -","8","2","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","x-ray","1.54178","CuKα","","0.0408","0.0405","","","0.1107","0.1111","","","","","","1.105","","","","has coordinates","214025","2020-10-21","18:00:00",""
"7123095","10.7208","0.0007","9.0408","0.0006","15.6932","0.0011","90","","95.192","0.003","90","","1514.82","0.18","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Au Cl3 N O S -","- C13 H11 Au Cl3 N O S -","- C52 H44 Au4 Cl12 N4 O4 S4 -","4","1","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","x-ray","0.71073","MoKα","","0.0421","0.0356","","","0.0934","0.0973","","","","","","1.051","","","","has coordinates","214025","2020-10-21","18:00:00",""
"7123096","24.7754","0.0014","14.496","0.0008","16.5663","0.0009","90","","98.226","0.002","90","","5888.5","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.41 H56.41 Cl9.23 Ir N2 O2 -","- C52.409 H56.409 Cl9.227 Ir N2 O2 -","- C209.636 H225.636 Cl36.908 Ir4 N8 O8 -","4","1","","Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming","Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity","Chemical Communications","2019","","","","","10.1039/C8CC10220A","","","1.54178","CuKα","","0.0493","0.0468","","","0.1259","0.1274","","","","","","1.136","","","","has coordinates,has disorder","214038","2020-10-21","18:00:00",""
"7123097","13.1578","0.0011","14.0956","0.0012","15.0289","0.0013","71.647","0.001","85.234","0.001","70.951","0.001","2500.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H56 Cl3 Ir N2 O3 -","- C52 H56 Cl3 Ir N2 O3 -","- C104 H112 Cl6 Ir2 N4 O6 -","2","1","","Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming","Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity","Chemical Communications","2019","","","","","10.1039/C8CC10220A","","","0.71073","MoKα","","0.0287","0.0244","","","0.0645","0.0673","","","","","","1.05","","","","has coordinates,has disorder","214038","2020-10-21","18:00:00",""
"7123098","11.8989","0.0004","12.7089","0.0004","23.2281","0.0007","90","","90","","90","","3512.6","0.19","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C28 H34 Cl4 Ir N2 O2 -","- C28 H34 Cl4 Ir N2 O2 -","- C112 H136 Cl16 Ir4 N8 O8 -","4","1","","Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming","Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity","Chemical Communications","2019","","","","","10.1039/C8CC10220A","","","1.54178","CuKα","","0.0265","0.0251","","","0.0661","0.0677","","","","","","1.046","","","","has coordinates","214038","2020-10-21","18:00:00",""
"7123099","12.6783","0.0007","12.9154","0.0007","14.6274","0.0008","81.889","0.001","73.02","0.001","65.168","0.001","2078.5","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C38 H56 Cl6 Ir N2 O2 -","- C38 H56 Cl6 Ir N2 O2 -","- C76 H112 Cl12 Ir2 N4 O4 -","2","2","","Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming","Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity","Chemical Communications","2019","","","","","10.1039/C8CC10220A","","","1.54178","CuKα","","0.0333","0.0331","","","0.09","0.0904","","","","","","1.025","","","","has coordinates","214038","2020-10-21","18:00:00",""
"7123100","8.5013","0.0008","12.0985","0.0012","15.0956","0.0017","90","","90","","90","","1552.6","0.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O S2 -","- C14 H21 N O S2 -","- C56 H84 N4 O4 S8 -","4","1","","Reddy, Leleti Rajender; Yogesh, Waman; Kallure, Priya; Swamy, Kumara; Begum, Zubeda; thumbar, Divya; Sharadsrikar, Kotturi","Asymmetric Synthesis of 1-Substituted 2-Azaspiro[3.3]heptanes: An Important Motifs for Modern Drug Discovery.","Chemical Communications","2019","","","","","10.1039/C9CC00863B","","","0.71073","MoKα","","0.0362","0.0341","","","0.0918","0.0944","","","","","","1.074","","","","has coordinates,has disorder","214040","2020-10-21","18:00:00",""
"7123101","7.2269","0.0002","27.1036","0.0008","11.129","0.0003","90","","90.4517","0.0014","90","","2179.83","0.11","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O -","- C28 H22 N4 O -","- C112 H88 N16 O4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0543","0.044","","","0.0988","0.1055","","","","","","1.054","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123102","10.5248","0.0005","9.9507","0.0005","18.3419","0.0009","90","","99.599","0.002","90","","1894.04","0.16","100","2","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C92 H80 N16 O4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0447","0.0372","","","0.0857","0.0917","","","","","","1.055","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123103","9.7931","0.0003","10.0013","0.0004","10.8744","0.0004","95.079","0.002","90.283","0.001","100.401","0.001","1043.23","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H19 N5 -","- C27 H19 N5 -","- C54 H38 N10 -","2","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0408","0.034","","","0.0788","0.0834","","","","","","1.02","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123104","14.7632","0.0003","9.9216","0.0002","17.608","0.0004","90","","94.702","0.001","90","","2570.44","0.09","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 Cl N4 O -","- C33 H23 Cl N4 O -","- C132 H92 Cl4 N16 O4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0385","0.0343","","","0.078","0.081","","","","","","1.031","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123105","14.7956","0.0004","9.9124","0.0003","17.6965","0.0004","90","","95.286","0.001","90","","2584.33","0.12","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 Br N4 O -","- C33 H23 Br N4 O -","- C132 H92 Br4 N16 O4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0287","0.0266","","","0.0644","0.066","","","","","","1.032","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123106","8.0532","0.0002","29.85","0.0008","10.4081","0.0003","90","","90.3969","0.0009","90","","2501.92","0.12","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N4 O -","- C33 H24 N4 O -","- C132 H96 N16 O4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0408","0.0368","","","0.086","0.0891","","","","","","1.019","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123107","9.4579","0.0002","8.3826","0.0002","16.977","0.0004","90","","105.245","0.001","90","","1298.6","0.05","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H19 F5 N4 O -","- C33 H19 F5 N4 O -","- C66 H38 F10 N8 O2 -","2","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0236","0.0234","","","0.0604","0.0607","","","","","","1.06","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123108","8.0102","0.0003","30.2706","0.001","10.4005","0.0003","90","","92.3798","0.0017","90","","2519.67","0.15","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 F N4 O -","- C33 H23 F N4 O -","- C132 H92 F4 N16 O4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0485","0.0393","","","0.0818","0.0871","","","","","","1.052","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123109","9.827","0.0005","19.5256","0.0009","14.1862","0.0006","90","","109.903","0.002","90","","2559.4","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O Si -","- C30 H28 N4 O Si -","- C120 H112 N16 O4 Si4 -","4","1","","Shi, Xiaodong; Lai, Qi; Liu, Qing; Zhao, Kai; Shan, Chuan; Wojtas, Lukasz; Zheng, Qing-Chuan; Song, Zhiguang","Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties","Chemical Communications","2019","","","","","10.1039/C9CC00262F","","","1.54178","CuKα","","0.0412","0.0355","","","0.085","0.0906","","","","","","1.046","","","","has coordinates","214041","2020-10-21","18:00:00",""
"7123110","14.3588","0.0012","15.763","0.002","15.6688","0.0016","90","","103.497","0.009","90","","3448.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H14 O22 S4 Zn4 -","- C24 H14 O22 S4 Zn4 -","- C48 H28 O44 S8 Zn8 -","2","0.5","","Wu, Xiao-Qin; Liu, Yan; Feng, Pei-qi; Wei, Xuehong; Qiu, Xiao-Hang; Ma, Jian-Gong","Design of the Zn-MOF Biosensor via a Ligand “Lock” for the Recognition and Distinction of S-containing Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC01701A","","x-ray","0.71073","MoKα","","0.1874","0.1236","","","0.3601","0.4","","","","","","1.017","","","","has coordinates","214042","2020-10-21","18:00:00",""
"7123111","11.1191","0.001","11.1367","0.001","15.4541","0.0014","87.029","0.003","86.265","0.003","84.741","0.003","1899.6","0.3","290","2","290.08","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 N2 O11 S2 Zn2 -","- C22 H15 N2 O11 S2 Zn2 -","- C44 H30 N4 O22 S4 Zn4 -","2","1","","Wu, Xiao-Qin; Liu, Yan; Feng, Pei-qi; Wei, Xuehong; Qiu, Xiao-Hang; Ma, Jian-Gong","Design of the Zn-MOF Biosensor via a Ligand “Lock” for the Recognition and Distinction of S-containing Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC01701A","","","0.71073","MoKα","","0.0902","0.0874","","","0.2294","0.231","","","","","","1.121","","","","has coordinates","214042","2020-10-21","18:00:00",""
"7123112","13.3667","0.0007","20.5131","0.0013","36.0076","0.0014","90","","90","","90","","9873","0.9","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C16 H12 Fe Hg N6 S4 -","- C16 H12 Fe Hg N6 S4 -","- C256 H192 Fe16 Hg16 N96 S64 -","16","","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Hao, Xiaoyun; Dou, Yong; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Unprecedented hetero-bimetallic three-dimensional spin crossover coordination polymer based on the tetrahedral [Hg(SeCN)4]2- building block","Chemical Communications","2019","","","","","10.1039/C9CC01291E","","","0.71073","MoKα","","0.0434","0.0334","","","0.083","0.0882","","","","","","1.078","","","","has coordinates","214043","2020-10-21","18:00:00",""
"7123113","12.9098","0.0009","20.5604","0.0011","36.051","0.002","90","","90","","90","","9569","1","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C16 H12 Fe Hg N6 Se4 -","- C16 H12 Fe Hg N6 Se4 -","- C256 H192 Fe16 Hg16 N96 Se64 -","16","","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Hao, Xiaoyun; Dou, Yong; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Unprecedented hetero-bimetallic three-dimensional spin crossover coordination polymer based on the tetrahedral [Hg(SeCN)4]2- building block","Chemical Communications","2019","","","","","10.1039/C9CC01291E","","","0.71073","MoKα","","0.0552","0.0417","","","0.0992","0.1064","","","","","","0.971","","","","has coordinates","214043","2020-10-21","18:00:00",""
"7123114","13.2273","0.0005","20.9742","0.001","36.5434","0.001","90","","90","","90","","10138.3","0.7","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C16 H12 Fe Hg N6 Se4 -","- C16 H12 Fe Hg N6 Se4 -","- C256 H192 Fe16 Hg16 N96 Se64 -","16","","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Hao, Xiaoyun; Dou, Yong; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Unprecedented hetero-bimetallic three-dimensional spin crossover coordination polymer based on the tetrahedral [Hg(SeCN)4]2- building block","Chemical Communications","2019","","","","","10.1039/C9CC01291E","","","0.71073","MoKα","","0.0605","0.0483","","","0.1432","0.1526","","","","","","1.001","","","","has coordinates","214043","2020-10-21","18:00:00",""
"7123115","8.2195","0.0002","11.0955","0.0003","18.8126","0.0005","90","","90","","90","","1715.7","0.08","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6R,7R,8aR)-6-(Furan-3-ylmethyl)-10-(methoxymethyl)-7-(prop-1-en-2-yl)tetrahydro-1H-6,8a-(epiminomethano)indolizine-5,9(6H)-dione","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Dokli, Irena; Pohl, Radek; Klepetářová, Blanka; Jahn, Ullrich","First Total Synthesis of ent-Asperparaline C and Assignment of the Absolute Configuration of Asperparaline C","Chemical Communications","2019","","","","","10.1039/C9CC00945K","","x-ray","1.54178","CuKα","","0.0255","0.0247","","0.0291","0.0271","0.0271","","","","","","1.0732","","","","has coordinates","214050","2020-10-21","18:00:00",""
"7123116","12.166","0.0006","5.9496","0.0003","13.4868","0.0006","90","","97.132","0.002","90","","968.66","0.08","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C44 H36 Br2 N2 O6 -","2","1","","Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan","Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis","Chemical Communications","2019","","","","","10.1039/C8CC06500D","","","0.71073","MoKα","","0.0322","0.0286","","","0.0707","0.0725","","","","","","1.021","","","","has coordinates","214051","2020-10-21","18:00:00",""
"7123117","12.3124","0.0006","6.3961","0.0003","12.5551","0.0006","90","","90.017","0.003","90","","988.73","0.08","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C44 H36 Br2 N2 O6 -","2","1","","Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan","Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis","Chemical Communications","2019","","","","","10.1039/C8CC06500D","","","1.54178","CuKα","","0.0728","0.0602","","","0.145","0.1528","","","","","","1.149","","","","has coordinates","214051","2020-10-21","18:00:00",""
"7123118","11.0997","0.0008","11.2837","0.0008","22.4561","0.0016","95.057","0.004","95.843","0.004","90.981","0.004","2786.1","0.3","120","2","120","2","","","","","","","synthesized by the authors","5","P 1","P 1","1","","","","- C59 H46 Cl2 N12 O12 -","- C59 H46 Cl2 N12 O12 -","- C118 H92 Cl4 N24 O24 -","2","2","","Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan","Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis","Chemical Communications","2019","","","","","10.1039/C8CC06500D","","","1.54178","CuKα","","0.0969","0.0862","","","0.2326","0.2439","","","","","","1.028","","","","has coordinates","214051","2020-10-21","18:00:00",""
"7123119","7.3295","0.0001","15.2508","0.0002","20.5674","0.0002","90","","90","","90","","2299.04","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Huang, Hanmin; Wang, Wenhui","Palladium-Catalyzed Formal Insertion of Carbenoids into N,O-Aminals: Direct Access to α-Alkoxy-β-Amino Acid Esters","Chemical Communications","2019","","","","","10.1039/C9CC01374A","","","1.54184","CuKα","","0.0312","0.0299","","","0.0876","0.0893","","","","","","1.026","","","","has coordinates","214052","2020-10-21","18:00:00",""
"7123120","12.861","0.007","15.356","0.009","13.575","0.007","90","","107.411","0.015","90","","2558","2","283","2","283","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 I N2 O2 S -","- C29 H23 I N2 O2 S -","- C116 H92 I4 N8 O8 S4 -","4","1","","Cai, Jinxiong; Bai, Haijie; Wang, Yuan; Xu, Xianxiu; Xie, Haiming; Liu, Jun","Base-Mediated Regioselective [3+2] Annulation of Ketenimines and Isocyanides: Efficient Synthesis of 1,4,5-Trisubstituted lmidazoles","Chemical Communications","2019","","","","","10.1039/C9CC01257E","","","0.71073","MoKα","","0.0974","0.0652","","","0.164","0.2022","","","","","","1.111","","","","has coordinates","214053","2020-10-21","18:00:00",""
"7123121","11.1218","0.0009","15.1505","0.0011","20.4174","0.0014","84.577","0.002","84.097","0.002","73.547","0.002","3274.3","0.4","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","Ni59Cl","","- C21 H32 Cl2 F3 N5 Ni O -","- C23 H33 Cl F3 N5 Ni O3 -","- C92 H132 Cl4 F12 N20 Ni4 O12 -","4","2","","Pujales-Paradela, Rosa; Savić, Tanja; Brandariz, Isabel; Pérez-Lourido, Paulo; Angelovski, Goran; Esteban, David; Platas-Iglesias, Carlos","Reinforced Ni(II)-cyclam derivatives as dual 1H/19F MRI Probes","Chemical Communications","2019","","","","","10.1039/C9CC01204D","","","0.71073","MoKα","","0.0585","0.0544","","","0.1391","0.1415","","","","","","1.108","","","","has coordinates,has disorder","214072","2020-10-21","18:00:00",""
"7123122","11.0932","0.0007","12.2717","0.0008","15.5846","0.0009","71.548","0.002","88.206","0.002","72.064","0.002","1909.5","0.2","100","2","99.95","","","","","","","","","7","P -1","-P 1","2","","Ni58L","","- C33 H37 F15 N6 Ni O6 S -","- C33 H37 F15 N6 Ni O6 S -","- C66 H74 F30 N12 Ni2 O12 S2 -","2","1","","Pujales-Paradela, Rosa; Savić, Tanja; Brandariz, Isabel; Pérez-Lourido, Paulo; Angelovski, Goran; Esteban, David; Platas-Iglesias, Carlos","Reinforced Ni(II)-cyclam derivatives as dual 1H/19F MRI Probes","Chemical Communications","2019","","","","","10.1039/C9CC01204D","","","0.71073","MoKα","","0.0623","0.0422","","","0.089","0.0957","","","","","","1.038","","","","has coordinates","214072","2020-10-21","18:00:00",""
"7123123","13.168","0.003","13.267","0.003","20.346","0.004","90","","100.339","0.006","90","","3496.7","1.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Au B Cl F10 P Si -","- C35 H32 Au B Cl F10 P Si -","- C140 H128 Au4 B4 Cl4 F40 P4 Si4 -","4","1","","Ueno, Atsushi; Watanabe, Kohei; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Phosphane/Borane Lewis Pairs as Ligands in Gold(I) Chemistry","Chemical Communications","2019","","","","","10.1039/C9CC01136F","","","0.71073","MoKα","","0.1093","0.0768","","","0.1566","0.1694","","","","","","1.198","","","","has coordinates","214093","2020-10-21","18:00:00",""
"7123124","12.6704","0.0002","14.3614","0.0002","21.828","0.0003","90","","103.717","0.001","90","","3858.64","0.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Au B Cl F10 P Si -","- C35 H32 Au B Cl F10 P Si -","- C140 H128 Au4 B4 Cl4 F40 P4 Si4 -","4","1","","Ueno, Atsushi; Watanabe, Kohei; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Phosphane/Borane Lewis Pairs as Ligands in Gold(I) Chemistry","Chemical Communications","2019","","","","","10.1039/C9CC01136F","","","0.71073","MoKα","","0.0382","0.0335","","","0.0882","0.0914","","","","","","1.043","","","","has coordinates","214093","2020-10-21","18:00:00",""
"7123125","9.692","0.0002","13.394","0.0003","18.8313","0.0004","71.714","0.001","82.169","0.001","73.107","0.002","2218.24","0.09","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C37 H32 Au B F16 N O4 P S2 Si -","- C37 H32 Au B F16 N O4 P S2 Si -","- C74 H64 Au2 B2 F32 N2 O8 P2 S4 Si2 -","2","1","","Ueno, Atsushi; Watanabe, Kohei; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Phosphane/Borane Lewis Pairs as Ligands in Gold(I) Chemistry","Chemical Communications","2019","","","","","10.1039/C9CC01136F","","","0.71073","MoKα","","0.0498","0.0478","","","0.13","0.1317","","","","","","1.08","","","","has coordinates,has disorder","214093","2020-10-21","18:00:00",""
"7123126","39.0501","0.0018","10.3111","0.0005","23.3236","0.0009","90","","101.224","0.001","90","","9211.6","0.7","100","2","100","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Au B F16 N O4 P S2 Si -","- C37 H32 Au B F16 N O4 P S2 Si -","- C296 H256 Au8 B8 F128 N8 O32 P8 S16 Si8 -","8","1","","Ueno, Atsushi; Watanabe, Kohei; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, Gerhard","Unsaturated Vicinal Frustrated Phosphane/Borane Lewis Pairs as Ligands in Gold(I) Chemistry","Chemical Communications","2019","","","","","10.1039/C9CC01136F","","","0.71073","MoKα","","0.0335","0.0282","","","0.0538","0.0552","","","","","","1.171","","","","has coordinates,has disorder","214093","2020-10-21","18:00:00",""
"7123127","7.27","0.0001","11.1634","0.0001","14.1731","0.0001","90","","96.958","0.001","90","","1141.79","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","Simpkins, N. S.; Peczkowski, Gary R.; Craven, Philip; Stead, Darren","2,7-Diazabicyclo[2.2.1]heptanes: Novel Asymmetric Access and Controlled Bridge-Opening","Chemical Communications","2019","","","","","10.1039/C8CC10263E","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0576","0.0582","","","","","","1.03","","","","has coordinates,has disorder","214094","2020-10-21","18:00:00",""
"7123128","9.9803","0.0005","10.7055","0.0005","11.077","0.0007","76.953","0.005","64.44","0.006","72.474","0.004","1011.79","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Simpkins, N. S.; Peczkowski, Gary R.; Craven, Philip; Stead, Darren","2,7-Diazabicyclo[2.2.1]heptanes: Novel Asymmetric Access and Controlled Bridge-Opening","Chemical Communications","2019","","","","","10.1039/C8CC10263E","","x-ray","0.71073","MoKα","","0.0546","0.0451","","","0.0999","0.1063","","","","","","1.062","","","","has coordinates","214094","2020-10-21","18:00:00",""
"7123129","14.3352","0.0002","14.3352","0.0002","12.2455","0.0002","90","","90","","120","","2179.29","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","R 3 c","R 3 -2""c","161","","","","- C12 H27 N O3 S -","- C12 H27 N O3 S -","- C72 H162 N6 O18 S6 -","6","","","Gill, Daniel; Male, Louise; Jones, Alan Morenc","Sulfation made simple: A strategy for synthesising sulfated molecules","Chemical Communications","2019","","","","","10.1039/C9CC01057B","","x-ray","1.54184","CuKα","","0.021","0.0209","","","0.0569","0.057","","","","","","1.116","","","","has coordinates","214095","2020-10-21","18:00:00",""
"7123130","15.033","0.002","15.033","0.002","11.491","0.003","90","","90","","120","","2248.9","0.7","110","2","109.87","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C51 H33 O7 P V3 -","- C51 H33 O6.99996 P0.9996 V3 -","- C102 H66 O13.9999 P1.9992 V6 -","2","0.0833333","","Carroll, Timothy G.; Hunt, Camden; Garwick, Rachel; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","An untethered C3v-symmetric triarylphosphine oxide locked by intermolecular hydrogen bonding","Chemical Communications","2019","","","","","10.1039/C9CC01128E","","","0.71073","MoKα","","0.156","0.1347","","","0.2394","0.2494","","","","","","1.0511","","","","has coordinates,has disorder","214108","2020-10-21","18:00:00",""
"7123131","10.19","0.008","11.081","0.009","21.34","0.019","90","","97.09","0.06","90","","2391","3","100","","107.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 O3 P V -","- C29 H24 O3 P V -","- C116 H96 O12 P4 V4 -","4","1","","Carroll, Timothy G.; Hunt, Camden; Garwick, Rachel; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","An untethered C3v-symmetric triarylphosphine oxide locked by intermolecular hydrogen bonding","Chemical Communications","2019","","","","","10.1039/C9CC01128E","","","0.71073","MoKα","","0.1367","0.0639","","","0.1699","0.228","","","","","","0.8971","","","","has coordinates","214108","2020-10-21","18:00:00",""
"7123132","25.0426","0.0019","33.159","0.002","16.5246","0.0011","90","","115.089","0.004","90","","12427.2","1.5","100","2","100.12","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54 H24 B Cl2 F20 O3 P V -","- C54 H24 B Cl2 F20 O3 P V -","- C432 H192 B8 Cl16 F160 O24 P8 V8 -","8","1","","Carroll, Timothy G.; Hunt, Camden; Garwick, Rachel; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","An untethered C3v-symmetric triarylphosphine oxide locked by intermolecular hydrogen bonding","Chemical Communications","2019","","","","","10.1039/C9CC01128E","","","0.71073","MoKα","","0.0819","0.0467","","","0.1226","0.1358","","","","","","0.9862","","","","has coordinates","214108","2020-10-21","18:00:00",""
"7123133","9.8347","0.0003","10.2954","0.0003","12.0508","0.0004","90","","105.032","0.001","90","","1178.42","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H27 F N2 O2 S -","- C28 H27 F N2 O2 S -","- C56 H54 F2 N4 O4 S2 -","2","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","0.71073","MoKα","","0.0364","0.0321","","","0.083","0.0872","","","","","","1.047","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123134","8.5142","0.0005","11.8312","0.0008","13.0004","0.0008","90","","106.969","0.003","90","","1252.56","0.14","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl2 N2 O2 S -","- C28 H26 Cl2 N2 O2 S -","- C56 H52 Cl4 N4 O4 S2 -","2","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","1.34139","GaKα","","0.0911","0.0862","","","0.2346","0.2492","","","","","","1.113","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123135","9.7314","0.0004","11.3674","0.0005","29.2938","0.0012","90","","90","","90","","3240.5","0.2","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N3 O2 S -","- C38 H41 N3 O2 S -","- C152 H164 N12 O8 S4 -","4","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","1.34139","GaKα","","0.0552","0.0459","","","0.1111","0.1186","","","","","","1.066","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123136","6.424","0.0001","8.148","0.0002","11.8965","0.0003","108.357","0.001","103.555","0.001","93.668","0.001","568.1","0.02","170","2","170.01","","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O2 S2 -","- C26 H26 N2 O2 S2 -","- C26 H26 N2 O2 S2 -","1","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","1.34139","GaKα","","0.037","0.0369","","","0.1009","0.101","","","","","","1.026","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123137","9.8259","0.0006","12.3491","0.0008","13.819","0.0009","90","","90","","90","","1676.81","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Wu, Binjie; Yang, Zi; Zhang, Hong; Wang, Lianhui; Cui, Xiuling","Synthesis of polysubstituted 3-aminoindenes via rhodium-catalysed [3 + 2] cascade annulations of benzimidates with alkenes","Chemical Communications","2019","","","","","10.1039/C9CC00567F","","x-ray","1.54184","CuKα","","0.0477","0.0404","","","0.0944","0.1006","","","","","","1.043","","","","has coordinates","214110","2020-10-21","18:00:00",""
"7123138","11.341","0.004","9.571","0.003","11.845","0.004","90","","112.2","0.005","90","","1190.4","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dibenzo[b,e]phosphindolizine-P-oxide","","- C16 H11 O P -","- C16 H11 O P -","- C64 H44 O4 P4 -","4","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0432","0.0368","","","0.0898","0.0939","","","","","","1.065","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123139","7.0608","0.0004","12.8843","0.0008","27.9209","0.0018","90","","90","","90","","2540.1","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibenzo[b,e]phosphindolizine-P-selenide","","- C16 H11 P Se -","- C16 H11 P Se -","- C128 H88 P8 Se8 -","8","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0312","0.0283","","","0.0698","0.0714","","","","","","1.083","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123140","7.174","0.003","7.276","0.002","11.608","0.004","90","","106.916","0.005","90","","579.7","0.4","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","dibenzo[b,e]phosphindolizine","","- C16 H11 P -","- C16 H11 P -","- C32 H22 P2 -","2","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0363","0.0337","","","0.0854","0.0864","","","","","","1.062","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123141","7.099","0.002","12.75","0.004","27.638","0.009","90","","90","","90","","2501.6","1.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibenzo[b,e]phosphindolizine-P-sulfide","","- C16 H11 P S -","- C16 H11 P S -","- C128 H88 P8 S8 -","8","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0361","0.0347","","","0.0885","0.0899","","","","","","1.037","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123142","10.328","0.005","12.879","0.006","10.995","0.005","90","","96.809","0.007","90","","1452.2","1.2","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H45 N O3 S Si -","- C25 H45 N O3 S Si -","- C50 H90 N2 O6 S2 Si2 -","2","1","","Tang, Fan; Ma, Peng-Ju; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Divergent synthesis of polysubstituted cyclopropanes and β-silyoxy imidates via switchable additions of N-tert-butanesulfinylimidates to acylsilanes","Chemical Communications","2019","","","","","10.1039/C9CC00963A","","","0.71073","MoKα","","0.1393","0.0628","","","0.1318","0.1689","","","","","","0.968","","","","has coordinates,has disorder","214112","2020-10-21","18:00:00",""
"7123143","7.182","0.008","9.354","0.01","10.768","0.011","108.471","0.014","90.746","0.016","107.794","0.015","648.5","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H39 N O3 S Si -","- C22 H39 N O3 S Si -","- C22 H39 N O3 S Si -","1","1","","Tang, Fan; Ma, Peng-Ju; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Divergent synthesis of polysubstituted cyclopropanes and β-silyoxy imidates via switchable additions of N-tert-butanesulfinylimidates to acylsilanes","Chemical Communications","2019","","","","","10.1039/C9CC00963A","","","0.71073","MoKα","","0.1211","0.0703","","","0.1223","0.1432","","","","","","1.073","","","","has coordinates","214112","2020-10-21","18:00:00",""
"7123144","13.242","0.0005","6.4724","0.0003","14.3242","0.0005","90","","92.113","0.003","90","","1226.86","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H39 N O4 S Si -","- C21 H39 N O4 S Si -","- C42 H78 N2 O8 S2 Si2 -","2","1","","Tang, Fan; Ma, Peng-Ju; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Divergent synthesis of polysubstituted cyclopropanes and β-silyoxy imidates via switchable additions of N-tert-butanesulfinylimidates to acylsilanes","Chemical Communications","2019","","","","","10.1039/C9CC00963A","","x-ray","1.54184","CuKα","","0.0634","0.0625","","","0.1695","0.1701","","","","","","1.027","","","","has coordinates","214112","2020-10-21","18:00:00",""
"7123145","18.858","0.005","18.858","0.005","15.577","0.005","90","","90","","120","","4797","2","293","2","293","2","","","","","","","","8","P 6/m","-P 6","175","","","","- C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18 -","- C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18 -","- C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18 -","1","0.0833333","","Sun, Wenlong; He, Cheng; Liu, Tao; Duan, Chunying","Synergistic catalysis for light-driven proton reduction using a polyoxometalate-based Cu‒Ni heterometallic‒organic framework","Chemical Communications","2019","","","","","10.1039/C8CC09285K","","","0.71069","MoKα","","0.1023","0.0641","","","0.1606","0.1826","","","","","","0.988","","","","has coordinates,has disorder","214123","2020-10-21","18:00:00",""
"7123146","23.787","0.003","23.787","0.003","10.19","0.0018","90","","90","","120","","4993.3","1.3","293","2","293","2","","","","","","","","5","R 3","R 3","146","","","","- C24 H20 Br N O6 -","- C24 H20 Br N O6 -","- C216 H180 Br9 N9 O54 -","9","","","Zhu, Shi-Ya; Zhang, Yuanzheng; Chen, Xin-Fa; Huang, Jun; Shi, Shihui; Hui, Xin-Ping","Highly enantioselective synthesis of functionalized azepino[1,2-a]indoles via NHC-catalyzed [3+4] annulation","Chemical Communications","2019","","","","","10.1039/C9CC01444F","","","0.71073","MoKα","","0.1414","0.0635","","","0.1011","0.1415","","","","","","0.859","","","","has coordinates","214132","2020-10-21","18:00:00",""
"7123147","10.35275","0.00017","12.5835","0.0002","15.0399","0.0003","90","","90","","90","","1959.31","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br O4 -","- C22 H21 Br O4 -","- C88 H84 Br4 O16 -","4","1","","Zeng, Zhixiong; Zhao, Yifan; Zhang, Yandong","Divergent Total Syntheses of Five Illudalane Sesquiterpenes and Assignment of the Absolute Configuration","Chemical Communications","2019","","","","","10.1039/C9CC00933G","","x-ray","1.54184","CuKα","","0.0321","0.0313","","","0.0834","0.0848","","","","","","1.054","","","","has coordinates","214133","2020-10-21","18:00:00",""
"7123148","7.87143","0.00014","10.70505","0.00019","17.4437","0.0003","90","","104.401","0.001","90","","1423.69","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 B F4 N2 -","- C14 H15 B F4 N2 -","- C56 H60 B4 F16 N8 -","4","1","","Taniguchi, Atsuhiko; Sawazaki, Taka; Shimizu, Yusuke; Sohma, Youhei; Kanai, Motomu","Photophysical properties and application in live cell imaging of B,B-fluoro-perfluoroalkyl BODIPYs.","MedChemComm","2019","10","7","1121","1125","10.1039/c9md00011a","","","1.54187","CuKα","","0.054","0.0498","","","0.1218","0.1253","","","","","","0.992","","","","has coordinates","224646","2020-10-21","18:00:00",""
"7123149","9.5339","0.0018","9.3187","0.0018","22.031","0.004","90","","99.408","0.003","90","","1931","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 S -","- C22 H21 Cl N2 S -","- C88 H84 Cl4 N8 S4 -","4","1","","Wu, Yan-Chen; Jiang, Shuai-Shuai; Song, Ren-Jie; Li, Jin-Heng","Metal- and Oxidizing-Reagent-Free Anodic para-Selective Amination of Anilines with Phenothiazines","Chemical Communications","2019","","","","","10.1039/C9CC01332F","","","0.71073","MoKα","","0.1316","0.076","","","0.2104","0.2551","","","","","","1.031","","","","has coordinates","214172","2020-10-21","18:00:00",""
"7123150","8.7702","0.0004","14.3952","0.0009","16.7553","0.0006","100.353","0.004","99.43","0.003","99.857","0.004","2008.42","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N6 O3 Ru -","- C41 H50 Cl2 N6 O3 Ru -","- C82 H100 Cl4 N12 O6 Ru2 -","2","1","","Zhou, Xue-Quan; Busemann, Anja; Meijer, Michael S.; Siegler, Maxime A.; Bonnet, Sylvestre","The two isomers of a cyclometalated palladium sensitizer show distinct photodynamic properties in cancer cells","Chemical Communications","2019","","","","","10.1039/C8CC10134E","","","1.54178","CuKα","","0.053","0.0405","","","0.0973","0.1051","","","","","","1.028","","","","has coordinates,has disorder","214173","2020-10-21","18:00:00",""
"7123151","12.1102","0.0008","10.042","0.0005","22.5616","0.0011","90","","96.23","0.005","90","","2727.5","0.3","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C41 H25 N3 -","- C41 H25 N3 -","- C164 H100 N12 -","4","1","","Barman, Biswajit K.; Guru, Murali M.; Panda, Gaurav K.; Maji, Biplab; Vijayaraghavan, Ratheesh","Pyrene affixed triazoles: A new class of molecular semiconductors for robust, non-volatile resistive memory devices","Chemical Communications","2019","","","","","10.1039/C8CC10185J","","x-ray","0.71073","MoKα","","0.0623","0.0528","","","0.134","0.1425","","","","","","1.083","","","","has coordinates","214174","2020-10-21","18:00:00",""
"7123152","14.8246","0.0012","8.6734","0.0006","18.6689","0.0015","90","","103.835","0.003","90","","2330.8","0.3","171","2","171","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 S -","- C24 H27 N O6 S -","- C96 H108 N4 O24 S4 -","4","2","","Liu, Wen; Zhou, Pengfei; Lang, Jiawen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric intramolecular Alder-ene reaction of 1,7-dienes","Chemical Communications","2019","","","","","10.1039/C9CC01521C","","","0.71073","MoKα","","0.0419","0.0337","","","0.088","0.0978","","","","","","1.056","","","","has coordinates","214195","2020-10-21","18:00:00",""
"7123153","16.209","0.003","7.888","0.0016","21.5","0.004","90","","98.26","0.03","90","","2720.4","0.9","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Fe O2 P -","- C34 H33 Fe O2 P -","- C136 H132 Fe4 O8 P4 -","4","1","","Deck, Eva; Wagner, Hanna E.; Paradies, Jan; Breher, Frank","Redox-Responsive Phosphonite Gold Complexes in Hydroamination Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC01492F","","","0.71073","MoKα","","0.0873","0.0522","","","0.1299","0.1644","","","","","","1.048","","","","has coordinates","214226","2020-10-21","18:00:00",""
"7123154","13.374","0.003","12.972","0.003","18.223","0.004","90","","91.65","0.03","90","","3160.2","1.2","200","2","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","ED202","","- C14 H17 Au Cl Fe O2 P -","- C14 H17 Au Cl Fe O2 P -","- C112 H136 Au8 Cl8 Fe8 O16 P8 -","8","2","","Deck, Eva; Wagner, Hanna E.; Paradies, Jan; Breher, Frank","Redox-Responsive Phosphonite Gold Complexes in Hydroamination Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC01492F","","","0.71073","MoKα","","0.038","0.0315","","","0.0708","0.0768","","","","","","1.141","","","","has coordinates","214226","2020-10-21","18:00:00",""
"7123155","8.009","0.0016","25.366","0.005","14.803","0.003","90","","102.49","0.03","90","","2936.2","1.1","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Au Cl Fe O2 P -","- C34 H33 Au Cl Fe O2 P -","- C136 H132 Au4 Cl4 Fe4 O8 P4 -","4","1","","Deck, Eva; Wagner, Hanna E.; Paradies, Jan; Breher, Frank","Redox-Responsive Phosphonite Gold Complexes in Hydroamination Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC01492F","","","0.71073","MoKα","","0.0336","0.0285","","","0.0694","0.0769","","","","","","1.087","","","","has coordinates","214226","2020-10-21","18:00:00",""
"7123156","7.336","0.0015","9.053","0.0018","14.901","0.003","98.89","0.03","95.82","0.03","106.42","0.03","926.8","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H13 Au Cl Fe O2 P -","- C16 H13 Au Cl Fe O2 P -","- C32 H26 Au2 Cl2 Fe2 O4 P2 -","2","1","","Deck, Eva; Wagner, Hanna E.; Paradies, Jan; Breher, Frank","Redox-Responsive Phosphonite Gold Complexes in Hydroamination Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC01492F","","","0.71073","MoKα","","0.0275","0.025","","","0.0625","0.0658","","","","","","1.044","","","","has coordinates","214226","2020-10-21","18:00:00",""
"7123157","9.078","0.0018","10.334","0.002","14.468","0.003","82.74","0.03","89.87","0.03","82","0.03","1333.1","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Fe O2 P -","- C14 H17 Fe O2 P -","- C56 H68 Fe4 O8 P4 -","4","2","","Deck, Eva; Wagner, Hanna E.; Paradies, Jan; Breher, Frank","Redox-Responsive Phosphonite Gold Complexes in Hydroamination Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC01492F","","","0.71073","MoKα","","0.0573","0.0433","","","0.1144","0.1244","","","","","","1.075","","","","has coordinates","214226","2020-10-21","18:00:00",""
"7123158","35.167","0.003","9.999","0.002","22.554","0.003","90","","105.62","0.02","90","","7638","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 N2 Si -","- C42 H68 N2 Si -","- C336 H544 N16 Si8 -","8","1","","Roesky, Herbert W.; Sinhababu, Soumen; Kundu, Subrata; Siddiqui, Mujahuddin M.; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Saha, Pinaki; Zhao, Lili; Schwederski, Brigitte; Kaim, Wolfgang","Cyclic Alkyl(amino) Carbene Stabilized Biradical of Dimethylsilicon and Dimethylsiliconchloride Radical: Synthesized from Me2SiCl2 - an Important Feedstock Material","Chemical Communications","2019","","","","","10.1039/C9CC01448A","","","0.71073","MoKα","","0.0393","0.0337","","","0.0823","0.0863","","","","","","1.039","","","","has coordinates","214227","2020-10-21","18:00:00",""
"7123159","16.345","0.002","16.183","0.002","17.291","0.003","90","","90","","90","","4573.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H37 Cl N Si -","- C22 H37 Cl N Si -","- C176 H296 Cl8 N8 Si8 -","8","1","","Roesky, Herbert W.; Sinhababu, Soumen; Kundu, Subrata; Siddiqui, Mujahuddin M.; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Saha, Pinaki; Zhao, Lili; Schwederski, Brigitte; Kaim, Wolfgang","Cyclic Alkyl(amino) Carbene Stabilized Biradical of Dimethylsilicon and Dimethylsiliconchloride Radical: Synthesized from Me2SiCl2 - an Important Feedstock Material","Chemical Communications","2019","","","","","10.1039/C9CC01448A","","","0.71073","MoKα","","0.0342","0.0281","","","0.0744","0.0791","","","","","","1.027","","","","has coordinates","214227","2020-10-21","18:00:00",""
"7123160","21.15","0.003","17.374","0.002","26.768","0.003","90","","90","","90","","9836","2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H82 Cu8 N38 Na4 O22 -","- C76 H82 Cu8 N38 Na4 O22 -","- C304 H328 Cu32 N152 Na16 O88 -","4","0.5","","Li, Quan-Quan; He, peng-xiu; Zhang, Jin; Zhang, Jidong; Xin, Yu Meng; Liu, Ping; Wang, Yao-Yu; Li, Jianli","Substituent changes in salen of CuIINaI-complexes to induce the various structure and catalytic activity towards 2-imidazolines from nitriles and 1,2-diaminopropane","Chemical Communications","2019","","","","","10.1039/C9CC00879A","","","0.71073","MoKα","","0.1151","0.0487","","","0.1012","0.1235","","","","","","1.003","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7123161","9.3751","0.0018","12.984","0.003","13.416","0.003","103.511","0.003","93.74","0.004","105.433","0.003","1516.4","0.6","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H54 Cu5 N22 Na2 O15 -","- C43 H54 Cu5 N22 Na2 O15 -","- C43 H54 Cu5 N22 Na2 O15 -","1","0.5","","Li, Quan-Quan; He, peng-xiu; Zhang, Jin; Zhang, Jidong; Xin, Yu Meng; Liu, Ping; Wang, Yao-Yu; Li, Jianli","Substituent changes in salen of CuIINaI-complexes to induce the various structure and catalytic activity towards 2-imidazolines from nitriles and 1,2-diaminopropane","Chemical Communications","2019","","","","","10.1039/C9CC00879A","","","0.71073","MoKα","","0.1024","0.0586","","","0.1553","0.1843","","","","","","1.001","","","","has coordinates,has disorder","214228","2020-10-21","18:00:00",""
"7123162","9.414","0.003","13.08","0.004","14.135","0.005","103.568","0.005","95.201","0.006","107.346","0.006","1590.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cu5 N22 Na2 O14 -","- C50 H62 Cu5 N22 Na2 O14 -","- C50 H62 Cu5 N22 Na2 O14 -","1","0.5","","Li, Quan-Quan; He, peng-xiu; Zhang, Jin; Zhang, Jidong; Xin, Yu Meng; Liu, Ping; Wang, Yao-Yu; Li, Jianli","Substituent changes in salen of CuIINaI-complexes to induce the various structure and catalytic activity towards 2-imidazolines from nitriles and 1,2-diaminopropane","Chemical Communications","2019","","","","","10.1039/C9CC00879A","","","0.71073","MoKα","","0.177","0.0757","","","0.1442","0.1783","","","","","","1.021","","","","has coordinates,has disorder","214228","2020-10-21","18:00:00",""
"7123163","15.2253","0.0017","23.007","0.002","29.976","0.003","111.942","0.006","90.443","0.007","98.293","0.007","9616","1.7","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H210 N7 Na12 Ni14 O134 P14 Si W9 -","- C28 H63 N7 Na5 Ni14 O118 P14 Si W9 -","- C56 H126 N14 Na10 Ni28 O236 P28 Si2 W18 -","2","1","","Paille, Grégoire; Boulmier, Amandine; Bensaid, Alexandre; Ha-Thi, Minh-Huong; Tran, Thu-Trang; Pino, Thomas; Marrot, Jérôme; Rivière, Eric; Hendon, Christopher H.; Oms, Olivier; Gomez-Mingot, Maria; Fontecave, Marc; Mellot-Draznieks, Caroline; Dolbecq, Anne; Mialane, Pierre","An unprecedented {Ni14SiW9} hybrid polyoxometalate with high photocatalytic hydrogen evolution activity","Chemical Communications","2019","","","","","10.1039/C9CC01269A","","","0.71073","MoKα","","0.1308","0.0987","","","0.2466","0.2782","","","","","","1.03","","","","has coordinates","214229","2020-10-21","18:00:00",""
"7123164","8.6476","0.0004","18.6071","0.0008","12.6906","0.0008","90","","105.254","0.0018","90","","1970.06","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 F N O3 S -","- C24 H16 F N O3 S -","- C96 H64 F4 N4 O12 S4 -","4","1","","Kaladevi, Selvam; M., Kamalraj; Altia, Minakshi; Rajasekar, Shanmugam; Anbarasan, Pazhamalai","Cascade Rh(II) and Yb(III) Catalyzed Synthesis of Substituted Naphthofurans via Transannulation of N-Sulfonyl-1,2,3-triazoles with β-naphthols","Chemical Communications","2019","","","","","10.1039/C8CC10306B","","x-ray","0.71073","MoKα","","0.0598","0.0424","","","0.101","0.1156","","","","","","1.042","","","","has coordinates","214230","2020-10-21","18:00:00",""
"7123165","19.0268","0.0007","7.3586","0.0003","8.0423","0.0003","90","","90","","90","","1126.01","0.07","103","2","103","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H8 I2 O2 S -","- C8 H8 I2 O2 S -","- C32 H32 I8 O8 S4 -","4","1","","Dichiarante, Valentina; Kaiho, Tatsuo; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Diiodomethyl-sulfonyl moiety: An unexplored halogen bond-donor motif","Chemical Communications","2019","","","","","10.1039/C9CC01092K","","","0.71073","MoKα","","0.0145","0.0139","","","0.0286","0.0287","","","","","","1.191","","","","has coordinates","214231","2020-10-21","18:00:00",""
"7123166","11.1342","0.0006","17.3124","0.001","19.0131","0.0011","114.136","0.002","90.987","0.002","97.782","0.002","3303.1","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 I4 N2 O4 S2 -","- C28 H26 I4 N2 O4 S2 -","- C112 H104 I16 N8 O16 S8 -","4","2","","Dichiarante, Valentina; Kaiho, Tatsuo; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Diiodomethyl-sulfonyl moiety: An unexplored halogen bond-donor motif","Chemical Communications","2019","","","","","10.1039/C9CC01092K","","","0.71073","MoKα","","0.0373","0.0308","","","0.0611","0.0628","","","","","","1.099","","","","has coordinates","214231","2020-10-21","18:00:00",""
"7123167","8.6591","0.0008","9.7178","0.0008","13.0375","0.0015","93.59","0.005","96.031","0.005","114.648","0.005","984.7","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 I2 N2 O2 S -","- C18 H16 I2 N2 O2 S -","- C36 H32 I4 N4 O4 S2 -","2","1","","Dichiarante, Valentina; Kaiho, Tatsuo; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Diiodomethyl-sulfonyl moiety: An unexplored halogen bond-donor motif","Chemical Communications","2019","","","","","10.1039/C9CC01092K","","","0.71073","MoKα","","0.0502","0.0322","","","0.06","0.0651","","","","","","1.016","","","","has coordinates","214231","2020-10-21","18:00:00",""
"7123168","16.4024","0.0009","5.6825","0.0004","19.6574","0.0011","90","","113.993","0.002","90","","1673.89","0.18","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 I4 N2 O4 S2 -","- C28 H28 I4 N2 O4 S2 -","- C56 H56 I8 N4 O8 S4 -","2","0.5","","Dichiarante, Valentina; Kaiho, Tatsuo; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Diiodomethyl-sulfonyl moiety: An unexplored halogen bond-donor motif","Chemical Communications","2019","","","","","10.1039/C9CC01092K","","","0.71073","MoKα","","0.0637","0.0429","","","0.076","0.082","","","","","","1.049","","","","has coordinates","214231","2020-10-21","18:00:00",""
"7123169","11.4895","0.0009","22.1743","0.0014","10.4696","0.0006","90","","105.076","0.002","90","","2575.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F N O2 -","- C31 H36 F N O2 -","- C124 H144 F4 N4 O8 -","4","1","","Yu, Jian; Sheng, Hui-Xiang; Wang, Shuo-Wen; Xu, Zhen-Hua; Tang, Shi; Chen, Shi-Lu","Copper-catalyzed radical cascades of para-quinone methides with AIBN and H2O via α-cyanoalkylation by C‒C bond cleavage: New access to benzofuran-2(3H)-ones","Chemical Communications","2019","","","","","10.1039/C9CC00294D","","","0.71073","MoKα","","0.15","0.0627","","","0.1081","0.1326","","","","","","0.999","","","","has coordinates","214274","2020-10-21","18:00:00",""
"7123170","12.3455","0.0008","10.3283","0.0007","16.3127","0.001","90","","95.923","0.002","90","","2068.9","0.2","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Yu, Jian; Sheng, Hui-Xiang; Wang, Shuo-Wen; Xu, Zhen-Hua; Tang, Shi; Chen, Shi-Lu","Copper-catalyzed radical cascades of para-quinone methides with AIBN and H2O via α-cyanoalkylation by C‒C bond cleavage: New access to benzofuran-2(3H)-ones","Chemical Communications","2019","","","","","10.1039/C9CC00294D","","","0.71073","MoKα","","0.075","0.0516","","","0.1184","0.1286","","","","","","1.05","","","","has coordinates","214274","2020-10-21","18:00:00",""
"7123171","17.3175","0.0005","8.5617","0.0003","18.9646","0.0006","90","","90","","90","","2811.83","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C72 H48 Cl24 Cu24 N48 -","8","1","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.0628","0.0526","","","0.1459","0.1511","","","","","","1.059","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123172","17.5436","0.0011","8.6121","0.0006","19.0546","0.001","90","","90","","90","","2878.9","0.3","300","1","300","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C72 H48 Cl24 Cu24 N48 -","8","1","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.0777","0.0546","","","0.1442","0.1583","","","","","","1.063","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123173","16.3157","0.0004","11.6083","0.0003","7.697","0.0002","90","","90","","90","","1457.79","0.06","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C36 H24 Cl12 Cu12 N24 -","4","0.5","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.0787","0.0538","","","0.1316","0.1428","","","","","","1.022","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123174","16.3471","0.0015","11.639","0.0011","7.8446","0.0015","90","","90","","90","","1492.5","0.3","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C36 H24 Cl12 Cu12 N24 -","4","0.5","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.1257","0.0809","","","0.2536","0.356","","","","","","1.277","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123175","12.5317","0.0009","15.7091","0.0012","18.2229","0.0015","81.626","0.002","80.866","0.002","75.6","0.002","3409.4","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C125 H140 Br20 I2 N2 O20 -","- C125 H140 Br20 I2 N2 O20 -","- C125 H140 Br20 I2 N2 O20 -","1","0.5","","Shao, Li; Hua, Bin; Liu, Jiyong; Huang, Feihe","Construction of [2]pseudorotaxane and [3]pseudorotaxane based on perbromoethylated pillar[5]arene/pyridinium iodide ion-pair recognition","Chemical Communications","2019","","","","","10.1039/C9CC01984G","","","0.71073","MoKα","","0.0894","0.0703","","","0.2075","0.2208","","","","","","1.089","","","","has coordinates,has disorder","214276","2020-10-21","18:00:00",""
"7123176","12.9329","0.0004","25.2167","0.0008","21.2593","0.0007","90","","96.527","0.002","90","","6888.3","0.4","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Br10 I N O10 -","- C62 H70 Br10 I N O10 -","- C248 H280 Br40 I4 N4 O40 -","4","1","","Shao, Li; Hua, Bin; Liu, Jiyong; Huang, Feihe","Construction of [2]pseudorotaxane and [3]pseudorotaxane based on perbromoethylated pillar[5]arene/pyridinium iodide ion-pair recognition","Chemical Communications","2019","","","","","10.1039/C9CC01984G","","","0.71073","MoKα","","0.1641","0.0892","","","0.2083","0.2511","","","","","","1.025","","","","has coordinates,has disorder","214276","2020-10-21","18:00:00",""
"7123177","13.101","0.0017","17.775","0.002","21.174","0.003","90","","93.628","0.005","90","","4920.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Co5POM","Na10[WCo3(H2O)2(CoW9O34)2]","","- Co4.88 Na18 O108 W19.12 -","- Co4.886 Na18 O108 W19.114 -","- Co9.772 Na36 O216 W38.228 -","2","0.5","","Thakur, Neha; Kumar, Mukesh; D. Adhikary, Subhasis; Mandal, Debaprasad; Nagaiah, Tharamani Chikka","PVIM-Co5POM/MNC Composite as Flexible Electrode for Ultrasensitive and Highly Selective non-Enzymatic Electrochemical Detection of Cholesterol","Chemical Communications","2019","","","","","10.1039/C9CC01534E","","","0.71073","MoKα","","0.0505","0.0384","","","0.0743","0.078","","","","","","1.152","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7123178","10.0539","0.0009","10.6527","0.001","14.9435","0.0014","90","","90","","90","","1600.5","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NDS-301","1-(3-fluorobenzyl)-2-isopropyl-1H-benzo[d]imidazole-5-carboxylic acid","","- C18 H17 F N2 O2 -","- C18 H17 F N2 O2 -","- C72 H68 F4 N8 O8 -","4","1","","Sitwala, Nikum D.; Vyas, Vivek K.; Gedia, Piyush; Patel, Kinjal; Bouzeyen, Rania; Kidwai, Saqib; Singh, Ramandeep; Ghate, Manjunath D.","3D QSAR-based design and liquid phase combinatorial synthesis of 1,2-disubstituted benzimidazole-5-carboxylic acid and 3-substituted-5<i>H</i>-benzimidazo[1,2-<i>d</i>][1,4]benzodiazepin-6(7<i>H</i>)-one derivatives as anti-mycobacterial agents.","MedChemComm","2019","10","5","817","827","10.1039/c9md00006b","","","0.71075","MoKα","","","0.0453","","","","0.1269","","","","","","1.06","","","","has coordinates","224644","2020-10-21","18:00:00",""
"7123179","16.079","0.002","13.5974","0.0016","11.5541","0.001","90","","90.546","0.011","90","","2526","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N3 -","- C32 H31 N3 -","- C128 H124 N12 -","4","1","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","1.54184","CuKα","","0.1422","0.0933","","","0.2415","0.2844","","","","","","0.961","","","","has coordinates","214303","2020-10-21","18:00:00",""
"7123180","37.989","0.006","10.6638","0.0015","12.835","0.002","90","","96.415","0.016","90","","5167","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C63.99 H65.97 N6 -","- C64 H66 N6 -","- C256 H264 N24 -","4","0.5","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","0.71073","MoKα","","0.2431","0.0947","","","0.1784","0.2383","","","","","","0.885","","","","has coordinates,has disorder","214303","2020-10-21","18:00:00",""
"7123181","10.9413","0.0002","16.5587","0.0003","31.2883","0.0008","90","","98.645","0.002","90","","5604.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 Cl4 N6 -","- C66 H69.572 Cl4 N6 -","- C264 H278.288 Cl16 N24 -","4","1","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","0.71073","MoKα","","0.1033","0.0691","","","0.179","0.2091","","","","","","1.015","","","","has coordinates,has disorder","214303","2020-10-21","18:00:00",""
"7123182","18.4682","0.0013","5.7331","0.0002","26.1392","0.0018","90","","108.033","0.008","90","","2631.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C136 H132 N4 O8 -","4","1","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","0.71073","MoKα","","0.1462","0.0706","","","0.1085","0.1351","","","","","","1.022","","","","has coordinates","214303","2020-10-21","18:00:00",""
"7123183","9.479","0.0004","11.2211","0.0004","12.2882","0.0005","83.194","0.003","81.408","0.003","88.438","0.003","1283.2","0.09","94.97","0.12","94.97","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C32 H31 N3 O2 -","- C32 H31 N3 O2 -","- C64 H62 N6 O4 -","2","1","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","0.71073","MoKα","","0.0654","0.0475","","","0.1104","0.1197","","","","","","1.018","","","","has coordinates","214303","2020-10-21","18:00:00",""
"7123184","38.165","0.005","10.577","0.0013","12.7648","0.0012","90","","96.33","0.009","90","","5121.4","1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H62 N6 -","- C64 H62 N6 -","- C256 H248 N24 -","4","0.5","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","1.54184","CuKα","","0.1329","0.0892","","","0.2327","0.2674","","","","","","1.003","","","","has coordinates,has disorder","214303","2020-10-21","18:00:00",""
"7123185","13.4459","0.0009","22.2811","0.0011","23.3879","0.0009","78.605","0.004","88.459","0.004","72.655","0.005","6552.5","0.6","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C64.5 H62.78 Cl1.5 N6 -","- C64.5 H62.774 Cl1.5 N6 -","- C258 H251.096 Cl6 N24 -","4","2","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","0.71073","MoKα","","0.2309","0.0992","","","0.2262","0.2788","","","","","","0.867","","","","has coordinates,has disorder","214303","2020-10-21","18:00:00",""
"7123186","38.1618","0.0013","10.601","0.0004","12.8755","0.0005","90","","96.379","0.003","90","","5176.6","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 N6 -","- C64 H64 N6 -","- C256 H256 N24 -","4","0.5","","Klajn, Jan; Stawski, Wojciech; Chmielewski, Piotr Jan; Cybińska, Joanna; Pawlicki, Miłosz","A Route to a Cyclobutane-Linked Double-Looped System via a Helical Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC01201J","","","0.71073","MoKα","","0.123","0.0982","","","0.2786","0.2924","","","","","","1.042","","","","has coordinates,has disorder","214303","2020-10-21","18:00:00",""
"7123187","48.151","0.012","9.652","0.002","32.614","0.008","90","","122.942","0.004","90","","12720","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58.5 H64.08 Eu N6.5 O11.29 S6 -","- C58.5 H64.082 Eu N6.5 O11.291 S6 -","- C468 H512.656 Eu8 N52 O90.328 S48 -","8","1","","He, Yonghe; Huang, Mengjiao; Deng, Xiangling; Sheng Xian, CHENG; Wong, Yan-Lung; Hou, Yunlong; Zeller, Matthias; He, Jun; Xu, Zhengtao","Janus Triple Tripods Build up a Microporous Manifold for HgCl2 and I2 Uptake","Chemical Communications","2019","","","","","10.1039/C9CC00330D","","","0.71073","MoKα","","0.0651","0.0408","","","0.0855","0.0968","","","","","","1.009","","","","has coordinates,has disorder","214304","2020-10-21","18:00:00",""
"7123188","47.818","0.003","9.5341","0.0006","32.3065","0.0017","90","","122.338","0.003","90","","12444.3","1.3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55.22 H59.63 Cl0.88 Eu Hg0.44 N3 O10.61 S6 -","- C55.22 H59.6288 Cl0.8786 Eu Hg0.4393 N3 O10.61 S6 -","- C441.76 H477.03 Cl7.0288 Eu8 Hg3.5144 N24 O84.88 S48 -","8","1","","He, Yonghe; Huang, Mengjiao; Deng, Xiangling; Sheng Xian, CHENG; Wong, Yan-Lung; Hou, Yunlong; Zeller, Matthias; He, Jun; Xu, Zhengtao","Janus Triple Tripods Build up a Microporous Manifold for HgCl2 and I2 Uptake","Chemical Communications","2019","","","","","10.1039/C9CC00330D","","","1.54178","CuKα","","0.0424","0.0417","","","0.1163","0.1169","","","","","","1.041","","","","has coordinates,has disorder","214304","2020-10-21","18:00:00",""
"7123189","7.4217","0.0015","11.0439","0.0017","12.509","0.002","102.076","0.015","98.045","0.016","106.355","0.016","940.2","0.3","295.08","0.1","295.08","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O -","- C24 H24 O -","- C48 H48 O2 -","2","1","","Xia, Yu; Bao, Qiao-Fei; Li, Yuke; Wang, Lijing; Zhang, Bo-Sheng; Liu, Hong-Chao; Liang, Yong-Min","Ligand-Controlled Regiodivergent π-Allyl Palladium Catalysis Enables a Switch between [3+2] and [3+3] Cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC00611G","","","0.71073","MoKα","","0.1686","0.0736","","","0.1374","0.1909","","","","","","1.029","","","","has coordinates","214305","2020-10-21","18:00:00",""
"7123190","8.7455","0.0006","9.5862","0.0009","9.8123","0.001","63.15","0.01","73.885","0.007","82.681","0.007","705.1","0.13","120","0.14","120","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C20 H15 O -","- C20 H16 O -","- C40 H32 O2 -","2","1","","Xia, Yu; Bao, Qiao-Fei; Li, Yuke; Wang, Lijing; Zhang, Bo-Sheng; Liu, Hong-Chao; Liang, Yong-Min","Ligand-Controlled Regiodivergent π-Allyl Palladium Catalysis Enables a Switch between [3+2] and [3+3] Cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC00611G","","x-ray","1.54184","CuKα","","0.0548","0.0515","","","0.145","0.1495","","","","","","1.048","","","","has coordinates","214305","2020-10-21","18:00:00",""
"7123191","20.5655","0.001","6.087","0.0003","27.2088","0.0014","90","","98.487","0.005","90","","3368.8","0.3","293.36","0.1","293.36","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O -","- C24 H18 O -","- C192 H144 O8 -","8","1","","Xia, Yu; Bao, Qiao-Fei; Li, Yuke; Wang, Lijing; Zhang, Bo-Sheng; Liu, Hong-Chao; Liang, Yong-Min","Ligand-Controlled Regiodivergent π-Allyl Palladium Catalysis Enables a Switch between [3+2] and [3+3] Cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC00611G","","","0.71073","MoKα","","0.0909","0.0549","","","0.1128","0.1401","","","","","","1.075","","","","has coordinates","214305","2020-10-21","18:00:00",""
"7123192","9.5089","0.0003","9.5089","0.0003","14.673","0.0004","90","","90","","120","","1148.97","0.06","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 Cl O25 Y8 -","- C3 H15 Cl O25 Y8 -","- C6 H30 Cl2 O50 Y16 -","2","0.333333","","Zhang, Yiting; Long, Ying; Dong, Xuehua; Wang, Lei; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Wang, Xin; Zou, Guohong","Y8O(OH)15(CO3)3Cl: An Excellent Short-Wave UV Nonlinear Optical Material Exhibiting Infrequent Three-Dimensional Inorganic Cationic Framework","Chemical Communications","2019","","","","","10.1039/C9CC00581A","","","0.71073","MoKα","","0.0886","0.0524","","","0.1056","0.1185","","","","","","1.039","","","","has coordinates","214314","2020-10-21","18:00:00",""
"7123193","11.016","0.0015","14.0375","0.0017","17.06","0.002","90","","103.149","0.006","90","","2568.9","0.6","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Cl5 Ir N4 O2 -","- C21 H28 Cl5 Ir N4 O2 -","- C84 H112 Cl20 Ir4 N16 O8 -","4","1","","Maji, Babulal; Choudhury, Joyanta","Switchable hydrogenation with betaine‒derived bifunctional Ir‒NHC catalyst","Chemical Communications","2019","","","","","10.1039/C9CC00972H","","","0.71073","MoKα","","0.0726","0.0417","","","0.0751","0.0862","","","","","","1.031","","","","has coordinates,has disorder","214315","2020-10-21","18:00:00",""
"7123194","7.8706","0.0016","21.886","0.005","11.121","0.003","90","","97.56","0.019","90","","1899","0.8","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Deng, Xinyuan; Guo, Hongwei; Meng, Xiao; Wang, Kai; Zou, Bo; Ma, Yuguo","Visible responses under high pressure: phenolphthalein crystals and its analogues with adjustable ring-opening threshold pressures","Chemical Communications","2019","","","","","10.1039/C9CC01145E","","","0.71073","MoKα","","0.1161","0.0806","","","0.1949","0.2352","","","","","","1.046","","","","has coordinates","287896","2023-11-30","16:33:03",""
"7123195","8.4905","0.0006","17.1536","0.0011","10.3607","0.0006","90","","100.649","0.006","90","","1482.97","0.17","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Deng, Xinyuan; Guo, Hongwei; Meng, Xiao; Wang, Kai; Zou, Bo; Ma, Yuguo","Visible responses under high pressure: phenolphthalein crystals and its analogues with adjustable ring-opening threshold pressures","Chemical Communications","2019","","","","","10.1039/C9CC01145E","","","0.71073","MoKα","","0.0739","0.0462","","","0.0979","0.1155","","","","","","1.039","","","","has coordinates","214316","2020-10-21","18:00:00",""
"7123196","8.3791","0.0014","19.941","0.003","16.727","0.003","90","","93.294","0.002","90","","2790.3","0.8","173.15","","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.1027","0.0848","","","0.1609","0.1697","","","","","","1.153","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123197","24.78","0.007","9.939","0.002","19.014","0.005","90","","115.965","0.003","90","","4210.2","1.8","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 N2 O2 -","- C58 H48 N2 O2 -","- C232 H192 N8 O8 -","4","0.5","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.0639","0.0594","","","0.1328","0.1358","","","","","","1.131","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123198","19.2726","0.0009","16.7645","0.0009","8.6005","0.0003","90","","94.329","0.003","90","","2770.9","0.2","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 F6 O2 -","- C36 H28 F6 O2 -","- C144 H112 F24 O8 -","4","0.5","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.0535","0.0455","","","0.1107","0.1158","","","","","","1.055","","","","has coordinates,has disorder","214318","2020-10-21","18:00:00",""
"7123199","9.654","0.0003","9.8517","0.0003","14.1628","0.0004","73.127","0.003","81.424","0.002","79.786","0.002","1261.75","0.07","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 O2 -","- C36 H34 O2 -","- C72 H68 O4 -","2","1","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.0526","0.0452","","","0.1172","0.1241","","","","","","1.048","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123200","9.993","0.002","10.659","0.002","12.618","0.003","77.48","0.03","84.57","0.03","70.54","0.03","1236.7","0.5","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 F2 O2 -","- C34 H28 F2 O2 -","- C68 H56 F4 O4 -","2","1","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.044","0.0424","","","0.1108","0.1121","","","","","","1.074","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123201","9.615","0.002","9.899","0.002","14.184","0.003","73.061","0.008","81.149","0.01","79.776","0.009","1263.4","0.5","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 Cl2 O2 -","- C34 H28 Cl2 O2 -","- C68 H56 Cl4 O4 -","2","1","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.0539","0.0518","","","0.1338","0.1357","","","","","","1.086","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123202","19.288","0.004","18.96","0.004","14.565","0.003","90","","90","","90","","5326.4","1.9","173","2","173.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H26 O2 S2 -","- C30 H26 O2 S2 -","- C240 H208 O16 S16 -","8","1","","Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Metal-free construction of contiguous quaternary stereocentres with polycyclic framework","Chemical Communications","2019","","","","","10.1039/C9CC01632E","","","0.71073","MoKα","","0.0518","0.0511","","","0.1134","0.1137","","","","","","1.138","","","","has coordinates","214318","2020-10-21","18:00:00",""
"7123203","10.099","0.002","10.253","0.002","11.362","0.002","77.012","0.004","67.262","0.004","83.234","0.004","1056.7","0.3","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H20 Cl F2 O3 P S -","- C19 H20 Cl F2 O3 P S -","- C38 H40 Cl2 F4 O6 P2 S2 -","2","1","","Wang, Jianjun; Xiong, Heng-Ying; Petit, Emilie; Bailly, Laetitia; Pannecoucke, Xavier; Poisson, Thomas; Besset , Tatiana","BiCl3-Mediated Direct Functionalization of Unsaturated C‒C Bonds with an Electrophilic SCF2PO(OEt)2 Reagent","Chemical Communications","2019","","","","","10.1039/C9CC01851D","","x-ray","0.71073","MoKα","","0.1072","0.0656","","","0.1754","0.207","","","","","","1.02","","","","has coordinates","214319","2020-10-21","18:00:00",""
"7123204","8.6003","0.0002","18.6486","0.0005","34.7689","0.0009","90","","96.711","0.001","90","","5538.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H41 N6 Ni1.5 O10.5 -","- C57 H41 N6 Ni1.5 O10.5 -","- C228 H164 N24 Ni6 O42 -","4","1","","Mandal, Sukhendu; M, Prabu; Bandyopadhyay, Arkamita; Mukherjee, Prashanta; Nath, Ramesh Chandra; Pati, Swapan","Long-Range Ferromagnetism in Nickel Based Hybrid Structure with Semiconductor Behavior","Chemical Communications","2019","","","","","10.1039/C8CC09840A","","","0.71073","MoKα","","0.1137","0.0695","","","0.1872","0.2122","","","","","","0.994","","","","has coordinates","214320","2020-10-21","18:00:00",""
"7123205","9.5346","0.0003","10.6065","0.0003","15.8593","0.0005","98.139","0.002","106.093","0.003","106.176","0.003","1437.77","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C70 H64 O10 -","2","1","","Guo, Jiao-Mei; Miao, Hongjie; Zhao, Yang; Bai, Xu-Guan; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","Unexpected multi-component one-pot cascade to access furanobenzodihydropyran-fused polycyclic heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC02170A","","x-ray","1.54184","CuKα","","0.0658","0.0511","","","0.1358","0.1489","","","","","","1.039","","","","has coordinates,has disorder","214321","2020-10-21","18:00:00",""
"7123206","11.984","0.002","10.1319","0.0006","20.901","0.004","90","","135.76","0.03","90","","1770.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Guo, Jiao-Mei; Miao, Hongjie; Zhao, Yang; Bai, Xu-Guan; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","Unexpected multi-component one-pot cascade to access furanobenzodihydropyran-fused polycyclic heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC02170A","","x-ray","1.54184","CuKα","","0.0639","0.0461","","","0.1178","0.1356","","","","","","1.028","","","","has coordinates","214321","2020-10-21","18:00:00",""
"7123207","13.0451","0.0006","13.1383","0.0006","17.765","0.0009","68.945","0.004","86.325","0.004","89.998","0.004","2834.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O4 -","- C35 H32 O4 -","- C140 H128 O16 -","4","2","","Guo, Jiao-Mei; Miao, Hongjie; Zhao, Yang; Bai, Xu-Guan; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","Unexpected multi-component one-pot cascade to access furanobenzodihydropyran-fused polycyclic heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC02170A","","x-ray","1.54184","CuKα","","0.0655","0.0476","","","0.1256","0.1416","","","","","","1.024","","","","has coordinates","214321","2020-10-21","18:00:00",""
"7123208","10.3803","0.0006","12.1686","0.0007","13.342","0.0009","101.137","0.005","109.082","0.006","107.852","0.005","1433.1","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C70 H64 O10 -","2","1","","Guo, Jiao-Mei; Miao, Hongjie; Zhao, Yang; Bai, Xu-Guan; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","Unexpected multi-component one-pot cascade to access furanobenzodihydropyran-fused polycyclic heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC02170A","","x-ray","1.54184","CuKα","","0.0721","0.048","","","0.1195","0.1373","","","","","","1.022","","","","has coordinates","214321","2020-10-21","18:00:00",""
"7123209","10.6175","0.0002","13.9358","0.0003","20.2592","0.0005","90","","97.279","0.002","90","","2973.46","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O5 -","- C36 H34 O5 -","- C144 H136 O20 -","4","1","","Guo, Jiao-Mei; Miao, Hongjie; Zhao, Yang; Bai, Xu-Guan; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","Unexpected multi-component one-pot cascade to access furanobenzodihydropyran-fused polycyclic heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC02170A","","x-ray","1.54184","CuKα","","0.0692","0.0523","","","0.1356","0.1529","","","","","","1.04","","","","has coordinates","214321","2020-10-21","18:00:00",""
"7123210","11.2888","0.0006","6.6366","0.0003","36.0796","0.0018","90","","95.894","0.002","90","","2688.8","0.2","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 B Cl2 F2 N2 -","- C26 H31 B Cl2 F2 N2 -","- C104 H124 B4 Cl8 F8 N8 -","4","1","","Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong","Development of BODIPY Dyes with Versatile Functional Groups at 3,5-Positions from Diacyl Peroxides via Cu(II)-Catalyzed Radical Alkylation","Chemical Communications","2019","","","","","10.1039/C9CC01602C","","","0.71073","MoKα","","0.0889","0.0609","","","0.1333","0.1483","","","","","","1.058","","","","has coordinates","214348","2020-10-21","18:00:00",""
"7123211","7.004","0.0014","14.206","0.003","22.139","0.005","90","","90","","90","","2202.8","0.8","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 B Br Cl2 F2 N3 -","- C22 H17 B Br Cl2 F2 N3 -","- C88 H68 B4 Br4 Cl8 F8 N12 -","4","1","","Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong","Development of BODIPY Dyes with Versatile Functional Groups at 3,5-Positions from Diacyl Peroxides via Cu(II)-Catalyzed Radical Alkylation","Chemical Communications","2019","","","","","10.1039/C9CC01602C","","","0.71073","MoKα","","0.0985","0.0688","","","0.1477","0.1652","","","","","","1.139","","","","has coordinates","214348","2020-10-21","18:00:00",""
"7123212","7.2552","0.0004","16.7595","0.0009","22.7809","0.001","90","","90","","90","","2770","0.2","298.15","","298.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C31 H25 B Cl2 F2 N2 -","- C31 H25 B Cl2 F2 N2 -","- C124 H100 B4 Cl8 F8 N8 -","4","0.5","","Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong","Development of BODIPY Dyes with Versatile Functional Groups at 3,5-Positions from Diacyl Peroxides via Cu(II)-Catalyzed Radical Alkylation","Chemical Communications","2019","","","","","10.1039/C9CC01602C","","","0.71073","MoKα","","0.1401","0.1217","","","0.2094","0.2182","","","","","","1.291","","","","has coordinates","214348","2020-10-21","18:00:00",""
"7123213","11.677","0.0004","16.163","0.0002","5.82445","0.00018","90","","90","","90","","1099.28","0.05","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi2 O6 Sc2 -","- Bi2 O6 Sc2 -","- Bi16 O48 Sc16 -","8","1","","Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander","Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites","Chemical Communications","2019","","","","","10.1039/C9CC00472F","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","5.7283","","","","","","","","has coordinates","214349","2020-10-21","18:00:00",""
"7123214","5.6605","0.0002","15.7832","0.0005","11.3751","0.0004","90","","90","","90","","1016.26","0.06","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi16 Fe11.2 O48 Sc4.8 -","- Bi16 Fe11.2 O48 Sc4.8 -","- Bi16 Fe11.2 O48 Sc4.8 -","1","0.125","","Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander","Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites","Chemical Communications","2019","","","","","10.1039/C9CC00472F","powder diffraction","","","neutron","","","","","","","","","5.1535","","","","","","","","has coordinates","214350","2020-10-21","18:00:00",""
"7123215","5.62949","0.0001","5.62949","0.0001","14.0273","0.0004","90","","90","","120","","384.984","0.015","5","","5","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Bi6 Fe4.2 O18 Sc1.8 -","- Bi6 Fe4.2 O18.0002 Sc1.8 -","- Bi6 Fe4.2 O18.0002 Sc1.8 -","1","0.0555556","","Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander","Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites","Chemical Communications","2019","","","","","10.1039/C9CC00472F","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","4.096","","","","","","","","has coordinates","214351","2020-10-21","18:00:00",""
"7123216","8.9913","0.0005","12.5989","0.0006","9.1253","0.0005","90","","104.664","0.002","90","","1000.05","0.09","273","2","273","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba5Bi2Co2S10","","- Ba1.25 Bi0.5 Co0.5 S2.5 -","- Ba1.25 Bi0.5 Co0.5 S2.5 -","- Ba10 Bi4 Co4 S20 -","8","2","","Bu, Kejun; Zhang, Xian; Huang, Jian; Luo, Mengjia; Chong, Zheng; Wang, Ruiqi; Wang, Dong; He, Jianqiao; Zhao, Wei; Che, Xiangli; Huang, Fu Qiang","Crystal Structure Design and Multiband Physical Properties of Quaternary Sulfide Ba5Bi2Co2S10 for Optoelectronic Conversion","Chemical Communications","2019","","","","","10.1039/C9CC00794F","","","0.71073","MoKα","","0.0392","0.0284","","","0.0486","0.0512","","","","","","1.033","","","","has coordinates","214352","2020-10-21","18:00:00",""
"7123217","8.2001","0.0008","10.9088","0.001","9.3504","0.0009","90","","103.508","0.0017","90","","813.29","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N O -","- C8 H13 N O -","- C32 H52 N4 O4 -","4","1","","Wu, Xiao-Feng; Dixneuf, pierre H; Zhang, Zhuan; yin, zhiping; Zhang, Youcan","Carbonylation of Tertiary Carbon Radical: Synthesis of Lactams","Chemical Communications","2019","","","","","10.1039/C9CC02112D","","","0.71073","MoKα","","0.042","0.036","","","0.0952","0.101","","","","","","1.051","","","","has coordinates","214353","2020-10-21","18:00:00",""
"7123218","9.1262","0.0006","13.9881","0.0009","14.5299","0.0009","90","","95.526","0.003","90","","1846.2","0.2","123","","123","","","","","","","","Daniel Joss","5","P 1 21 1","P 2yb","4","","","","- C12 H34 Cl2 N4 O2 -","- C12 H34 Cl2 N4 O2 -","- C48 H136 Cl8 N16 O8 -","4","2","","Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel","Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks","Chemical Communications","2019","","","","","10.1039/C9CC00720B","","","1.5418","CuKα","","0.0649","0.0631","","0.1473","0.1467","0.1473","","","","","","1.2469","","","","has coordinates","214381","2020-10-21","18:00:00",""
"7123219","9.5648","0.0011","19.708","0.002","9.8034","0.0011","90","","105.271","0.004","90","","1782.7","0.3","123","","123","","","","","","","","Thomas Muentener","3","C 1 2 1","C 2y","5","","","","- C16 H36 N4 -","- C16 H36 N4 -","- C64 H144 N16 -","4","1","","Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel","Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks","Chemical Communications","2019","","","","","10.1039/C9CC00720B","","","1.54178","CuKα","","0.0264","0.0261","","0.0589","0.0588","0.0589","","","","","","0.8694","","","","has coordinates","214381","2020-10-21","18:00:00",""
"7123220","9.0294","0.0005","14.6457","0.0009","12.718","0.0007","90","","106.439","0.003","90","","1613.1","0.16","123","","123","","","","","","","","Thomas Muentener","5","P 1 21 1","P 2yb","4","","","","- C12 H30 Cl N4 O1.5 -","- C12 H30 Cl N4 O1.5 -","- C48 H120 Cl4 N16 O6 -","4","2","","Müntener, Thomas; Thommen, Fabienne; Joss, Daniel; Kottelat, Jérémy; Prescimone, Alessandro; Häussinger, Daniel","Synthesis of chiral nine and twelve-membered cyclic polyamines from natural building blocks","Chemical Communications","2019","","","","","10.1039/C9CC00720B","","","1.5418","CuKα","","0.0546","0.05","","0.1315","0.1272","0.1315","","","","","","0.8964","","","","has coordinates","214381","2020-10-21","18:00:00",""
"7123221","12.3366","0.0001","15.1621","0.0002","15.7443","0.0002","62.182","0.001","81.78","0.001","69.434","0.001","2437.84","0.06","173.02","","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H67 N P4 Ru -","- C46 H67 N P4 Ru -","- C92 H134 N2 P8 Ru2 -","2","1","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","1.54178","CuKα","","0.0446","0.04","","","0.1161","0.1189","","","","","","1.03","","","","has coordinates,has disorder","214382","2020-10-21","18:00:00",""
"7123222","22.4079","0.0019","8.4614","0.0003","18.3999","0.001","90","","106.429","0.004","90","","3346.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Cl2 P4 Ru -","- C32 H44 Cl2 P4 Ru -","- C128 H176 Cl8 P16 Ru4 -","4","0.5","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","0.71073","MoKα","","0.0588","0.0436","","","0.097","0.1075","","","","","","1.041","","","","has coordinates","214382","2020-10-21","18:00:00",""
"7123223","9.2674","0.0002","9.4247","0.0002","11.0702","0.0002","65.816","0.001","77.352","0.002","68.257","0.001","816.7","0.03","173","2","173.01","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N2 P2 Ru -","- C30 H52 N2 P2 Ru -","- C30 H52 N2 P2 Ru -","1","0.5","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","1.54178","CuKα","","0.0516","0.0447","","","0.1003","0.1031","","","","","","0.977","","","","has coordinates","214382","2020-10-21","18:00:00",""
"7123224","13.4178","0.0008","20.5314","0.0011","17.4463","0.0012","90","","90","","90","","4806.2","0.5","173","2","173.01","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C180 H312 N12 P12 -","- C180 H312 N12 P12 -","- C180 H312 N12 P12 -","1","0.25","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","1.54178","CuKα","","0.2024","0.0951","","","0.2092","0.2672","","","","","","1.032","","","","has coordinates,has disorder","214382","2020-10-21","18:00:00",""
"7123225","12.1827","0.0016","18.134","0.002","17.774","0.002","90","","108.103","0.003","90","","3732.3","0.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H61 N4 P3 Ru -","- C33 H61 N4 P3 Ru -","- C132 H244 N16 P12 Ru4 -","4","1","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","0.71073","MoKα","","0.0657","0.0389","","","0.0774","0.0857","","","","","","0.922","","","","has coordinates","214382","2020-10-21","18:00:00",""
"7123226","18.336","0.006","16.773","0.005","24.001","0.007","90","","90","","90","","7382","4","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H59 N4 O0.25 P3 Ru -","- C32 H59 N4 O0.25 P3 Ru -","- C256 H472 N32 O2 P24 Ru8 -","8","1","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","0.71073","MoKα","","0.0742","0.0483","","","0.1248","0.1394","","","","","","0.989","","","","has coordinates,has disorder","214382","2020-10-21","18:00:00",""
"7123227","17.0772","0.0012","17.6205","0.0013","19.6308","0.0014","89.86","0.002","69.187","0.002","89.45","0.002","5521.4","0.7","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C43.5 H89.5 N4 O1.25 P3 Ru Si2.5 -","- C43.5 H89.5 N4 O1.25 P3 Ru Si2.5 -","- C174 H358 N16 O5 P12 Ru4 Si10 -","4","2","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","1.54178","CuKα","","0.1194","0.0595","","","0.1282","0.1554","","","","","","0.98","","","","has coordinates,has disorder","214382","2020-10-21","18:00:00",""
"7123228","19.3737","0.0004","10.1392","0.0002","18.4928","0.0004","90","","90.309","0.001","90","","3632.56","0.13","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 B2 Cl2 F4 N6 Pd -","- C38 H34 B2 Cl2 F4 N6 Pd -","- C152 H136 B8 Cl8 F16 N24 Pd4 -","4","0.5","","Dissanayake, Komadhie; Ebukuyo, Peters; Dhahir, Yasser; Wheeler, Kraig; He, Hongshan","A BODIPY-functionalized PdII photoredox catalyst for Sonogashira C-C cross-coupling reactions","Chemical Communications","2019","","","","","10.1039/C9CC01365B","","","1.54178","CuKα","","0.0317","0.0312","","","0.0836","0.0842","","","","","","1.098","","","","has coordinates","214406","2020-10-21","18:00:00",""
"7123229","27.2239","0.0004","27.2239","0.0004","20.9401","0.0013","90","","90","","90","","15519.6","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C136 H188 Cl12 N8 O28 -","- C136 H188 Cl12 N8 O28 -","- C544 H752 Cl48 N32 O112 -","4","","","Peng, Zhiyong; Guo, Xuwen; Xu, Weitao; Li, Jian; Deng, Pengchi; Xiao, Xin; Feng, Wen; Yuan, Lihua","Strong positive allosteric cooperativity in ternary complexes based on hydrogen-bonded aromatic amide macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC00925F","","","1.54184","CuKα","","0.2018","0.1642","","","0.3189","0.3339","","","","","","1.027","","","","has coordinates,has disorder","214407","2020-10-21","18:00:00",""
"7123230","28.073","0.005","21.531","0.004","28.536","0.005","90","","104.17","0.03","90","","16723","6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","mtm-saphe-Mg2+","","- C250.29 H340.86 Mg2 N4 O141.24 -","- C250.28 H340.822 Mg2 N4 O141.24 -","- C500.56 H681.644 Mg4 N8 O282.48 -","2","1","","Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.","How mithramycin stereochemistry dictates its structure and DNA binding function.","MedChemComm","2019","10","5","735","741","10.1039/c9md00100j","","","0.97872","synchrotron","","0.1026","0.0795","","","0.2076","0.2318","","","","","","1.108","","","","has coordinates","224645","2020-10-21","18:00:00",""
"7123231","18.7382","0.0005","28.3032","0.0008","31.3664","0.0007","90","","90","","90","","16635.2","0.7","90","0.2","90","0.2","","","","","","","","5","I 2 2 2","I 2 2","23","","mtm-B-Zn2+","","- C416 H544 B8 O257 Zn4 -","- C416 H544 B8 O257 Zn4 -","- C416 H544 B8 O257 Zn4 -","1","0.125","","Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.","How mithramycin stereochemistry dictates its structure and DNA binding function.","MedChemComm","2019","10","5","735","741","10.1039/c9md00100j","","","1.54178","CuKα","","0.0693","0.0508","","","0.1413","0.159","","","","","","1.052","","","","has coordinates,has disorder","224645","2020-10-21","18:00:00",""
"7123232","26.645","0.004","26.645","0.004","10.542","0.002","90","","90","","120","","6481.6","1.8","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C62 H33 Co F3 N12 O8 Ru -","- C60 H33 Co N12 O6 Ru -","- C120 H66 Co2 N24 O12 Ru2 -","2","0.166667","","Schmitt, Wolfgang; Martins, Luana; Macreadie, Lauren; Sensharma, Debobroto; Vaesen, Sebastien; Zhang, Xia; Gough, John; O'Doherty, Mariah; Zhu, Nianyong; Ruether, Manuel; O'Brien, John E; Bradley, A. Louise","Light-harvesting, 3rd generation MOF with large, tubular channel aperture","Chemical Communications","2019","","","","","10.1039/C9CC00206E","","","1.54184","CuKα","","0.1736","0.101","","","0.237","0.28","","","","","","1.056","","","","has coordinates","214417","2020-10-21","18:00:00",""
"7123233","11.6991","0.0002","7.5524","0.00018","14.8701","0.0003","90","","97.7197","0.0016","90","","1301.96","0.05","294.5","0.3","294.5","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 N8 -","- C64 H64 N8 -","- C64 H64 N8 -","1","0.25","","Kishore, Jugal; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed direct synthesis of ketazines using secondary alcohols","Chemical Communications","2019","","","","","10.1039/C9CC01383K","","x-ray","1.54184","CuKα","","0.0456","0.0433","","","0.127","0.1293","","","","","","1.053","","","","has coordinates","214418","2020-10-21","18:00:00",""
"7123234","13.5019","0.0004","10.207","0.0003","17.0548","0.0005","90","","95.13","0.003","90","","2340.97","0.12","194","","194","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1Z,2Z)-1,2-bis((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-ylidene)hydrazine","","- C54 H88 N2 -","- C54 H88 N2 -","- C108 H176 N4 -","2","1","","Kishore, Jugal; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed direct synthesis of ketazines using secondary alcohols","Chemical Communications","2019","","","","","10.1039/C9CC01383K","","x-ray","0.71073","MoKα","","0.0623","0.0534","","","0.1368","0.1423","","","","","","1.052","","","","has coordinates","214418","2020-10-21","18:00:00",""
"7123235","18.8305","0.0005","5.3157","0.00013","9.2092","0.0002","90","","100.656","0.003","90","","905.92","0.04","298.21","0.1","298.21","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 -","- C48 H40 N4 -","- C48 H40 N4 -","1","0.25","","Kishore, Jugal; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed direct synthesis of ketazines using secondary alcohols","Chemical Communications","2019","","","","","10.1039/C9CC01383K","","x-ray","1.54184","CuKα","","0.049","0.0463","","","0.1445","0.1481","","","","","","1.12","","","","has coordinates","214418","2020-10-21","18:00:00",""
"7123236","6.6312","0.0004","12.1271","0.0007","12.3925","0.0007","97.657","0.002","95.471","0.002","102.874","0.002","954.76","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18071z","","","- C18 H21 Cl N4 O4 -","- C18 H21 Cl N4 O4 -","- C36 H42 Cl2 N8 O8 -","2","1","","Suryanarayanan, Raj; Duggirala, Naga Kiran; Li, Jinghan; N S, Krishna Kumar; Gopinath, Tata","Supramolecular Synthon Approach to Design Amorphous Solid Dispersions with Exceptional Physical Stability","Chemical Communications","2019","","","","","10.1039/C9CC02021G","","","0.71073","MoKα","","0.0528","0.0415","","","0.101","0.1108","","","","","","1.008","","","","has coordinates","214429","2020-10-21","18:00:00",""
"7123237","13.7783","0.0013","9.7768","0.0007","10.5658","0.0008","90","","110.828","0.01","90","","1330.3","0.2","117.4","0.5","117.4","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","0.5","","Li, Xia; Wang, Zhifang; Sun, Jiaxing; Gao, Jia; Zhao, Yu; Peng, Cheng; Aguila, Briana; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","Squaramide-Decorated Covalent Organic Framework as a New Platform for Biomimetic Hydrogen-Bonding Organocatalysis","Chemical Communications","2019","","","","","10.1039/C9CC01317B","","x-ray","0.71073","MoKα","","0.0775","0.0523","","","0.1255","0.1551","","","","","","0.847","","","","has coordinates","214436","2020-10-21","18:00:00",""
"7123238","12.898","0.003","16.287","0.004","8.832","0.002","90","","98.966","0.005","90","","1832.7","0.7","100","2","100","2","","","","","","","Jean-Baptiste Vendeville","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Harrowven, David; Vendeville, Jean-Baptiste; Matters, Rebecca; Chen, Anqi; Tizzard, Graham J.; Light, Mark E.; Chai, Christina L. L.","A Synthetic Approach to Chrysophaentin F","Chemical Communications","2019","","","","","10.1039/C9CC01666J","","","0.71075","MoKα","","0.0919","0.0636","","","0.1134","0.1265","","","","","","1.092","","","","has coordinates","214437","2020-10-21","18:00:00",""
"7123239","8.8648","0.0003","14.4714","0.0007","16.6885","0.0005","107.662","0.003","103.267","0.003","96.182","0.003","1948.91","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H44 O8 -","- C50 H44 O8 -","- C100 H88 O16 -","2","1","","Harrowven, David; Vendeville, Jean-Baptiste; Matters, Rebecca; Chen, Anqi; Tizzard, Graham J.; Light, Mark E.; Chai, Christina L. L.","A Synthetic Approach to Chrysophaentin F","Chemical Communications","2019","","","","","10.1039/C9CC01666J","","x-ray","0.71075","MoKα","","0.0805","0.0483","","","0.1033","0.1159","","","","","","1.014","","","","has coordinates","214437","2020-10-21","18:00:00",""
"7123240","13.8526","0.0006","13.8526","0.0006","7.8862","0.0004","90","","90","","90","","1513.32","0.12","193","2","193","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C24 H16 F5 N4 Nb Ni O -","- C24 H16 F5 N4 Nb Ni O -","- C48 H32 F10 N8 Nb2 Ni2 O2 -","2","0.0625","","Yang, Lifeng; Jin, Anye; Ge, Lisha; Cui, Xili; Xing, Huabin","A novel interpenetrated anion-pillared porous material with high water tolerance afforded efficient C2H2/C2H4 separation","Chemical Communications","2019","","","","","10.1039/C9CC00976K","","","1.34139","GaKα","","0.0644","0.0644","","","0.1671","0.1671","","","","","","1.157","","","","has coordinates,has disorder","214449","2020-10-21","18:00:00",""
"7123241","11.7907","0.0007","11.9943","0.0007","13.0642","0.0007","103.531","0.005","103.457","0.005","93.287","0.004","1734.7","0.18","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 B F4 N4 Rh -","- C36 H36 B F4 N4 Rh -","- C72 H72 B2 F8 N8 Rh2 -","2","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo","d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]‒: Bond Analysis and Crystal Effects","Chemical Communications","2019","","","","","10.1039/C9CC01377F","","x-ray","0.71073","MoKα","","0.1268","0.0631","","","0.1041","0.1331","","","","","","1.042","","","","has coordinates","214450","2020-10-21","18:00:00",""
"7123242","8.6127","0.0003","14.8452","0.0005","20.5926","0.0007","88.376","0.003","78.045","0.003","82.826","0.003","2555.63","0.15","294","","294","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N4 Rh -","- C28 H27 N4 Rh -","- C112 H108 N16 Rh4 -","4","2","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo","d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]‒: Bond Analysis and Crystal Effects","Chemical Communications","2019","","","","","10.1039/C9CC01377F","","x-ray","0.71073","MoKα","","0.127","0.0583","","","0.0814","0.1073","","","","","","1.07","","","","has coordinates","214450","2020-10-21","18:00:00",""
"7123243","11.7506","0.0007","13.6103","0.0006","15.5642","0.0009","99.423","0.004","110.298","0.005","94.397","0.004","2279","0.2","179.8","0.4","179.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Au1.5 Cl6 N7 Rh -","- C40 H38 Au1.5 Cl6 N7 Rh -","- C80 H76 Au3 Cl12 N14 Rh2 -","2","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo","d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]‒: Bond Analysis and Crystal Effects","Chemical Communications","2019","","","","","10.1039/C9CC01377F","","x-ray","0.71073","MoKα","","0.2089","0.0912","","","0.1339","0.1785","","","","","","1.038","","","","has coordinates","214450","2020-10-21","18:00:00",""
"7123244","7.6734","0.0005","15.7599","0.0012","17.8463","0.001","110.029","0.006","90.594","0.005","99.495","0.006","1994.7","0.2","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Au Cl3 N6 Rh -","- C39 H37 Au Cl3 N6 Rh -","- C78 H74 Au2 Cl6 N12 Rh2 -","2","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo","d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]‒: Bond Analysis and Crystal Effects","Chemical Communications","2019","","","","","10.1039/C9CC01377F","","x-ray","0.71073","MoKα","","0.0788","0.0493","","","0.0976","0.1174","","","","","","1.064","","","","has coordinates,has disorder","214450","2020-10-21","18:00:00",""
"7123245","16.9315","0.0008","6.7987","0.0004","31.6402","0.0012","90","","98.038","0.004","90","","3606.4","0.3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Au N6 Rh -","- C38 H36 Au N6 Rh -","- C152 H144 Au4 N24 Rh4 -","4","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo","d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]‒: Bond Analysis and Crystal Effects","Chemical Communications","2019","","","","","10.1039/C9CC01377F","","x-ray","0.71073","MoKα","","0.138","0.0471","","","0.0492","0.0702","","","","","","0.934","","","","has coordinates","214450","2020-10-21","18:00:00",""
"7123246","11.7657","0.0004","13.0544","0.0005","13.1851","0.0005","96.657","0.003","102.564","0.003","109.808","0.003","1819.62","0.13","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Au N6 Rh -","- C38 H36 Au N6 Rh -","- C76 H72 Au2 N12 Rh2 -","2","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo","d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]‒: Bond Analysis and Crystal Effects","Chemical Communications","2019","","","","","10.1039/C9CC01377F","","x-ray","0.71073","MoKα","","0.1309","0.0543","","","0.0663","0.0857","","","","","","1.011","","","","has coordinates","214450","2020-10-21","18:00:00",""
"7123247","12.6245","0.0012","8.6062","0.0009","18.1703","0.0016","90","","97.732","0.003","90","","1956.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 N8 O6 -","- C46 H42 N8 O6 -","- C92 H84 N16 O12 -","2","0.5","","Niu, Ru-Jie; Zhou , Wen-Fa; LIU, Yan; Yang, Junyi; Zhang, Wen-Hua; Lang, Jian-Ping; Young, david James","Morphology-dependent third-order optical nonlinearity of a 2D Co-based metal−organic framework with a porphyrinic skeleton","Chemical Communications","2019","","","","","10.1039/C9CC01363F","","","0.71073","MoKα","","0.1706","0.0793","","","0.1498","0.1795","","","","","","1.044","","","","has coordinates","214451","2020-10-21","18:00:00",""
"7123248","9.8838","0.0009","9.113","0.0007","20.2408","0.0018","90","","103.771","0.003","90","","1770.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Co N8 O4 -","- C44 H32 Co N8 O4 -","- C88 H64 Co2 N16 O8 -","2","0.5","","Niu, Ru-Jie; Zhou , Wen-Fa; LIU, Yan; Yang, Junyi; Zhang, Wen-Hua; Lang, Jian-Ping; Young, david James","Morphology-dependent third-order optical nonlinearity of a 2D Co-based metal−organic framework with a porphyrinic skeleton","Chemical Communications","2019","","","","","10.1039/C9CC01363F","","","0.71073","MoKα","","0.1266","0.0648","","","0.14","0.1642","","","","","","1.059","","","","has coordinates","214451","2020-10-21","18:00:00",""
"7123249","21.5387","0.0003","21.5387","0.0003","21.5387","0.0003","90","","90","","90","","9992.1","0.2","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C158 H188 Br16 Co8 N38 O15 -","- C144 H132 Br16 Co8 N36 -","- C288 H264 Br32 Co16 N72 -","2","0.0833333","","Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan","Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages","Chemical Communications","2019","","","","","10.1039/C9CC02083G","","","1.54184","CuKα","","0.1776","0.0837","","","0.2265","0.285","","","","","","1.009","","","","has coordinates","214452","2020-10-21","18:00:00",""
"7123250","21.086","0.0002","21.086","0.0002","21.086","0.0002","90","","90","","90","","9375.24","0.15","100","2","100","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C154 H193 Br4 Co8 F12 N37 O21 -","- C144 H134 Br4 Co8 F12 N36 O -","- C288 H268.001 Br8 Co16 F24 N72 O2 -","2","0.0833333","","Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan","Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages","Chemical Communications","2019","","","","","10.1039/C9CC02083G","","","1.54184","CuKα","","0.0675","0.0619","","","0.1828","0.186","","","","","","1.148","","","","has coordinates","214452","2020-10-21","18:00:00",""
"7123251","24.0922","0.0019","30.1286","0.0012","68.447","0.003","90","","90","","90","","49683","5","100","2","100","2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C218.5 H132 Br13 Co10 F36 N44 O19.75 -","- C156 H132 Br13 Co10 F36 N36 -","- C1248 H1056 Br104 Co80 F288 N288 -","8","","","Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan","Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages","Chemical Communications","2019","","","","","10.1039/C9CC02083G","","","1.54178","CuKα","","0.2629","0.1405","","","0.3732","0.4544","","","","","","1.21","","","","has coordinates","214452","2020-10-21","18:00:00",""
"7123252","30.5517","0.0018","19.0256","0.0007","35.95","0.002","90","","120.657","0.008","90","","17976","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C166.5 H194.1 Br7 Co8 N39 O3.9 -","- C166 H192 Br7 Co8 N38 O3 -","- C664 H768 Br28 Co32 N152 O12 -","4","0.5","","Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan","Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages","Chemical Communications","2019","","","","","10.1039/C9CC02083G","","","1.54184","CuKα","","0.1364","0.1238","","","0.3519","0.3665","","","","","","1.483","","","","has coordinates","214452","2020-10-21","18:00:00",""
"7123253","30.59463","0.00019","19.5225","0.00012","33.3193","0.0002","90","","110.461","0.0007","90","","18645.5","0.2","100.1","0.2","100.1","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C162 H185 Br19 Co8 N40 O13 -","- C154 H154 Br19 Co8 N38 O2 -","- C616 H616 Br76 Co32 N152 O8 -","4","0.5","","Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan","Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages","Chemical Communications","2019","","","","","10.1039/C9CC02083G","","","1.54184","CuKα","","0.0751","0.073","","","0.2133","0.2153","","","","","","1.038","","","","has coordinates","214452","2020-10-21","18:00:00",""
"7123254","18.4742","0.0008","5.9923","0.0002","19.2732","0.0009","90","","98.981","0.002","90","","2107.44","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","","Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu","Visible-Light-Driven Copper-Catalyzed Aerobic Oxidative Cascade Cyclization of N-Tosylhydrazones and Terminal Alkynes: Regioselective Synthesis of 3-Arylcoumarins","Chemical Communications","2019","","","","","10.1039/C9CC01801H","","","0.71073","MoKα","","0.0495","0.0383","","","0.0945","0.1025","","","","","","1.076","","","","has coordinates","214475","2020-10-21","18:00:00",""
"7123255","13.795","0.007","7.246","0.004","12.168","0.006","90","","105.255","0.011","90","","1173.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C64 H36 N4 O8 -","4","1","","Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu","Visible-Light-Driven Copper-Catalyzed Aerobic Oxidative Cascade Cyclization of N-Tosylhydrazones and Terminal Alkynes: Regioselective Synthesis of 3-Arylcoumarins","Chemical Communications","2019","","","","","10.1039/C9CC01801H","","","0.71073","MoKα","","0.1394","0.0912","","","0.2398","0.2722","","","","","","1.047","","","","has coordinates","214475","2020-10-21","18:00:00",""
"7123256","13.4167","0.0012","7.2031","0.0008","13.9328","0.0015","90","","106.425","0.005","90","","1291.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu","Visible-Light-Driven Copper-Catalyzed Aerobic Oxidative Cascade Cyclization of N-Tosylhydrazones and Terminal Alkynes: Regioselective Synthesis of 3-Arylcoumarins","Chemical Communications","2019","","","","","10.1039/C9CC01801H","","","0.71073","MoKα","","0.054","0.0414","","","0.1065","0.1166","","","","","","1.026","","","","has coordinates","214475","2020-10-21","18:00:00",""
"7123257","17.3663","0.0009","15.3052","0.0005","10.2855","0.0005","90","","105.704","0.005","90","","2631.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N4 O S -","- C34 H26 N4 O S -","- C136 H104 N16 O4 S4 -","4","1","","Sun, Zhanghua; Zang, Qiguang; Luo, Qing; Lv, Chunyan; Cao, Feng; Song, Qingbao; Zhao, Ruiyang; Zhang, Yujian; Wong, Wai-Yeung","Emission enhancement and high sensitivity of a π-conjugated dye towards pressure: the synergistic effect of supramolecular interactions and H-aggregation","Chemical Communications","2019","","","","","10.1039/C9CC00978G","","x-ray","1.54184","CuKα","","0.0959","0.0814","","","0.2318","0.2398","","","","","","1.09","","","","has coordinates","214476","2020-10-21","18:00:00",""
"7123258","7.25705","0.00016","9.16553","0.00018","22.3109","0.0004","82.62","0.0015","86.5593","0.0016","70.244","0.002","1384.87","0.05","99.9","0.8","99.9","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 N4 O2 S -","- C35 H26 N4 O2 S -","- C70 H52 N8 O4 S2 -","2","1","","Sun, Zhanghua; Zang, Qiguang; Luo, Qing; Lv, Chunyan; Cao, Feng; Song, Qingbao; Zhao, Ruiyang; Zhang, Yujian; Wong, Wai-Yeung","Emission enhancement and high sensitivity of a π-conjugated dye towards pressure: the synergistic effect of supramolecular interactions and H-aggregation","Chemical Communications","2019","","","","","10.1039/C9CC00978G","","x-ray","1.54184","CuKα","","0.0368","0.0341","","","0.0888","0.0905","","","","","","1.054","","","","has coordinates","214476","2020-10-21","18:00:00",""
"7123259","8.5391","0.0004","11.0667","0.0005","16.9456","0.0009","90","","90","","90","","1601.35","0.13","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 O P S -","- C19 H17 O P S -","- C76 H68 O4 P4 S4 -","4","1","","Zheng, Ke; Li, Yujun; Yang, Qi; Yang, Liquan; Lei, Ning","Scalable, Electrochemical Dehydrogenative Cross-Coupling of P(O)H Compounds with RSH/ROH","Chemical Communications","2019","","","","","10.1039/C9CC01378D","","","0.71073","MoKα","","0.0439","0.0332","","","0.0808","0.0885","","","","","","1.008","","","","has coordinates","214477","2020-10-21","18:00:00",""
"7123260","8.939","0.0015","11.3093","0.0018","9.5031","0.0017","90","","100.362","0.005","90","","945","0.3","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 O2 P -","- C22 H23 O2 P -","- C44 H46 O4 P2 -","2","1","","Zheng, Ke; Li, Yujun; Yang, Qi; Yang, Liquan; Lei, Ning","Scalable, Electrochemical Dehydrogenative Cross-Coupling of P(O)H Compounds with RSH/ROH","Chemical Communications","2019","","","","","10.1039/C9CC01378D","","","0.71073","MoKα","","0.0907","0.0572","","","0.1291","0.1624","","","","","","1.003","","","","has coordinates","214477","2020-10-21","18:00:00",""
"7123261","10.2617","0.0008","11.8325","0.0013","13.6055","0.001","108.601","0.008","104.45","0.007","104.858","0.008","1410.9","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Li6 O6 Si6 -","- C48 H78 Li6 O6 Si6 -","- C48 H78 Li6 O6 Si6 -","1","0.5","","Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes","Chemical Communications","2019","","","","","10.1039/C9CC02315A","","x-ray","0.71073","MoKα","","0.0648","0.0453","","","0.1036","0.1128","","","","","","1.04","","","","has coordinates","214478","2020-10-21","18:00:00",""
"7123262","10.69042","0.00008","32.0784","0.0002","12.72592","0.0001","90","","113.995","0.0009","90","","3986.98","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Si6 -","- C36 H48 Si6 -","- C144 H192 Si24 -","4","1","","Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes","Chemical Communications","2019","","","","","10.1039/C9CC02315A","","x-ray","1.54184","CuKα","","0.0274","0.0272","","","0.073","0.0732","","","","","","1.038","","","","has coordinates","214478","2020-10-21","18:00:00",""
"7123263","12.1176","0.0002","12.1176","0.0002","44.8866","0.0008","90","","90","","120","","5707.96","0.17","200","0.1","200","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C78 H90 Li6 O6 Si6 -","- C78 H90 Li6 O6 Si6 -","- C234 H270 Li18 O18 Si18 -","3","","","Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes","Chemical Communications","2019","","","","","10.1039/C9CC02315A","","x-ray","1.54184","CuKα","","0.0386","0.0366","","","0.1039","0.1063","","","","","","1.071","","","","has coordinates,has disorder","214478","2020-10-21","18:00:00",""
"7123264","15.5413","0.0006","17.043","0.0009","30.48","0.012","90","","90","","90","","8073","3","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Hg3 N2 Si6 -","- C34 H40 Hg3 N2 Si6 -","- C272 H320 Hg24 N16 Si48 -","8","1","","Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes","Chemical Communications","2019","","","","","10.1039/C9CC02315A","","x-ray","0.71073","MoKα","","0.024","0.0212","","","0.0436","0.0443","","","","","","1.184","","","","has coordinates","214478","2020-10-21","18:00:00",""
"7123265","5.6977","0.0006","5.6969","0.0006","32.062","0.003","90","","91.5574","0.001","90","","1040.32","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(3,3-dimethylbut-1-yn-1-yl)pyrimidine-5-carbaldehyde","2-tert-ButylethynylpyrimidineCarbaldehyde","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Kaimori, Yoshiyasu; Hiyoshi, Yui; Kawasaki, Tsuneomi; Matsumoto, Arimasa; Soai, Kenso","Formation of enantioenriched alkanol with stochastic distribution of enantiomers in the absolute asymmetric synthesis under heterogeneous solid-vapor phase conditions","Chemical Communications","2019","","","","","10.1039/C9CC01875A","","","0.71073","MoKα","","0.0517","0.0506","","","0.1333","0.1342","","","","","","1.064","","","","has coordinates,has disorder","214488","2020-10-21","18:00:00",""
"7123266","4.9037","0.0008","9.209","0.003","17.287","0.005","78.265","0.016","87.365","0.018","80.485","0.015","753.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","LYF-St","","- C38 H44 S2 -","- C38 H44 S2 -","- C38 H44 S2 -","1","0.5","","Qiao, Yanjun; Lu, Yifan; Chen, Weinan; Chen, Yijing; Baumgarten, Martin; Zhou, Gang","Cyclopenta[b]thiopyran and Cyclopenta[b]selenopyran Based Heteroarenes: Electronic Communication Between S- and/or Se-Fused Aromatics","Chemical Communications","2019","","","","","10.1039/C9CC01761E","","","1.54178","CuKα","","0.0411","0.0354","","","0.08","0.0824","","","","","","1.101","","","","has coordinates","214489","2020-10-21","18:00:00",""
"7123267","4.9067","0.0002","9.2799","0.0003","17.3392","0.0006","78.036","0.001","87.305","0.001","80.354","0.001","761.39","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","QYJ-2","","","- C38 H44 S Se -","- C38 H44 S Se -","- C38 H44 S Se -","1","1","","Qiao, Yanjun; Lu, Yifan; Chen, Weinan; Chen, Yijing; Baumgarten, Martin; Zhou, Gang","Cyclopenta[b]thiopyran and Cyclopenta[b]selenopyran Based Heteroarenes: Electronic Communication Between S- and/or Se-Fused Aromatics","Chemical Communications","2019","","","","","10.1039/C9CC01761E","","","1.54178","CuKα","","0.1207","0.1062","","","0.3024","0.3353","","","","","","1.456","","","","has coordinates","214489","2020-10-21","18:00:00",""
"7123268","5.0411","0.0003","9.2861","0.0005","17.3658","0.001","78.341","0.002","88.254","0.002","80.527","0.002","785.3","0.08","300","2","300","2","","","","","","","","3","P -1","-P 1","2","QYJ-1","","","- C38 H44 Se2 -","- C38 H44 Se2 -","- C38 H44 Se2 -","1","0.5","","Qiao, Yanjun; Lu, Yifan; Chen, Weinan; Chen, Yijing; Baumgarten, Martin; Zhou, Gang","Cyclopenta[b]thiopyran and Cyclopenta[b]selenopyran Based Heteroarenes: Electronic Communication Between S- and/or Se-Fused Aromatics","Chemical Communications","2019","","","","","10.1039/C9CC01761E","","","1.54178","CuKα","","0.0434","0.0404","","","0.1127","0.1144","","","","","","1.071","","","","has coordinates","214489","2020-10-21","18:00:00",""
"7123269","9.358","0.002","5.3966","0.0014","15.126","0.003","90","","107.38","0.016","90","","729","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Marin, Lucile; Force, Guillaume; Guillot, Régis; Gandon, Vincent; Schulz, Emmanuelle; Leboeuf, David","Photooxygenation of 2-Propargylfurans: a Path to Structurally Diverse Nitrogen-Containing 5-Membered Rings","Chemical Communications","2019","","","","","10.1039/C9CC01197H","","x-ray","1.54178","CuKα","","0.0668","0.0501","","","0.1002","0.1077","","","","","","1.043","","","","has coordinates","214491","2020-10-21","18:00:00",""
"7123270","8.1794","0.0002","10.751","0.0002","11.984","0.0003","74.543","0.001","70.121","0.001","76.368","0.001","942.88","0.04","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Marin, Lucile; Force, Guillaume; Guillot, Régis; Gandon, Vincent; Schulz, Emmanuelle; Leboeuf, David","Photooxygenation of 2-Propargylfurans: a Path to Structurally Diverse Nitrogen-Containing 5-Membered Rings","Chemical Communications","2019","","","","","10.1039/C9CC01197H","","","0.71073","MoKα","","0.051","0.0409","","","0.1161","0.1246","","","","","","1.05","","","","has coordinates","214491","2020-10-21","18:00:00",""
"7123271","8.3898","0.0006","14.8","0.0009","18.8914","0.0012","90","","91.871","0.002","90","","2344.5","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl2 N O2 -","- C27 H25 Cl2 N O2 -","- C108 H100 Cl8 N4 O8 -","4","1","","Marin, Lucile; Force, Guillaume; Guillot, Régis; Gandon, Vincent; Schulz, Emmanuelle; Leboeuf, David","Photooxygenation of 2-Propargylfurans: a Path to Structurally Diverse Nitrogen-Containing 5-Membered Rings","Chemical Communications","2019","","","","","10.1039/C9CC01197H","","","0.71073","MoKα","","0.0895","0.0543","","","0.1198","0.1332","","","","","","1.032","","","","has coordinates","214491","2020-10-21","18:00:00",""
"7123272","11.7814","0.0006","21.2101","0.001","17.8807","0.0008","90","","109.211","0.002","90","","4219.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 N2 O2 P V -","- C42 H58 N2 O2 P V -","- C168 H232 N8 O8 P4 V4 -","4","1","","Grant, Lauren; Krzystek, Jurek; Pinter, Balazs; Telser, Joshua; Gruetzmacher, Hansjoerg; Mindiola, Daniel J.","Finding a Soft Spot for Vanadium: A P-Bound OCP Ligand","Chemical Communications","2019","","","","","10.1039/C9CC01500K","","","0.71073","MoKα","","0.0489","0.0358","","","0.0824","0.0883","","","","","","1.025","","","","has coordinates","214522","2020-10-21","18:00:00",""
"7123273","6.0668","0.0016","14.232","0.004","7.778","0.002","90","","105.578","0.003","90","","646.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba Na S3 Sb -","- Ba Na S3 Sb -","- Ba4 Na4 S12 Sb4 -","4","1","","Abudurusuli, Ailijiang; Wu, Kui; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","ABaSbQ3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ3 ligands regulating the magnitudes of birefringences","Chemical Communications","2019","","","","","10.1039/C9CC00560A","","","0.71073","MoKα","","0.0226","0.02","","","0.0414","0.0539","","","","","","1.192","","","","has coordinates","214539","2020-10-21","18:00:00",""
"7123274","11.673","0.003","12.166","0.003","8.78","0.002","90","","90","","90","","1246.9","0.5","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba2 Li2 S6 Sb2 -","- Ba2 Li2 S6 Sb2 -","- Ba8 Li8 S24 Sb8 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","ABaSbQ3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ3 ligands regulating the magnitudes of birefringences","Chemical Communications","2019","","","","","10.1039/C9CC00560A","","","0.71073","MoKα","","0.024","0.0192","","","0.0373","0.0392","","","","","","1.032","","","","has coordinates","214539","2020-10-21","18:00:00",""
"7123275","6.291","0.011","14.8","0.02","8.072","0.013","90","","105.484","0.019","90","","724","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba Na Sb Se3 -","- Ba Na Sb Se3 -","- Ba4 Na4 Sb4 Se12 -","4","1","","Abudurusuli, Ailijiang; Wu, Kui; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","ABaSbQ3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ3 ligands regulating the magnitudes of birefringences","Chemical Communications","2019","","","","","10.1039/C9CC00560A","","","0.71073","MoKα","","0.0415","0.0311","","","0.0542","0.0569","","","","","","0.955","","","","has coordinates","214539","2020-10-21","18:00:00",""
"7123276","12.117","0.004","12.644","0.005","9.102","0.003","90","","90","","90","","1394.5","0.9","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba Li Sb Se3 -","- Ba Li Sb Se3 -","- Ba8 Li8 Sb8 Se24 -","8","1","","Abudurusuli, Ailijiang; Wu, Kui; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","ABaSbQ3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ3 ligands regulating the magnitudes of birefringences","Chemical Communications","2019","","","","","10.1039/C9CC00560A","","","0.71073","MoKα","","0.026","0.0198","","","0.039","0.0415","","","","","","1.045","","","","has coordinates","214539","2020-10-21","18:00:00",""
"7123277","26.6817","0.0012","10.4999","0.0007","20.369","0.0012","90","","107.883","0.006","90","","5430.8","0.6","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 I2 N4 Pd2 -","- C54 H72 I2 N4 Pd2 -","- C216 H288 I8 N16 Pd8 -","4","1","","Goossen, Lukas J.; Pirkl, Nico; Del Grosso , Alessandro; Mallick, Bert; Doppiu, Angelino","Dihalogen-bridged NHC-palladium(I) dimers: synthesis, characterisation and applications in cross-coupling reactions","Chemical Communications","2019","","","","","10.1039/C9CC02239B","","x-ray","1.54184","CuKα","","0.0848","0.0617","","","0.1483","0.1679","","","","","","1.021","","","","has coordinates,has disorder","214540","2020-10-21","18:00:00",""
"7123278","20.6001","0.0005","13.1062","0.0003","22.5609","0.0005","90","","101.91","0.002","90","","5960.1","0.2","108","10","108","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Br2 N4 O4 Pd -","- C62 H88 Br2 N4 O4 Pd -","- C248 H352 Br8 N16 O16 Pd4 -","4","0.5","","Goossen, Lukas J.; Pirkl, Nico; Del Grosso , Alessandro; Mallick, Bert; Doppiu, Angelino","Dihalogen-bridged NHC-palladium(I) dimers: synthesis, characterisation and applications in cross-coupling reactions","Chemical Communications","2019","","","","","10.1039/C9CC02239B","","x-ray","1.54184","CuKα","","0.0298","0.0288","","","0.0771","0.078","","","","","","1.061","","","","has coordinates","214540","2020-10-21","18:00:00",""
"7123279","12.352","0.0002","21.7347","0.0004","21.4568","0.0004","90","","91.0258","0.0015","90","","5759.52","0.18","102.7","0.9","102.7","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H85 Br N4 O2 Pd -","- C60 H85 Br N4 O2 Pd -","- C240 H340 Br4 N16 O8 Pd4 -","4","1","","Goossen, Lukas J.; Pirkl, Nico; Del Grosso , Alessandro; Mallick, Bert; Doppiu, Angelino","Dihalogen-bridged NHC-palladium(I) dimers: synthesis, characterisation and applications in cross-coupling reactions","Chemical Communications","2019","","","","","10.1039/C9CC02239B","","x-ray","1.54184","CuKα","","0.0427","0.0334","","","0.0769","0.083","","","","","","1.037","","","","has coordinates,has disorder","214540","2020-10-21","18:00:00",""
"7123280","7.8498","0.0002","13.1575","0.0004","13.3327","0.0004","90","","90","","90","","1377.05","0.07","107.9","0.5","107.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Wang, Zhonglei; Zu, Liansuo","Organocatalytic Enantioselective Direct Alkylation of Phloroglucinol Derivatives: Asymmetric Total Synthesis of (+)-Aflatoxin B2","Chemical Communications","2019","","","","","10.1039/C9CC01833F","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0872","0.0885","","","","","","1.039","","","","has coordinates","214541","2020-10-21","18:00:00",""
"7123281","5.7613","0.0001","20.9417","0.0003","32.5782","0.0005","90","","93.109","0.001","90","","3924.82","0.11","129","2","129","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 O8 -","- C44 H50 N2 O8 -","- C176 H200 N8 O32 -","4","1","","Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","‘Sulfonyl-Azide-Free’ (SAFE) Aqueous-Phase Diazo Transfer Reaction for Parallel and Diversity-Oriented Synthesis","Chemical Communications","2019","","","","","10.1039/C9CC02042J","","","1.54184","CuKα","","0.0684","0.0503","","","0.1329","0.1434","","","","","","1.0063","","","","has coordinates","214542","2020-10-21","18:00:00",""
"7123282","6.3558","0.0016","15.728","0.004","9.829","0.003","90","","101.217","0.007","90","","963.8","0.5","273","2","273","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H19 Cl Cu N4 O8 -","- C14 H19 Cl Cu N4 O8 -","- C28 H38 Cl2 Cu2 N8 O16 -","2","1","","Kuilya, Hemrupa; alam, Noohul; Sarma, Debajit; Choudhury, Diganta; Kalita, Apurba","Ligand Assisted Electrocatalytic Water Oxidation by a Copper (II) Complex in Neutral Phosphate Buffer","Chemical Communications","2019","","","","","10.1039/C9CC00971J","","x-ray","0.71073","MoKα","","0.0687","0.0496","","","0.1148","0.1236","","","","","","1.058","","","","has coordinates","214569","2020-10-21","18:00:00",""
"7123283","15.9471","0.0008","16.4072","0.0008","16.469","0.0007","117.261","0.002","102.796","0.002","100.327","0.002","3534","0.3","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C75 H93 N O4 P3 S3 Si V -","- C75 H93 N O4 P3 S3 Si V -","- C150 H186 N2 O8 P6 S6 Si2 V2 -","2","1","","Gu, Nina Xiao; Ung, Gaël; Peters, Jonas C.","Catalytic hydrazine disproportionation mediated by a thiolate-bridged VFe complex","Chemical Communications","2019","","","","","10.1039/C9CC00345B","","","0.71073","MoKα","","0.0773","0.0543","","","0.1327","0.1455","","","","","","1.045","","","","has coordinates,has disorder","214570","2020-10-21","18:00:00",""
"7123284","15.535","0.004","19.966","0.005","19.83","0.005","90","","94.207","0.011","90","","6134","3","100","2","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C67.82 H74.56 Fe N4 O0.95 P3 S3 Si V -","- C67.84 H74.6 Fe N4 O0.96 P3 S3 Si V -","- C271.36 H298.4 Fe4 N16 O3.84 P12 S12 Si4 V4 -","4","1","","Gu, Nina Xiao; Ung, Gaël; Peters, Jonas C.","Catalytic hydrazine disproportionation mediated by a thiolate-bridged VFe complex","Chemical Communications","2019","","","","","10.1039/C9CC00345B","","","1.54178","CuKα","","0.262","0.1821","","","0.3402","0.3944","","","","","","1.166","","","","has coordinates","214570","2020-10-21","18:00:00",""
"7123285","23.1043","0.0011","17.8047","0.0009","16.7185","0.0009","90","","95.257","0.003","90","","6848.5","0.6","100","2","99.98","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H29 N P S3 V -","- C41 H29 N P S3 V -","- C328 H232 N8 P8 S24 V8 -","8","1","","Gu, Nina Xiao; Ung, Gaël; Peters, Jonas C.","Catalytic hydrazine disproportionation mediated by a thiolate-bridged VFe complex","Chemical Communications","2019","","","","","10.1039/C9CC00345B","","","1.54178","CuKα","","0.0915","0.0581","","","0.1299","0.1479","","","","","","1.035","","","","has coordinates,has disorder","214570","2020-10-21","18:00:00",""
"7123286","8.9914","0.0004","28.6309","0.0012","27.703","0.0011","90","","96.749","0.002","90","","7082.2","0.5","100","2","100.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 O1.5 P S3 V -","- C42 H36 O1.5 P S3 V -","- C336 H288 O12 P8 S24 V8 -","8","2","","Gu, Nina Xiao; Ung, Gaël; Peters, Jonas C.","Catalytic hydrazine disproportionation mediated by a thiolate-bridged VFe complex","Chemical Communications","2019","","","","","10.1039/C9CC00345B","","","1.54178","CuKα","","0.0464","0.0396","","","0.0957","0.0995","","","","","","1.068","","","","has coordinates","214570","2020-10-21","18:00:00",""
"7123287","8.7895","0.00011","13.33093","0.00019","26.4981","0.0004","90","","90.0781","0.0012","90","","3104.84","0.08","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H51 B3 F2 K N3 O7 -","- C23 H51 B3 F2 K N3 O7 -","- C92 H204 B12 F8 K4 N12 O28 -","4","1","","Geri, Jacob B.; Aguilera, Ellen Y.; Szymczak, Nathaniel K.","Difluoromethane as a precursor to difluoromethyl borates","Chemical Communications","2019","","","","","10.1039/C9CC01565E","","x-ray","1.54184","CuKα","","0.085","0.0803","","","0.2319","0.2364","","","","","","1.104","","","","has coordinates","214588","2020-10-21","18:00:00",""
"7123288","8.68523","0.0001","23.9407","0.0003","14.40125","0.00017","90","","99.9323","0.0011","90","","2949.58","0.06","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 B F2 K N O7 -","- C25 H49 B F2 K N O7 -","- C100 H196 B4 F8 K4 N4 O28 -","4","1","","Geri, Jacob B.; Aguilera, Ellen Y.; Szymczak, Nathaniel K.","Difluoromethane as a precursor to difluoromethyl borates","Chemical Communications","2019","","","","","10.1039/C9CC01565E","","x-ray","1.54184","CuKα","","0.0415","0.0409","","","0.1087","0.1097","","","","","","1.049","","","","has coordinates","214588","2020-10-21","18:00:00",""
"7123289","10.9442","0.0018","11.887","0.002","27.698","0.005","90","","90","","90","","3603.3","1.1","173","2","173.35","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cu2 N5 S3 -","- C15 H13 Cu2 N5 S3 -","- C120 H104 Cu16 N40 S24 -","8","1","","Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi","Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers","Chemical Communications","2019","","","","","10.1039/C9CC02172H","","","0.71075","MoKα","","0.0797","0.067","","","0.1555","0.1644","","","","","","1.05","","","","has coordinates","214589","2020-10-21","18:00:00",""
"7123290","29.638","0.011","10.275","0.004","13.229","0.005","90","","98.539","0.005","90","","3984","3","173","2","173.35","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cu2 N5 S3 -","- C17 H17 Cu2 N5 S3 -","- C136 H136 Cu16 N40 S24 -","8","1","","Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi","Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers","Chemical Communications","2019","","","","","10.1039/C9CC02172H","","","0.71075","MoKα","","0.1354","0.0632","","","0.1001","0.1224","","","","","","0.964","","","","has coordinates","214589","2020-10-21","18:00:00",""
"7123291","13.081","0.006","19.687","0.009","17.017","0.008","90","","110.097","0.006","90","","4115","3","173","2","173.35","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C76 H52 Cu8 N20 S12 -","- C76 H52 Cu8 N20 S12 -","- C152 H104 Cu16 N40 S24 -","2","1","","Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi","Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers","Chemical Communications","2019","","","","","10.1039/C9CC02172H","","","0.71075","MoKα","","0.1222","0.1046","","","0.266","0.2816","","","","","","1.064","","","","has coordinates","214589","2020-10-21","18:00:00",""
"7123292","14.57","0.003","7.2048","0.0013","16.375","0.003","90","","106.271","0.003","90","","1650.1","0.5","173","2","173.35","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cu N5 S2 -","- C17 H12 Cu N5 S2 -","- C68 H48 Cu4 N20 S8 -","4","1","","Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi","Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers","Chemical Communications","2019","","","","","10.1039/C9CC02172H","","","0.71075","MoKα","","0.0395","0.0366","","","0.0939","0.0969","","","","","","1.092","","","","has coordinates","214589","2020-10-21","18:00:00",""
"7123293","11.1474","0.001","14.4208","0.0012","11.2139","0.001","90","","114.15","0.001","90","","1644.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Br2 N2 O -","- C15 H20 Br2 N2 O -","- C60 H80 Br8 N8 O4 -","4","1","","Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian","Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production","Chemical Communications","2019","","","","","10.1039/C9CC01150A","","","0.71073","MoKα","","0.0466","0.0353","","","0.0847","0.0903","","","","","","1.062","","","","has coordinates","214601","2020-10-21","18:00:00",""
"7123294","7.3138","0.0002","10.0105","0.0003","12.1578","0.0002","104.745","0.002","96.597","0.002","103.047","0.003","824.44","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br2 N2 O -","- C15 H20 Br2 N2 O -","- C30 H40 Br4 N4 O2 -","2","1","","Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian","Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production","Chemical Communications","2019","","","","","10.1039/C9CC01150A","","x-ray","1.54184","CuKα","","0.0313","0.0286","","","0.0787","0.08","","","","","","1.116","","","","has coordinates","214601","2020-10-21","18:00:00",""
"7123295","21.061","0.002","6.7995","0.0007","26.557","0.003","90","","94.682","0.012","90","","3790.4","0.7","100","2","100","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C15 H26 Br2 N2 O4 -","- C15 H26 Br2 N2 O4 -","- C120 H208 Br16 N16 O32 -","8","1","","Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian","Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production","Chemical Communications","2019","","","","","10.1039/C9CC01150A","","x-ray","0.71073","MoKα","","0.0374","0.031","","","0.0735","0.0772","","","","","","1.087","","","","has coordinates,has disorder","214601","2020-10-21","18:00:00",""
"7123296","20.6558","0.0011","11.4656","0.0003","6.9238","0.0003","90","","114.868","0.006","90","","1487.73","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Br2 N2 O -","- C14 H18 Br2 N2 O -","- C56 H72 Br8 N8 O4 -","4","0.5","","Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian","Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production","Chemical Communications","2019","","","","","10.1039/C9CC01150A","","x-ray","0.71073","MoKα","","0.0496","0.0374","","","0.0809","0.0855","","","","","","1.083","","","","has coordinates","214601","2020-10-21","18:00:00",""
"7123297","44.5365","0.001","14.2236","0.0005","17.4936","0.0004","90","","94.743","0.002","90","","11043.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Br2 N2 O0.5 -","- C13 H14 Br1.996 N2 O0.5 -","- C416 H448 Br63.872 N64 O16 -","32","4","","Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian","Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production","Chemical Communications","2019","","","","","10.1039/C9CC01150A","","x-ray","0.71073","MoKα","","0.1074","0.0524","","","0.1004","0.1179","","","","","","1.042","","","","has coordinates,has disorder","214601","2020-10-21","18:00:00",""
"7123298","36.666","0.004","16.9718","0.0019","9.1422","0.0008","90","","90","","90","","5689.1","1","294.37","0.1","294.37","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","5-bromo-N-(tert-butyl)-2-(pyridin-2-yl)aniline","","- C15 H17 Br N2 -","- C15 H17 Br N2 -","- C240 H272 Br16 N32 -","16","1","","Gou, Xue-Ya; Li, Yuke; Wang, Xin-Gang; Liu, Hong-Chao; Zhang, Bo-Sheng; Zhao, Jiahui; Zhou, Zhao-Zhao; Liang, Yong-Min","Ruthenium-catalyzed ortho-selective CAr-H amination of heteroaryl arenes with di-tert-butyldiaziridinone","Chemical Communications","2019","","","","","10.1039/C9CC02499A","","","0.71","MoKα","","0.0749","0.0545","","","0.1221","0.1349","","","","","","1.003","","","","has coordinates","214602","2020-10-21","18:00:00",""
"7123299","16.2862","0.001","8.994","0.0005","18.4405","0.0012","90","","91.429","0.006","90","","2700.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","","Gou, Xue-Ya; Li, Yuke; Wang, Xin-Gang; Liu, Hong-Chao; Zhang, Bo-Sheng; Zhao, Jiahui; Zhou, Zhao-Zhao; Liang, Yong-Min","Ruthenium-catalyzed ortho-selective CAr-H amination of heteroaryl arenes with di-tert-butyldiaziridinone","Chemical Communications","2019","","","","","10.1039/C9CC02499A","","","0.71073","MoKα","","0.066","0.0518","","","0.1226","0.1338","","","","","","1.054","","","","has coordinates","214602","2020-10-21","18:00:00",""
"7123300","8.3179","0.0006","17.1721","0.0013","19.0317","0.0014","93.773","0.003","91.789","0.003","96.639","0.003","2692.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.4 H45.6 N9.2 O12 -","- C56.482 H44.223 N8.741 O12 -","- C112.964 H88.446 N17.482 O24 -","2","1","","Badjic, Jovica D.; Xie, Han; Zhiquan, Lei; Pavlovic, Radoslav Z.; Gallucci, Judith C.","Stackable Molecular Chairs","Chemical Communications","2019","","","","","10.1039/C9CC01664C","","x-ray","0.71073","MoKα","","0.1185","0.1153","","","0.3032","0.3048","","","","","","1.161","","","","has coordinates","214615","2020-10-21","18:00:00",""
"7123301","11.551","0.002","12.862","0.003","15.172","0.003","89.039","0.008","68.064","0.006","71.586","0.007","1970.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 F6 N2 O S3 -","- C47 H32 F6 N2 O S3 -","- C94 H64 F12 N4 O2 S6 -","2","1","","Ishida, Sanae; Kitagawa, Daichi; Kobatake, Seiya; Kim, Sunnam; Kurihara, Seiji; Fukaminato, Tuyoshi","Efficient “turn-off” fluorescence photoswitching in a highly fluorescent diarylethene single crystal","Chemical Communications","2019","","","","","10.1039/C9CC02441G","","","0.71075","MoKα","","0.0517","0.0358","","","0.089","0.095","","","","","","1.007","","","","has coordinates","214616","2020-10-21","18:00:00",""
"7123302","12.1445","0.0009","14.1014","0.0012","7.3111","0.0005","90","","90","","90","","1252.06","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Mn N4 Ni O6 -","- C4 H12 Mn N4 Ni O6 -","- C16 H48 Mn4 N16 Ni4 O24 -","4","0.5","","Zhang, Wen-Da; Yan, Xiaodong; Li, Tao; Liu, Yong; Fu, Qiu-Ting; Gu, Zhi-Guo","Metal-organic layers derived metal hydroxide nanosheets for highly efficient oxygen evolution","Chemical Communications","2019","","","","","10.1039/C9CC01808E","","","0.71073","MoKα","","0.0634","0.0335","","","0.0582","0.066","","","","","","1.005","","","","has coordinates","214617","2020-10-21","18:00:00",""
"7123303","12.0628","0.0012","13.8833","0.0009","7.1686","0.0005","90","","90","","90","","1200.54","0.17","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Co N4 Ni O6 -","- C4 H12 Co N4 Ni O6 -","- C16 H48 Co4 N16 Ni4 O24 -","4","0.5","","Zhang, Wen-Da; Yan, Xiaodong; Li, Tao; Liu, Yong; Fu, Qiu-Ting; Gu, Zhi-Guo","Metal-organic layers derived metal hydroxide nanosheets for highly efficient oxygen evolution","Chemical Communications","2019","","","","","10.1039/C9CC01808E","","","0.71073","MoKα","","0.0563","0.0303","","","0.0505","0.0576","","","","","","1.042","","","","has coordinates","214617","2020-10-21","18:00:00",""
"7123304","7.548","0.0005","35.339","0.008","9.6434","0.0006","90","","90","","90","","2572.3","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H10 N3 O7 P Zn -","- C10 H10 N3 O7 P Zn -","- C80 H80 N24 O56 P8 Zn8 -","8","1","","Ma, Yu-Juan; Hu, Xiang Ji; Han, Song-De; Pan, Jie; Li, Jinhua; Wang, Guo-Ming","Photochromism and Photomagnetism in Crystalline Hybrid Materials Actuated by Nonphotochromic Units","Chemical Communications","2019","","","","","10.1039/C9CC02229E","","","0.71073","MoKα","","0.0665","0.0431","","","0.073","0.0806","","","","","","1.064","","","","has coordinates","214636","2020-10-21","18:00:00",""
"7123305","7.567","0.0005","36.064","0.002","9.6567","0.0006","90","","90","","90","","2635.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H10 Mn N3 O7 P -","- C10 H10 Mn N3 O7 P -","- C80 H80 Mn8 N24 O56 P8 -","8","1","","Ma, Yu-Juan; Hu, Xiang Ji; Han, Song-De; Pan, Jie; Li, Jinhua; Wang, Guo-Ming","Photochromism and Photomagnetism in Crystalline Hybrid Materials Actuated by Nonphotochromic Units","Chemical Communications","2019","","","","","10.1039/C9CC02229E","","","0.71073","MoKα","","0.0778","0.0575","","","0.1498","0.1652","","","","","","1.041","","","","has coordinates","214636","2020-10-21","18:00:00",""
"7123306","16.915","0.003","29.802","0.005","15.018","0.002","90","","90.9","0.015","90","","7570","2","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H81 N17 O14 S8 -","- C63 H61 N17 O9 S8 -","- C252 H244 N68 O36 S32 -","4","0.5","","Faour, Lara; Adam, Catherine; Gautier, Christelle; Goeb, Sebastien; Allain, Magali; LEVILLAIN, Eric; Canevet, David; Salle, Marc","Redox-controlled hybridization of helical foldamers","Chemical Communications","2019","","","","","10.1039/C9CC02498K","","","1.54184","CuKα","","0.2038","0.1199","","","0.3202","0.3892","","","","","","0.937","","","","has coordinates","214656","2020-10-21","18:00:00",""
"7123307","5.985","0.008","7.965","0.01","10.657","0.014","90","","93.652","0.016","90","","507","1.1","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","","Toda, Yasunori; Tanaka, Shoya; Gomyou, Shuto; Kikuchi, Ayaka; Suga, Hiroyuki","4-Hydroxymethyl-Substituted Oxazolidinone Synthesis by Tetraarylphosphonium Salt-Catalyzed Reactions of Glycidols with Isocyanates","Chemical Communications","2019","","","","","10.1039/C9CC01983A","","","0.71073","MoKα","","0.046","0.0342","","","0.0721","0.0776","","","","","","1.094","","","","has coordinates","214669","2020-10-21","18:00:00",""
"7123308","14.2939","0.0014","12.2676","0.0012","5.9589","0.0006","90","","90","","90","","1044.9","0.18","88","2","88","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Toda, Yasunori; Tanaka, Shoya; Gomyou, Shuto; Kikuchi, Ayaka; Suga, Hiroyuki","4-Hydroxymethyl-Substituted Oxazolidinone Synthesis by Tetraarylphosphonium Salt-Catalyzed Reactions of Glycidols with Isocyanates","Chemical Communications","2019","","","","","10.1039/C9CC01983A","","","0.71073","MoKα","","0.0421","0.0359","","","0.0954","0.0999","","","","","","1.298","","","","has coordinates","214669","2020-10-21","18:00:00",""
"7123309","6.0263","0.0005","16.968","0.0014","18.885","0.0016","90","","90","","90","","1931.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O2 -","- C24 H18 Cl N O2 -","- C96 H72 Cl4 N4 O8 -","4","1","","Bai, Xue-Dan; Zhang, Qing-Feng; He, Ying","Enantioselective iridium catalyzed α-alkylation of azlactones by a tandem asymmetric allylic alkylation/aza-Cope rearrangement","Chemical Communications","2019","","","","","10.1039/C9CC01450K","","","1.54178","CuKα","","0.0491","0.0475","","","0.1185","0.1205","","","","","","1.092","","","","has coordinates","214670","2020-10-21","18:00:00",""
"7123310","14.7014","0.0004","10.3339","0.0003","19.8975","0.0005","90","","92.412","0.002","90","","3020.21","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H90 Ca2 N4 -","- C66 H90 Ca2 N4 -","- C132 H180 Ca4 N8 -","2","0.5","","Hill, Michael; Mahon, Mary F.; Wilson, Andrew; Laurent, Maron; Dinoi, Chiara; Richards, Emma","Reduction of 1,3,5,7-Cyclooctatetraene by a Molecular Calcium Hydride: An Even Electron Polarised Insertion/Deprotonation Mechanism","Chemical Communications","2019","","","","","10.1039/C9CC02418B","","x-ray","1.54184","CuKα","","0.0423","0.0401","","","0.1042","0.1068","","","","","","1.048","","","","has coordinates","214671","2020-10-21","18:00:00",""
"7123311","12.23","0.0004","12.611","0.0004","16.0096","0.0005","76.309","0.001","83.033","0.001","87.242","0.001","2380.85","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H58 Cl4 -","- C57.999 H57.998 Cl3.998 -","- C115.998 H115.996 Cl7.996 -","2","1","","Gu, Yanwei; Tullimi, Yadagiri Gopalakrishna; Feng, Jiaqi; Phan, Hoa; Zeng, Wangdong; Wu, Jishan","Peri-acenoacenes","Chemical Communications","2019","","","","","10.1039/C9CC01986C","","","1.54178","CuKα","","0.0905","0.0883","","","0.2578","0.2602","","","","","","1.005","","","","has coordinates,has disorder","214690","2020-10-21","18:00:00",""
"7123312","13.8073","0.0009","15.3067","0.0011","17.2865","0.0012","90","","97.551","0.004","90","","3621.7","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C96 H96 -","- C96 H96 -","- C192 H192 -","2","0.5","","Gu, Yanwei; Tullimi, Yadagiri Gopalakrishna; Feng, Jiaqi; Phan, Hoa; Zeng, Wangdong; Wu, Jishan","Peri-acenoacenes","Chemical Communications","2019","","","","","10.1039/C9CC01986C","","","1.54178","CuKα","","0.1149","0.0925","","","0.2383","0.2693","","","","","","1.056","","","","has coordinates,has disorder","214690","2020-10-21","18:00:00",""
"7123313","12.3182","0.0005","12.4639","0.0005","14.2206","0.0005","91.288","0.002","105.248","0.002","95.864","0.002","2092.67","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H66 Br2 Cl24 N8 O2 -","- C62.002 H66.002 Br2 Cl24.006 N8 O2 -","- C62.002 H66.002 Br2 Cl24.006 N8 O2 -","1","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0799","0.0624","","","0.1705","0.1859","","","","","","1.034","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123314","15.8633","0.0011","4.62","0.0004","26.788","0.002","90","","100.128","0.002","90","","1932.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Br2 N6 O3 -","- C44 H41 Br2 N6 O3 -","- C88 H82 Br4 N12 O6 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0605","0.0403","","","0.092","0.1001","","","","","","1.065","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123315","15.868","0.0005","4.6477","0.0002","26.6829","0.0009","90","","100.071","0.002","90","","1937.53","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.98 H38.48 Br2 I0.5 N6 O2 -","- C44.9736 H38.478 Br2 I0.4956 N6 O2 -","- C89.9472 H76.956 Br4 I0.9912 N12 O4 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0473","0.0369","","","0.084","0.0889","","","","","","1.05","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123316","15.8204","0.0007","4.6117","0.0002","26.8694","0.0012","90","","100.316","0.002","90","","1928.67","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Br2 N6 O2 -","- C42 H36 Br2 N6 O2 -","- C84 H72 Br4 N12 O4 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0426","0.031","","","0.0729","0.0775","","","","","","1.038","","","","has coordinates","214691","2020-10-21","18:00:00",""
"7123317","15.8777","0.0005","4.6345","0.0002","26.7173","0.0008","90","","99.975","0.002","90","","1936.28","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45.38 H39.38 Br2 N6 O2 -","- C45.378 H39.378 Br2 N6 O2 -","- C90.756 H78.756 Br4 N12 O4 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0547","0.0395","","","0.0882","0.0944","","","","","","1.067","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123318","15.8509","0.0006","4.6392","0.0002","26.7433","0.0009","90","","100.019","0.002","90","","1936.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45.09 H38.58 Br2.52 N6 O2 -","- C45.096 H38.58 Br2.516 N6 O2 -","- C90.192 H77.16 Br5.032 N12 O4 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0729","0.0452","","","0.0971","0.1081","","","","","","1.032","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123319","15.8857","0.0006","4.631","0.0002","26.735","0.001","90","","99.91","0.002","90","","1937.46","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38.5 Br2 F0.5 N6 O2 -","- C45 H38.5 Br2 F0.5 N6 O2 -","- C90 H77 Br4 F N12 O4 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0651","0.0461","","","0.1076","0.1163","","","","","","1.058","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123320","15.8533","0.0006","4.6332","0.0002","26.7661","0.001","90","","100.069","0.002","90","","1935.73","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.14 H38.61 Br2 Cl0.52 N6 O2 -","- C45.132 H38.61 Br2 Cl0.522 N6 O2 -","- C90.264 H77.22 Br4 Cl1.044 N12 O4 -","2","0.5","","Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S.","Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC01725A","","x-ray","0.71073","MoKα","","0.0597","0.0417","","","0.0905","0.0982","","","","","","1.063","","","","has coordinates,has disorder","214691","2020-10-21","18:00:00",""
"7123321","9.8127","0.0003","9.8576","0.0003","12.3569","0.0004","95.274","0.003","96.148","0.003","115.124","0.003","1063.36","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C58 H44 N4 O2 -","2","1","","Haito, Akira; Chatani, Naoto","Rh(I)-Catalyzed [3+2] Annulation Reactions of Cyclopropenones with Amides","Chemical Communications","2019","","","","","10.1039/C9CC02397F","","","1.54184","CuKα","","0.0457","0.0426","","","0.1133","0.1159","","","","","","1.063","","","","has coordinates","214692","2020-10-21","18:00:00",""
"7123322","3.26861","0.00004","9.17461","0.00012","8.53206","0.0001","90","","90","","90","","255.861","0.005","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","ReGaGe2","","- Ga Ge2 Re -","- Ga0.9999 Ge2.0001 Re -","- Ga3.9996 Ge8.0004 Re4 -","4","0.25","","Likhanov, Maxim; Khalaniya, Roman A.; Verchenko, Valeriy; Gippius, Andrei; Zhurenko, Sergei; Tkachev, Alexey V.; Fazlizhanova, Dina I.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.","ReGaGe2: Intermetallic Compound with Semiconducting Properties and Localized Bonding","Chemical Communications","2019","","","","","10.1039/C9CC02563D","powder diffraction","x-ray","1.54187","CuKα","","0.0553","0.0539","","0.0678","0.0676","","","","1.63","","","","","","","has coordinates","214715","2020-10-21","18:00:00",""
"7123323","10.1109","0.0012","10.1109","0.0012","10.1109","0.0012","90","","90","","90","","1033.6","0.2","173","2","173","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Pn","","","- Fe15.46 Ni20.54 S32 -","- Fe15.52 Ni20.44 S32 -","- Fe15.52 Ni20.44 S32 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0136","0.0136","","","0.0365","0.0365","","","","","","1.255","","","","has coordinates,has disorder","264425","2021-04-22","18:03:06",""
"7123324","10.1234","0.0003","10.1234","0.0003","10.1234","0.0003","90","","90","","90","","1037.48","0.05","103","2","103","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Se1","","","- Fe18.63 Ni17.37 S28.1 Se3.9 -","- Fe18.68 Ni17.32 S28.112 Se3.888 -","- Fe18.68 Ni17.32 S28.112 Se3.888 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0105","0.0104","","","0.0229","0.0229","","","","","","1.067","","","","has coordinates,has disorder","264425","2021-04-22","18:03:07",""
"7123325","10.3275","0.0002","10.3275","0.0002","10.3275","0.0002","90","","90","","90","","1101.5","0.04","103","2","103","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Se4","","","- Fe20.12 Ni15.88 S17.14 Se14.86 -","- Fe20.04 Ni15.96 S17.152 Se14.848 -","- Fe20.04 Ni15.96 S17.152 Se14.848 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0213","0.021","","","0.0537","0.0538","","","","","","1.309","","","","has coordinates,has disorder","264425","2021-04-22","18:03:07",""
"7123326","9.3124","0.0009","16.7999","0.0017","26.446","0.002","90","","90","","90","","4137.4","0.7","150","","150","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl5 Ir N4 O2 -","- C42 H41 Cl5 Ir N4 O2 -","- C168 H164 Cl20 Ir4 N16 O8 -","4","1","","Basle, Olivier; Mauduit, Marc; Crassous, Jeanne; Favereau, Ludovic; Miqueu, Karinne; crevisy, C; Dorcet, Vincent; Roisnel, Thierry; Vivès, Thomas; Tarrieu, Robert; Pichon, Delphine; Manguin, Romane","A kinetic resolution strategy for the synthesis of chiral octahedral NHC-iridium(III) catalysts","Chemical Communications","2019","","","","","10.1039/C9CC02434D","","x-ray","0.71073","MoKα","","0.042","0.0413","","","0.1057","0.1061","","","","","","1.092","","","","has coordinates","214749","2020-10-21","18:00:00",""
"7123327","9.2852","0.0006","15.2175","0.0012","24.7997","0.0019","90","","90","","90","","3504.1","0.4","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Ir N4 O3 -","- C40 H41 Ir N4 O3 -","- C160 H164 Ir4 N16 O12 -","4","1","","Basle, Olivier; Mauduit, Marc; Crassous, Jeanne; Favereau, Ludovic; Miqueu, Karinne; crevisy, C; Dorcet, Vincent; Roisnel, Thierry; Vivès, Thomas; Tarrieu, Robert; Pichon, Delphine; Manguin, Romane","A kinetic resolution strategy for the synthesis of chiral octahedral NHC-iridium(III) catalysts","Chemical Communications","2019","","","","","10.1039/C9CC02434D","","x-ray","0.71073","MoKα","","0.0504","0.0346","","","0.0539","0.0578","","","","","","0.958","","","","has coordinates","214749","2020-10-21","18:00:00",""
"7123328","25.3441","0.0017","10.0372","0.0006","11.206","0.0007","90","","93.783","0.002","90","","2844.4","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 N4 O10 -","- C64 H72 N4 O10 -","- C128 H144 N8 O20 -","2","0.5","","Moon, Joong Ho; Manandhar, Prakash; Torabi, Hooman; Rumum, Md Rohman; Mathivathanan, Logesh; Irle, Stephan; Lee, Ka-Hung","Phenyleneethynylene trimer-based rigid-flexible [2+2] macrocycles for nucleic acid labelling in live cells","Chemical Communications","2019","","","","","10.1039/C9CC02162K","","","0.71073","MoKα","","0.3269","0.1007","","","0.1429","0.2005","","","","","","0.997","","","","has coordinates","214767","2020-10-21","18:00:00",""
"7123329","21.4048","0.0003","21.4048","0.0002","21.3901","0.0002","90","","90","","90","","9800.21","0.19","30","","30","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","(bis)tetra(n-butyl)ammonium manganese(II) (tris)dicyanoaurate perchlorate","","- C38 H72 Au3 Cl Mn N8 O4 -","- C38 H72 Au3 Cl0.99975 Mn N8 O3.9984 -","- C304 H576 Au24 Cl7.998 Mn8 N64 O31.9872 -","8","0.5","","Hill, Joshua A.; Murray, Claire A.; Tang, Chiu C.; Thygesen, Peter M. M.; Thompson, Amber L.; Goodwin, Andrew L.","Inorganic co-crystal formation and thermal disproportionation in a dicyanometallate ‘superperovskite’","Chemical Communications","2019","","","","","10.1039/C8CC10277E","","","0.6889","Synchrotron","","0.1799","0.1286","","0.2779","0.1923","0.1662","","","","","","1.0653","","","","has coordinates,has disorder","214768","2020-10-21","18:00:00",""
"7123330","14.669","0.0004","14.669","0.0004","26.8478","0.0019","90","","90","","120","","5003.1","0.4","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C24 H12 O16 Zr3 -","- C24 H12 O16 Zr3 -","- C96 H48 O64 Zr12 -","4","0.166667","","Perfecto-Irigaray, Maite; Beobide, Garikoitz; Castillo, Oscar; da Silva, Ivan; García-Lojo, Daniel; Luque, Antonio; Mendia, Ander; Perez-Yañez, Sonia","[Zr6O4(OH)4(benzene-1,4-dicarboxylato)6]n: a hexagonal polymorph of UiO-66","Chemical Communications","2019","","","","","10.1039/C9CC00802K","powder diffraction","","0.82448","synchrotron","","3.41066","","","","","","","","4.17391","","","","","","","has coordinates","214769","2020-10-21","18:00:00",""
"7123331","8.9265","0.0009","11.5664","0.0009","12.9594","0.0009","90","","90","","90","","1338.03","0.19","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Li, Wei; Wang, Guotong; Lai, Jixing; Li, Shengkun","Multifunctional Isoquinoline-Oxazolines Ligands of Chemical and Biological Importance","Chemical Communications","2019","","","","","10.1039/C9CC01790A","","x-ray","0.71073","MoKα","","0.0557","0.0459","","","0.0965","0.1034","","","","","","1.052","","","","has coordinates","214770","2020-10-21","18:00:00",""
"7123332","14.736","0.0008","11.6168","0.0007","11.8487","0.0007","90","","108.619","0.006","90","","1922.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","1","","Wei, Yun-Long; Chen, Jian-Qiang; Sun, Bo; Xu, PengFei","Synthesis of Indolo[2,1-a]isoquinoline Derivatives via Visible-light-induced Radical Cascade Cyclization Reactions","Chemical Communications","2019","","","","","10.1039/C9CC02388G","","","1.54184","CuKα","","0.0435","0.0375","","","0.0967","0.1017","","","","","","1.07","","","","has coordinates","214771","2020-10-21","18:00:00",""
"7123333","5.859","0.001","22.26","0.005","6.88","0.001","90","","109.237","0.003","90","","847.2","0.3","294","1","294","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 -","- C26 H18 -","- C52 H36 -","2","0.5","","Bedi, Anjan; Carmieli, Raanan; Gidron, Ori","Radical Cations of Twisted Acenes: Chiroptical Properties and Spin Delocalization","Chemical Communications","2019","","","","","10.1039/C9CC02735A","","","0.71073","MoKα","","0.0902","0.0875","","","0.1549","0.1561","","","","","","1.334","","","","has coordinates","214772","2020-10-21","18:00:00",""
"7123334","13.765","0.0008","15.5376","0.0009","17.7625","0.001","82.099","0.003","87.537","0.003","83.277","0.003","3735.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H62 Mo18 N4 O81 P2 -","- Mo18 N4 O83.95 P2 -","- Mo36 N8 O167.9 P4 -","2","1","","Cronin, Lee; Janusson, Eric; Kler, Noel; Vila-Nadal, Laia; Long, Deliang","Synthesis of Polyoxometalate Clusters using Carbohydrates as Reducing Agents Leads to Isomer-Selection","Chemical Communications","2019","","","","","10.1039/C9CC02361E","","","0.71073","MoKα","","0.0465","0.0353","","","0.086","0.0949","","","","","","1.055","","","","has coordinates,has disorder","214800","2020-10-21","18:00:00",""
"7123335","12.7233","0.0009","14.4286","0.001","19.8131","0.0014","101.443","0.004","98.5","0.004","114.254","0.004","3141.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H52 Mo18 N6 O76 P2 -","- Mo18 N6 O72.9 P2 -","- Mo36 N12 O145.8 P4 -","2","1","","Cronin, Lee; Janusson, Eric; Kler, Noel; Vila-Nadal, Laia; Long, Deliang","Synthesis of Polyoxometalate Clusters using Carbohydrates as Reducing Agents Leads to Isomer-Selection","Chemical Communications","2019","","","","","10.1039/C9CC02361E","","","0.71073","MoKα","","0.052","0.0366","","","0.0841","0.0932","","","","","","1.036","","","","has coordinates,has disorder","214800","2020-10-21","18:00:00",""
"7123336","7.814","0.002","11.758","0.003","15.119","0.004","90","","102.668","0.006","90","","1355.3","0.6","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N8 -","- C4 H2 N8 -","- C32 H16 N64 -","8","2","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.0634","0.044","","","0.1263","0.1432","","","","","","1.024","","","","has coordinates","214801","2020-10-21","18:00:00",""
"7123337","5.9556","0.0006","27.8","0.003","6.8014","0.0006","90","","98.966","0.003","90","","1112.32","0.19","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H10 N12 O3 -","- C4 H10 N12 O3 -","- C16 H40 N48 O12 -","4","1","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.0905","0.049","","","0.0767","0.0869","","","","","","1.041","","","","has coordinates","214801","2020-10-21","18:00:00",""
"7123338","6.8713","0.0014","8.9648","0.0019","16.596","0.004","90","","93.027","0.004","90","","1020.9","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N11 O -","- C5 H7 N11 O -","- C20 H28 N44 O4 -","4","1","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.0489","0.0396","","","0.1022","0.109","","","","","","1.043","","","","has coordinates","214801","2020-10-21","18:00:00",""
"7123339","6.2321","0.0008","5.9535","0.0007","29.279","0.004","90","","93.811","0.005","90","","1083.9","0.2","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O4 -","- C6 H8 N8 O4 -","- C24 H32 N32 O16 -","4","1","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.0949","0.053","","","0.0959","0.1095","","","","","","1.042","","","","has coordinates","214801","2020-10-21","18:00:00",""
"7123340","27.752","0.005","6.2922","0.0014","6.9744","0.0016","90","","90","","90","","1217.9","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H9 N11 O3 -","- C7 H9 N11 O3 -","- C28 H36 N44 O12 -","4","0.5","","wang, qian; Shao, Yanli; Lu, Ming","Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC01777A","","","0.71073","MoKα","","0.1279","0.0721","","","0.1555","0.1852","","","","","","1.06","","","","has coordinates,has disorder","214801","2020-10-21","18:00:00",""
"7123341","13.4449","0.0007","13.4449","0.0007","24.078","0.002","90","","90","","90","","4352.5","0.5","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H35 N7 Ni O6 -","- C16 H35 N7 Ni O6 -","- C128 H280 N56 Ni8 O48 -","8","2","","Zhang, Lu-Hua; Yu, Fengshou; Shi, Yumeng; Li, Fei; Li, Henan","Base-Enhanced Electrochemical Water Oxidation by a Nickel Complex in Neutral Aqueous Solution","Chemical Communications","2019","","","","","10.1039/C9CC01865D","","","0.71073","MoKα","","0.0466","0.0401","","","0.0968","0.0994","","","","","","1.03","","","","has coordinates","214819","2020-10-21","18:00:00",""
"7123342","25.3135","0.0005","15.1618","0.0004","19.8648","0.0005","90","","95.035","0.001","90","","7594.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Y@C2v(9)-C82 Ni(OEP) 2(C6H6)","Y@C2v(9)-C82 Ni(OEP) 2(C6H6)","","- C130 H56 N4 Ni Y -","- C130 H56 N4 Ni Y0.9998 -","- C520 H224 N16 Ni4 Y3.9992 -","4","0.5","","Lu, Xing; Bao, Lipiao; Wang, Bingzhe; Yu, Pengyuan; Huang, Chenli; Pan, Changwang; Fang, Hongyun; Akasaka, Takeshi; Guldi, Dirk M.","Intermolecular packing and charge transfer in metallofullerene/porphyrin cocrystals","Chemical Communications","2019","","","","","10.1039/C9CC02095K","","","0.6525","synchrotron","","0.0761","0.0691","","","0.1955","0.2022","","","","","","1.052","","","","has coordinates,has disorder","214820","2020-10-21","18:00:00",""
"7123343","26.7012","0.0015","17.2044","0.001","17.8379","0.001","90","","107.076","0.002","90","","7833.1","0.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Y@C2v(9)-C82-Ni(OEP)","Y@C2v(9)-C82-Ni(OEP)","","- C256 H106 N8 Ni2 S4 Y2 -","- C256 H106 N8 Ni2 S4 Y2.0002 -","- C512 H212 N16 Ni4 S8 Y4.0004 -","2","0.25","","Lu, Xing; Bao, Lipiao; Wang, Bingzhe; Yu, Pengyuan; Huang, Chenli; Pan, Changwang; Fang, Hongyun; Akasaka, Takeshi; Guldi, Dirk M.","Intermolecular packing and charge transfer in metallofullerene/porphyrin cocrystals","Chemical Communications","2019","","","","","10.1039/C9CC02095K","","","0.71073","MoKα","","0.1823","0.1346","","","0.3585","0.3993","","","","","","1.138","","","","has coordinates,has disorder","214820","2020-10-21","18:00:00",""
"7123344","43.04","0.05","9.038","0.009","20.98","0.02","90","","114.772","0.014","90","","7410","13","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H172 N4 O24 Si4 -","- C126.506 H166.024 N4 O22.506 Si4 -","- C253.012 H332.048 N8 O45.012 Si8 -","2","0.5","","Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua","Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry","Chemical Communications","2019","","","","","10.1039/C9CC02103E","","","0.71073","MoKα","","0.2062","0.1748","","","0.4365","0.4671","","","","","","1.345","","","","has coordinates,has disorder","214830","2020-10-21","18:00:00",""
"7123345","15.993","0.007","21.486","0.009","27.205","0.011","90","","107.14","0.02","90","","8933","7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H101 N2 O17.5 S7 Si2 -","- C78.024 H90.072 N2 O19.133 S6.012 Si2 -","- C312.096 H360.288 N8 O76.532 S24.048 Si8 -","4","1","","Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua","Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry","Chemical Communications","2019","","","","","10.1039/C9CC02103E","","","0.71073","MoKα","","0.2191","0.1894","","","0.4934","0.5169","","","","","","1.784","","","","has coordinates,has disorder","214830","2020-10-21","18:00:00",""
"7123346","19.998","0.004","34.746","0.006","24.908","0.005","90","","101.563","0.003","90","","16956","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C166 H206 N2 Na6 O56 Si6 -","- C163.305 H154.357 N1.747 Na6 O58.0395 Si6 -","- C653.22 H617.428 N6.988 Na24 O232.158 Si24 -","4","1","","Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua","Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry","Chemical Communications","2019","","","","","10.1039/C9CC02103E","","","0.71073","MoKα","","0.1253","0.0964","","","0.2547","0.2819","","","","","","1.082","","","","has coordinates,has disorder","214830","2020-10-21","18:00:00",""
"7123347","9.503","0.006","10.244","0.007","17.165","0.011","74.55","0.02","87.703","0.015","79.93","0.02","1585.8","1.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","5-(4-methoxyphenyl)-1,7,9-triphenyl-3-tosyloctahydro-1H-purine","","- C37 H36 N4 O3 S -","- C37 H36 N4 O3 S -","- C74 H72 N8 O6 S2 -","2","1","","Ge, Jiemin; Wu, Xueli; Bao, Xiaoguang","Rhodium(II)-catalyzed annulation of N-sulfonyl-1,2,3-triazoles with 1,3,5-triazinanes to produce octahydro-1H-purine derivatives: A combined experimental and computational study","Chemical Communications","2019","","","","","10.1039/C9CC02294E","","","0.71073","MoKα","","0.0994","0.0583","","","0.1447","0.1646","","","","","","1.035","","","","has coordinates","214831","2020-10-21","18:00:00",""
"7123348","23.73549","0.00011","16.75238","0.00008","4.78477","0.00002","90","","90","","90","","1902.55","0.015","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","CapNFF","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Hamley, Ian; Chippindale, ann M; Castelletto, Valeria; Barnett, Sarah; Hasan, Abshar; Lau, Aaron","Crystallization and Lamellar Nanosheet Formation of an Aromatic Dipeptoid","Chemical Communications","2019","","","","","10.1039/C9CC02335F","","","0.6889","Synchrotron","","0.048","0.0384","","","0.0942","0.0978","","","","","","0.988","","","","has coordinates","214832","2020-10-21","18:00:00",""
"7123349","10.3313","0.0006","10.8088","0.0006","29.7134","0.0018","90","","93.664","0.001","90","","3311.3","0.3","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 N4 -","- C44 H24 N4 -","- C176 H96 N16 -","4","1","","Dorca, Yeray; Naranjo, Cristina; Delgado-Martínez, Patricia; Gómez, Rafael; Sanchez, Luis","Planarization of tetracarboxamides. Tuning the self-assembly of polycyclic aromatic hydrocarbons","Chemical Communications","2019","","","","","10.1039/C9CC02000D","","","0.71073","MoKα","","0.1698","0.0533","","","0.107","0.1537","","","","","","0.988","","","","has coordinates","214833","2020-10-21","18:00:00",""
"7123350","27.376","0.003","11.9418","0.0012","16.4539","0.0016","90","","94.952","0.003","90","","5359","1","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H46 Cu F6 N6 O8 P -","- C60 H46 Cu F6 N6 O8 P -","- C240 H184 Cu4 F24 N24 O32 P4 -","4","0.5","","Yee, Chi-Chung; Ng, Antony, Wing Hung; Au-Yeung, Ho Yu","Control over the macrocyclisation pathway and product topology in a copper-templated catenane synthesis","Chemical Communications","2019","","","","","10.1039/C9CC02263E","","","0.71073","MoKα","","0.0625","0.0473","","","0.1216","0.1325","","","","","","1.034","","","","has coordinates,has disorder","214834","2020-10-21","18:00:00",""
"7123351","4.5392","0.0004","4.5392","0.0004","11.8347","0.0011","90","","90","","120","","211.18","0.03","100","2","100","2","","","","","","","","1","R -3 m","-R 3 2""","166","","","","- Bi -","- Bi -","- Bi6 -","6","","","Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V.","From a volatile molecular precursor to twin-free single crystals of bismuth","Chemical Communications","2019","","","","","10.1039/C9CC02820J","","","0.71073","MoKα","","0.0104","0.0104","","","0.0258","0.0258","","","","","","1.227","","","","has coordinates","214853","2020-10-21","18:00:00",""
"7123352","4.5481","0.0005","4.5481","0.0005","11.86","0.0012","90","","90","","120","","212.46","0.04","298","2","298","2","","","","","","","","1","R -3 m","-R 3 2""","166","","","","- Bi -","- Bi -","- Bi6 -","6","","","Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V.","From a volatile molecular precursor to twin-free single crystals of bismuth","Chemical Communications","2019","","","","","10.1039/C9CC02820J","","","0.71073","MoKα","","0.0122","0.012","","","0.0286","0.0287","","","","","","1.429","","","","has coordinates","214853","2020-10-21","18:00:00",""
"7123353","11.0566","0.0003","12.9924","0.0003","13.9528","0.0003","102.601","0.001","107.768","0.001","112.979","0.001","1622.03","0.07","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N4 Ni O2 -","- C38 H42 N4 Ni O2 -","- C76 H84 N8 Ni2 O4 -","2","1","","Herasymchuk, Khrystyna; Miller, Jessica J.; MacNeil, Gregory; Sergeenko, Ania; McKearney, Declan; Goeb, Sebastien; Salle, Marc; Leznoff, Daniel B.; Storr, Tim","Coordination-driven assembly of a supramolecular square and oxidation to a tetra-ligand radical species","Chemical Communications","2019","","","","","10.1039/C9CC02320H","","","1.54178","CuKα","","0.0771","0.074","","","0.1966","0.1983","","","","","","1.25","","","","has coordinates,has disorder","214854","2020-10-21","18:00:00",""
"7123354","25.4598","0.0013","26.2974","0.0014","31.8554","0.0017","90.284","0.003","92.982","0.003","98.728","0.003","21050.7","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H84 N22 O28 Zn9 -","- C154 H84 N22 O28 Zn9 -","- C308 H168 N44 O56 Zn18 -","2","1","","Wang, Xiao-Ning; Li, Jiangli; Zhao, Yu-Meng; Pang, Jiandong; Li, Bao; Zhang, Tianle; Zhou, Hong-Cai","Structural Regulation of Zinc-Porphyrin Frameworks via the Auxiliary Nitrogen-containing Ligands towards the Selective Adsorption of Cationic Dyes","Chemical Communications","2019","","","","","10.1039/C9CC02405K","","","1.54178","CuKα","","0.1374","0.0897","","","0.24","0.2594","","","","","","1.084","","","","has coordinates","214855","2020-10-21","18:00:00",""
"7123355","19.094","0.0016","24.29","0.002","24.738","0.002","61.042","0.005","73.947","0.006","82.746","0.006","9647","1.5","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C168 H120 N48 O36 Zn13 -","- C168 H120 N48 O36 Zn13 -","- C168 H120 N48 O36 Zn13 -","1","0.5","","Wang, Xiao-Ning; Li, Jiangli; Zhao, Yu-Meng; Pang, Jiandong; Li, Bao; Zhang, Tianle; Zhou, Hong-Cai","Structural Regulation of Zinc-Porphyrin Frameworks via the Auxiliary Nitrogen-containing Ligands towards the Selective Adsorption of Cationic Dyes","Chemical Communications","2019","","","","","10.1039/C9CC02405K","","","1.54184","CuKα","","0.1576","0.1128","","","0.3024","0.3258","","","","","","1.138","","","","has coordinates","214855","2020-10-21","18:00:00",""
"7123356","17.2954","0.0007","33.2059","0.0011","33.2059","0.0011","90","","90","","90","","19070.5","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C54 H28 N7 O8 Zn3 -","- C54 H28 N7 O8 Zn3 -","- C432 H224 N56 O64 Zn24 -","8","1","","Wang, Xiao-Ning; Li, Jiangli; Zhao, Yu-Meng; Pang, Jiandong; Li, Bao; Zhang, Tianle; Zhou, Hong-Cai","Structural Regulation of Zinc-Porphyrin Frameworks via the Auxiliary Nitrogen-containing Ligands towards the Selective Adsorption of Cationic Dyes","Chemical Communications","2019","","","","","10.1039/C9CC02405K","","","1.54178","CuKα","","0.1897","0.1358","","","0.3669","0.4073","","","","","","1.315","","","","has coordinates,has disorder","214855","2020-10-21","18:00:00",""
"7123357","19.6416","0.0003","19.6416","0.0003","23.8212","0.0006","90","","90","","120","","7958.8","0.3","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C129 H144 N6 O6 -","- C129 H144 N6 O6 -","- C387 H432 N18 O18 -","3","0.5","","Hooper, Reagan; Mason, Alexander; Montgomery, Maleek; Clinebell, Braden; Gaynor, Ryan; McMillen, Colin; Tapu, Daniela","A stable Cerberus tris(maloNHC) and its coinage metal complexes","Chemical Communications","2019","","","","","10.1039/C9CC01892A","","","1.54178","CuKα","","0.08","0.0628","","","0.1494","0.1619","","","","","","1.066","","","","has coordinates,has disorder","214856","2020-10-21","18:00:00",""
"7123358","36.8106","0.0016","21.7138","0.0016","23.491","0.0016","90","","125.324","0.003","90","","15319.5","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C174 H174 Ag3 N6 O6 P3 -","- C174 H174 Ag3 N6 O6 P3 -","- C696 H696 Ag12 N24 O24 P12 -","4","0.5","","Hooper, Reagan; Mason, Alexander; Montgomery, Maleek; Clinebell, Braden; Gaynor, Ryan; McMillen, Colin; Tapu, Daniela","A stable Cerberus tris(maloNHC) and its coinage metal complexes","Chemical Communications","2019","","","","","10.1039/C9CC01892A","","","0.71073","MoKα","","0.0708","0.0588","","","0.1353","0.147","","","","","","1.129","","","","has coordinates,has disorder","214856","2020-10-21","18:00:00",""
"7123359","21.1658","0.0011","21.5918","0.0011","22.3912","0.0012","62.407","0.002","66.748","0.002","60.859","0.002","7729.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C177 H177 Au3 N6 O6 P3 -","- C177 H177 Au3 N6 O6 P3 -","- C354 H354 Au6 N12 O12 P6 -","2","1","","Hooper, Reagan; Mason, Alexander; Montgomery, Maleek; Clinebell, Braden; Gaynor, Ryan; McMillen, Colin; Tapu, Daniela","A stable Cerberus tris(maloNHC) and its coinage metal complexes","Chemical Communications","2019","","","","","10.1039/C9CC01892A","","","0.71073","MoKα","","0.0919","0.0796","","","0.1873","0.1959","","","","","","1.172","","","","has coordinates,has disorder","214856","2020-10-21","18:00:00",""
"7123360","11.3416","0.0005","21.5398","0.0008","7.7573","0.0003","90","","90","","90","","1895.08","0.13","150","2","150","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C34 H42 Dy F7 N8 O7 S2 -","- C34 H42 Dy F7 N8 O7 S2 -","- C68 H84 Dy2 F14 N16 O14 S4 -","2","0.5","","Murrie, Mark; Canaj, Angelos; Singh, Mukesh Kumar; Regincós Martí, Emma; Damjanovic, Marko; Wilson, Claire; Cespedes, Oscar; Wernsdorfer, Wolfgang; Rajaraman, Gopalan","Boosting axiality in stable high-coordinate Dy(III) single-molecule magnets","Chemical Communications","2019","","","","","10.1039/C9CC00965E","","","0.71073","MoKα","","0.0227","0.0212","","","0.0477","0.0485","","","","","","1.014","","","","has coordinates","214857","2020-10-21","18:00:00",""
"7123361","11.7725","0.0007","6.3142","0.0003","21.5298","0.0013","90","","94.186","0.002","90","","1596.13","0.16","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N12 -","- C36 H36 N12 -","- C72 H72 N24 -","2","0.5","","Murrie, Mark; Canaj, Angelos; Singh, Mukesh Kumar; Regincós Martí, Emma; Damjanovic, Marko; Wilson, Claire; Cespedes, Oscar; Wernsdorfer, Wolfgang; Rajaraman, Gopalan","Boosting axiality in stable high-coordinate Dy(III) single-molecule magnets","Chemical Communications","2019","","","","","10.1039/C9CC00965E","","","0.71073","MoKα","","0.0872","0.05","","","0.1091","0.1263","","","","","","1.026","","","","has coordinates","214857","2020-10-21","18:00:00",""
"7123362","21.592","0.003","11.4165","0.001","15.9216","0.0016","90","","90","","90","","3924.8","0.8","150","","150","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C34 H42 F7 La N8 O7 S2 -","- C34 H42 F7 La N8 O7 S2 -","- C136 H168 F28 La4 N32 O28 S8 -","4","0.5","","Murrie, Mark; Canaj, Angelos; Singh, Mukesh Kumar; Regincós Martí, Emma; Damjanovic, Marko; Wilson, Claire; Cespedes, Oscar; Wernsdorfer, Wolfgang; Rajaraman, Gopalan","Boosting axiality in stable high-coordinate Dy(III) single-molecule magnets","Chemical Communications","2019","","","","","10.1039/C9CC00965E","","","0.71073","MoKα","","0.0404","0.0312","","","0.0762","0.0865","","","","","","1.027","","","","has coordinates","214857","2020-10-21","18:00:00",""
"7123363","15.6208","0.0015","11.2655","0.0007","9.9974","0.0008","90","","90","","90","","1759.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H20 F2 N2 O3 -","- C17 H20 F2 N2 O3 -","- C68 H80 F8 N8 O12 -","4","1","","Yang, Zi; Song, Zhenyu; Jie, Lianghua; Wang, Lianhui; Cui, Xiuling","Iridium(III)-catalysed annulation of pyrazolidinones with propiolates: a facile route to pyrazolo[1,2-a] indazoles","Chemical Communications","2019","","","","","10.1039/C9CC02232E","","x-ray","0.71073","MoKα","","0.0981","0.0553","","","0.1483","0.1764","","","","","","1.028","","","","has coordinates,has disorder","214858","2020-10-21","18:00:00",""
"7123364","10.49949","0.00019","15.8323","0.0003","35.2366","0.0006","90","","90","","90","","5857.42","0.18","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H33 B F4 N O4 P -","- C30 H31 B F4 N O4 P -","- C240 H248 B8 F32 N8 O32 P8 -","8","1","","Matsuya, Yuji; Kohyama, Aki; Koresawa, Eri; Tsuge, Kiyoshi","Facile o-Quinodimethane Formation from Benzocyclobutenes Triggered by Staudinger Reaction at Ambient Temperature","Chemical Communications","2019","","","","","10.1039/C9CC01679A","","","1.54187","CuKα","","0.097","0.0687","","","0.1841","0.2004","","","","","","1.041","","","","has coordinates","214859","2020-10-21","18:00:00",""
"7123365","7.9308","0.00014","13.1455","0.0002","17.425","0.0003","76.619","0.005","88.302","0.006","73.541","0.005","1693.64","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 B F4 N O3 P -","- C37 H31 B F4 N O3 P -","- C74 H62 B2 F8 N2 O6 P2 -","2","1","","Matsuya, Yuji; Kohyama, Aki; Koresawa, Eri; Tsuge, Kiyoshi","Facile o-Quinodimethane Formation from Benzocyclobutenes Triggered by Staudinger Reaction at Ambient Temperature","Chemical Communications","2019","","","","","10.1039/C9CC01679A","","","1.54187","CuKα","","0.0713","0.0542","","","0.1549","0.1644","","","","","","1.081","","","","has coordinates","214859","2020-10-21","18:00:00",""
"7123366","16.191","0.0003","26.5776","0.0007","28.8827","0.0006","90","","105.454","0.001","90","","11979.4","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H160 O13 Re2 Sm4 -","- C124 H160 O13 Re2 Sm4 -","- C496 H640 O52 Re8 Sm16 -","4","1","","Yadav, Ravi; Simler, Thomas; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Rhenium is different: CO tetramerization induced by a divalent lanthanide complex in rhenium carbonyls","Chemical Communications","2019","","","","","10.1039/C9CC02350J","","x-ray","0.71073","MoKα","","0.0576","0.045","","","0.1128","0.1231","","","","","","1.048","","","","has coordinates,has disorder","214860","2020-10-21","18:00:00",""
"7123367","12.3657","0.0003","14.0273","0.0003","19.3568","0.0005","89.302","0.002","74.549","0.002","78.249","0.002","3165.26","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H86 Mn N4 O6 Sm -","- C66 H86 Mn N4 O6 Sm -","- C132 H172 Mn2 N8 O12 Sm2 -","2","1","","Yadav, Ravi; Simler, Thomas; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Rhenium is different: CO tetramerization induced by a divalent lanthanide complex in rhenium carbonyls","Chemical Communications","2019","","","","","10.1039/C9CC02350J","","x-ray","0.71073","MoKα","","0.0489","0.0342","","","0.0802","0.084","","","","","","0.978","","","","has coordinates,has disorder","214860","2020-10-21","18:00:00",""
"7123368","16.7981","0.0004","19.3819","0.0005","19.0314","0.0006","90","","96.237","0.002","90","","6159.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H86 N4 O5 Re Sm -","- C65 H86 N4 O5 Re Sm -","- C260 H344 N16 O20 Re4 Sm4 -","4","1","","Yadav, Ravi; Simler, Thomas; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Rhenium is different: CO tetramerization induced by a divalent lanthanide complex in rhenium carbonyls","Chemical Communications","2019","","","","","10.1039/C9CC02350J","","x-ray","0.71073","MoKα","","0.0512","0.0333","","","0.0786","0.0836","","","","","","0.965","","","","has coordinates,has disorder","214860","2020-10-21","18:00:00",""
"7123369","12.1458","0.0006","13.5433","0.0007","19.7641","0.001","90.345","0.004","96.876","0.004","98.184","0.004","3193.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69.5 H90 Mn N4 O6 Yb -","- C69.5 H90 Mn N4 O6 Yb -","- C139 H180 Mn2 N8 O12 Yb2 -","2","1","","Yadav, Ravi; Simler, Thomas; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Rhenium is different: CO tetramerization induced by a divalent lanthanide complex in rhenium carbonyls","Chemical Communications","2019","","","","","10.1039/C9CC02350J","","x-ray","0.71073","MoKα","","0.04","0.0305","","","0.0665","0.0697","","","","","","1.024","","","","has coordinates,has disorder","214860","2020-10-21","18:00:00",""
"7123370","12.6229","0.0004","12.8766","0.0004","20.642","0.0007","101.808","0.003","94.242","0.003","90.676","0.003","3273.91","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C128 H176 Mn4 O27 Sm4 -","- C128 H176 Mn4 O27 Sm4 -","- C128 H176 Mn4 O27 Sm4 -","1","0.5","","Yadav, Ravi; Simler, Thomas; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Rhenium is different: CO tetramerization induced by a divalent lanthanide complex in rhenium carbonyls","Chemical Communications","2019","","","","","10.1039/C9CC02350J","","x-ray","0.71073","MoKα","","0.0806","0.0446","","","0.0986","0.1084","","","","","","0.953","","","","has coordinates,has disorder","214860","2020-10-21","18:00:00",""
"7123371","12.5684","0.0014","14.6714","0.0016","21.923","0.002","90","","90","","90","","4042.5","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 F2 N4 O6 Rh -","- C42 H29 F2 N4 O6 Rh -","- C168 H116 F8 N16 O24 Rh4 -","4","1","","Wang, Wei; Xia, Xiaohan; Bian, Guang-ling; Song, Ling","A Chiral Sensor for Recognition of Varied Amines Based on 19F NMR Signals of new designed Rhodium Complexes","Chemical Communications","2019","","","","","10.1039/C9CC01942A","","","0.71073","MoKα","","0.1428","0.0736","","","0.138","0.1609","","","","","","0.898","","","","has coordinates","214861","2020-10-21","18:00:00",""
"7123372","12.66958","0.00011","14.47355","0.00014","21.312","0.0002","90","","90","","90","","3908.06","0.06","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 F2 N4 O6 Rh -","- C42 H29 F2 N4 O6 Rh -","- C168 H116 F8 N16 O24 Rh4 -","4","1","","Wang, Wei; Xia, Xiaohan; Bian, Guang-ling; Song, Ling","A Chiral Sensor for Recognition of Varied Amines Based on 19F NMR Signals of new designed Rhodium Complexes","Chemical Communications","2019","","","","","10.1039/C9CC01942A","","","1.54178","CuKα","","0.0217","0.0214","","","0.0542","0.0548","","","","","","1.044","","","","has coordinates","214861","2020-10-21","18:00:00",""
"7123373","12.7903","0.0003","14.1652","0.0005","15.71","0.0006","108.488","0.003","108.523","0.003","104.203","0.003","2362.4","0.18","150","0.1","150","0.1","","","","","","","","8","P 1","P 1","1","","","","- C81 H62 B2 Cl2 F12 N8 O4 Rh2 -","- C81 H62 B2 Cl2 F12 N8 O4 Rh2 -","- C81 H62 B2 Cl2 F12 N8 O4 Rh2 -","1","1","","Wang, Wei; Xia, Xiaohan; Bian, Guang-ling; Song, Ling","A Chiral Sensor for Recognition of Varied Amines Based on 19F NMR Signals of new designed Rhodium Complexes","Chemical Communications","2019","","","","","10.1039/C9CC01942A","","","1.54184","CuKα","","0.0996","0.0947","","","0.249","0.2581","","","","","","1.124","","","","has coordinates","214861","2020-10-21","18:00:00",""
"7123374","51.949","0.004","51.949","0.004","31.812","0.002","90","","90","","120","","74349","9","120","2","120","","","","","","","","","4","R 3","R 3","146","","","","- Cu17 Ga22 S88 Sn17 -","- Cu17 Ga22 S88 Sn17 -","- Cu153 Ga198 S792 Sn153 -","9","","","Zhang, Jiaxu; Wang, Xiang; Lv, Jing; Li, Dong-Sheng; Wu, Tao","A multivalent mixed-metal strategy for single-Cu±ion-bridged cluster-based chalcogenide open frameworks for sensitive nonenzymatic detection on glucose","Chemical Communications","2019","","","","","10.1039/C9CC02905B","","","0.71073","MoKα","","0.12","0.0852","","","0.2312","0.2741","","","","","","1.012","","","","has coordinates","214862","2020-10-21","18:00:00",""
"7123375","25.2441","0.0012","25.2441","0.0012","18.8435","0.0011","90","","90","","90","","12008.3","1.1","100","2","99.99","","","","","","","","","4","I 41/a m d","-I 4bd 2","141","","","","- Cu12 Ga24 S70 Sn8 -","- Cu12 Ga24 S70 Sn8 -","- Cu24 Ga48 S140 Sn16 -","2","","","Zhang, Jiaxu; Wang, Xiang; Lv, Jing; Li, Dong-Sheng; Wu, Tao","A multivalent mixed-metal strategy for single-Cu±ion-bridged cluster-based chalcogenide open frameworks for sensitive nonenzymatic detection on glucose","Chemical Communications","2019","","","","","10.1039/C9CC02905B","","","0.71073","MoKα","","0.062","0.051","","","0.1825","0.2108","","","","","","1.111","","","","has coordinates","214862","2020-10-21","18:00:00",""
"7123376","6.8449","0.0001","13.5001","0.0001","29.2689","0.0003","90","","90","","90","","2704.65","0.05","150","","150","","","","","","","","from U of Wollongong","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 F N O3 S -","- C28 H40 F N O3 S -","- C112 H160 F4 N4 O12 S4 -","4","1","","Pyne, Stephen G.; Chervis, Philip; Wangngae, Sirilak; Thaima, Thanaphat; Carroll, Anthony; Willis, Anthony; Pattarawarapan, Mookda","Highly diastereoselective synthesis of enantioenriched anti-alpha-allyl-beta-fluoroamines","Chemical Communications","2019","","","","","10.1039/C9CC02765C","","x-ray","1.54184","CuKα","","0.0439","0.0423","","0.1133","0.1113","0.1133","","","","","","0.9997","","","","has coordinates","214884","2020-10-21","18:00:00",""
"7123377","8.0413","0.0003","11.5956","0.0003","10.5319","0.0003","90","","112.192","0.004","90","","909.29","0.06","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C20 H22 F N O2 S -","- C20 H22 F N O2 S -","- C40 H44 F2 N2 O4 S2 -","2","1","","Pyne, Stephen G.; Chervis, Philip; Wangngae, Sirilak; Thaima, Thanaphat; Carroll, Anthony; Willis, Anthony; Pattarawarapan, Mookda","Highly diastereoselective synthesis of enantioenriched anti-alpha-allyl-beta-fluoroamines","Chemical Communications","2019","","","","","10.1039/C9CC02765C","","x-ray","0.71073","MoKα","","0.0308","0.0294","","0.0735","0.0723","0.0735","","","","","","1.0017","","","","has coordinates","214884","2020-10-21","18:00:00",""
"7123378","30.2149","0.0014","6.702","0.0003","23.0726","0.001","90","","113.218","0.002","90","","4293.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N Si -","- C24 H27 N Si -","- C192 H216 N8 Si8 -","8","1","","Sun, Qiao-Ying; Li, Zhao; Xu, Zheng; Zheng, Zhan-Jiang; Cao, Jian; Yang, Ke-Fang; Cui, Yu-Ming; Xu, Li-Wen","PdCl2(CH3CN)2-catalyzed regioselective C-H olefinations of 2-amino biaryls with vinylsilanes as unactivated alkenes","Chemical Communications","2019","","","","","10.1039/C9CC02199J","","","0.71073","MoKα","","0.0988","0.0529","","","0.1291","0.1542","","","","","","1.004","","","","has coordinates","214885","2020-10-21","18:00:00",""
"7123379","8.8965","0.0016","16.17","0.003","15.312","0.003","90","","98.429","0.006","90","","2178.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 B F5 N -","- C18 H39 B F5 N -","- C72 H156 B4 F20 N4 -","4","1","","Hennig, Philipp T.; Sprenger, Jan Arke Peter; Schneider, Leon; Ignat'ev, Nikolai; Finze, Maik","The pentafluoroethyltrihydridoborate anion: From shock sensitive salts to stable room temperature ionic liquids","Chemical Communications","2019","","","","","10.1039/C9CC02935D","","","0.71073","MoKα","","0.0595","0.0468","","","0.1145","0.1241","","","","","","1.032","","","","has coordinates,has disorder","214886","2020-10-21","18:00:00",""
"7123380","9.7492","0.001","8.9386","0.0009","22.528","0.003","90","","93.546","0.003","90","","1959.4","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H6 B F5 N2 -","- C8 H6 B F5 N2 -","- C64 H48 B8 F40 N16 -","8","1","","Hennig, Philipp T.; Sprenger, Jan Arke Peter; Schneider, Leon; Ignat'ev, Nikolai; Finze, Maik","The pentafluoroethyltrihydridoborate anion: From shock sensitive salts to stable room temperature ionic liquids","Chemical Communications","2019","","","","","10.1039/C9CC02935D","","","0.71073","MoKα","","0.0428","0.0331","","","0.0852","0.0891","","","","","","1.063","","","","has coordinates","214886","2020-10-21","18:00:00",""
"7123381","8.943","0.003","10.057","0.004","10.567","0.004","96.064","0.009","101.313","0.009","95.583","0.01","919.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 B F5 P -","- C20 H17 B F5 P -","- C40 H34 B2 F10 P2 -","2","1","","Hennig, Philipp T.; Sprenger, Jan Arke Peter; Schneider, Leon; Ignat'ev, Nikolai; Finze, Maik","The pentafluoroethyltrihydridoborate anion: From shock sensitive salts to stable room temperature ionic liquids","Chemical Communications","2019","","","","","10.1039/C9CC02935D","","","0.71073","MoKα","","0.0803","0.0407","","","0.0897","0.0978","","","","","","1.065","","","","has coordinates","214886","2020-10-21","18:00:00",""
"7123382","11.7444","0.0002","12.6901","0.0002","24.3021","0.0005","90","","90.7365","0.0017","90","","3621.63","0.11","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H53 N3 O Si -","- C41 H53 N3 O Si -","- C164 H212 N12 O4 Si4 -","4","2","","Zhao, Tingxing; Qin, Dekun; Han, Weiguo; Yang, Shiping; Feng, Boya; Gao, Ge; You, Jingsong","Co(III)-Catalyzed Z-Selective Oxidative C‒H/C‒H Cross-Coupling of Alkenes with Triisopropylsilylacetylene","Chemical Communications","2019","","","","","10.1039/C9CC02347J","","x-ray","1.54184","CuKα","","0.0779","0.0742","","","0.2","0.2066","","","","","","1.03","","","","has coordinates","214900","2020-10-21","18:00:00",""
"7123383","13.1653","0.0012","27.523","0.002","8.5035","0.0007","90","","102.221","0.009","90","","3011.4","0.4","173","0.1","173","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","triangeliphthalide A","","- C36 H40 O6 -","- C36 H40 O6 -","- C144 H160 O24 -","4","1","","Zou, Jian; Chen, Guo-Dong; Zhao, Huan; Wang, Xiao-Xia; Zhang, Zaijun; Qu, Yi-Bo; He, Rong-Rong; So, Kwok-Fai; Yao, Xin-Sheng; Gao, Hao","Triangeliphthalides A-D: Bioactive Phthalide Trimers with New Skeletons from Angelica sinensis and Their Production Mechanism","Chemical Communications","2019","","","","","10.1039/C9CC02681A","","x-ray","1.54184","CuKα","","0.0521","0.0502","","","0.1191","0.1208","","","","","","1.067","","","","has coordinates","214901","2020-10-21","18:00:00",""
"7123384","12.7484","0.0013","9.4906","0.0009","13.5651","0.0015","90","","105.015","0.011","90","","1585.2","0.3","173","0.1","173","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C35 H49 Al N2 -","- C35 H49 Al N2 -","- C70 H98 Al2 N4 -","2","0.5","","Kong, Richard Y.; Crimmin, Mark Richard","Reversible Insertion of CO into an Aluminium‒Carbon Bond","Chemical Communications","2019","","","","","10.1039/C9CC02818H","","x-ray","0.71073","MoKα","","0.0733","0.0512","","","0.1247","0.1392","","","","","","1.032","","","","has coordinates,has disorder","214902","2020-10-21","18:00:00",""
"7123385","24.341","0.001","14.7167","0.0006","10.9529","0.0005","90","","90","","90","","3923.5","0.3","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H59 Al N2 O -","- C44 H59 Al N2 O -","- C176 H236 Al4 N8 O4 -","4","0.5","","Kong, Richard Y.; Crimmin, Mark Richard","Reversible Insertion of CO into an Aluminium‒Carbon Bond","Chemical Communications","2019","","","","","10.1039/C9CC02818H","","x-ray","0.71073","MoKα","","0.0937","0.0644","","","0.1527","0.1703","","","","","","1.058","","","","has coordinates,has disorder","214902","2020-10-21","18:00:00",""
"7123386","27.684","0.005","27.684","0.005","18.006","0.005","90","","90","","120","","11951","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H18 O11 Zn2 -","- C20 H18 O11 Zn2 -","- C360 H324 O198 Zn36 -","18","1","","Hu, Han; Zhu, Jiaxing; Yang, Feilong; Chen, Zhenxia; Deng, Mingli; Weng, Linhong; Ling, Yun; Zhou, Yaming","A robust etb-type metal-organic framework showing polarity-exclusive adsorption of acetone over methanol for their azeotropic mixture.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc02439e","","","0.71073","MoKα","","0.0496","0.0408","","","0.1162","0.1205","","","","","","1.018","","","","has coordinates","214923","2020-10-21","18:00:00",""
"7123387","28.868","0.007","28.868","0.007","8.261","0.003","90","","90","","120","","5962","3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H11 N O4 Zn -","- C12 H11 N O4 Zn -","- C216 H198 N18 O72 Zn18 -","18","0.5","","Hu, Han; Zhu, Jiaxing; Yang, Feilong; Chen, Zhenxia; Deng, Mingli; Weng, Linhong; Ling, Yun; Zhou, Yaming","A robust etb-type metal-organic framework showing polarity-exclusive adsorption of acetone over methanol for their azeotropic mixture.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc02439e","","","0.71073","MoKα","","0.0406","0.0336","","","0.1092","0.1111","","","","","","1.175","","","","has coordinates","214923","2020-10-21","18:00:00",""
"7123388","27.66","0.007","27.66","0.007","17.978","0.005","90","","90","","120","","11912","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H20 O11 Zn2 -","- C22 H17.972 O11 Zn2 -","- C396 H323.496 O198 Zn36 -","18","1","","Hu, Han; Zhu, Jiaxing; Yang, Feilong; Chen, Zhenxia; Deng, Mingli; Weng, Linhong; Ling, Yun; Zhou, Yaming","A robust etb-type metal-organic framework showing polarity-exclusive adsorption of acetone over methanol for their azeotropic mixture.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc02439e","","","1.34139","GaKα","","0.0492","0.0421","","","0.1227","0.1287","","","","","","1.101","","","","has coordinates,has disorder","214923","2020-10-21","18:00:00",""
"7123389","13.604","0.003","13.735","0.003","34.365","0.007","90","","90","","90","","6421","2","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C69.25 H56.5 B Cl1.5 F4 N O3 Os P3 -","- C69.25 H56.5 B Cl1.5 F4 N O3 Os P3 -","- C277 H226 B4 Cl6 F16 N4 O12 Os4 P12 -","4","1","","Deng, Zhihong; Zhu, Congqing; Hua, Yuhui; HE, Guomei; Guo, Ying; Lu, Ruqiang; Cao, Xiaoyu; Chen, Jiangxi; Xia, Haiping","Synthesis and Characterization of Metallapentalenoxazetes from the [2+2] Cycloaddition of Metallapentalynes with Nitrosoarenes","Chemical Communications","2019","","","","","10.1039/C9CC02594D","","","0.71073","MoKα","","0.0448","0.0419","","","0.1223","0.1246","","","","","","1.108","","","","has coordinates","214944","2020-10-21","18:00:00",""
"7123390","12.2871","0.0001","14.7115","0.0001","21.5051","0.0001","93.495","0.001","103.864","0.001","101.686","0.001","3671.23","0.05","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C77 H68 B Cl7 F4 N O5 Os P3 -","- C77 H68 B Cl7 F4 N O5 Os P3 -","- C154 H136 B2 Cl14 F8 N2 O10 Os2 P6 -","2","1","","Deng, Zhihong; Zhu, Congqing; Hua, Yuhui; HE, Guomei; Guo, Ying; Lu, Ruqiang; Cao, Xiaoyu; Chen, Jiangxi; Xia, Haiping","Synthesis and Characterization of Metallapentalenoxazetes from the [2+2] Cycloaddition of Metallapentalynes with Nitrosoarenes","Chemical Communications","2019","","","","","10.1039/C9CC02594D","","x-ray","1.54184","CuKα","","0.0447","0.0384","","","0.1015","0.1048","","","","","","1.051","","","","has coordinates","214944","2020-10-21","18:00:00",""
"7123391","26.2814","0.0016","29.5294","0.0019","37.274","0.002","67.902","0.003","89.721","0.004","82.424","0.004","26537","3","119.32","","119.32","","","","","","","","","7","P -1","-P 1","2","","","","- C222 H266.5 Ag24 Au B2 P6 S17 -","- C222 H266.5 Ag24 Au B2 P6 S17 -","- C888 H1066 Ag96 Au4 B8 P24 S68 -","4","2","","Li, Yangfeng; Zhou, Manman; Jin, Shan; Xiong, Lin; Yuan, Quanqin; Du, Wenjun; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Total Structural Determination of [Au1Ag24(Dppm)3(SR)17]2+ Comprised by An Open Icosahedral Au1Ag12 Core with Six Free Valence Electrons","Chemical Communications","2019","","","","","10.1039/C9CC00767A","","","1.54178","CuKα","","0.2378","0.1808","","","0.4133","0.4539","","","","","","1.211","","","","has coordinates","214949","2020-10-21","18:00:00",""
"7123392","23.3532","0.0008","27.1392","0.0008","25.6913","0.0008","90","","90","","90","","16282.8","0.9","298","2","298","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C164 H136 Ag8 Cl2 N6 O8 P8 -","- C164 H132 Ag8 N6 P8 -","- C656 H528 Ag32 N24 P32 -","4","0.25","","Zhang, Xu; Wang, Jin-Yun; Huang, Ya-Zi; Yang, Ming; Chen, Zhong-Ning","Silver(I) Nanoclusters of Carbazole-1,8-Bis(acetylide): from Visible to Near-infrared Emission","Chemical Communications","2019","","","","","10.1039/C9CC02066G","","","0.71073","MoKα","","0.0598","0.0462","","","0.1721","0.2011","","","","","","0.95","","","","has coordinates","214972","2020-10-21","18:00:00",""
"7123393","23.01","0.0016","26.8097","0.0016","24.9769","0.0016","90","","90","","90","","15408","1.7","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C164 H136 Ag8 Cl2 N6 O8 P8 -","- C164 H132 Ag8 N6 P8 -","- C656 H528 Ag32 N24 P32 -","4","0.25","","Zhang, Xu; Wang, Jin-Yun; Huang, Ya-Zi; Yang, Ming; Chen, Zhong-Ning","Silver(I) Nanoclusters of Carbazole-1,8-Bis(acetylide): from Visible to Near-infrared Emission","Chemical Communications","2019","","","","","10.1039/C9CC02066G","","","0.71073","MoKα","","0.1476","0.095","","","0.2191","0.2612","","","","","","1.096","","","","has coordinates,has disorder","214972","2020-10-21","18:00:00",""
"7123394","22.522","0.005","27.59","0.006","37.588","0.008","69.16","0.03","78.44","0.03","84.54","0.03","21378","9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C414 H360 Ag29 Cl N16 O4 P12 -","- C414 H360 Ag29 Cl N16 O4 P12 -","- C828 H720 Ag58 Cl2 N32 O8 P24 -","2","1","","Zhang, Xu; Wang, Jin-Yun; Huang, Ya-Zi; Yang, Ming; Chen, Zhong-Ning","Silver(I) Nanoclusters of Carbazole-1,8-Bis(acetylide): from Visible to Near-infrared Emission","Chemical Communications","2019","","","","","10.1039/C9CC02066G","","","0.62285","synchrotron","","0.0833","0.0747","","","0.226","0.2336","","","","","","1.049","","","","has coordinates,has disorder","214972","2020-10-21","18:00:00",""
"7123395","20.418","0.004","32.912","0.007","44.298","0.009","104.94","0.03","90.19","0.03","94.68","0.03","28657","11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C260 H228 Ag16 Cl2 N10 O8 P8 -","- C260 H228 Ag16 N10 P8 -","- C1040 H912 Ag64 N40 P32 -","4","2","","Zhang, Xu; Wang, Jin-Yun; Huang, Ya-Zi; Yang, Ming; Chen, Zhong-Ning","Silver(I) Nanoclusters of Carbazole-1,8-Bis(acetylide): from Visible to Near-infrared Emission","Chemical Communications","2019","","","","","10.1039/C9CC02066G","","","0.82634","synchrotron","","0.1218","0.1155","","","0.3175","0.3225","","","","","","1.015","","","","has coordinates,has disorder","214972","2020-10-21","18:00:00",""
"7123396","9.7231","0.0001","5.8962","0.0001","13.7204","0.0002","90","","99.675","0.001","90","","775.394","0.019","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Li, Jindong; Li, Yanan; Sun, Jianan; Gui, Yang; Huang, Yekai; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Enantioselective Mukaiyama aldol Reaction of Silyl Enol Ethers with Isatins","Chemical Communications","2019","","","","","10.1039/C9CC02159K","","","1.54184","CuKα","","0.0336","0.0328","","","0.0862","0.0875","","","","","","1.043","","","","has coordinates","214973","2020-10-21","18:00:00",""
"7123397","12.2396","0.0007","12.5466","0.0007","15.601","0.0009","104.955","0.002","101.248","0.002","102.538","0.002","2177.9","0.2","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H25 Cl3 F8 I2 N4 -","- C45 H25 Cl3 F8 I2 N4 -","- C90 H50 Cl6 F16 I4 N8 -","2","1","","Nieland, Esther; Topornicki, Thomas; Kunde, Tom; Schmidt, Bernd M.","[2+2] Halogen-bonded boxes employing azobenzenes","Chemical Communications","2019","","","","","10.1039/C9CC03061A","","","1.54178","CuKα","","0.0383","0.0361","","","0.0941","0.0967","","","","","","1.031","","","","has coordinates,has disorder","214975","2020-10-21","18:00:00",""
"7123398","10.2333","0.0005","13.0502","0.0006","14.1289","0.0006","98.677","0.002","99.439","0.002","97.357","0.002","1817.29","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H22 F8 I2 N4 O2 -","- C40 H22 F8 I2 N4 O2 -","- C80 H44 F16 I4 N8 O4 -","2","1","","Nieland, Esther; Topornicki, Thomas; Kunde, Tom; Schmidt, Bernd M.","[2+2] Halogen-bonded boxes employing azobenzenes","Chemical Communications","2019","","","","","10.1039/C9CC03061A","","","0.71073","MoKα","","0.043","0.0353","","","0.0747","0.077","","","","","","1.22","","","","has coordinates,has disorder","214975","2020-10-21","18:00:00",""
"7123399","11.213","0.002","4.47","0.002","13.278","0.003","90","","93.65","0.03","90","","664.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C24 H8 F8 I4 N4 -","2","0.5","","Nieland, Esther; Topornicki, Thomas; Kunde, Tom; Schmidt, Bernd M.","[2+2] Halogen-bonded boxes employing azobenzenes","Chemical Communications","2019","","","","","10.1039/C9CC03061A","","","0.71073","MoKα","","0.015","0.0136","","","0.0329","0.0335","","","","","","1.105","","","","has coordinates","214975","2020-10-21","18:00:00",""
"7123400","18.7877","0.0013","7.9384","0.0006","24.9913","0.0018","90","","101.538","0.003","90","","3652","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 F8 I2 N4 -","- C40 H24 F8 I2 N4 -","- C160 H96 F32 I8 N16 -","4","1","","Nieland, Esther; Topornicki, Thomas; Kunde, Tom; Schmidt, Bernd M.","[2+2] Halogen-bonded boxes employing azobenzenes","Chemical Communications","2019","","","","","10.1039/C9CC03061A","","","0.71073","MoKα","","0.0237","0.0196","","","0.0449","0.0462","","","","","","1.062","","","","has coordinates","214975","2020-10-21","18:00:00",""
"7123401","11.5975","0.0005","15.2196","0.0007","17.3722","0.0009","88.379","0.004","75.385","0.004","84.439","0.003","2953.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 Cl Mn N8 O8 -","- C64 H80 Cl Mn N8 O8 -","- C128 H160 Cl2 Mn2 N16 O16 -","2","1","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.0712","0.0574","","","0.1484","0.1651","","","","","","1.045","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123402","16.1626","0.001","16.4059","0.0013","18.7657","0.0017","104.879","0.007","110.295","0.005","103.963","0.005","4200.3","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H186 F12 Mn2 N16 O14 S16 Sb2 -","- C140 H186 F12 Mn2 N16 O14 S16 Sb2 -","- C140 H186 F12 Mn2 N16 O14 S16 Sb2 -","1","0.5","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.2999","0.2499","","","0.5851","0.6259","","","","","","2.354","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123403","13.5537","0.0006","23.463","0.0009","21.6379","0.001","90","","90","","90","","6881.1","0.5","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C268 H260 Cl4 Mn4 N32 O11 S32 -","- C268 H260 Cl4 Mn4 N32 O11 S32 -","- C268 H260 Cl4 Mn4 N32 O11 S32 -","1","0.25","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.0627","0.053","","","0.1371","0.1464","","","","","","1.098","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123404","11.7058","0.0004","15.8078","0.0005","16.944","0.0005","89.382","0.002","75.678","0.002","84.468","0.002","3023.5","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 I Mn N8 O8 -","- C64 H80 I Mn N8 O8 -","- C128 H160 I2 Mn2 N16 O16 -","2","1","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.0792","0.0684","","","0.19","0.2045","","","","","","1.074","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123405","25.6866","0.0004","31.2724","0.0005","11.2657","0.0002","90","","90","","90","","9049.5","0.3","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C90 H108 Cl4 F6 Mn N12 O8 Sb -","- C90 H108.686 Cl4 F6 Mn N12 O8 Sb -","- C360 H434.744 Cl16 F24 Mn4 N48 O32 Sb4 -","4","0.5","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.1229","0.0727","","","0.1605","0.1871","","","","","","1.044","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123406","12.1142","0.0005","15.6404","0.0006","16.6869","0.0006","74.248","0.003","81.437","0.003","71.617","0.003","2880.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl0.5 Mn0.5 N4 S4 -","- C28 H32 Cl0.5 Mn0.5 N4 S4 -","- C112 H128 Cl2 Mn2 N16 S16 -","4","2","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.0762","0.0466","","","0.0977","0.1139","","","","","","1.056","","","","has coordinates","214976","2020-10-21","18:00:00",""
"7123407","9.5442","0.0002","22.0391","0.0006","33.9345","0.0007","90","","95.618","0.002","90","","7103.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H90 F6 Mn N10 O8 Sb -","- C74 H86 F6 Mn N10 O8 Sb -","- C296 H344 F24 Mn4 N40 O32 Sb4 -","4","1","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.1634","0.1247","","","0.2724","0.297","","","","","","1.046","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123408","14.6939","0.0003","15.677","0.0003","31.8617","0.0006","90","","94.2707","0.0016","90","","7319.2","0.2","298.2","0.3","298.2","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H33 O2 S -","- C47 H30 O2 S -","- C376 H240 O16 S8 -","8","1","","Fu, Caixia; Luo, Shuai; Li, Zhenzhen; Ai, Xin; Pang, Zhenguo; Li, Chuan; Chen, Kuan; Zhou, Liang; Li, Feng; Huang, Yan; Lu, Zhiyun","Highly Efficient Deep-Blue OLEDs Based on Hybridized Local and Charge-Transfer Emitters Bearing Pyrene as the Structural Unit","Chemical Communications","2019","","","","","10.1039/C9CC02355K","","x-ray","1.54184","CuKα","","0.1135","0.1072","","","0.3161","0.3233","","","","","","2.691","","","","has coordinates","214977","2020-10-21","18:00:00",""
"7123409","8.0078","0.0004","8.233","0.0004","19.2322","0.0008","95.987","0.004","94.228","0.004","117.409","0.005","1108.78","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 O2 S -","- C31 H22 O2 S -","- C62 H44 O4 S2 -","2","1","","Fu, Caixia; Luo, Shuai; Li, Zhenzhen; Ai, Xin; Pang, Zhenguo; Li, Chuan; Chen, Kuan; Zhou, Liang; Li, Feng; Huang, Yan; Lu, Zhiyun","Highly Efficient Deep-Blue OLEDs Based on Hybridized Local and Charge-Transfer Emitters Bearing Pyrene as the Structural Unit","Chemical Communications","2019","","","","","10.1039/C9CC02355K","","x-ray","0.71073","MoKα","","0.083","0.0568","","","0.1351","0.1485","","","","","","1.048","","","","has coordinates","214977","2020-10-21","18:00:00",""
"7123410","8.572","0.0003","9.4216","0.0002","20.1701","0.0006","90","","90","","90","","1628.98","0.08","150","0.1","150","0.1","","","","","","","EtOH","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Mo, Yiran; Liu, Siyang; Liu, Yingying; Ye, Ling; Shi, Zhichuan; Zhao, Zhi-Gang; Li, Xuefeng","Highly stereoselective synthesis of 2,3-dihydrofurans via cascade Michael addition-alkylation process: nitro group as the leaving group","Chemical Communications","2019","","","","","10.1039/C9CC01509D","","x-ray","1.54184","CuKα","","0.0513","0.0494","","","0.1291","0.1327","","","","","","1.056","","","","has coordinates","214978","2020-10-21","18:00:00",""
"7123411","8.6309","0.0005","20.465","0.0011","8.3752","0.0004","90","","94.814","0.002","90","","1474.1","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","","Mo, Yiran; Liu, Siyang; Liu, Yingying; Ye, Ling; Shi, Zhichuan; Zhao, Zhi-Gang; Li, Xuefeng","Highly stereoselective synthesis of 2,3-dihydrofurans via cascade Michael addition-alkylation process: nitro group as the leaving group","Chemical Communications","2019","","","","","10.1039/C9CC01509D","","","0.71073","MoKα","","0.1032","0.0524","","","0.1228","0.1642","","","","","","1.067","","","","has coordinates","214978","2020-10-21","18:00:00",""
"7123412","10.9291","0.0011","18.3739","0.0018","21.345","0.002","90","","97.886","0.002","90","","4245.8","0.7","100","2","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RJW_3_034","IPrNiSi(SiMe3)3","","- C36 H63 N2 Ni Si4 -","- C36 H63 N2 Ni Si4 -","- C144 H252 N8 Ni4 Si16 -","4","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","","0.71073","MoKα","","0.1583","0.0849","","","0.1931","0.2283","","","","","","1.113","","","","has coordinates","214995","2020-10-21","18:00:00",""
"7123413","10.7613","0.0005","17.109","0.0008","18.0799","0.0008","97.169","0.002","98.893","0.002","106.986","0.002","3094","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","RJW_3_189","","","- C60 H63 B F20 N2 Ni Si4 -","- C60 H63 B F20 N2 Ni Si4 -","- C120 H126 B2 F40 N4 Ni2 Si8 -","2","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","","0.71073","MoKα","","0.0314","0.0291","","","0.0732","0.0747","","","","","","1.074","","","","has coordinates","214995","2020-10-21","18:00:00",""
"7123414","10.3727","0.0004","14.3391","0.0006","15.0287","0.0006","100.925","0.002","91.647","0.002","96.645","0.002","2177.1","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","RJW_3_087","IPrNiO2CSi(SiMe3)3","","- C37 H63 N2 Ni O2 Si4 -","- C37 H63 N2 Ni O2 Si4 -","- C74 H126 N4 Ni2 O4 Si8 -","2","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","","0.7749","synchrotron","","0.0687","0.0502","","","0.1111","0.1191","","","","","","1.046","","","","has coordinates,has disorder","214995","2020-10-21","18:00:00",""
"7123415","10.9273","0.0006","18.0527","0.0011","20.2837","0.0013","90","","98.521","0.003","90","","3957.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RJW_3_184","IPrNiC(SiMe3)3","","- C37 H63 N2 Ni Si3 -","- C37 H63 N2 Ni Si3 -","- C148 H252 N8 Ni4 Si12 -","4","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","","0.71073","MoKα","","0.0731","0.0532","","","0.1264","0.1368","","","","","","1.072","","","","has coordinates","214995","2020-10-21","18:00:00",""
"7123416","12.588","0.0005","27.7435","0.0009","17.8008","0.0006","90","","105.41","0.004","90","","5993.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 B F20 Ni P2 Si4 -","- C51 H67 B F20 Ni P2 Si4 -","- C204 H268 B4 F80 Ni4 P8 Si16 -","4","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","x-ray","0.71073","MoKα","","0.1011","0.0562","","","0.1202","0.1352","","","","","","1.03","","","","has coordinates","214995","2020-10-21","18:00:00",""
"7123417","16.488","0.002","18.79","0.003","27.26","0.006","90","","90","","90","","8445","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","RJW_NiSiOx","IPrNiCl(SiMe2(SiMe(SiMe3)2))","","- C36 H63 Cl N2 Ni Si4 -","- C36 H63 Cl N2 Ni Si4 -","- C288 H504 Cl8 N16 Ni8 Si32 -","8","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","","0.71073","MoKα","","0.2029","0.0831","","","0.1933","0.2541","","","","","","1.007","","","","has coordinates","214995","2020-10-21","18:00:00",""
"7123418","9.936","0.0073","11.476","0.0091","12.7906","0.0098","112.421","0.0078","91.811","0.0108","111.934","0.0081","1224.6","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 F N O6 -","- C26 H26 F N O6 -","- C52 H52 F2 N2 O12 -","2","1","","Xu, Xinfang; Dong, Kuiyong; Pei, Cao; Zeng, Qian; Qiu, Lihua; Hu, Wenhao; Qian, Yu","Copper-catalyzed [4+1]-annulation of 2-alkenylindoles with diazoacetates: a facile access to dihydrocyclopenta[b]indoles","Chemical Communications","2019","","","","","10.1039/C9CC02257K","","","0.71073","MoKα","","0.1166","0.0933","","","0.2568","0.282","","","","","","1.152","","","","has coordinates","215018","2020-10-21","18:00:00",""
"7123419","33.6076","0.0016","33.6076","0.0016","8.271","0.0005","90","","90","","120","","8090.3","0.7","273","","273","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H16 As2 Cl2 F10 Pt -","- C36 H16 As2 Cl2 F10 Pt -","- C324 H144 As18 Cl18 F90 Pt9 -","9","0.5","","Sasaki, Hiroshi; Imoto, Hiroaki; Kitao, Takashi; Uemura, Takashi; Yumura, Takashi; Naka, Kensuke","Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosity","Chemical Communications","2019","","","","","10.1039/C9CC02309G","","","0.71075","MoKα","","0.0466","0.0402","","","0.0986","0.1029","","","","","","1.058","","","","has coordinates","215019","2020-10-21","18:00:00",""
"7123420","34.32","0.003","34.32","0.003","8.6005","0.001","90","","90","","120","","8773","1.5","273","","273","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H16 As2 F10 I2 Pt -","- C36 H16 As2 F10 I2 Pt -","- C324 H144 As18 F90 I18 Pt9 -","9","0.5","","Sasaki, Hiroshi; Imoto, Hiroaki; Kitao, Takashi; Uemura, Takashi; Yumura, Takashi; Naka, Kensuke","Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosity","Chemical Communications","2019","","","","","10.1039/C9CC02309G","","","0.71075","MoKα","","0.0377","0.0332","","","0.0846","0.0881","","","","","","1.027","","","","has coordinates","215019","2020-10-21","18:00:00",""
"7123421","15.149","0.008","16.919","0.009","17.071","0.009","95.1514","0.0001","112.313","0.008","104.884","0.005","3825","4","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H18 As2 Cl2 F10 I2 Pt -","- C36.5 H17 As2 Cl F10 I2 Pt -","- C146 H68 As8 Cl4 F40 I8 Pt4 -","4","2","","Sasaki, Hiroshi; Imoto, Hiroaki; Kitao, Takashi; Uemura, Takashi; Yumura, Takashi; Naka, Kensuke","Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosity","Chemical Communications","2019","","","","","10.1039/C9CC02309G","","","0.71075","MoKα","","0.1024","0.0658","","","0.1642","0.1845","","","","","","0.949","","","","has coordinates","215019","2020-10-21","18:00:00",""
"7123422","12.2921","0.0015","13.3688","0.0017","10.0405","0.0012","90","","101.103","0.002","90","","1619.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3a,5,8-trimethyl-1-phenyl-3,3a-dihydrothieno[3,4-c]quinolin-4(5H)-one","","- C20 H19 N O S -","- C20 H19 N O S -","- C80 H76 N4 O4 S4 -","4","1","","Yu, Jiang-Xi; Niu, Shijie; Hu, Ming; Xiang, Jiannan; Li, Jin-Heng","Metal-Free Oxidative [2+2+1] Heteroannulation of 1,7-Enynes with Thiocyanates toward Thieno[3,4-c]quinolin-4(5H)-ones","Chemical Communications","2019","","","","","10.1039/C9CC02242B","","","0.71073","MoKα","","0.0593","0.043","","","0.1054","0.1183","","","","","","1.022","","","","has coordinates","215031","2020-10-21","18:00:00",""
"7123423","10.211","0.0004","20.2536","0.0005","16.7695","0.0005","90","","99.94","0.003","90","","3416.03","0.19","173.05","0.1","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1","","- C39 H36 Cl Co N P3 -","- C39 H36 Cl Co N P3 -","- C156 H144 Cl4 Co4 N4 P12 -","4","1","","Apps, Samantha; Miller, Philip; Long, Nicholas J.","Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2","Chemical Communications","2019","","","","","10.1039/C9CC01496A","","x-ray","0.71073","MoKα","","0.0645","0.0423","","","0.0935","0.1039","","","","","","1.03","","","","has coordinates","215048","2020-10-21","18:00:00",""
"7123424","35.2041","0.0004","18.5349","0.0002","13.28584","0.00019","90","","90","","90","","8669.07","0.18","174","3","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","2","","- C94 H104 Co2 Mg N6 O4 P6 -","- C94 H104 Co2 Mg N6 O4 P6 -","- C376 H416 Co8 Mg4 N24 O16 P24 -","4","1","","Apps, Samantha; Miller, Philip; Long, Nicholas J.","Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2","Chemical Communications","2019","","","","","10.1039/C9CC01496A","","x-ray","1.54184","CuKα","","0.0539","0.0455","","","0.1141","0.1235","","","","","","1.026","","","","has coordinates,has disorder","215048","2020-10-21","18:00:00",""
"7123425","18.9258","0.0001","18.9258","0.0001","18.9258","0.0001","90","","90","","90","","6778.95","0.06","173.05","0.1","173","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","3","","- C78 H72 Co2 N4 P6 -","- C78 H72 Co2 N4 P6 -","- C312 H288 Co8 N16 P24 -","4","0.166667","","Apps, Samantha; Miller, Philip; Long, Nicholas J.","Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2","Chemical Communications","2019","","","","","10.1039/C9CC01496A","","x-ray","1.54184","CuKα","","0.046","0.0375","","","0.0935","0.1002","","","","","","1.045","","","","has coordinates","215048","2020-10-21","18:00:00",""
"7123426","11.2875","0.0008","11.4069","0.0008","13.6863","0.0008","66.762","0.006","87.116","0.005","88.787","0.006","1617.2","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","4","","- C74 H78 Co2 N2 O2 P6 -","- C74 H78 Co2 N2 O2 P6 -","- C74 H78 Co2 N2 O2 P6 -","1","0.5","","Apps, Samantha; Miller, Philip; Long, Nicholas J.","Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2","Chemical Communications","2019","","","","","10.1039/C9CC01496A","","x-ray","0.71073","MoKα","","0.0773","0.0534","","","0.1266","0.1445","","","","","","1.058","","","","has coordinates,has disorder","215048","2020-10-21","18:00:00",""
"7123427","11.5683","0.0014","16.3145","0.0019","22.437","0.003","90","","100.478","0.002","90","","4163.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H22 Cl12 F20 N2 S4 Sb2 -","- C66 H22 Cl12 F20 N2 S4 Sb2 -","- C132 H44 Cl24 F40 N4 S8 Sb4 -","2","0.5","","Ambhore, Madan; Basavarajappa, Ashokkumar; Anand, Venkataramanarao Govindan","Wide-Range Redox States of Core-Modified Expanded Porphyrinoids","Chemical Communications","2019","","","","","10.1039/C9CC02326G","","","0.71073","MoKα","","0.092","0.0547","","","0.1435","0.1551","","","","","","1.05","","","","has coordinates","215118","2020-10-21","18:00:00",""
"7123428","6.2671","0.0013","12.536","0.003","18.175","0.004","77.166","0.005","89.244","0.006","77.342","0.006","1357.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H22 F20 N2 S4 -","- C66 H22 F20 N2 S4 -","- C66 H22 F20 N2 S4 -","1","0.5","","Ambhore, Madan; Basavarajappa, Ashokkumar; Anand, Venkataramanarao Govindan","Wide-Range Redox States of Core-Modified Expanded Porphyrinoids","Chemical Communications","2019","","","","","10.1039/C9CC02326G","","","0.71073","MoKα","","0.0895","0.0507","","","0.1305","0.1584","","","","","","0.889","","","","has coordinates","215118","2020-10-21","18:00:00",""
"7123429","18.33","0.012","14.715","0.009","19.877","0.012","90","","96.404","0.014","90","","5328","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H112 Cl12 N4 S4 -","- C116 H112 Cl12 N4 S4 -","- C232 H224 Cl24 N8 S8 -","2","0.5","","Ambhore, Madan; Basavarajappa, Ashokkumar; Anand, Venkataramanarao Govindan","Wide-Range Redox States of Core-Modified Expanded Porphyrinoids","Chemical Communications","2019","","","","","10.1039/C9CC02326G","","","0.71073","MoKα","","0.1503","0.0762","","","0.1798","0.2273","","","","","","1.075","","","","has coordinates","215118","2020-10-21","18:00:00",""
"7123430","23.875","0.006","21.397","0.005","24.554","0.006","90","","108.515","0.004","90","","11894","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C448 H416 Cl48 N16 S16 Sb8 -","- C448 H416 Cl48 N16 S16 Sb8 -","- C448 H416 Cl48 N16 S16 Sb8 -","1","0.25","","Ambhore, Madan; Basavarajappa, Ashokkumar; Anand, Venkataramanarao Govindan","Wide-Range Redox States of Core-Modified Expanded Porphyrinoids","Chemical Communications","2019","","","","","10.1039/C9CC02326G","","","0.71073","MoKα","","0.269","0.1469","","","0.3596","0.4181","","","","","","1.077","","","","has coordinates","215118","2020-10-21","18:00:00",""
"7123431","16.3765","0.0004","16.3765","0.0004","61.2246","0.0015","90","","90","","120","","14220","0.6","173","2","173","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C84 H84 N12 -","- C84 H84 N12 -","- C504 H504 N72 -","6","0.333333","","Wang, Fei; Sikma, Eric; Duan, Zhiming; Sarma, Tridib; Lei, Chuanhu; Zhang, Zhan; Humphrey, Simon M.; Sessler, Jonathan L.","Shape-persistent pyrrole-based covalent organic cages: synthesis, structure and selective gas adsorption properties","Chemical Communications","2019","","","","","10.1039/C9CC02490E","","","1.54184","CuKα","","0.1035","0.0806","","","0.2201","0.2339","","","","","","0.991","","","","has coordinates","215119","2020-10-21","18:00:00",""
"7123432","17.3339","0.0003","17.3339","0.0003","23.8668","0.0004","90","","90","","120","","6210.37","0.18","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C81 H111 N17 O3 -","- C81 H111 N17 O3 -","- C162 H222 N34 O6 -","2","0.166667","","Wang, Fei; Sikma, Eric; Duan, Zhiming; Sarma, Tridib; Lei, Chuanhu; Zhang, Zhan; Humphrey, Simon M.; Sessler, Jonathan L.","Shape-persistent pyrrole-based covalent organic cages: synthesis, structure and selective gas adsorption properties","Chemical Communications","2019","","","","","10.1039/C9CC02490E","","","1.54184","CuKα","","0.0592","0.0521","","","0.1644","0.1715","","","","","","1.068","","","","has coordinates,has disorder","215119","2020-10-21","18:00:00",""
"7123433","23.6193","0.0006","46.4612","0.0007","24.2477","0.0011","90","","114.241","0.004","90","","24262.8","1.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H188 Mn12 N14 Na8 O192 P8 W38 -","- C38 H126 Mn12 N13 O186.75 P8 W38 -","- C152 H504 Mn48 N52 O747 P32 W152 -","4","1","","Liu, Zhiwei; Wang, Wei; Tang, Jinkui; Li, Weiqi; Yin, Weiye; Fang, Xikui","Chain length effect in the functionalization of polyoxometalates with α,ω-alkyldiphosphonates","Chemical Communications","2019","","","","","10.1039/C9CC02854D","","","0.71073","MoKα","","0.2114","0.0981","","","0.2123","0.2673","","","","","","1.195","","","","has coordinates,has disorder","215120","2020-10-21","18:00:00",""
"7123434","38.5337","0.0005","27.5478","0.0004","47.9165","0.0012","90","","95.5062","0.0016","90","","50629.6","1.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54 H248 Mn12 N20 Na2 O196 P8 W38 -","- C28 H82 Mn12 N7 Na0.5 O186 P8 W38 -","- C224 H656 Mn96 N56 Na4 O1488 P64 W304 -","8","1","","Liu, Zhiwei; Wang, Wei; Tang, Jinkui; Li, Weiqi; Yin, Weiye; Fang, Xikui","Chain length effect in the functionalization of polyoxometalates with α,ω-alkyldiphosphonates","Chemical Communications","2019","","","","","10.1039/C9CC02854D","","","0.71073","MoKα","","0.2106","0.1356","","","0.2412","0.2769","","","","","","1.124","","","","has coordinates,has disorder","215120","2020-10-21","18:00:00",""
"7123435","26.7196","0.0014","33.0481","0.0017","35.0313","0.0019","63.5248","0.0015","70.9142","0.0015","85.3875","0.0015","26089","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H280 Mn20 Na15 O416 P20 Rb29 W72 -","- C36 H72 Mn20 Na10.75 O390.25 P20 Rb21.25 W72 -","- C72 H144 Mn40 Na21.5 O780.5 P40 Rb42.5 W144 -","2","1","","Liu, Zhiwei; Wang, Wei; Tang, Jinkui; Li, Weiqi; Yin, Weiye; Fang, Xikui","Chain length effect in the functionalization of polyoxometalates with α,ω-alkyldiphosphonates","Chemical Communications","2019","","","","","10.1039/C9CC02854D","","","0.71073","MoKα","","0.2514","0.1065","","","0.211","0.2832","","","","","","1.041","","","","has coordinates,has disorder","215120","2020-10-21","18:00:00",""
"7123436","9.168","0.002","21.907","0.004","9.858","0.002","90","","104.23","0.03","90","","1919.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br0 N O3 -","- C22 H15 N O3 -","- C88 H60 N4 O12 -","4","1","","Ghosh, Bidhan; Samanta, Rajarshi","Rh(III)-Catalyzed straightforward Arylation of 8-Methyl/ FormylQuinolines using Diazo Compounds","Chemical Communications","2019","","","","","10.1039/C9CC02391G","","","0.71073","MoKα","","0.0966","0.069","","","0.2068","0.2267","","","","","","0.989","","","","has coordinates","215121","2020-10-21","18:00:00",""
"7123437","8.05576","0.00016","24.7866","0.0005","15.4543","0.0003","90","","90","","90","","3085.84","0.11","173","","173","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Nambu, Hisanori; Onuki, Yuta; Ono, Naoki; Tsuge, Kiyoshi; Yakura, Takayuki","Ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides for the construction of a chromane skeleton","Chemical Communications","2019","","","","","10.1039/C9CC03023A","","","1.54187","CuKα","","0.0259","0.0248","","","0.0632","0.0636","","","","","","1.033","","","","has coordinates","215148","2020-10-21","18:00:00",""
"7123438","20.5748","0.0018","21.1941","0.0018","19.7887","0.0017","90","","90.633","0.002","90","","8628.6","1.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","OC-Ag","","- C78 H59 Ag3 F18 N12 O6 P3 -","- C78 H59 Ag3 F18 N12 O6 P3 -","- C312 H236 Ag12 F72 N48 O24 P12 -","4","1","","Mukherjee, Partha Sarathi; Modak, Ritwik; Howlader, Prodip; Mondal, Bijnaneswar","Self-assembly of a “Cationic-Cage” via formation of Ag-carbene bonds followed by imine condensation","Chemical Communications","2019","","","","","10.1039/C9CC02341K","","","0.71073","MoKα","","0.1259","0.0765","","","0.178","0.1988","","","","","","1.068","","","","has coordinates,has disorder","215149","2020-10-21","18:00:00",""
"7123439","26.657","0.012","26.657","0.012","33.26","0.04","90","","90","","90","","23634","3","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C284 H316 Co16 N36 O140 S12 -","- C248 H172 Co16 N24 O120 S12 -","- C496 H344 Co32 N48 O240 S24 -","2","0.125","","Guo, Ting-Ting; Cheng, Dong-Ming; Yang, Jin; Xu, Xianxiu; Ma, Jian-Fang","Calix[4]resorcinarene-based [Co16] coordination cages mediated by isomorphous auxiliary ligands for enhanced proton conduction","Chemical Communications","2019","","","","","10.1039/C9CC01828J","","","0.71073","MoKα","","0.3469","0.1572","","","0.3902","0.4542","","","","","","0.986","","","","has coordinates","215150","2020-10-21","18:00:00",""
"7123440","26.5726","0.0009","26.5726","0.0009","33.219","0.002","90","","90","","90","","23456","1.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C316 H363 Co16 N41 O110 -","- C240 H156 Co16 N24 O92 -","- C480 H312 Co32 N48 O184 -","2","0.125","","Guo, Ting-Ting; Cheng, Dong-Ming; Yang, Jin; Xu, Xianxiu; Ma, Jian-Fang","Calix[4]resorcinarene-based [Co16] coordination cages mediated by isomorphous auxiliary ligands for enhanced proton conduction","Chemical Communications","2019","","","","","10.1039/C9CC01828J","","","0.71073","MoKα","","0.2398","0.1404","","","0.373","0.4139","","","","","","1.198","","","","has coordinates","215150","2020-10-21","18:00:00",""
"7123441","11.91","0.003","12.104","0.002","12.368","0.003","66.3","0.02","65.36","0.03","61.05","0.03","1372.5","0.7","270","1","270","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.1361","0.1029","","","0.3082","0.3575","","","","","","1.227","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123442","12.0469","0.0011","18.2982","0.0013","20.582","0.002","64.984","0.008","75.059","0.009","85.411","0.007","3970.2","0.7","215","1","215","1","","","","","","","","7","P -1","-P 1","2","","","","- C114 H174 F18 Fe3 N54 O18 S6 -","- C114 H174 F18 Fe3 N54 O18 S6 -","- C114 H174 F18 Fe3 N54 O18 S6 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.2418","0.0885","","","0.1833","0.2804","","","","","","0.949","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123443","12.0056","0.0008","18.3067","0.0008","20.6014","0.0014","64.898","0.005","74.873","0.006","85.388","0.004","3955.7","0.5","195","1","195","1","","","","","","","","7","P -1","-P 1","2","","","","- C114 H174 F18 Fe3 N54 O18 S6 -","- C113.998 H174 F17.994 Fe3 N54 O17.994 S5.998 -","- C113.998 H174 F17.994 Fe3 N54 O17.994 S5.998 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.133","0.0801","","","0.2048","0.257","","","","","","1.009","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123444","12.1229","0.0015","18.3542","0.0018","20.67","0.003","64.83","0.011","74.777","0.011","85.36","0.009","4014","1","225","1","225","1","","","","","","","","7","P -1","-P 1","2","","","","- C114 H174 F18 Fe3 N54 O18 S6 -","- C113.998 H174 F17.994 Fe3 N54 O17.994 S5.998 -","- C113.998 H174 F17.994 Fe3 N54 O17.994 S5.998 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.1135","0.0703","","","0.1787","0.2225","","","","","","1.032","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123445","12.0929","0.0008","18.3605","0.0011","20.6682","0.0014","64.854","0.006","74.914","0.006","85.364","0.005","4008.6","0.5","210","1","210","1","","","","","","","","7","P -1","-P 1","2","","","","- C114 H174 F18 Fe3 N54 O18 S6 -","- C113.996 H174 F17.988 Fe3 N54 O17.988 S5.996 -","- C113.996 H174 F17.988 Fe3 N54 O17.988 S5.996 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.1","0.064","","","0.165","0.2002","","","","","","1.028","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123446","11.8402","0.0006","11.9712","0.0007","11.891","0.0007","69.846","0.006","62.779","0.006","61.129","0.006","1295.84","0.16","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.0521","0.0412","","","0.107","0.1156","","","","","","1.034","","","","has coordinates","215151","2020-10-21","18:00:00",""
"7123447","11.9565","0.0005","12.0756","0.0008","11.9872","0.0008","69.006","0.007","62.644","0.006","60.642","0.006","1319.85","0.17","195","1","195","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.0595","0.0434","","","0.111","0.1224","","","","","","1.031","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123448","11.89","0.002","12.0986","0.0019","12.349","0.002","66.416","0.017","65.468","0.017","61.18","0.017","1370.6","0.5","270","1","270","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.1451","0.1131","","","0.3039","0.3468","","","","","","1.235","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123449","11.7464","0.0005","11.8983","0.0007","11.7776","0.0007","70.253","0.005","62.681","0.005","61.357","0.005","1268.75","0.14","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.0455","0.0382","","","0.1","0.1059","","","","","","1.037","","","","has coordinates","215151","2020-10-21","18:00:00",""
"7123450","11.8046","0.0017","12.092","0.002","12.2737","0.0018","67.293","0.015","64.866","0.014","60.571","0.016","1346","0.4","225","1","225","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","- C38 H58 F6 Fe N18 O6 S2 -","1","0.5","","Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert","“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC02755F","","","0.71073","MoKα","","0.1388","0.099","","","0.2938","0.3482","","","","","","1.158","","","","has coordinates,has disorder","215151","2020-10-21","18:00:00",""
"7123451","13.1779","0.0006","14.2193","0.0005","21.4955","0.0011","99.2063","0.0016","99.6216","0.0019","117.29","0.0013","3398","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H80 Bi7 K2 N4 O15 Rh3 -","- C46 H80 Bi7 K2 N4 O15 Rh3 -","- C92 H160 Bi14 K4 N8 O30 Rh6 -","2","1","","Li, Zhenyu; Dan, Ouyang; Xu, Li","[Bi7M3(CO)3]2- (M = Co, Rh): A New Prototype of 10-vertex Deltahedral Hybrids From Unprecedented Polycyclic η5−coordination addition of Bi73- and trimetallic fragments†","Chemical Communications","2019","","","","","10.1039/C9CC03079D","","","0.71073","MoKα","","0.0691","0.0557","","","0.1647","0.1818","","","","","","1.155","","","","has coordinates","215152","2020-10-21","18:00:00",""
"7123452","13.123","0.0005","14.1602","0.0006","21.3908","0.0009","99.458","0.002","99.365","0.001","117.512","0.001","3345.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H80 Bi7 Co3 K2 N4 O15 -","- C46 H80 Bi7 Co3 K2 N4 O15 -","- C92 H160 Bi14 Co6 K4 N8 O30 -","2","1","","Li, Zhenyu; Dan, Ouyang; Xu, Li","[Bi7M3(CO)3]2- (M = Co, Rh): A New Prototype of 10-vertex Deltahedral Hybrids From Unprecedented Polycyclic η5−coordination addition of Bi73- and trimetallic fragments†","Chemical Communications","2019","","","","","10.1039/C9CC03079D","","","0.71073","MoKα","","0.0459","0.0411","","","0.1126","0.1204","","","","","","1.127","","","","has coordinates","215152","2020-10-21","18:00:00",""
"7123453","12.4481","0.0004","16.815","0.0007","22.2412","0.0011","96.817","0.004","94.522","0.003","107.257","0.004","4382.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","{Na[OC(B[{N(2,6-iPr-C6H3)}2(CH)2])PFe(CO)2Cp*}2*1.5hex","","- C87 H123 B2 Fe2 N4 Na2 O6 P2 -","- C87 H123 B2 Fe2 N4 Na2 O6 P2 -","- C174 H246 B4 Fe4 N8 Na4 O12 P4 -","2","1","","Wilson, Daniel; Goicoechea, Jose M.","Synthesis of metallophophaalkenes by reaction of organometallic nucleophiles with a phosphaethynolato-borane","Chemical Communications","2019","","","","","10.1039/C9CC03040A","","","0.71073","MoKα","","0.0812","0.0505","","","0.1025","0.1131","","","","","","1.042","","","","has coordinates","215153","2020-10-21","18:00:00",""
"7123454","12.5793","0.0006","12.6322","0.0005","17.8449","0.0006","86.392","0.003","73.088","0.004","81.048","0.004","2679.5","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","(PPh3)Au(O)C[B{N(2,6-iPr-C6H3)}2(CH)2]PFe(CO)2Cp*","","- C57 H66 Au B Fe N2 O3 P2 -","- C57 H66 Au B Fe N2 O3 P2 -","- C114 H132 Au2 B2 Fe2 N4 O6 P4 -","2","1","","Wilson, Daniel; Goicoechea, Jose M.","Synthesis of metallophophaalkenes by reaction of organometallic nucleophiles with a phosphaethynolato-borane","Chemical Communications","2019","","","","","10.1039/C9CC03040A","","","1.54184","CuKα","","0.0483","0.0396","","","0.0955","0.0993","","","","","","1.029","","","","has coordinates","215153","2020-10-21","18:00:00",""
"7123455","12.6726","0.0007","14.4208","0.0006","25.6379","0.001","78.827","0.004","86.973","0.004","78.977","0.004","4511.1","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","(Me3Si)OC[B{N(2,6-iPr-C6H3)}2(CH)2]PFe(CO)2Cp*_0.25hex","","- C43.5 H63.5 B Fe N2 O3 P Si -","- C43.5 H63.5 B Fe N2 O3 P Si -","- C174 H254 B4 Fe4 N8 O12 P4 Si4 -","4","2","","Wilson, Daniel; Goicoechea, Jose M.","Synthesis of metallophophaalkenes by reaction of organometallic nucleophiles with a phosphaethynolato-borane","Chemical Communications","2019","","","","","10.1039/C9CC03040A","","","1.54184","CuKα","","0.0717","0.0538","","","0.1381","0.1556","","","","","","1.039","","","","has coordinates","215153","2020-10-21","18:00:00",""
"7123456","25.722","0.004","14.7379","0.0008","25.503","0.003","90","","111.162","0.015","90","","9016","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H51 Ag7 F6 N1.5 O4 S5 -","- C27 H45 Ag7 F6 N1.5 O4 S5 -","- C216 H360 Ag56 F48 N12 O32 S40 -","8","1","","Nan, Zi-Ang; Xiao, Ying; Liu, Xiyan; Wang, Tan; Cheng, Xiaoling; Yang, Yang; Lei, Zhen; Wang, Quan-Ming","Monitoring the Growth of Ag-S Clusters through Crystallization of Intermediate Clusters","Chemical Communications","2019","","","","","10.1039/C9CC03533H","","","0.71073","MoKα","","0.1755","0.0841","","","0.1026","0.1281","","","","","","1.033","","","","has coordinates,has disorder","215154","2020-10-21","18:00:00",""
"7123457","14.9808","0.0004","19.2453","0.0005","32.5658","0.0008","97.942","0.002","95.315","0.002","110.522","0.002","8607.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H0.5 Ag31 F24 N4 O16 S20 -","- C96 H165 Ag31 F24 N5 O18 S20 -","- C192 H330 Ag62 F48 N10 O36 S40 -","2","1","","Nan, Zi-Ang; Xiao, Ying; Liu, Xiyan; Wang, Tan; Cheng, Xiaoling; Yang, Yang; Lei, Zhen; Wang, Quan-Ming","Monitoring the Growth of Ag-S Clusters through Crystallization of Intermediate Clusters","Chemical Communications","2019","","","","","10.1039/C9CC03533H","","","0.71073","MoKα","","0.0947","0.0682","","","0.1411","0.1513","","","","","","1.151","","","","has coordinates","215154","2020-10-21","18:00:00",""
"7123458","19.371","0.0004","42.2618","0.0011","26.5893","0.0008","90","","101.408","0.002","90","","21337.4","1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C117 H201 Ag45 F21 N3 O16 S31 -","- C114.5 Ag45 F21 N2 O15 S31 -","- C458 Ag180 F84 N8 O60 S124 -","4","1","","Nan, Zi-Ang; Xiao, Ying; Liu, Xiyan; Wang, Tan; Cheng, Xiaoling; Yang, Yang; Lei, Zhen; Wang, Quan-Ming","Monitoring the Growth of Ag-S Clusters through Crystallization of Intermediate Clusters","Chemical Communications","2019","","","","","10.1039/C9CC03533H","","","0.71073","MoKα","","0.0964","0.0555","","","0.1337","0.1513","","","","","","1.099","","","","has coordinates,has disorder","215154","2020-10-21","18:00:00",""
"7123459","20.9287","0.0003","25.7382","0.0004","27.9899","0.0004","88.281","0.001","86.55","0.001","85.878","0.001","15006","0.4","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C136 H288 Ag62 F12 O8 S45 -","- C134 Ag62 F9 O6 S45 -","- C268 Ag124 F18 O12 S90 -","2","1","","Nan, Zi-Ang; Xiao, Ying; Liu, Xiyan; Wang, Tan; Cheng, Xiaoling; Yang, Yang; Lei, Zhen; Wang, Quan-Ming","Monitoring the Growth of Ag-S Clusters through Crystallization of Intermediate Clusters","Chemical Communications","2019","","","","","10.1039/C9CC03533H","","","0.71073","MoKα","","0.1223","0.0762","","","0.2037","0.2262","","","","","","1.078","","","","has coordinates,has disorder","215154","2020-10-21","18:00:00",""
"7123460","9.16689","0.00015","20.2059","0.0004","21.1011","0.0004","90","","90","","90","","3908.46","0.12","100","0.6","100","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl2 Ir N2 O -","- C16 H31 Cl2 Ir N2 O -","- C128 H248 Cl16 Ir8 N16 O8 -","8","2","","DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S.","Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box.","MedChemComm","2019","10","8","1391","1398","10.1039/c9md00140a","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0626","0.0646","","","","","","1.087","","","","has coordinates","224641","2020-10-21","18:00:00",""
"7123461","25.3023","0.0002","14.75173","0.00012","20.32938","0.00018","90","","93.863","0.0008","90","","7570.76","0.11","99.9","","99.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H59 Cl5 Ir2 N4 -","- C32.5 H59 Cl5 Ir2 N4 -","- C260 H472 Cl40 Ir16 N32 -","8","2","","DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S.","Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box.","MedChemComm","2019","10","8","1391","1398","10.1039/c9md00140a","","","0.71073","MoKα","","0.0581","0.0338","","","0.0586","0.0669","","","","","","1.082","","","","has coordinates","224641","2020-10-21","18:00:00",""
"7123462","43.9042","0.0016","11.6825","0.0005","26.7007","0.0011","90","","123.046","0.001","90","","11479.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H70 B2 F6 N4 -","- C64 H70 B2 F6 N4 -","- C512 H560 B16 F48 N32 -","8","1","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.063","0.0492","","","0.1206","0.1306","","","","","","1.021","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123463","10.9162","0.0006","20.7562","0.0013","28.331","0.0017","88.333","0.002","82.473","0.002","76.374","0.002","6184.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H88 B2 N6 -","- C72 H88 B2 N6 -","- C288 H352 B8 N24 -","4","2","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.1542","0.0682","","","0.1544","0.1951","","","","","","0.999","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123464","14.3768","0.0005","17.736","0.0007","19.9449","0.0007","94.501","0.001","100.318","0.001","100.341","0.001","4889.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H72 B2 N4 Si -","- C53 H72 B2 N4 Si -","- C212 H288 B8 N16 Si4 -","4","2","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.066","0.0487","","","0.1236","0.1359","","","","","","1.019","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123465","13.254","0.003","13.786","0.003","18.567","0.004","75.387","0.007","80.073","0.008","64.354","0.006","2951.6","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H83 B2 Fe2 N4 -","- C73 H83 B2 Fe2 N4 -","- C146 H166 B4 Fe4 N8 -","2","1","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.1202","0.0672","","","0.1544","0.1773","","","","","","1.07","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123466","10.9015","0.0013","23.701","0.003","24.12","0.003","97.712","0.004","97.821","0.004","90.381","0.004","6116.3","1.3","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H72 B2 N4 -","- C62 H72 B2 N4 -","- C248 H288 B8 N16 -","4","2","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.1017","0.0632","","","0.1719","0.1967","","","","","","1.047","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123467","39.5261","0.0017","12.8542","0.0006","22.1018","0.0009","90","","105.914","0.001","90","","10799","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 B2 Fe N4 -","- C64 H76 B2 Fe N4 -","- C512 H608 B16 Fe8 N32 -","8","2","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.1023","0.0573","","","0.1075","0.1302","","","","","","1.045","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123468","11.5634","0.0005","22.8149","0.0008","18.8309","0.0007","90","","99.871","0.002","90","","4894.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 B2 N4 -","- C60 H70 B2 N4 -","- C240 H280 B8 N16 -","4","1","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.061","0.0473","","","0.1135","0.1246","","","","","","1.017","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123469","11.252","0.0003","57.9972","0.0013","20.3572","0.0006","90","","96.869","0.002","90","","13189.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 B2 N4 -","- C50 H64 B2 N4 -","- C600 H768 B24 N48 -","12","3","","Brueckner, Tobias; Arrowsmith, Merle; Heß, Merlin; Hammond, Kai; Müller, Marcel; Braunschweig, Holger","Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne","Chemical Communications","2019","","","","","10.1039/C9CC02657F","","","0.71073","MoKα","","0.1507","0.0769","","","0.1447","0.1708","","","","","","1.027","","","","has coordinates,has disorder","215185","2020-10-21","18:00:00",""
"7123470","10.4968","0.0007","15.3022","0.001","24.0256","0.0016","90","","93.912","0.002","90","","3850.1","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Au(IPr)(Bpin)","","- C35 H52 Au B N2 O2.5 -","- C35 H52 Au B N2 O2.5 -","- C140 H208 Au4 B4 N8 O10 -","4","1","","Nolan, Steven P.; zinser, caroline; Falivene, Laura; Nahra, Fady; brill, marcel; Cordes, David Bradford; Slawin, Alexandra; Cavallo, Luigi; Cazin, Catherine","Synthesis and Reactivity of [Au(NHC)(Bpin)] Complexes","Chemical Communications","2019","","","","","10.1039/C9CC03171E","","","0.71075","MoKα","","0.0375","0.0269","","","0.0761","0.0812","","","","","","1.141","","","","has coordinates","215186","2020-10-21","18:00:00",""
"7123471","10.4155","0.0019","11.2726","0.0018","15.255","0.003","85.809","0.01","89.799","0.011","76.163","0.008","1734.3","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","Au(IPrCl)(Bpin)","","- C33 H46 Au B Cl2 N2 O2 -","- C33 H46 Au B Cl2 N2 O2 -","- C66 H92 Au2 B2 Cl4 N4 O4 -","2","1","","Nolan, Steven P.; zinser, caroline; Falivene, Laura; Nahra, Fady; brill, marcel; Cordes, David Bradford; Slawin, Alexandra; Cavallo, Luigi; Cazin, Catherine","Synthesis and Reactivity of [Au(NHC)(Bpin)] Complexes","Chemical Communications","2019","","","","","10.1039/C9CC03171E","","","0.71075","MoKα","","0.0939","0.0777","","","0.2221","0.23","","","","","","1.245","","","","has coordinates","215186","2020-10-21","18:00:00",""
"7123472","26.402","0.004","25.126","0.003","19.581","0.003","90","","102.119","0.003","90","","12700","3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Au(IPrstar)(Bpin)","","- C75 H68 Au B N2 O2 -","- C75 H68 Au B N2 O2 -","- C600 H544 Au8 B8 N16 O16 -","8","1","","Nolan, Steven P.; zinser, caroline; Falivene, Laura; Nahra, Fady; brill, marcel; Cordes, David Bradford; Slawin, Alexandra; Cavallo, Luigi; Cazin, Catherine","Synthesis and Reactivity of [Au(NHC)(Bpin)] Complexes","Chemical Communications","2019","","","","","10.1039/C9CC03171E","","","0.71075","MoKα","","0.1541","0.0762","","","0.1959","0.2357","","","","","","0.981","","","","has coordinates","215186","2020-10-21","18:00:00",""
"7123473","15.5934","0.0018","15.2396","0.0015","27.251","0.003","90","","100.496","0.004","90","","6367.5","1.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Au2(IPr)2-H][(HOCO)2(Bpin)]","","- C63 H89 Au2 B N4 O8 -","- C63 H89 Au2 B N4 O8 -","- C252 H356 Au8 B4 N16 O32 -","4","1","","Nolan, Steven P.; zinser, caroline; Falivene, Laura; Nahra, Fady; brill, marcel; Cordes, David Bradford; Slawin, Alexandra; Cavallo, Luigi; Cazin, Catherine","Synthesis and Reactivity of [Au(NHC)(Bpin)] Complexes","Chemical Communications","2019","","","","","10.1039/C9CC03171E","","","0.71075","MoKα","","0.0506","0.0297","","","0.0536","0.0603","","","","","","1.05","","","","has coordinates","215186","2020-10-21","18:00:00",""
"7123474","23.7222","0.0013","10.0218","0.0006","14.503","0.0008","90","","125.646","0.002","90","","2801.9","0.3","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C136 H128 Br8 N8 O8 -","8","1","","Gao, Qianwen; Liu, Ze-Shui; Hua, Yu; Li, Lisha; Cheng, Hong-Gang; Cong, Hengjiang; Zhou, Qianghui","A Palladium/Norbornene Cooperative Catalysis to Access N-Containing Bridged Scaffolds","Chemical Communications","2019","","","","","10.1039/C9CC03126J","","","1.54178","CuKα","","0.039","0.0387","","","0.1021","0.1024","","","","","","1.12","","","","has coordinates","215187","2020-10-21","18:00:00",""
"7123475","8.3295","0.00013","18.8925","0.0004","18.0731","0.0003","90","","97.5471","0.0013","90","","2819.44","0.09","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B F4 N3 O6 -","- C24 H36 B F4 N3 O6 -","- C96 H144 B4 F16 N12 O24 -","4","1","","Huang, Rui-Kang; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented Water-Controlled Rotator‒Stator Conversion of Supramolecular Rotor in Crystals","Chemical Communications","2019","","","","","10.1039/C9CC03267C","","","1.54184","CuKα","","0.0616","0.056","","","0.1721","0.1801","","","","","","1.057","","","","has coordinates,has disorder","215223","2020-10-21","18:00:00",""
"7123476","8.25835","0.0001","18.7293","0.0002","17.91116","0.00019","90","","96.2603","0.0009","90","","2753.85","0.05","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B F4 N3 O6 -","- C24 H36 B F4 N3 O6 -","- C96 H144 B4 F16 N12 O24 -","4","1","","Huang, Rui-Kang; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented Water-Controlled Rotator‒Stator Conversion of Supramolecular Rotor in Crystals","Chemical Communications","2019","","","","","10.1039/C9CC03267C","","","1.54184","CuKα","","0.0322","0.0305","","","0.0804","0.0818","","","","","","1.035","","","","has coordinates,has disorder","215223","2020-10-21","18:00:00",""
"7123477","8.5409","0.0002","19.0473","0.0004","18.1701","0.0003","90","","101.962","0.002","90","","2891.74","0.1","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 B F4 N3 O6.5 -","- C24 H37 B F4 N3 O6.5 -","- C96 H148 B4 F16 N12 O26 -","4","1","","Huang, Rui-Kang; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented Water-Controlled Rotator‒Stator Conversion of Supramolecular Rotor in Crystals","Chemical Communications","2019","","","","","10.1039/C9CC03267C","","","1.54178","CuKα","","0.0643","0.0565","","","0.1803","0.1899","","","","","","1.104","","","","has coordinates,has disorder","215223","2020-10-21","18:00:00",""
"7123478","16.699","0.0005","18.1887","0.0007","20.4536","0.0006","85.905","0.003","66.15","0.003","79.132","0.003","5579.9","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","AABZ18C6BF4H2O","","- C24 H37 B F4 N3 O6.5 -","- C24 H37 B F4 N3 O6.5 -","- C192 H296 B8 F32 N24 O52 -","8","4","","Huang, Rui-Kang; Xiao, Zhi-Feng; Liu, De-Xuan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented Water-Controlled Rotator‒Stator Conversion of Supramolecular Rotor in Crystals","Chemical Communications","2019","","","","","10.1039/C9CC03267C","","","1.54184","CuKα","","0.1219","0.1151","","","0.3258","0.3327","","","","","","1.071","","","","has coordinates,has disorder","215223","2020-10-21","18:00:00",""
"7123479","20.6179","0.0009","16.6222","0.0007","21.6049","0.0009","90","","90","","90","","7404.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H70 Cl12 N6 O6 -","- C72 H70 Cl12 N6 O6 -","- C288 H280 Cl48 N24 O24 -","4","0.5","","Lopez-Leonardo, Carmen; Martinez-Cuezva, Alberto; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Homo and heteroassembly of amide-based [2]rotaxanes using α,α’-dimethyl-p-xylylenediamines","Chemical Communications","2019","","","","","10.1039/C9CC02701G","","","0.71073","MoKα","","0.0546","0.0422","","","0.0952","0.1019","","","","","","1.031","","","","has coordinates","215224","2020-10-21","18:00:00",""
"7123480","8.9332","0.0006","17.8759","0.0013","15.1341","0.001","90","","104.251","0.003","90","","2342.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 N4 O8 S4 -","- C44 H60 N4 O8 S4 -","- C88 H120 N8 O16 S8 -","2","0.5","","Lopez-Leonardo, Carmen; Martinez-Cuezva, Alberto; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Homo and heteroassembly of amide-based [2]rotaxanes using α,α’-dimethyl-p-xylylenediamines","Chemical Communications","2019","","","","","10.1039/C9CC02701G","","","0.71073","MoKα","","0.066","0.0518","","","0.0958","0.1009","","","","","","1.129","","","","has coordinates","215224","2020-10-21","18:00:00",""
"7123481","50.723","0.0019","11.0306","0.0004","22.3781","0.0009","90","","105.156","0.002","90","","12085.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H68 Cl2 N6 O6 -","- C69 H68 Cl2 N6 O6 -","- C552 H544 Cl16 N48 O48 -","8","1","","Lopez-Leonardo, Carmen; Martinez-Cuezva, Alberto; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Homo and heteroassembly of amide-based [2]rotaxanes using α,α’-dimethyl-p-xylylenediamines","Chemical Communications","2019","","","","","10.1039/C9CC02701G","","","0.71073","MoKα","","0.0938","0.0558","","","0.1032","0.1171","","","","","","1.049","","","","has coordinates","215224","2020-10-21","18:00:00",""
"7123482","28","0.006","48.956","0.01","30.81","0.006","90","","105.96","0.03","90","","40605","16","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C104 H120.33 F8 N16 O20.5 Ru4 S2.67 -","- C104 H95.3333 F8 N16 O20.5 Ru4 S2.66667 -","- C1248 H1144 F96 N192 O246 Ru48 S32 -","12","3","","Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Singh, Nem; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan","Selective and quantitative synthesis of a linear [3]catenane by two component coordination-driven self-assembly","Chemical Communications","2019","","","","","10.1039/C9CC03336J","","","0.7","synchrotron","","0.1523","0.1087","","","0.2821","0.3212","","","","","","1.084","","","","has coordinates","215285","2020-10-21","18:00:00",""
"7123483","9.475","0.0009","9.6439","0.0009","10.829","0.001","85.185","0.003","81.59","0.003","82.894","0.003","969.16","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H22 Br N O2 S -","- C19 H22 Br N O2 S -","- C38 H44 Br2 N2 O4 S2 -","2","2","","Zhang, Gao-Peng; Huang, Shuai; Jiang, Yang-Jie; Liu, Xiu-Yan; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Pd-catalyzed enantioselective cyclopropanation of nitriles with mono substituted allyl carbonates enabled by the bulky N-heterocyclic carbene ligand","Chemical Communications","2019","","","","","10.1039/C9CC01960J","","","0.71073","MoKα","","0.0529","0.0383","","","0.0947","0.1027","","","","","","1.051","","","","has coordinates","215286","2020-10-21","18:00:00",""
"7123484","11.096","0.002","23.934","0.005","11.876","0.002","90","","108.96","0.03","90","","2982.8","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Ag4 N6 O12 P4 -","- C58 H52 Ag4 N6 O12 P4 -","- C116 H104 Ag8 N12 O24 P8 -","2","0.5","","Yang, Mei; Wu, Xin-Yi; Wang, Hui-Fang; Young, david James; Ren, Zhi-Gang; Lang, Jian-Ping","Novel silver-phosphine coordination polymers incorporating a Wurster’s Blue - like radical cation with enhanced photoelectric properties","Chemical Communications","2019","","","","","10.1039/C9CC01711A","","","0.71073","MoKα","","0.1005","0.057","","","0.0866","0.0989","","","","","","1.092","","","","has coordinates","215287","2020-10-21","18:00:00",""
"7123485","28.2415","0.0008","13.185","0.0003","19.6699","0.0005","90","","114.578","0.003","90","","6660.7","0.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H56 Ag4 Cl4 N6 O12 P4 -","- C60 H56 Ag4 Cl4 N6 O12 P4 -","- C240 H224 Ag16 Cl16 N24 O48 P16 -","4","0.5","","Yang, Mei; Wu, Xin-Yi; Wang, Hui-Fang; Young, david James; Ren, Zhi-Gang; Lang, Jian-Ping","Novel silver-phosphine coordination polymers incorporating a Wurster’s Blue - like radical cation with enhanced photoelectric properties","Chemical Communications","2019","","","","","10.1039/C9CC01711A","","","1.54178","CuKα","","0.0913","0.08","","","0.2129","0.2333","","","","","","1.042","","","","has coordinates,has disorder","215287","2020-10-21","18:00:00",""
"7123486","10.601","0.0005","11.7414","0.0005","12.881","0.0006","90","","90","","90","","1603.31","0.13","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N O2 S2 -","- C16 H20 N O2 S2 -","- C64 H80 N4 O8 S8 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0739","0.0622","","","0.1791","0.2092","","","","","","1.212","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123487","8.0063","0.0003","12.0533","0.0008","19.6151","0.0007","90","","90","","90","","1892.9","0.16","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0596","0.0487","","","0.1113","0.1204","","","","","","1.036","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123488","6.4626","0.0003","7.6863","0.0003","36.6394","0.0017","90","","90","","90","","1820.01","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0487","0.0398","","","0.0852","0.0921","","","","","","1.042","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123489","7.6838","0.0003","11.6378","0.0007","19.1666","0.0013","90","","90","","90","","1713.93","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.054","0.0438","","","0.1177","0.1412","","","","","","1.21","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123490","17.8848","0.0004","7.37022","0.00015","25.6676","0.0006","90","","107.315","0.003","90","","3230.05","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H84 N4 O8 S4 -","- C72 H84 N4 O8 S4 -","- C144 H168 N8 O16 S8 -","2","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","1.54184","CuKα","","0.1003","0.0818","","","0.213","0.24","","","","","","1.038","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123491","9.2849","0.0003","11.8237","0.0003","19.1053","0.0005","90","","90","","90","","2097.42","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C100 H108 N4 O8 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0389","0.0355","","","0.0823","0.0847","","","","","","1.043","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123492","9.714","0.0005","11.6951","0.0005","16.9879","0.0008","90","","90","","90","","1929.93","0.16","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0581","0.0438","","","0.0907","0.1013","","","","","","1.069","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123493","12.0486","0.0007","12.1884","0.001","14.5657","0.0011","86.336","0.004","65.642","0.002","60.39","0.002","1667.5","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C27 H56 Ag0.5 F3 N O2 P2 Pt S -","- C27 H56 Ag0.5 F3 N O2 P2 Pt S -","- C54 H112 Ag F6 N2 O4 P4 Pt2 S2 -","2","1","","Hidalgo, Nereida; Maya, Celia; Campos, Jesús","Cooperative Activation of X-H (X = H, C, O, N) Bonds by a Pt(0)/Ag(I) Metal-Only Lewis Pair","Chemical Communications","2019","","","","","10.1039/C9CC03008E","","","0.56086","AgKα","","0.0623","0.0454","","","0.119","0.1352","","","","","","0.896","","","","has coordinates,has disorder","215289","2020-10-21","18:00:00",""
"7123494","8.5584","0.0012","13.122","0.002","48.577","0.007","90","","92.538","0.009","90","","5450","1.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H83 F9 N1.5 O6 P3 Pt1.5 S3 -","- C39 H83 F9 N1.5 O6 P3 Pt1.5 S3 -","- C156 H332 F36 N6 O24 P12 Pt6 S12 -","4","1","","Hidalgo, Nereida; Maya, Celia; Campos, Jesús","Cooperative Activation of X-H (X = H, C, O, N) Bonds by a Pt(0)/Ag(I) Metal-Only Lewis Pair","Chemical Communications","2019","","","","","10.1039/C9CC03008E","","","0.71073","MoKα","","0.0857","0.0567","","","0.1431","0.166","","","","","","0.982","","","","has coordinates","215289","2020-10-21","18:00:00",""
"7123495","17.395","0.0007","11.6828","0.0004","18.9417","0.0008","90","","107.26","0.002","90","","3676","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 F6 N O5 P2 Pt S2 -","- C26 H57 F6 N O5 P2 Pt S2 -","- C104 H228 F24 N4 O20 P8 Pt4 S8 -","4","1","","Hidalgo, Nereida; Maya, Celia; Campos, Jesús","Cooperative Activation of X-H (X = H, C, O, N) Bonds by a Pt(0)/Ag(I) Metal-Only Lewis Pair","Chemical Communications","2019","","","","","10.1039/C9CC03008E","","","0.56086","AgKα","","0.0494","0.0343","","","0.0997","0.1127","","","","","","0.81","","","","has coordinates","215289","2020-10-21","18:00:00",""
"7123496","11.4375","0.0006","16.5694","0.0009","17.6644","0.0009","90","","102.02","0.002","90","","3274.2","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H108 Ag2 F6 O6 P4 Pt2 S2 -","- C50 H108 Ag2 F6 O6 P4 Pt2 S2 -","- C100 H216 Ag4 F12 O12 P8 Pt4 S4 -","2","0.5","","Hidalgo, Nereida; Maya, Celia; Campos, Jesús","Cooperative Activation of X-H (X = H, C, O, N) Bonds by a Pt(0)/Ag(I) Metal-Only Lewis Pair","Chemical Communications","2019","","","","","10.1039/C9CC03008E","","","0.56086","AgKα","","0.0777","0.0478","","","0.1263","0.1487","","","","","","0.948","","","","has coordinates,has disorder","215289","2020-10-21","18:00:00",""
"7123497","21.294","0.002","15.9689","0.0016","21.9021","0.0019","90","","90","","90","","7447.6","1.2","296","2","296","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C26 H54 Ag F6 N O4 P2 Pt S2 -","- C26 H54 Ag F6 N O4 P2 Pt S2 -","- C208 H432 Ag8 F48 N8 O32 P16 Pt8 S16 -","8","1","","Hidalgo, Nereida; Maya, Celia; Campos, Jesús","Cooperative Activation of X-H (X = H, C, O, N) Bonds by a Pt(0)/Ag(I) Metal-Only Lewis Pair","Chemical Communications","2019","","","","","10.1039/C9CC03008E","","","0.71073","MoKα","","0.068","0.046","","","0.158","0.1741","","","","","","1.265","","","","has coordinates,has disorder","215289","2020-10-21","18:00:00",""
"7123498","15.961","0.007","9.628","0.004","24.03","0.01","90","","103.677","0.009","90","","3588","3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cl3 F3 N2 O3 S -","- C40 H28 Cl3 F3 N2 O3 S -","- C160 H112 Cl12 F12 N8 O12 S4 -","4","1","","Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta","Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs","Chemical Communications","2019","","","","","10.1039/C9CC02710F","","","0.71073","MoKα","","0.3457","0.1452","","","0.3339","0.4242","","","","","","1.09","","","","has coordinates","215334","2020-10-21","18:00:00",""
"7123499","10.6172","0.0005","12.7911","0.0007","14.6372","0.0007","102.793","0.004","106.868","0.003","96.17","0.004","1823.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 F3 N2 O3 S -","- C45 H31 F3 N2 O3 S -","- C90 H62 F6 N4 O6 S2 -","2","1","","Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta","Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs","Chemical Communications","2019","","","","","10.1039/C9CC02710F","","","0.71073","MoKα","","0.1744","0.1189","","","0.3443","0.4055","","","","","","1.337","","","","has coordinates","215334","2020-10-21","18:00:00",""
"7123500","9.4555","0.0015","12.671","0.002","13.141","0.002","89.372","0.007","83.024","0.008","70.301","0.007","1470.6","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 F3 N2 O4 S -","- C31 H27 F3 N2 O4 S -","- C62 H54 F6 N4 O8 S2 -","2","1","","Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta","Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs","Chemical Communications","2019","","","","","10.1039/C9CC02710F","","","0.71073","MoKα","","0.2602","0.169","","","0.4462","0.4905","","","","","","1.644","","","","has coordinates","215334","2020-10-21","18:00:00",""
"7123501","12.0477","0.0013","13.2688","0.0015","13.3384","0.0013","73.55","0.004","79.747","0.004","77.163","0.004","1978.7","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl3 N5 -","- C50 H34 Cl3 N5 -","- C100 H68 Cl6 N10 -","2","1","","Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta","Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs","Chemical Communications","2019","","","","","10.1039/C9CC02710F","","","0.71073","MoKα","","0.2775","0.1369","","","0.2593","0.3156","","","","","","1.066","","","","has coordinates","215334","2020-10-21","18:00:00",""
"7123502","13.2046","0.0002","13.3746","0.0002","16.1248","0.0003","77.07","0.001","72.296","0.001","71.959","0.001","2552.96","0.07","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 F3 N4 O3 Rh S -","- C60 H46 Cl2 F3 N4 O3 Rh S -","- C120 H92 Cl4 F6 N8 O6 Rh2 S2 -","2","1","","Karak, Pirudhan; Dutta, Champak; Dutta, Tanoy; Koner, Apurba Lal; Choudhury, Joyanta","Orchestrated catalytic double rollover annulation: Rapid access to N-enriched cationic and neutral PAHs","Chemical Communications","2019","","","","","10.1039/C9CC02710F","","","0.71073","MoKα","","0.0543","0.0448","","","0.1139","0.1209","","","","","","1.056","","","","has coordinates","215334","2020-10-21","18:00:00",""
"7123503","33.9147","0.0012","18.5857","0.0008","29.5768","0.001","90","","106.765","0.002","90","","17850.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H163 Eu5 N8 O88 P6 -","- C84 H51 Eu5 N6 O42 P6 -","- C336 H204 Eu20 N24 O168 P24 -","4","0.5","","Li, Bei-Bei; Wang, Wenjing; Hong, Zixiao; M. El-Sayed, El-Sayed; Yuan, Daqiang","Ratiometric fluorescent detecting trace water in organic solvent based on bimetallic lanthanide metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC02324K","","","1.54178","CuKα","","0.0844","0.0688","","","0.2121","0.2283","","","","","","1.097","","","","has coordinates,has disorder","215335","2020-10-21","18:00:00",""
"7123504","34.1382","0.001","18.204","0.0011","29.7178","0.0013","90","","107.899","0.004","90","","17574.3","1.5","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H152 N7 O86 P6 Tb5 -","- C84 H51 N6 O42 P6 Tb5 -","- C336 H204 N24 O168 P24 Tb20 -","4","0.5","","Li, Bei-Bei; Wang, Wenjing; Hong, Zixiao; M. El-Sayed, El-Sayed; Yuan, Daqiang","Ratiometric fluorescent detecting trace water in organic solvent based on bimetallic lanthanide metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC02324K","","","1.54184","CuKα","","0.1504","0.0797","","","0.213","0.2558","","","","","","0.966","","","","has coordinates,has disorder","215335","2020-10-21","18:00:00",""
"7123505","23.496","0.005","5.656","0.0011","19.914","0.004","90","","112.55","0.03","90","","2444.1","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 O0.5 -","- C27 H36 N3 O0.5 -","- C108 H144 N12 O2 -","4","1","","Kim, Youngsuk; Bielawski, Christopher W.; Lee, Eunsung","Oxygen atom transfer: A mild and efficient method for generating iminyl radicals","Chemical Communications","2019","","","","","10.1039/C9CC03521D","","","0.7","synchrotron","","0.0686","0.0627","","","0.17","0.175","","","","","","1.039","","","","has coordinates,has disorder","215361","2020-10-21","18:00:00",""
"7123506","12.5917","0.0007","7.9965","0.0004","14.3252","0.0008","90","","98.469","0.006","90","","1426.67","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs2 H4 I9 Nb O28 -","- Cs2 I9 Nb O28 -","- Cs4 I18 Nb2 O56 -","2","1","","Mao, Fei Fei; Hu, Chun-Li; Chen, Jin; Tang, Ruling; Wu, BaoLin; Mao, Jiang-Gao","(H3O)HCs2Nb(IO3)9 and SrNbO(IO3)5: A Facile Synthetic Method of Using Hydrofluoric Acid as Solubilizer","Chemical Communications","2019","","","","","10.1039/C9CC02774B","","","0.71073","MoKα","","0.0414","0.038","","","0.0817","0.085","","","","","","1.039","","","","has coordinates","215362","2020-10-21","18:00:00",""
"7123507","7.6258","0.0002","18.211","0.0005","10.6126","0.0003","90","","92.253","0.002","90","","1472.67","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- I10 Nb2 O32 Sr2 -","- I10 Nb2 O32 Sr2 -","- I20 Nb4 O64 Sr4 -","2","0.5","","Mao, Fei Fei; Hu, Chun-Li; Chen, Jin; Tang, Ruling; Wu, BaoLin; Mao, Jiang-Gao","(H3O)HCs2Nb(IO3)9 and SrNbO(IO3)5: A Facile Synthetic Method of Using Hydrofluoric Acid as Solubilizer","Chemical Communications","2019","","","","","10.1039/C9CC02774B","","","1.54178","CuKα","","0.0538","0.0409","","","0.0993","0.1099","","","","","","1.055","","","","has coordinates","215362","2020-10-21","18:00:00",""
"7123508","7.5129","0.0008","10.456","0.0007","24.907","0.002","90","","90","","90","","1956.6","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Fe N O Si -","- C21 H27 Fe N O Si -","- C84 H108 Fe4 N4 O4 Si4 -","4","1","","Barth, Eva Rebecca; Krupp, Anna; Langenohl, Felix; Brieger, Lukas; Strohmann, Carsten","Kinetically controlled asymmetric synthesis of silicon-stereogenic methoxy silanes using a planar chiral ferrocene backbone","Chemical Communications","2019","","","","","10.1039/C9CC03619A","","x-ray","0.71073","MoKα","","0.0241","0.0238","","","0.0626","0.0627","","","","","","1.083","","","","has coordinates,has disorder","215363","2020-10-21","18:00:00",""
"7123509","10.6336","0.0003","10.6336","0.0003","22.522","0.0007","90","","90","","120","","2205.46","0.11","173.05","0.1","173.05","0.1","","","","","","","","7","P 32","P 32","145","","","","- C23 H34 B F6 N3 O6 S2 -","- C23 H34 B F6 N3 O6 S2 -","- C69 H102 B3 F18 N9 O18 S6 -","3","1","","Mercea, Dan; Howlett, Michael; Piascik, Adam D.; Scott, Daniel; Steven, Alan; Ashley, Andrew Edward; Fuchter, Matthew","Enantioselective reduction of N-alkyl ketimines with frustrated Lewis pair catalysis using chiral borenium ions","Chemical Communications","2019","","","","","10.1039/C9CC02900A","","x-ray","0.71073","MoKα","","0.0703","0.0554","","","0.1139","0.1244","","","","","","1.046","","","","has coordinates,has disorder","215424","2020-10-21","18:00:00",""
"7123510","12.0838","0.0004","20.2609","0.0006","20.2692","0.0006","90","","107.13","0.002","90","","4742.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 Al Li N2 Si4 Y2 -","- C36 H76 Al Li N2 Si4 Y2 -","- C144 H304 Al4 Li4 N8 Si16 Y8 -","4","1","","Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner","Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization","Chemical Communications","2019","","","","","10.1039/C9CC02857A","","","0.71073","MoKα","","0.0794","0.0624","","","0.1575","0.1623","","","","","","1.066","","","","has coordinates,has disorder","215425","2020-10-21","18:00:00",""
"7123511","20.8047","0.0005","18.2082","0.0004","21.5805","0.0005","90","","117.893","0.001","90","","7225.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H61 Al N Si2 Y -","- C31 H61 Al N Si2 Y -","- C248 H488 Al8 N8 Si16 Y8 -","8","2","","Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner","Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization","Chemical Communications","2019","","","","","10.1039/C9CC02857A","","","0.71073","MoKα","","0.0559","0.0319","","","0.0661","0.0747","","","","","","0.929","","","","has coordinates,has disorder","215425","2020-10-21","18:00:00",""
"7123512","10.5894","0.0008","11.8158","0.0009","20.8872","0.0015","83.602","0.002","80.112","0.002","65.546","0.002","2341.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Al B F20 Y -","- C48 H36 Al B F20 Y -","- C96 H72 Al2 B2 F40 Y2 -","2","1","","Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner","Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization","Chemical Communications","2019","","","","","10.1039/C9CC02857A","","","0.71073","MoKα","","0.0368","0.0302","","","0.074","0.0767","","","","","","1.033","","","","has coordinates,has disorder","215425","2020-10-21","18:00:00",""
"7123513","9.622","0.003","14.892","0.009","16.656","0.005","97.74","0.02","98.209","0.016","107.16","0.02","2217.2","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H77 Al N O2 Si2 Y -","- C39 H77 Al N O2 Si2 Y -","- C78 H154 Al2 N2 O4 Si4 Y2 -","2","1","","Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner","Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization","Chemical Communications","2019","","","","","10.1039/C9CC02857A","","","0.71073","MoKα","","0.0299","0.0265","","","0.0669","0.0683","","","","","","1.035","","","","has coordinates,has disorder","215425","2020-10-21","18:00:00",""
"7123514","12.3276","0.0009","11.8951","0.0008","19.0841","0.0014","90","","107.151","0.002","90","","2674","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H49 Al -","- C27 H49 Al -","- C108 H196 Al4 -","4","1","","Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner","Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization","Chemical Communications","2019","","","","","10.1039/C9CC02857A","","","0.71073","MoKα","","0.0453","0.0364","","","0.0921","0.0987","","","","","","1.015","","","","has coordinates","215425","2020-10-21","18:00:00",""
"7123515","8.0089","0.0002","12.1459","0.0004","13.9061","0.0004","82.255","0.003","80.785","0.002","79.244","0.003","1304.11","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H22 Cl N5 O2 S -","- C29.5 H22 Cl N5 O2 S -","- C59 H44 Cl2 N10 O4 S2 -","2","1","","Tan, Jingyun; Wang, Chunfei; Lao, Hio Kuan; Wang, Wenjing; Feng, Gang; Yuan, Daqiang; Wu, Changfeng; Zhang, Xuanjun","Spiro[pyrrol-benzopyran] Based Probe with High Asymmetry for Chiroptical Sensing via Circular Dichroism","Chemical Communications","2019","","","","","10.1039/C9CC02946J","","","1.54184","CuKα","","0.0593","0.0577","","","0.1661","0.1679","","","","","","1.033","","","","has coordinates,has disorder","215426","2020-10-21","18:00:00",""
"7123516","9.1684","0.0003","12.0068","0.0003","14.3299","0.0004","100.589","0.002","91.9","0.002","105.332","0.002","1489.86","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[B(C6F5)2N(C6H5)C(O)N(C6H5)C(C6F5)O]","","- C32 H10 B F15 N2 O2 -","- C32 H10 B F15 N2 O2 -","- C64 H20 B2 F30 N4 O4 -","2","1","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0383","0.0333","","","0.0892","0.0952","","","","","","1.068","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123517","16.611","0.0005","10.363","0.0002","36.6152","0.0009","90","","103.06","0.002","90","","6139.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cyclo-[B(C6F5)2N(C10H11)C(O)N(C10H11)C(C6F5)O]","","- C32 H22 B F15 N2 O2 -","- C32 H22 B F15 N2 O2 -","- C256 H176 B8 F120 N16 O16 -","8","1","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0732","0.0678","","","0.2053","0.2117","","","","","","1.119","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123518","8.6371","0.0001","20.2199","0.0002","15.1359","0.0001","90","","93.888","0.001","90","","2637.27","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cyclo-[B(C6F5)2N(C3H6)C(O)N(C3H6)C(C6F5)O]","","- C26 H10 B F15 N2 O2 -","- C26 H10 B F15 N2 O2 -","- C104 H40 B4 F60 N8 O8 -","4","1","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0372","0.035","","","0.0913","0.0935","","","","","","1.027","","","","has coordinates,has disorder","215457","2020-10-21","18:00:00",""
"7123519","13.9196","0.0002","9.862","0.0002","22.3185","0.0005","90","","96.685","0.002","90","","3042.94","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cyclo-[B(C6F5)2N(C6H11)C(O)N(C6H5)C(C6F5)O]","","- C32 H16 B F15 N2 O2 -","- C32 H16 B F15 N2 O2 -","- C128 H64 B4 F60 N8 O8 -","4","1","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0545","0.0409","","","0.1081","0.12","","","","","","1.032","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123520","9.1546","0.0003","10.465","0.0003","32.5941","0.0009","89.932","0.002","87.734","0.002","64.836","0.003","2823.62","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[B(C6F5)2N(C3H6)C(O)N(C6H11)C(C6F5)O]","","- C29 H16 B F15 N2 O2 -","- C29 H16 B F15 N2 O2 -","- C116 H64 B4 F60 N8 O8 -","4","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0728","0.0697","","","0.1998","0.201","","","","","","1.174","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123521","15.0022","0.0001","12.8083","0.0002","17.2649","0.0002","90","","104.105","0.001","90","","3217.48","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","cyclo-[B(C6F5)2N(C6H4Cl)C(O)N(C6H10)C(C6F5)O]","","- C32 H15 B Cl F15 N2 O2 -","- C32 H15 B Cl F15 N2 O2 -","- C128 H60 B4 Cl4 F60 N8 O8 -","4","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0365","0.0335","","","0.0841","0.0873","","","","","","1.033","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123522","15.5607","0.0005","12.115","0.0003","33.7225","0.001","90","","93.091","0.003","90","","6348","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cyclo-[B(C6F5)2N(C6H4Br)C(O)N(C6H11)C(C6F5)O]","","- C32 H15 B Br F15 N2 O2 -","- C32 H15 B Br F15 N2 O2 -","- C256 H120 B8 Br8 F120 N16 O16 -","8","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0482","0.0392","","","0.0914","0.0959","","","","","","1.071","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123523","12.7339","0.0004","14.6283","0.0005","21.2277","0.0007","77.984","0.003","76.287","0.003","69.659","0.003","3567.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[B(C6F5)2N(C6H5)C(O)N(C6H11)C(C6F5)O]*0.75hex","","- C36.5 H26.5 B F15 N2 O2 -","- C36.5 H26.5 B F15 N2 O2 -","- C146 H106 B4 F60 N8 O8 -","4","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0613","0.045","","","0.112","0.1238","","","","","","1.016","","","","has coordinates,has disorder","215457","2020-10-21","18:00:00",""
"7123524","9.8455","0.0005","11.6923","0.0005","13.4043","0.0007","67.685","0.004","79.756","0.004","71.222","0.004","1348.79","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[Ga(C6F5)2N(C6H5)C(C6H11)OGa(C6F5)2N(C6H5)C(C6H11)O]*hex","","- C56 H24 F30 Ga2 N2 O2 -","- C56 H24 F30 Ga2 N2 O2 -","- C56 H24 F30 Ga2 N2 O2 -","1","0.5","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0375","0.0319","","","0.0809","0.0856","","","","","","1.037","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123525","12.7817","0.0001","16.7968","0.0001","18.1486","0.0002","90","","100.34","0.001","90","","3833.08","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cyclo-[B(C6F5)2N(C6H4NO2)C(O)N(C10H11)C(C6F5)O","","- C32 H15 B F15 N3 O4 -","- C32 H15 B F15 N3 O4 -","- C128 H60 B4 F60 N12 O16 -","4","1","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0433","0.0388","","","0.1049","0.1094","","","","","","1.028","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123526","9.5724","0.0002","15.9011","0.0003","41.7343","0.0006","90","","90","","90","","6352.4","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cyclo-[B(C6F5)2N(C3H5CF3)C(O)N(C6H11)C(C6F5)O]","","- C33 H15 B F18 N2 O2 -","- C33 H15 B F18 N2 O2 -","- C264 H120 B8 F144 N16 O16 -","8","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0547","0.0419","","","0.1008","0.111","","","","","","0.999","","","","has coordinates,has disorder","215457","2020-10-21","18:00:00",""
"7123527","11.8016","0.0003","14.1317","0.0003","17.4036","0.0005","78.018","0.002","75.621","0.002","80.479","0.002","2730.41","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[Al(C6F5)2N(C6H5)C(C6H11)OAl(C6F5)2N(C6H5)C(C6H11)O]*tol","","- C57 H18 Al2 F30 N2 O2 -","- C57 H18 Al2 F30 N2 O2 -","- C114 H36 Al4 F60 N4 O4 -","2","1","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.1156","0.1082","","","0.4124","0.4219","","","","","","1.999","","","","has coordinates,has disorder","215457","2020-10-21","18:00:00",""
"7123528","14.4113","0.0002","12.5047","0.0002","35.4165","0.0004","90","","91.059","0.001","90","","6381.28","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cyclo-[B(C6F5)2N(CH2C6H5)C(O)N(C6H11)C(C6F5)O]","","- C33 H18 B F15 N2 O2 -","- C33 H18 B F15 N2 O2 -","- C264 H144 B8 F120 N16 O16 -","8","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0554","0.0477","","","0.1134","0.1173","","","","","","1.137","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123529","15.4749","0.0002","12.2771","0.0001","33.3387","0.0003","90","","93.704","0.001","90","","6320.69","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cyclo-[B(C6F5)2N(C6H4OMe)C(O)N(C6H11)C(C6F5)O]","","- C33 H18 B F15 N2 O3 -","- C33 H18 B F15 N2 O3 -","- C264 H144 B8 F120 N16 O24 -","8","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0386","0.0328","","","0.0855","0.09","","","","","","1.023","","","","has coordinates","215457","2020-10-21","18:00:00",""
"7123530","7.946","0.004","13.016","0.006","11.246","0.004","90","","96.419","0.013","90","","1155.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MA2CoBr4","","- C2 H12 Br4 Co N2 -","- C2 H12 Br4 Co N2 -","- C8 H48 Br16 Co4 N8 -","4","1","","Babu, Ramavath; Vardhaman, Anil Kumar; Dhavale, Vishal M.; Giribabu, Lingamallu; Singh, Surya Prakash","MA2CoBr4: lead-free cobalt-based perovskite for electrochemical conversion of water to oxygen","Chemical Communications","2019","","","","","10.1039/C9CC00878K","","","0.71073","MoKα","","0.0467","0.0437","","","0.1223","0.1236","","","","","","1.129","","","","has coordinates","215458","2020-10-21","18:00:00",""
"7123531","6.0342","0.00009","11.41823","0.00012","11.96434","0.00012","90","","96.3702","0.001","90","","819.252","0.017","100","0.7","100","0.7","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H19 B O3 S -","- C18 H19 B O3 S -","- C36 H38 B2 O6 S2 -","2","1","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0261","0.0261","","","0.0692","0.0692","","","","","","1.102","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123532","6.4631","0.0001","10.9896","0.0002","11.8559","0.0003","90","","90.511","0.002","90","","842.05","0.03","100","0.9","100","0.9","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H19 B O2 S2 -","- C18 H19 B O2 S2 -","- C36 H38 B2 O4 S4 -","2","1","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0456","0.0455","","","0.1274","0.1275","","","","","","1.106","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123533","13.1723","0.0002","13.1966","0.0002","15.7921","0.0001","111.015","0.001","97.991","0.001","97.281","0.001","2490.93","0.06","100.1","0.9","100.1","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 B O3 S -","- C18 H19 B O3 S -","- C108 H114 B6 O18 S6 -","6","3","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0348","0.0335","","","0.0876","0.0885","","","","","","1.044","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123534","5.8619","0.0002","7.6914","0.0003","20.4081","0.0007","90","","90","","90","","920.12","0.06","110.2","0.8","110.2","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 O S -","- C12 H8 O S -","- C48 H32 O4 S4 -","4","1","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0683","0.0672","","","0.1929","0.1948","","","","","","1.088","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123535","17.0484","0.0003","10.3083","0.0001","29.8192","0.0004","90","","100.037","0.001","90","","5160.22","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Br4 Mn N2 -","- C18 H40 Br4 Mn N2 -","- C144 H320 Br32 Mn8 N16 -","8","2","","Gong, Liaokuo; Hu, Qianqian; Huang, Fuquan; Zhang, Zhi-Zhuan; Shen, Nan-Nan; Hu, Bing; Song, Ying; Wang, Ze-Ping; Du, Kezhao; Huang, Xiao-ying","Efficient modulation of photoluminescence by hydrogen bonding interactions among inorganic [MnBr4]2- anions and organic cations","Chemical Communications","2019","","","","","10.1039/C9CC03038G","","","1.54178","CuKα","","0.0539","0.0433","","","0.1065","0.1149","","","","","","1.015","","","","has coordinates","215501","2020-10-21","18:00:00",""
"7123536","32.1617","0.0006","10.0012","0.0002","34.9081","0.0006","90","","101.273","0.002","90","","11011.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 Mn N2 -","- C20 H44 Br4 Mn N2 -","- C320 H704 Br64 Mn16 N32 -","16","2","","Gong, Liaokuo; Hu, Qianqian; Huang, Fuquan; Zhang, Zhi-Zhuan; Shen, Nan-Nan; Hu, Bing; Song, Ying; Wang, Ze-Ping; Du, Kezhao; Huang, Xiao-ying","Efficient modulation of photoluminescence by hydrogen bonding interactions among inorganic [MnBr4]2- anions and organic cations","Chemical Communications","2019","","","","","10.1039/C9CC03038G","","","1.54178","CuKα","","0.1017","0.0791","","","0.1392","0.1505","","","","","","1.011","","","","has coordinates,has disorder","215501","2020-10-21","18:00:00",""
"7123537","10.063","0.002","15.927","0.003","16.581","0.003","86.837","0.008","74.753","0.005","78.205","0.009","2509.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cp-flexMOF(CN)","","- C88 H124 N32 Ni4 O16 -","- C88 H124 N32 Ni4 O16 -","- C88 H124 N32 Ni4 O16 -","1","0.5","","Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri","Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC02819F","","","0.7","synchrotron","","0.1338","0.0723","","","0.1769","0.2083","","","","","","0.977","","","","has coordinates","215502","2020-10-21","18:00:00",""
"7123538","9.819","0.003","15.316","0.003","16.301","0.003","90.994","0.01","103.45","0.007","90.421","0.01","2383.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cp-flexMOF(OH)","","- C80 H132 N24 Ni4 O24 -","- C80 H132 N24 Ni4 O24 -","- C80 H132 N24 Ni4 O24 -","1","0.5","","Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri","Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC02819F","","","0.7","synchrotron","","0.1226","0.0837","","","0.2282","0.2616","","","","","","1.002","","","","has coordinates","215502","2020-10-21","18:00:00",""
"7123539","9.829","0.003","14.867","0.003","16.595","0.004","90.112","0.007","78.434","0.01","87.888","0.01","2374","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cp-flexMOF(CH2)","","- C88 H132 N24 Ni4 O16 -","- C88 H132 N24 Ni4 O16 -","- C88 H132 N24 Ni4 O16 -","1","0.5","","Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri","Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC02819F","","","0.7","synchrotron","","0.1622","0.0852","","","0.2236","0.2702","","","","","","1.001","","","","has coordinates","215502","2020-10-21","18:00:00",""
"7123540","15.21","0.003","15.65","0.003","17.099","0.003","82.34","0.03","65.07","0.03","75.54","0.03","3572.2","1.5","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","as-flexMOF(OH)","","- C86 H146 N26 Ni4 O26 -","- C86 H144 N26 Ni4 O26 -","- C86 H144 N26 Ni4 O26 -","1","0.5","","Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri","Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC02819F","","","0.7","synchrotron","","0.124","0.0711","","","0.2121","0.2303","","","","","","0.908","","","","has coordinates,has disorder","215502","2020-10-21","18:00:00",""
"7123541","21.799","0.004","25.727","0.005","15.63","0.003","90","","93.86","0.03","90","","8746","3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","as-flexMOF(CN)","","- C44 H62 N16 Ni2 O8 -","- C44 H62 N16 Ni2 O8 -","- C176 H248 N64 Ni8 O32 -","4","0.5","","Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri","Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC02819F","","","0.7","synchrotron","","0.0649","0.0515","","","0.1618","0.1676","","","","","","1.097","","","","has coordinates","215502","2020-10-21","18:00:00",""
"7123542","12.92","0.003","32.634","0.007","15.617","0.003","90","","105.16","0.03","90","","6355","3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","as-flexMOF(CH2)","","- C48 H72 N14 Ni2 O8 -","- C48 H72 N14 Ni2 O8 -","- C192 H288 N56 Ni8 O32 -","4","0.5","","Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri","Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC02819F","","","0.61","synchrotron","","0.0873","0.0784","","","0.2657","0.2778","","","","","","1.127","","","","has coordinates,has disorder","215502","2020-10-21","18:00:00",""
"7123543","9.7914","0.0008","8.7889","0.0007","23.7221","0.0019","90","","99.268","0.001","90","","2014.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.0642","0.0589","","","0.1454","0.149","","","","","","1.167","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123544","13.6756","0.0013","15.9188","0.0015","8.9377","0.0008","90","","100.551","0.002","90","","1912.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.0362","0.0356","","","0.1028","0.1041","","","","","","0.888","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123545","14.4218","0.0011","10.7034","0.0008","15.0974","0.0011","90","","118.257","0.0013","90","","2052.8","0.3","293","","293","","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N3 O8 S -","- C20 H19 N3 O8 S -","- C80 H76 N12 O32 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.0649","0.0489","","","0.1286","0.1411","","","","","","1.021","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123546","10.7343","0.0011","12.8521","0.0013","15.5222","0.0015","90","","95.998","0.002","90","","2129.7","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 Br N2 O6 S -","- C20 H19 Br N2 O6 S -","- C80 H76 Br4 N8 O24 S4 -","4","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.1325","0.0685","","","0.1662","0.1998","","","","","","1.036","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123547","8.9731","0.0011","10.2645","0.0012","13.9133","0.0017","70","0.002","73.252","0.002","66.708","0.002","1088.6","0.2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H23 N2 O5 S -","- C22 H24 N2 O5 S -","- C44 H48 N4 O10 S2 -","2","1","","Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle","Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions","Chemical Communications","2019","","","","","10.1039/C9CC02924A","","x-ray","0.71073","MoKα","","0.0571","0.0523","","","0.1389","0.1433","","","","","","1.095","","","","has coordinates","215503","2020-10-21","18:00:00",""
"7123548","19.9716","0.0008","14.5395","0.0006","19.6731","0.0008","90","","117.54","","90","","5065.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H49 I21 N12 Ni2 Pb8 -","- C60 H48 I21 N12 Ni2 Pb8 -","- C120 H96 I42 N24 Ni4 Pb16 -","2","0.5","","Yue, Cheng-Yang; Yue, Yun-Di; Sun, Hai-Xiao; Li, Dong-Yang; Lin, Na; Wang, Xin-Ming; Jin, Ying-Xue; Dong, Yu-Han; Jing, Zhi-Hong; Lei, Xiao-Wu","Transition metal complex dye-sensitized 3D iodoplumbates: syntheses, structures and photoelectric properties","Chemical Communications","2019","","","","","10.1039/C9CC02301A","","","0.71073","MoKα","","0.1027","0.0622","","","0.1629","0.1878","","","","","","1.021","","","","has coordinates","215504","2020-10-21","18:00:00",""
"7123549","19.982","0.003","14.54","0.002","19.693","0.003","90","","117.564","0.002","90","","5072.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H49 Co2 I21 N12 Pb8 -","- C60 H48 Co2 I21 N12 Pb8 -","- C120 H96 Co4 I42 N24 Pb16 -","2","0.5","","Yue, Cheng-Yang; Yue, Yun-Di; Sun, Hai-Xiao; Li, Dong-Yang; Lin, Na; Wang, Xin-Ming; Jin, Ying-Xue; Dong, Yu-Han; Jing, Zhi-Hong; Lei, Xiao-Wu","Transition metal complex dye-sensitized 3D iodoplumbates: syntheses, structures and photoelectric properties","Chemical Communications","2019","","","","","10.1039/C9CC02301A","","","0.71073","MoKα","","0.0789","0.0656","","","0.1924","0.206","","","","","","1.052","","","","has coordinates","215504","2020-10-21","18:00:00",""
"7123550","19.9674","0.001","14.5362","0.0007","19.6748","0.001","90","","117.547","0.001","90","","5063.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H49 Fe2 I21 N12 Pb8 -","- C60 H48 Fe2 I21 N12 Pb8 -","- C120 H96 Fe4 I42 N24 Pb16 -","2","0.5","","Yue, Cheng-Yang; Yue, Yun-Di; Sun, Hai-Xiao; Li, Dong-Yang; Lin, Na; Wang, Xin-Ming; Jin, Ying-Xue; Dong, Yu-Han; Jing, Zhi-Hong; Lei, Xiao-Wu","Transition metal complex dye-sensitized 3D iodoplumbates: syntheses, structures and photoelectric properties","Chemical Communications","2019","","","","","10.1039/C9CC02301A","","","0.71073","MoKα","","0.0972","0.0647","","","0.1847","0.2054","","","","","","1.038","","","","has coordinates","215504","2020-10-21","18:00:00",""
"7123551","19.9782","0.0014","14.5401","0.001","19.6821","0.0013","90","","117.543","0.001","90","","5069.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H49 I21 Mn2 N12 Pb8 -","- C60 H48 I21 Mn2 N12 Pb8 -","- C120 H96 I42 Mn4 N24 Pb16 -","2","0.5","","Yue, Cheng-Yang; Yue, Yun-Di; Sun, Hai-Xiao; Li, Dong-Yang; Lin, Na; Wang, Xin-Ming; Jin, Ying-Xue; Dong, Yu-Han; Jing, Zhi-Hong; Lei, Xiao-Wu","Transition metal complex dye-sensitized 3D iodoplumbates: syntheses, structures and photoelectric properties","Chemical Communications","2019","","","","","10.1039/C9CC02301A","","","0.71073","MoKα","","0.1028","0.0633","","","0.1822","0.2088","","","","","","1.028","","","","has coordinates","215504","2020-10-21","18:00:00",""
"7123552","5.7422","0.0004","8.6225","0.0004","22.5087","0.0013","93.263","0.004","95.198","0.005","106.43","0.005","1060.57","0.11","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","5bd-dark","","","- C24 H22 F4 N2 O -","- C24 H22 F4 N2 O -","- C48 H44 F8 N4 O2 -","2","1","","Zhang, Xiaocui; Wu, Xueting; Jiang, Shichao; Gao, Jingshuo; Yao, Zhuojun; Deng, Jiajie; Zhang, Linmeng; Yu, Zhipeng","Photo-accelerated “Click” Reaction between Diarylsydnone and Ring-strained Alkyne for Bioorthogonal Ligation","Chemical Communications","2019","","","","","10.1039/C9CC02882J","","x-ray","0.71073","MoKα","","0.116","0.0656","","","0.1707","0.1993","","","","","","1.041","","","","has coordinates,has disorder","215505","2020-10-21","18:00:00",""
"7123553","9.854","0.003","10.995","0.004","13.297","0.005","96.31","0.02","98.53","0.02","100.45","0.03","1387.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N2 O4 -","- C35 H32 N2 O4 -","- C70 H64 N4 O8 -","2","1","","Saha, Jaideep; Singh, Kuldeep; Pramanik, Sourav; Hamlin, Trevor A.; Mondal, Biplab; Das, Dinabandhu","Lewis Acid Catalyzed Annulation of Spirocyclic Donor-Acceptor Cyclopropanes with exo-Heterocyclic Olefins: Access to Highly Functionalized bis-Spirocyclopentane Oxindole Frameworks","Chemical Communications","2019","","","","","10.1039/C9CC03393A","","","0.71073","MoKα","","0.0854","0.0667","","","0.1699","0.1834","","","","","","1.012","","","","has coordinates","215506","2020-10-21","18:00:00",""
"7123554","10.819","0.003","18.779","0.004","14.234","0.004","90","","111.21","0.008","90","","2696","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O2 -","- C34 H29 N3 O2 -","- C136 H116 N12 O8 -","4","1","","Saha, Jaideep; Singh, Kuldeep; Pramanik, Sourav; Hamlin, Trevor A.; Mondal, Biplab; Das, Dinabandhu","Lewis Acid Catalyzed Annulation of Spirocyclic Donor-Acceptor Cyclopropanes with exo-Heterocyclic Olefins: Access to Highly Functionalized bis-Spirocyclopentane Oxindole Frameworks","Chemical Communications","2019","","","","","10.1039/C9CC03393A","","","0.71073","MoKα","","0.0622","0.0456","","","0.1159","0.1286","","","","","","1.037","","","","has coordinates","215506","2020-10-21","18:00:00",""
"7123555","14.6308","0.0009","11.7018","0.0007","17.2952","0.001","90","","103.047","0.002","90","","2884.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O2 -","- C34 H29 N3 O2 -","- C136 H116 N12 O8 -","4","1","","Saha, Jaideep; Singh, Kuldeep; Pramanik, Sourav; Hamlin, Trevor A.; Mondal, Biplab; Das, Dinabandhu","Lewis Acid Catalyzed Annulation of Spirocyclic Donor-Acceptor Cyclopropanes with exo-Heterocyclic Olefins: Access to Highly Functionalized bis-Spirocyclopentane Oxindole Frameworks","Chemical Communications","2019","","","","","10.1039/C9CC03393A","","","0.71073","MoKα","","0.0547","0.043","","","0.1104","0.1205","","","","","","1.03","","","","has coordinates","215506","2020-10-21","18:00:00",""
"7123556","8.9148","0.0005","9.6905","0.0008","18.8528","0.0013","90","","90","","90","","1628.7","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B O4 -","- C14 H25 B O4 -","- C56 H100 B4 O16 -","4","1","","Bardell-Cox, Oliver A; White, Andrew J. P.; Aragón, Luis; Fuchter, Matthew J.","Synthetic studies on the reverse antibiotic natural products, the nybomycins.","MedChemComm","2019","10","8","1438","1444","10.1039/c9md00207c","","","0.71073","MoKα","","0.0646","0.0496","","","0.1048","0.1161","","","","","","1.063","","","","has coordinates,has disorder","224642","2020-10-21","18:00:00",""
"7123557","8.7064","0.0017","10.639","0.002","15.826","0.003","71.8","0.03","81.15","0.03","83.26","0.03","1372.2","0.5","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 B F2 O2 -","- C31 H29 B F2 O2 -","- C62 H58 B2 F4 O4 -","2","1","","Wang, Jian-Xin; Niu, Li-Ya; Chen, Peng-Zhong; Chen, Yu-Zhe; Yang, Qing-Zheng; Boulatov, Roman","Ratiometric O2 Sensing Based on Selective Self-Sensitized Photooxidation of Donor-Acceptor Fluorophores","Chemical Communications","2019","","","","","10.1039/C9CC03232K","","","0.71073","MoKα","","0.1012","0.0844","","","0.2162","0.2327","","","","","","1.094","","","","has coordinates,has disorder","215554","2020-10-21","18:00:00",""
"7123558","11.0612","0.0003","16.9769","0.0005","11.5356","0.0003","90","","114.213","0.001","90","","1975.64","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C76 H104 N8 O16 S4 -","4","1","","Baskaran, Sundarababu; D V, Kirana; Das, Kanak Kanti","Silver Oxide Mediated Novel SET Oxidative Cyclization: Stereoselective Synthesis of 3-Azabicyclo[n.1.0]alkanes","Chemical Communications","2019","","","","","10.1039/C9CC03647D","","","1.54178","CuKα","","0.0529","0.0439","","","0.1073","0.1132","","","","","","1.063","","","","has coordinates","215572","2020-10-21","18:00:00",""
"7123559","22.1076","0.0008","23.5213","0.0008","35.8807","0.0014","90","","90","","90","","18657.9","1.2","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C50 H106 Ba13 Cl34 N10 O78 Sb36 -","- C30 H36 Ba13 Cl34 N6 O54 Sb36 -","- C120 H144 Ba52 Cl136 N24 O216 Sb144 -","4","0.125","","Wu, Zhao-Feng; Hu, Bing; Fu, Zhi-hua; Wang, Hao; Xu, Gang; Gong, Liaokuo; Zou, Guo-Dong; Huang, Xiao-ying; Li, Jing","[Ba13Sb36Cl34O54]8-: High-nuclearity cluster for the assembly of nanocluster-based compounds","Chemical Communications","2019","","","","","10.1039/C9CC02145K","","","1.54178","CuKα","","0.0789","0.0722","","","0.1687","0.1732","","","","","","1.077","","","","has coordinates","215591","2020-10-21","18:00:00",""
"7123560","23.1283","0.001","23.1283","0.001","30.459","0.002","90","","90","","120","","14110.2","1.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H110 Ba13 Cl34 N10 O70 Sb36 -","- Ba13 Cl34 O54 Sb36 -","- Ba39 Cl102 O162 Sb108 -","3","0.166667","","Wu, Zhao-Feng; Hu, Bing; Fu, Zhi-hua; Wang, Hao; Xu, Gang; Gong, Liaokuo; Zou, Guo-Dong; Huang, Xiao-ying; Li, Jing","[Ba13Sb36Cl34O54]8-: High-nuclearity cluster for the assembly of nanocluster-based compounds","Chemical Communications","2019","","","","","10.1039/C9CC02145K","","","0.71073","MoKα","","0.1195","0.0639","","","0.1301","0.157","","","","","","1.075","","","","has coordinates","215591","2020-10-21","18:00:00",""
"7123561","7.0309","0.0005","11.6771","0.0007","13.3907","0.0007","80.602","0.005","83.475","0.005","88.358","0.005","1077.54","0.12","294.1","0.6","294.1","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 F N2 -","- C29 H21 F N2 -","- C58 H42 F2 N4 -","2","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0957","0.0765","","","0.2139","0.2441","","","","","","1.024","","","","has coordinates,has disorder","215592","2020-10-21","18:00:00",""
"7123562","7.3391","0.0004","10.1719","0.0005","13.947","0.0011","79.927","0.005","88.333","0.006","84.415","0.005","1020.19","0.11","293.52","0.1","293.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H19 F N2 -","- C29 H19 F N2 -","- C58 H38 F2 N4 -","2","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0677","0.0558","","","0.1599","0.1792","","","","","","1.034","","","","has coordinates","215592","2020-10-21","18:00:00",""
"7123563","13.0456","0.0008","8.3661","0.0004","19.3519","0.001","90","","108.897","0.006","90","","1998.2","0.2","295.5","0.11","295.5","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0948","0.0797","","","0.204","0.2282","","","","","","1.087","","","","has coordinates","215592","2020-10-21","18:00:00",""
"7123564","13.1052","0.0007","11.9832","0.0007","13.6414","0.0008","90","","98.808","0.006","90","","2117","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N O3 -","- C29 H19 N O3 -","- C116 H76 N4 O12 -","4","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.06","0.0532","","","0.1503","0.1601","","","","","","1.047","","","","has coordinates","215592","2020-10-21","18:00:00",""
"7123565","9.3487","0.0004","14.9382","0.0007","31.3522","0.0011","90","","90","","90","","4378.4","0.3","293.27","0.13","293.27","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H15 Br2 N O -","- C28 H15 Br2 N O -","- C224 H120 Br16 N8 O8 -","8","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0879","0.0746","","","0.2021","0.2194","","","","","","1.041","","","","has coordinates","215592","2020-10-21","18:00:00",""
"7123566","4.9223","0.0004","15.5634","0.0007","41.9514","0.0018","90","","90","","90","","3213.8","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0692","0.0603","","","0.1653","0.1742","","","","","","1.065","","","","has coordinates,has disorder","215592","2020-10-21","18:00:00",""
"7123567","11.2618","0.0004","17.9015","0.0005","10.006","0.0003","90","","96.529","0.003","90","","2004.16","0.11","283.73","0.1","283.73","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C112 H76 N4 O8 -","4","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0633","0.0535","","","0.1462","0.1582","","","","","","1.015","","","","has coordinates","215592","2020-10-21","18:00:00",""
"7123568","10.1019","0.0012","25.379","0.003","12.279","0.0013","90","","92.347","0.009","90","","3145.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 O5 -","- C38 H34 N2 O5 -","- C152 H136 N8 O20 -","4","1","","Li, Jian; Yuan, Hongdong; Tang, Chongrong; Su, Shikuan; Cui, Lei; Jia, Xueshun; Li, Chunju","Bicyclization reaction with two molecular allenyl ketones and isocyanides: a synthesis of lactone-containing azaspirocycle derivative","Chemical Communications","2019","","","","","10.1039/C9CC02785H","","","1.34138","GaKα","","0.0426","0.0376","","","0.0965","0.1","","","","","","1.051","","","","has coordinates","215609","2020-10-21","18:00:00",""
"7123569","16.2879","0.001","13.096","0.0006","29.2536","0.0017","90","","90","","90","","6240","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O3 -","- C38 H34 N2 O3 -","- C304 H272 N16 O24 -","8","1","","Li, Jian; Yuan, Hongdong; Tang, Chongrong; Su, Shikuan; Cui, Lei; Jia, Xueshun; Li, Chunju","Bicyclization reaction with two molecular allenyl ketones and isocyanides: a synthesis of lactone-containing azaspirocycle derivative","Chemical Communications","2019","","","","","10.1039/C9CC02785H","","","1.34138","GaKα","","0.0635","0.0464","","","0.1299","0.1459","","","","","","1.048","","","","has coordinates","215609","2020-10-21","18:00:00",""
"7123570","10.2024","0.0003","31.7463","0.001","6.5544","0.0002","90","","90","","90","","2122.89","0.11","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H24 Br N3 O4 -","- C20 H24 Br N3 O4 -","- C80 H96 Br4 N12 O16 -","4","1","","Deng, Wei-Ping; Deng, Hua; Jia, Renmeng; Yang, Wu-Lin; Yu, Xingxin","Ligand-Controlled Switch in Diastereoselectivities: Catalytic Asymmetric Construction of Spirocyclic Pyrrolidine-azetidine/oxe(thie)tane Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03589C","","","0.71073","MoKα","","0.0552","0.0369","","","0.0832","0.0905","","","","","","1.034","","","","has coordinates","215610","2020-10-21","18:00:00",""
"7123571","6.4829","0.0002","12.2525","0.0003","26.9553","0.0007","90","","90","","90","","2141.11","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N3 O4 -","- C20 H24 Br N3 O4 -","- C80 H96 Br4 N12 O16 -","4","1","","Deng, Wei-Ping; Deng, Hua; Jia, Renmeng; Yang, Wu-Lin; Yu, Xingxin","Ligand-Controlled Switch in Diastereoselectivities: Catalytic Asymmetric Construction of Spirocyclic Pyrrolidine-azetidine/oxe(thie)tane Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03589C","","","0.71073","MoKα","","0.0389","0.0322","","","0.0731","0.076","","","","","","1.042","","","","has coordinates","215610","2020-10-21","18:00:00",""
"7123572","12.3066","0.0004","17.3214","0.0006","15.9077","0.0005","90","","99.594","0.001","90","","3343.58","0.19","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","alpha-(PhS)8PcSi(OMe)2","alpha-(phenylthio)8phthalocyaninatosilicon dimethoxide","","- C82 H54 N8 O2 S8 Si -","- C82 H54 N8 O2 S8 Si -","- C164 H108 N16 O4 S16 Si2 -","2","0.5","","Furuyama, Taniyuki; Ishii, Takashi; Ieda, Naoya; Maeda, Hajime; Segi, Masahito; Uchiyama, Masanobu; Nakagawa, Hidehiko","Cationic axial ligands on sulfur substituted silicon(iv) phthalocyanines: improved hydrophilicity and exceptionally red-shifted absorption into the NIR region","Chemical Communications","2019","","","","","10.1039/C9CC03022K","","","1.54178","CuKα","","0.0791","0.0734","","","0.1884","0.195","","","","","","1.08","","","","has coordinates","215611","2020-10-21","18:00:00",""
"7123573","9.9404","0.0011","13.6413","0.0016","25.787","0.003","96.319","0.003","92.385","0.003","106.847","0.003","3316.4","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H94 Co2 Na2 O20 -","- C56 H94 Co2 Na2 O20 -","- C112 H188 Co4 Na4 O40 -","2","1","","Han, Haixiang; Zhou, Zheng; Carozza, Jesse C.; Lengyel, Jeff; Yao, Yuan; Wei, Zheng; Dikarev, Evgeny V.","From lithium to sodium: Design of heterometallic molecular precursors for the NaMO2 cathode materials","Chemical Communications","2019","","","","","10.1039/C9CC02836F","","","0.71073","MoKα","","0.0914","0.0441","","","0.0737","0.0877","","","","","","1.01","","","","has coordinates,has disorder","215612","2020-10-21","18:00:00",""
"7123574","9.9084","0.0011","13.7071","0.0016","25.702","0.003","96.38","0.003","92.531","0.003","106.949","0.003","3307.6","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H94 Na2 Ni2 O20 -","- C56 H94 Na2 Ni2 O20 -","- C112 H188 Na4 Ni4 O40 -","2","1","","Han, Haixiang; Zhou, Zheng; Carozza, Jesse C.; Lengyel, Jeff; Yao, Yuan; Wei, Zheng; Dikarev, Evgeny V.","From lithium to sodium: Design of heterometallic molecular precursors for the NaMO2 cathode materials","Chemical Communications","2019","","","","","10.1039/C9CC02836F","","","0.71073","MoKα","","0.0716","0.0394","","","0.0697","0.0796","","","","","","1.021","","","","has coordinates,has disorder","215612","2020-10-21","18:00:00",""
"7123575","9.9586","0.0004","13.6982","0.0005","25.8204","0.001","96.573","0.002","92.247","0.002","107.056","0.002","3335.4","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H94 Mg2 Na2 O20 -","- C56 H94 Mg2 Na2 O20 -","- C112 H188 Mg4 Na4 O40 -","2","1","","Han, Haixiang; Zhou, Zheng; Carozza, Jesse C.; Lengyel, Jeff; Yao, Yuan; Wei, Zheng; Dikarev, Evgeny V.","From lithium to sodium: Design of heterometallic molecular precursors for the NaMO2 cathode materials","Chemical Communications","2019","","","","","10.1039/C9CC02836F","","","1.54178","CuKα","","0.0866","0.0466","","","0.0989","0.1166","","","","","","1.01","","","","has coordinates,has disorder","215612","2020-10-21","18:00:00",""
"7123576","9.9939","0.0008","13.6299","0.0012","25.847","0.002","96.862","0.002","92.122","0.002","106.89","0.002","3335.2","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H94 Fe2 Na2 O20 -","- C56 H94 Fe2 Na2 O20 -","- C112 H188 Fe4 Na4 O40 -","2","1","","Han, Haixiang; Zhou, Zheng; Carozza, Jesse C.; Lengyel, Jeff; Yao, Yuan; Wei, Zheng; Dikarev, Evgeny V.","From lithium to sodium: Design of heterometallic molecular precursors for the NaMO2 cathode materials","Chemical Communications","2019","","","","","10.1039/C9CC02836F","","","0.71073","MoKα","","0.0493","0.0323","","","0.0667","0.0739","","","","","","1.025","","","","has coordinates,has disorder","215612","2020-10-21","18:00:00",""
"7123577","10.1019","0.001","10.2418","0.0011","11.659","0.0011","68.442","0.01","84.392","0.008","87.479","0.008","1116.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O5 -","- C29 H24 O5 -","- C58 H48 O10 -","2","1","","Zhu, Shifa; Zhang, Jiantao; Liao, Zhehui; Chen, Lianfen; Jiang, Huanfeng","Construction of polycyclic bridged indene derivatives by a tandem 1,3-rearrangement/intramolecular Friedel-Crafts cyclization of propargyl acetates","Chemical Communications","2019","","","","","10.1039/C9CC03715B","","x-ray","0.71073","MoKα","","0.0923","0.0721","","","0.1811","0.2026","","","","","","1.029","","","","has coordinates","215613","2020-10-21","18:00:00",""
"7123578","10.7102","0.0014","11.1405","0.0013","11.3689","0.0013","69.694","0.011","76.371","0.011","62.034","0.013","1119.3","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 Cl O5 -","- C25 H23 Cl O5 -","- C50 H46 Cl2 O10 -","2","1","","Zhu, Shifa; Zhang, Jiantao; Liao, Zhehui; Chen, Lianfen; Jiang, Huanfeng","Construction of polycyclic bridged indene derivatives by a tandem 1,3-rearrangement/intramolecular Friedel-Crafts cyclization of propargyl acetates","Chemical Communications","2019","","","","","10.1039/C9CC03715B","","x-ray","1.54184","CuKα","","0.1089","0.0971","","","0.2885","0.3048","","","","","","1.092","","","","has coordinates","215613","2020-10-21","18:00:00",""
"7123579","10.6945","0.0008","24.562","0.002","9.9544","0.0009","90","","98.892","0.007","90","","2583.4","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 O6 -","- C31 H28 O6 -","- C124 H112 O24 -","4","1","","Zhu, Shifa; Zhang, Jiantao; Liao, Zhehui; Chen, Lianfen; Jiang, Huanfeng","Construction of polycyclic bridged indene derivatives by a tandem 1,3-rearrangement/intramolecular Friedel-Crafts cyclization of propargyl acetates","Chemical Communications","2019","","","","","10.1039/C9CC03715B","","x-ray","0.71073","MoKα","","0.0895","0.0576","","","0.1177","0.1321","","","","","","1.056","","","","has coordinates","215613","2020-10-21","18:00:00",""
"7123580","27.5681","0.0004","27.5681","0.0004","27.5681","0.0004","90","","90","","90","","20951.8","0.5","175","2","175","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C44 H30 Cu5 N2 O23 -","- C44 H30 Cu5 N2 O23 -","- C264 H180 Cu30 N12 O138 -","6","0.125","","Liu, Jin-Hua; Lin, Li-Dan; Li, Xin-Xiong; Zhao, Dan; Sun, Yan-Qiong; Zheng, Shou-Tian","A nested Cu24@Cu72-based copper-organic polyhedral framework for selective adsorption of cationic dyes","Chemical Communications","2019","","","","","10.1039/C9CC03288F","","","1.54178","CuKα","","0.0465","0.04","","","0.124","0.1279","","","","","","1.098","","","","has coordinates","215614","2020-10-21","18:00:00",""
"7123581","27.5914","0.0002","27.5914","0.0002","27.5914","0.0002","90","","90","","90","","21004.9","0.3","175","2","175","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C44 H30 Cu5 N2 O23 -","- C44 H30 Cu5 N2 O23 -","- C264 H180 Cu30 N12 O138 -","6","0.125","","Liu, Jin-Hua; Lin, Li-Dan; Li, Xin-Xiong; Zhao, Dan; Sun, Yan-Qiong; Zheng, Shou-Tian","A nested Cu24@Cu72-based copper-organic polyhedral framework for selective adsorption of cationic dyes","Chemical Communications","2019","","","","","10.1039/C9CC03288F","","","1.54178","CuKα","","0.0669","0.0616","","","0.2032","0.21","","","","","","1.082","","","","has coordinates","215614","2020-10-21","18:00:00",""
"7123582","16.7276","0.0007","5.4692","0.0002","17.8067","0.0008","90","","103.573","0.002","90","","1583.58","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","(2R,4aR,9bR)-4a-methyl-2-((E)-styryl)-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b]benzofuran","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Lux, Michaelyn C.; Boby, Melissa L.; Brooks, Joshua L.; Tan, Derek S.","Synthesis of bicyclic ethers by a palladium-catalyzed oxidative cyclization-redox relay-π-allyl-Pd cyclization cascade reaction.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc03775f","","","1.54178","CuKα","","0.0335","0.0325","","","0.0879","0.0888","","","","","","1.067","","","","has coordinates","215641","2020-10-21","18:00:00",""
"7123583","12.7055","0.0006","19.5133","0.0007","25.8602","0.0007","86.322","0.002","77.79","0.003","88.585","0.003","6253.1","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C98 H67 F24 Fe4 N9 Pd2 Sb4 -","- C98 H67 F24 Fe4 N9 Pd2 Sb4 -","- C196 H134 F48 Fe8 N18 Pd4 Sb8 -","2","1","","Vasdev, Roan A. S.; Findlay, James A.; Garden, Anna L.; Crowley, James D.","Redox Active [Pd2L4]4+ Cages Constructed from Rotationally Flexible 1,1′-Disubstituted Ferrocene Ligands","Chemical Communications","2019","","","","","10.1039/C9CC03321A","","x-ray","1.54184","CuKα","","0.1449","0.1134","","","0.3057","0.3436","","","","","","1.154","","","","has coordinates,has disorder","215642","2020-10-21","18:00:00",""
"7123584","14.7833","0.0009","15.2557","0.0013","21.7631","0.001","78.15","0.005","89.339","0.004","85.522","0.006","4788.9","0.6","99.97","0.11","99.97","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C100 H70 B4 F16 Fe4 N10 Pd2 -","- C100 H70 B4 F16 Fe4 N10 Pd2 -","- C200 H140 B8 F32 Fe8 N20 Pd4 -","2","1","","Vasdev, Roan A. S.; Findlay, James A.; Garden, Anna L.; Crowley, James D.","Redox Active [Pd2L4]4+ Cages Constructed from Rotationally Flexible 1,1′-Disubstituted Ferrocene Ligands","Chemical Communications","2019","","","","","10.1039/C9CC03321A","","x-ray","1.54184","CuKα","","0.1231","0.0822","","","0.1908","0.22","","","","","","1.014","","","","has coordinates","215642","2020-10-21","18:00:00",""
"7123585","5.9624","0.0003","8.0092","0.0004","28.9234","0.0016","90","","90","","90","","1381.21","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-2-(4-methylstyryl)quinoline","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","1","","Banerjee, Debasis; Das, Jagadish; VELLAKKARAN, MARI","Nickel-Catalysed Direct α-Olefination of Alkyl Substituted N-Heteroarenes with Alcohols","Chemical Communications","2019","","","","","10.1039/C9CC03591E","","","0.71073","MoKα","","0.1487","0.0684","","","0.1735","0.2304","","","","","","0.955","","","","has coordinates","215643","2020-10-21","18:00:00",""
"7123586","12.6764","0.0002","12.0574","0.0001","20.0284","0.0002","90","","95.042","0.001","90","","3049.38","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H12.18 Cl N3 O3.59 Re -","- C13 H12.176 Cl N3 O3.588 Re -","- C104 H97.408 Cl8 N24 O28.704 Re8 -","8","1","","Coulson, Ben; Issacs, Mark; Lari, Leonardo; Douthwaite, Richard E. E.; Duhme-klair, Anne-Kathrin","Carbon Nitride as a Ligand: Edge-Site Coordination of ReCl(CO)3-fragments to g-C3N4","Chemical Communications","2019","","","","","10.1039/C9CC02197C","","x-ray","0.71073","MoKα","","0.0291","0.0254","","","0.0511","0.0525","","","","","","1.102","","","","has coordinates,has disorder","215667","2020-10-21","18:00:00",""
"7123587","8.244","0.003","8.741","0.004","15.818","0.006","90","","104.992","0.013","90","","1101.1","0.8","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C50 H50 N2 O6 S2 -","2","1","","Breit, Bernhard; Wang, Yu-Hsuan","Chemo-, Regio-, and Enantioselective Synthesis of Allylic Nitrones via Rhodium-Catalyzed Addition of Oximes to Allenes","Chemical Communications","2019","","","","","10.1039/C9CC03391B","","x-ray","0.71073","MoKα","","0.0305","0.0293","","","0.0688","0.0696","","","","","","1.035","","","","has coordinates","215668","2020-10-21","18:00:00",""
"7123588","5.15285","0.00017","11.3914","0.0005","26.4345","0.001","90","","90","","90","","1551.66","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Qiao, Baokun; Li, Chunyang; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong","Enantioselective reduction of azaarene-based ketones via visible light-driven photoredox asymmetric catalysis","Chemical Communications","2019","","","","","10.1039/C9CC03661J","","x-ray","1.54184","CuKα","","0.0759","0.0669","","","0.1777","0.1906","","","","","","1.045","","","","has coordinates","215669","2020-10-21","18:00:00",""
"7123589","7.8352","0.0004","11.9524","0.0007","12.524","0.0007","86.602","0.002","78.708","0.002","75.444","0.002","1113.18","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N4 O2 -","- C28 H20 N4 O2 -","- C56 H40 N8 O4 -","2","1","","Shi, Min; Liu, Ruixing; Wei, Yin","Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives with alkylidenecyclopropanes via C−H activation","Chemical Communications","2019","","","","","10.1039/C9CC03134K","","","0.71073","MoKα","","0.0536","0.0414","","","0.1021","0.1125","","","","","","1.02","","","","has coordinates","215689","2020-10-21","18:00:00",""
"7123590","10.944","0.003","15.225","0.004","22.273","0.007","90","","102.963","0.008","90","","3616.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 -","- C22 H18 F N3 -","- C176 H144 F8 N24 -","8","2","","Shi, Min; Liu, Ruixing; Wei, Yin","Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives with alkylidenecyclopropanes via C−H activation","Chemical Communications","2019","","","","","10.1039/C9CC03134K","","","0.71073","MoKα","","0.1199","0.0591","","","0.1286","0.1655","","","","","","1.044","","","","has coordinates","215689","2020-10-21","18:00:00",""
"7123591","16.8665","0.0006","10.9079","0.0004","20.9932","0.0007","90","","107.102","0.001","90","","3691.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 I8 N4 O4 Sb2 -","- C16 H30 I8 N4 O4 Sb2 -","- C64 H120 I32 N16 O16 Sb8 -","4","1","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0646","0.0336","","","0.0577","0.0679","","","","","","1.06","","","","has coordinates","215690","2020-10-21","18:00:00",""
"7123592","28.114","0.005","11.329","0.002","19.332","0.003","90","","90","","90","","6157.3","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H57 I12 N6 O6 Sb3 -","- C30 H57 I12 N6 O6 Sb3 -","- C120 H228 I48 N24 O24 Sb12 -","4","1","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0858","0.0442","","","0.0583","0.0676","","","","","","1.04","","","","has coordinates","215690","2020-10-21","18:00:00",""
"7123593","15.1734","0.0008","30.0131","0.0016","9.0791","0.0004","90","","90","","90","","4134.6","0.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H30 I9 N4 O4 Sb2 -","- C12 H30 I9 N4 O4 Sb2 -","- C48 H120 I36 N16 O16 Sb8 -","4","0.5","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0614","0.0356","","","0.0651","0.0707","","","","","","1.024","","","","has coordinates,has disorder","215690","2020-10-21","18:00:00",""
"7123594","15.6538","0.0005","28.4872","0.001","10.8182","0.0004","90","","90","","90","","4824.2","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H38 I9 N4 O4 Sb2 -","- C16 H38 I9 N4 O4 Sb2 -","- C64 H152 I36 N16 O16 Sb8 -","4","0.5","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0811","0.0427","","","0.0774","0.0851","","","","","","1.106","","","","has coordinates,has disorder","215690","2020-10-21","18:00:00",""
"7123595","9.2367","0.0004","10.2565","0.0005","11.0747","0.0006","104.851","0.0017","109.513","0.0015","108.199","0.0015","859.89","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19.9 N O0.45 -","- C24 H19.9 N O0.45 -","- C48 H39.8 N2 O0.9 -","2","1","","Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng","FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines","Chemical Communications","2019","","","","","10.1039/C9CC03375K","","x-ray","0.71073","MoKα","","0.0598","0.0425","","","0.102","0.1139","","","","","","1.005","","","","has coordinates","215691","2020-10-21","18:00:00",""
"7123596","4.5356","0.0004","17.134","0.0014","17.5416","0.0014","90","","90","","90","","1363.2","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Debenzolyation","","- C17 H11 N -","- C17 H11 N -","- C68 H44 N4 -","4","1","","Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng","FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines","Chemical Communications","2019","","","","","10.1039/C9CC03375K","","x-ray","0.71073","MoKα","","0.0781","0.0509","","","0.1307","0.1496","","","","","","1.032","","","","has coordinates","215691","2020-10-21","18:00:00",""
"7123597","20.9893","0.0008","11.0183","0.0004","11.5218","0.0004","90","","97.8192","0.0016","90","","2639.83","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C136 H104 N8 -","4","0.5","","Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng","FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines","Chemical Communications","2019","","","","","10.1039/C9CC03375K","","x-ray","0.71073","MoKα","","0.0688","0.0531","","","0.1434","0.1544","","","","","","1.024","","","","has coordinates","215691","2020-10-21","18:00:00",""
"7123598","29.6855","0.0015","29.6855","0.0015","11.124","0.002","90","","90","","120","","8489.5","1.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C23 H16 F N O2 -","- C23 H16 F N O2 -","- C414 H288 F18 N18 O36 -","18","1","","Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng","FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines","Chemical Communications","2019","","","","","10.1039/C9CC03375K","","x-ray","0.71073","MoKα","","0.0912","0.0523","","","0.0995","0.1127","","","","","","1.06","","","","has coordinates","215691","2020-10-21","18:00:00",""
"7123599","13.8321","0.0007","8.4887","0.0003","30.2097","0.0013","90","","90","","90","","3547.1","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C168 H176 O40 -","8","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0572","0.04","","","0.0906","0.099","","","","","","1.031","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123600","13.7677","0.0008","10.5053","0.0009","25.8983","0.0016","90","","90","","90","","3745.8","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Br O4 -","- C21 H23 Br O4 -","- C168 H184 Br8 O32 -","8","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0498","0.0366","","","0.0796","0.0843","","","","","","1.076","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123601","7.08","0.0002","8.7733","0.0003","28.3213","0.0008","90","","90","","90","","1759.18","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0462","0.0388","","","0.0832","0.0863","","","","","","1.052","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123602","34.8683","0.0005","17.74684","0.00015","35.1729","0.0005","90","","118.533","0.002","90","","19121.5","0.6","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H140 F6 N O12 P -","- C104 H140 F6 N O12 P1.0005 -","- C832 H1120 F48 N8 O96 P8.004 -","8","2","","Chai, Hongxin; Pan, Zhi-Sheng; Yang, Liu-Pan; He, Shan; Pan, Fangfang; Rissanen, Kari; Jiang, Wei","Probing the Guest-Binding Preference of Three Structurally Similar and Conformationally Adaptive Macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC03341F","","x-ray","1.54184","CuKα","","0.1113","0.0948","","","0.2741","0.296","","","","","","1.03","","","","has coordinates,has disorder","215734","2020-10-21","18:00:00",""
"7123603","17.6647","0.0007","24.7902","0.001","26.8978","0.0011","76.681","0.003","82.212","0.003","86.269","0.003","11349.3","0.8","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C234 H319 F24 N13 O24 P4 -","- C234 H318.999 F24 N13 O24 P4 -","- C468 H637.999 F48 N26 O48 P8 -","2","1","","Chai, Hongxin; Pan, Zhi-Sheng; Yang, Liu-Pan; He, Shan; Pan, Fangfang; Rissanen, Kari; Jiang, Wei","Probing the Guest-Binding Preference of Three Structurally Similar and Conformationally Adaptive Macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC03341F","","x-ray","0.71073","MoKα","","0.2346","0.1109","","","0.269","0.3682","","","","","","1.017","","","","has coordinates,has disorder","215734","2020-10-21","18:00:00",""
"7123604","21.4227","0.001","25.9716","0.0016","31.1544","0.0013","74.34","0.005","82.06","0.004","73.651","0.005","15979.2","1.5","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C335 H448.5 F36 N17.5 O36 P6 -","- C315 H418.5 F36 N7.5 O36 P6 -","- C630 H837 F72 N15 O72 P12 -","2","1","","Chai, Hongxin; Pan, Zhi-Sheng; Yang, Liu-Pan; He, Shan; Pan, Fangfang; Rissanen, Kari; Jiang, Wei","Probing the Guest-Binding Preference of Three Structurally Similar and Conformationally Adaptive Macrocycles","Chemical Communications","2019","","","","","10.1039/C9CC03341F","","x-ray","1.54184","CuKα","","0.2449","0.1503","","","0.3735","0.4754","","","","","","1.096","","","","has coordinates,has disorder","215734","2020-10-21","18:00:00",""
"7123605","4.6593","0.0002","10.5631","0.0003","19.8391","0.0007","97.467","0.002","92.052","0.003","91.741","0.002","966.91","0.06","100","2","100.09","","","","","","","","","5","P -1","-P 1","2","","FuA_11","","- C17 H30 F N3 O4 -","- C17 H30 F N3 O4 -","- C34 H60 F2 N6 O8 -","2","1","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","1.54178","CuKα","","0.0834","0.0531","","","0.1285","0.1493","","","","","","1.038","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123606","8.8667","0.0006","9.0125","0.0006","20.1479","0.0011","89.377","0.002","80.718","0.002","88.288","0.002","1588.22","0.17","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","FuA_12","","- C30 H59 F N4 O4 -","- C30 H59 F N4 O4 -","- C60 H118 F2 N8 O8 -","2","1","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","0.71073","MoKα","","0.0984","0.0576","","","0.1432","0.177","","","","","","1.039","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123607","4.7844","0.0002","10.4899","0.0003","21.3123","0.0007","82.522","0.002","87.079","0.002","88.45","0.002","1058.92","0.06","115","2","115.14","","","","","","","","","5","P 1","P 1","1","","FuA_14","","- C20 H36 F N3 O4 -","- C20 H36 F N3 O4 -","- C40 H72 F2 N6 O8 -","2","2","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","1.54178","CuKα","","0.0605","0.0473","","","0.113","0.1267","","","","","","1.032","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123608","8.8655","0.0011","9.0075","0.0011","18.138","0.002","87.057","0.002","76.644","0.002","88.318","0.002","1407.2","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","FuA_10","","- C26 H51 F N4 O4 -","- C26 H51 F N4 O4 -","- C52 H102 F2 N8 O8 -","2","1","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","0.71073","MoKα","","0.0638","0.0377","","","0.0788","0.0919","","","","","","1.044","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123609","4.6735","0.0007","10.5865","0.0015","17.88","0.003","100.883","0.002","96.135","0.002","91.952","0.002","862.4","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","FuA_9","","- C15 H26 F N3 O4 -","- C15 H26 F N3 O4 -","- C30 H52 F2 N6 O8 -","2","1","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","0.71073","MoKα","","0.1002","0.0498","","","0.0978","0.1214","","","","","","1.021","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123610","4.7775","0.0004","10.4402","0.0009","45.66","0.003","88.427","0.003","88.793","0.002","88.556","0.003","2275.4","0.3","106","2","105.94","","","","","","","","","5","P -1","-P 1","2","","FuA_15","","- C21 H38 F N3 O4 -","- C21 H38 F N3 O4 -","- C84 H152 F4 N12 O16 -","4","2","","Dastidar, Parthasarathi; Chakraborty, Poulami","An Easy Access to Topical Gels of an Anti-cancer Prodrug (5-Flurouracil Acetic Acid) for Self-drug-delivery Applications","Chemical Communications","2019","","","","","10.1039/C9CC03037A","","","0.71073","MoKα","","0.1374","0.0776","","","0.1538","0.1723","","","","","","1.16","","","","has coordinates","215759","2020-10-21","18:00:00",""
"7123611","12.437","0.005","13.261","0.005","15.817","0.005","65.236","0.005","78.258","0.005","86.781","0.005","2318","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H92 Cl18 N8 Ni2 Sb4 -","- C76 H92 Cl18 N8 Ni2 Sb4 -","- C76 H92 Cl18 N8 Ni2 Sb4 -","1","0.5","","Pandey, Anjani Kumar; Usman, Mohammad; Rath, Sankar Prasad","Counter Ion Triggers Stabilization of Two Geometrical Isomers of a Ni(II)dication Diradical Porphyrin Dimer: Role of Anion-π Interactions","Chemical Communications","2019","","","","","10.1039/C9CC02902H","","","0.71069","MoKα","","0.0915","0.058","","","0.1439","0.1615","","","","","","1.026","","","","has coordinates,has disorder","215760","2020-10-21","18:00:00",""
"7123612","12.7607","0.0011","17.1587","0.0015","20.3195","0.0017","89.078","0.003","87.221","0.002","82.48","0.002","4405.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H92 Cl16 N8 Ni2 O Sb2 -","- C76 H92 Cl16 N8 Ni2 O Sb2 -","- C152 H184 Cl32 N16 Ni4 O2 Sb4 -","2","1","","Pandey, Anjani Kumar; Usman, Mohammad; Rath, Sankar Prasad","Counter Ion Triggers Stabilization of Two Geometrical Isomers of a Ni(II)dication Diradical Porphyrin Dimer: Role of Anion-π Interactions","Chemical Communications","2019","","","","","10.1039/C9CC02902H","","","0.71073","MoKα","","0.1488","0.0835","","","0.2108","0.2484","","","","","","1.043","","","","has coordinates,has disorder","215760","2020-10-21","18:00:00",""
"7123613","15.4493","0.0005","5.7324","0.0002","20.1514","0.0014","90","","97.086","0.007","90","","1771.01","0.15","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F6 I O11 S2 -","- C9 H9 F6 I O11 S2 -","- C36 H36 F24 I4 O44 S8 -","4","1","","Yusubov, Mekhman S.; Soldatova, Natalya S.; Postnikov, Pavel; Valiev, Rashid R.; Yoshimura, Akira; Wirth, Thomas; Nemykin, Victor; Zhdankin, Viktor V.","2-Iodoxybenzoic acid ditriflate: the most powerful hypervalent iodine(V) oxidant","Chemical Communications","2019","","","","","10.1039/C9CC04203B","","","1.54187","CuKα","","0.1213","0.0953","","0.2581","0.2256","0.2581","","","","","","0.9094","","","","has coordinates","215761","2020-10-21","18:00:00",""
"7123614","19.763","0.002","7.0061","0.0008","30.454","0.004","90","","99.447","0.002","90","","4159.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cl4 N4 O4 -","- C47 H40 Cl4 N4 O4 -","- C188 H160 Cl16 N16 O16 -","4","0.5","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","","0.71073","MoKα","","0.0382","0.0313","","","0.0738","0.0779","","","","","","1.027","","","","has coordinates,has disorder","215762","2020-10-21","18:00:00",""
"7123615","29.485","0.005","4.6618","0.0007","34.442","0.005","90","","94.016","0.002","90","","4722.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cl2 N5 O2 -","- C24 H19 Cl2 N5 O2 -","- C192 H152 Cl16 N40 O16 -","8","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","","0.71073","MoKα","","0.0511","0.0373","","","0.0901","0.0978","","","","","","1.02","","","","has coordinates,has disorder","215762","2020-10-21","18:00:00",""
"7123616","29.5915","0.0004","4.6765","0.0001","34.4083","0.0005","90","","94.142","0.001","90","","4749.14","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cl2 N5 O2 -","- C24 H19 Cl2 N5 O2 -","- C192 H152 Cl16 N40 O16 -","8","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","x-ray","1.54178","CuKα","","0.0569","0.0529","","","0.1447","0.1496","","","","","","1.056","","","","has coordinates,has disorder","215762","2020-10-21","18:00:00",""
"7123617","29.7548","0.001","4.7613","0.0001","34.8524","0.0007","90","","94.22","0.004","90","","4924.2","0.2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cl2 N5 O2 -","- C24 H19 Cl2 N5 O2 -","- C192 H152 Cl16 N40 O16 -","8","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","x-ray","1.54178","CuKα","","0.0614","0.0524","","","0.159","0.1695","","","","","","1.082","","","","has coordinates,has disorder","215762","2020-10-21","18:00:00",""
"7123618","27.525","0.003","7.786","0.0007","16.8266","0.0016","90","","90","","90","","3606.1","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H17 Cl2 N2 O2 -","- C20 H17 Cl2 N2 O2 -","- C160 H136 Cl16 N16 O16 -","8","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","","0.71073","MoKα","","0.0488","0.0333","","","0.069","0.0751","","","","","","1.026","","","","has coordinates","215762","2020-10-21","18:00:00",""
"7123619","8.6025","0.0016","14.743","0.003","15.818","0.003","113.957","0.003","90.6","0.003","105.072","0.003","1754.9","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cl4 N4 O4 -","- C38 H30 Cl4 N4 O4 -","- C76 H60 Cl8 N8 O8 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Unique supramolecular complex of diclofenac: structural robustness, crystal-to-crystal solvent exchange, and mechanochemical synthesis","Chemical Communications","2019","","","","","10.1039/C9CC03946E","","","0.71073","MoKα","","0.0685","0.0418","","","0.1011","0.1155","","","","","","1.04","","","","has coordinates,has disorder","215762","2020-10-21","18:00:00",""
"7123620","7.9107","0.0004","11.7226","0.0007","15.1375","0.0007","85.161","0.004","87.054","0.004","87.105","0.004","1395.4","0.13","130.01","0.1","130.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl2 Mn N2 O6 -","- C27 H33 Cl2 Mn N2 O6 -","- C54 H66 Cl4 Mn2 N4 O12 -","2","1","","Rizzacasa, Mark A.; Donnelly, Paul Stephen; North, Andrea J.; Radjah, Natalia Caren; Ricca, Michael; Robertson, Angus Michael; White, Jonathan","An Effective cis-β-Octahedral Mn(III) SALPN Catalyst for the Mukaiyama-Isayama Hydration of α,β-Unsaturated Esters","Chemical Communications","2019","","","","","10.1039/C9CC03921J","","x-ray","0.71073","MoKα","","0.0759","0.0522","","","0.1205","0.1391","","","","","","1.058","","","","has coordinates","215763","2020-10-21","18:00:00",""
"7123621","10.261","0.0016","10.8556","0.0015","14.6929","0.0015","81.588","0.01","85.042","0.01","85.486","0.012","1609.3","0.4","130.01","0.1","130.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H47 Mn N2 O7.5 -","- C32 H45 Mn N2 O7.5 -","- C64 H90 Mn2 N4 O15 -","2","1","","Rizzacasa, Mark A.; Donnelly, Paul Stephen; North, Andrea J.; Radjah, Natalia Caren; Ricca, Michael; Robertson, Angus Michael; White, Jonathan","An Effective cis-β-Octahedral Mn(III) SALPN Catalyst for the Mukaiyama-Isayama Hydration of α,β-Unsaturated Esters","Chemical Communications","2019","","","","","10.1039/C9CC03921J","","","0.7107","MoKα","","0.13","0.0757","","","0.2068","0.2389","","","","","","1.006","","","","has coordinates","215763","2020-10-21","18:00:00",""
"7123622","5.2305","0.0002","19.0645","0.0008","21.8678","0.0009","90","","92.665","0.001","90","","2178.23","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N5 O4 S -","- C22 H23 N5 O4 S -","- C88 H92 N20 O16 S4 -","4","1","","Chen, Wenqiang; Fu, Li; Chen, Chunfei; Xiao, Jun-An; Li, Wenxiu; Zhang, Liangliang; Xiao, Qi; Huang, Chusheng; Sheng, Jiarong; Song, Xiangzhi","Unexpected reaction patterns enable simultaneous differentiation of H2S, H2Sn and biothiols","Chemical Communications","2019","","","","","10.1039/C9CC03054A","","","0.71073","MoKα","","0.1548","0.0784","","","0.1768","0.2065","","","","","","1.078","","","","has coordinates,has disorder","215792","2020-10-21","18:00:00",""
"7123623","11.1094","0.0016","5.715","0.0008","15.077","0.002","90","","111.014","0.002","90","","893.6","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H14 Cl N O3 -","- C24 H14 Cl N O3 -","- C48 H28 Cl2 N2 O6 -","2","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0305","0.029","","","0.0737","0.0746","","","","","","1.025","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123624","10.8409","0.0015","10.0705","0.0014","15.263","0.002","90","","91.756","0.002","90","","1665.5","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0372","0.0328","","","0.0955","0.0988","","","","","","1.048","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123625","7.1186","0.0006","19.2065","0.0017","21.5744","0.0019","90","","90","","90","","2949.7","0.4","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Cl N O3 -","- C19 H12 Cl N O3 -","- C152 H96 Cl8 N8 O24 -","8","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0342","0.0294","","","0.0797","0.0829","","","","","","1.031","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123626","11.027","0.003","8.159","0.002","19.126","0.005","90","","92.913","0.003","90","","1718.5","0.8","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl N O -","- C23 H16 Cl N O -","- C92 H64 Cl4 N4 O4 -","4","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0735","0.0447","","","0.1016","0.1134","","","","","","1.009","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123627","14.7536","0.0019","6.9198","0.0009","22.084","0.003","90","","108.867","0.002","90","","2133.5","0.5","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 Cl F6 N O -","- C25 H14 Cl F6 N O -","- C100 H56 Cl4 F24 N4 O4 -","4","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0532","0.0402","","","0.108","0.1151","","","","","","1.099","","","","has coordinates,has disorder","215793","2020-10-21","18:00:00",""
"7123628","8.4219","0.0012","35.714","0.005","13.5618","0.0019","90","","101.876","0.002","90","","3991.8","1","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19.5 H25.5 Cl2 N Rh -","- C19.5 H25.5 Cl2 N Rh -","- C156 H204 Cl16 N8 Rh8 -","8","4","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0549","0.0487","","","0.1035","0.1058","","","","","","1.125","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123629","15.409","0.002","8.2878","0.0008","12.3822","0.0016","90","","111.992","0.016","90","","1466.2","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.333 H9.333 N2 O1.333 -","- C11.3333 H9.33333 N2 O1.33333 -","- C68 H56 N12 O8 -","6","1.5","","Yu, Xiaoxia; Zhou, Yao; Ma, Xingxing; Song, Qiuling","Transition metal-free assembly of 1,3,5-triazines by using ethyl bromodi-fluoroacetate as C1 source","Chemical Communications","2019","","","","","10.1039/C9CC03534F","","x-ray","0.71073","MoKα","","0.0928","0.063","","","0.1563","0.1828","","","","","","1.0767","","","","has coordinates","215794","2020-10-21","18:00:00",""
"7123630","23.6899","0.0009","6.3426","0.0002","54.772","0.002","90","","95.942","0.002","90","","8185.6","0.5","173","2","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C81 H136 O3 -","- C81 H136 O3 -","- C324 H544 O12 -","4","1","","Wang, Jian-Rong; Li, Meiqi; Yu, Qihui; Zhang, Zaiyong; Zhu, Bingqing; Qin, Wenming; Mei, Xuefeng","Anisotropic elasticity and plasticity of organic crystal","Chemical Communications","2019","","","","","10.1039/C9CC03542G","","","1.54178","CuKα","","0.1062","0.0983","","","0.2418","0.2496","","","","","","1.084","","","","has coordinates,has disorder","215845","2020-10-21","18:00:00",""
"7123631","6.4109","0.0003","33.5378","0.0014","35.2624","0.0014","90","","90","","90","","7581.7","0.6","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C83 H134 O3 -","- C83 H134 O3 -","- C332 H536 O12 -","4","1","","Wang, Jian-Rong; Li, Meiqi; Yu, Qihui; Zhang, Zaiyong; Zhu, Bingqing; Qin, Wenming; Mei, Xuefeng","Anisotropic elasticity and plasticity of organic crystal","Chemical Communications","2019","","","","","10.1039/C9CC03542G","","","0.71073","MoKα","","0.1111","0.0659","","","0.1617","0.1912","","","","","","1.02","","","","has coordinates","215845","2020-10-21","18:00:00",""
"7123632","6.3307","0.0014","29.143","0.006","16.376","0.003","90","","98.228","0.005","90","","2990.2","1.1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 O3 -","- C30 H60 O3 -","- C120 H240 O12 -","4","1","","Wang, Jian-Rong; Li, Meiqi; Yu, Qihui; Zhang, Zaiyong; Zhu, Bingqing; Qin, Wenming; Mei, Xuefeng","Anisotropic elasticity and plasticity of organic crystal","Chemical Communications","2019","","","","","10.1039/C9CC03542G","","","0.71073","MoKα","","0.109","0.0579","","","0.1319","0.1512","","","","","","0.97","","","","has coordinates","215845","2020-10-21","18:00:00",""
"7123633","26.1667","0.0004","16.5284","0.0002","32.6499","0.0004","90","","99.6138","0.0013","90","","13922.6","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H115 Cl Co Mo6 N3 O24 -","- C48 H115 Cl Co Mo6 N3 O24 -","- C384 H920 Cl8 Co8 Mo48 N24 O192 -","8","1","","Wei, Yongge; Yu, Han; Zhao, Qixing; Wei, Zheyu; Wu, Zhikang; Li, Qi; Han, Sheng","Iron-Catalyzed Oxidative Functionalization of C(sp3)−H Bonds under Bromide-synergized Mild Conditions","Chemical Communications","2019","","","","","10.1039/C9CC03939B","","x-ray","0.71073","MoKα","","0.0486","0.0325","","","0.0619","0.0679","","","","","","1.068","","","","has coordinates","215846","2020-10-21","18:00:00",""
"7123634","15.8519","0.0008","13.523","0.0007","14.0507","0.0007","90","","111.737","0.006","90","","2797.8","0.3","213","0.1","213","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2.615 H2 S0.308 -","- C2.61538 H2 S0.307692 -","- C136 H104 S16 -","52","13","","Li, Jing-Hao; Huang, Qi; Rao, Weidong; Wang, Shun-Yi; Ji, Shun-Jun","Trisulfur Radical Anion (S3•−) Involved Sulfur Insertion Reaction of 1,3-Enynes: Sulfide Sources Control Chemoselective Synthesis of 2,3,5-trisubstituted Thiophenes and 3-thienyl Disulfides","Chemical Communications","2019","","","","","10.1039/C9CC03604K","","","0.71073","MoKα","","0.0509","0.0398","","","0.1313","0.1446","","","","","","1.0669","","","","has coordinates","215847","2020-10-21","18:00:00",""
"7123635","8.769","0.0002","17.0752","0.0004","18.1342","0.0003","90","","89.897","0.002","90","","2715.27","0.1","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","1","","Yuan, Yuan; Jia, Minqiang; Zhang, Wanli; Ma, Shengming","Palladium Catalyzed Regioselective Elimination-Hydrocarbonylation of Propargylic Alcohols","Chemical Communications","2019","","","","","10.1039/C9CC03262B","","x-ray","1.54184","CuKα","","0.0759","0.0719","","","0.2203","0.2259","","","","","","1.077","","","","has coordinates","215848","2020-10-21","18:00:00",""
"7123636","17.4172","0.0017","16.1367","0.0016","30.889","0.003","90","","93.186","0.002","90","","8668.1","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2a, AT485","[(2-Hydroxymethyl-4-methoxy-5-(methyl))phenyl]iodobis(triphenyl-phosphine)palladium","","- C45 H41 I O2 P2 Pd -","- C45 H41 I O2 P2 Pd -","- C360 H328 I8 O16 P16 Pd8 -","8","1","","Tabey, Alexis; Audrain, Hélène; Fouquet, Eric; Hermange, Philippe","Bioconjugated arylpalladium complexes on solid supports for a convenient last-step synthesis of 11C-labelled tracers for positron emission tomography","Chemical Communications","2019","","","","","10.1039/C9CC03215K","","","0.71073","MoKα","","0.0435","0.0362","","","0.1269","0.1321","","","","","","1.019","","","","has coordinates","215849","2020-10-21","18:00:00",""
"7123637","8.8021","0.0006","15.5028","0.001","27.4387","0.0017","90","","90","","90","","3744.2","0.4","101","2","101","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 B N Si2 -","- C18 H26 B N Si2 -","- C144 H208 B8 N8 Si16 -","8","1","","Keck, Constanze; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Photo electron transfer induced desilylation of N,N-bis(trimethylsilyl)aminodibenzoborole to aminodibenzoborole","Chemical Communications","2019","","","","","10.1039/C9CC03415C","","","0.71073","MoKα","","0.0598","0.0386","","","0.0862","0.0958","","","","","","1.045","","","","has coordinates","215850","2020-10-21","18:00:00",""
"7123638","6.205","0.0002","8.318","0.0002","38.4608","0.0011","90","","92.7485","0.0015","90","","1982.8","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl N O4 S2 -","- C19 H22 Cl N O4 S2 -","- C76 H88 Cl4 N4 O16 S8 -","4","1","","Vairoletti, Franco; Medeiros, Andrea; Fontán, Pablo; Meléndrez, Jennifer; Tabárez, Carlos; Salinas, Gustavo; Franco, Jaime; Comini, Marcelo A.; Saldaña, Jenny; Jancik, Vojtech; Mahler, Graciela; Saiz, Cecilia","Synthesis of bicyclic 1,4-thiazepines as novel anti-<i>Trypanosoma brucei brucei</i> agents.","MedChemComm","2019","10","8","1481","1487","10.1039/c9md00064j","","","1.54178","CuKα","","0.0706","0.0678","","","0.1762","0.1783","","","","","","1.043","","","","has coordinates","224640","2020-10-21","18:00:00",""
"7123639","11.0806","0.0008","11.5773","0.0009","13.7888","0.001","108.851","0.001","105.694","0.001","102.052","0.001","1524","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H106 Cl2 Dy2 N4 O2 -","- C56 H106 Cl2 Dy2 N4 O2 -","- C56 H106 Cl2 Dy2 N4 O2 -","1","0.5","","Han, Tian; Ding, Yousong; Li, Zi-Han; Yu, Ke-Xin; Zhai, Yuan-Qi; Chilton, Nicholas F.; Zheng, Yan-Zhen","Dichlorido-bridged dinuclear Dy(III) single-molecule magnet with an effective energy barrier larger than 600 K","Chemical Communications","2019","","","","","10.1039/C9CC02436K","","","0.71073","MoKα","","0.0279","0.024","","","0.0581","0.0603","","","","","","1.026","","","","has coordinates","215897","2020-10-21","18:00:00",""
"7123640","11.0839","0.0017","11.5625","0.0018","13.8","0.002","108.736","0.002","105.79","0.002","102.087","0.002","1523.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H104 Cl2 N4 O2 Y2 -","- C56 H104 Cl2 N4 O2 Y2 -","- C56 H104 Cl2 N4 O2 Y2 -","1","0.5","","Han, Tian; Ding, Yousong; Li, Zi-Han; Yu, Ke-Xin; Zhai, Yuan-Qi; Chilton, Nicholas F.; Zheng, Yan-Zhen","Dichlorido-bridged dinuclear Dy(III) single-molecule magnet with an effective energy barrier larger than 600 K","Chemical Communications","2019","","","","","10.1039/C9CC02436K","","","0.71073","MoKα","","0.054","0.0366","","","0.0793","0.0842","","","","","","1.042","","","","has coordinates","215897","2020-10-21","18:00:00",""
"7123641","11.095","0.002","11.523","0.002","13.869","0.003","108.507","0.002","106.262","0.002","101.839","0.002","1527.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H104 Cl2 Gd2 N4 O2 -","- C56 H104 Cl2 Gd2 N4 O2 -","- C56 H104 Cl2 Gd2 N4 O2 -","1","0.5","","Han, Tian; Ding, Yousong; Li, Zi-Han; Yu, Ke-Xin; Zhai, Yuan-Qi; Chilton, Nicholas F.; Zheng, Yan-Zhen","Dichlorido-bridged dinuclear Dy(III) single-molecule magnet with an effective energy barrier larger than 600 K","Chemical Communications","2019","","","","","10.1039/C9CC02436K","","","0.71073","MoKα","","0.0268","0.0224","","","0.0516","0.0531","","","","","","1.066","","","","has coordinates","215897","2020-10-21","18:00:00",""
"7123642","17.901","0.0002","22.8764","0.0003","17.21509","0.00019","90","","98.6215","0.0011","90","","6970.1","0.14","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H40 B2 Cl4 F40 N6 Si2 -","- C62 H40 B2 Cl4 F40 N6 Si2 -","- C248 H160 B8 Cl16 F160 N24 Si8 -","4","1","","Kramer, Nina; Wadepohl, Hubert; Greb, Lutz","Tris(dimethylamino)silylium ion: structure and reactivity of a dimeric silaguanidinium","Chemical Communications","2019","","","","","10.1039/C9CC03625C","","x-ray","1.54184","CuKα","K-L~2,3~","0.0871","0.0734","","","0.1981","0.2112","","","","","","1.022","","","","has coordinates,has disorder","215898","2020-10-21","18:00:00",""
"7123643","9.99","0.002","18.213","0.004","22.061","0.004","90","","92.18","0.03","90","","4011","1.4","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 B F20 Fe N3 Si -","- C40 H28 B F20 Fe N3 Si -","- C160 H112 B4 F80 Fe4 N12 Si4 -","4","1","","Kramer, Nina; Wadepohl, Hubert; Greb, Lutz","Tris(dimethylamino)silylium ion: structure and reactivity of a dimeric silaguanidinium","Chemical Communications","2019","","","","","10.1039/C9CC03625C","","","0.71073","MoKα","","0.0786","0.0405","","","0.0844","0.0981","","","","","","1.012","","","","has coordinates","215898","2020-10-21","18:00:00",""
"7123644","17.568","0.007","21.991","0.011","21.812","0.009","90","","104.87","0.02","90","","8145","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H82 Cl6 N4 O2 S2 Se2 -","- C92 H82 Cl6 N4 O2 S2 Se2 -","- C368 H328 Cl24 N16 O8 S8 Se8 -","4","1","","Liao, Xunfan; Shi, Xueliang; Zhang, Ming; Gao, Ke; Zuo, Lijian; Liu, Feng; Chen, Yiwang; Jen, Alex K. Y.","Fused Selenophene-thieno[3,2-b]thiophene-selenophene (ST)-based Narrow Bandgap Electron Acceptor for Efficient Organic Solar Cells with Small Voltage Loss","Chemical Communications","2019","","","","","10.1039/C9CC03585K","","x-ray","0.71073","MoKα","","0.6563","0.2413","","","0.4403","0.6663","","","","","","0.888","","","","has coordinates,has disorder","215899","2020-10-21","18:00:00",""
"7123645","9.8937","0.0009","11.1906","0.001","11.7431","0.0008","68.403","0.007","71.507","0.007","82.528","0.007","1146.32","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl N O4 -","- C26 H24 Cl N O4 -","- C52 H48 Cl2 N2 O8 -","2","1","","Punniyamurthy, Tharmalingam; Das, Bijay Ketan; Pradhan, Sourav","Stereospecific assembly of tetrahydroquinolines via tandem ring-opening/oxidative cyclization of donor-acceptor cyclopropanes with N-alkyl anilines","Chemical Communications","2019","","","","","10.1039/C9CC04042K","","","0.71073","MoKα","","0.0833","0.0521","","","0.1084","0.1386","","","","","","1.07","","","","has coordinates","215900","2020-10-21","18:00:00",""
"7123646","10.5583","0.001","9.7573","0.0007","11.7032","0.0011","90","","106.984","0.011","90","","1153.09","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O4 -","- C26 H24 Cl N O4 -","- C52 H48 Cl2 N2 O8 -","2","1","","Punniyamurthy, Tharmalingam; Das, Bijay Ketan; Pradhan, Sourav","Stereospecific assembly of tetrahydroquinolines via tandem ring-opening/oxidative cyclization of donor-acceptor cyclopropanes with N-alkyl anilines","Chemical Communications","2019","","","","","10.1039/C9CC04042K","","","0.71073","MoKα","","0.1065","0.0713","","","0.1584","0.1989","","","","","","1.031","","","","has coordinates","215900","2020-10-21","18:00:00",""
"7123647","13.3276","0.0012","9.0097","0.0004","13.3315","0.0011","90","","109.52","0.005","90","","1508.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba8 Ga2 S15 Zn4 -","- Ba8 Ga2 S15 Zn4 -","- Ba16 Ga4 S30 Zn8 -","2","0.5","","Li, Yan-Yan; Liu, Peng-Fei; Lin, Hua; Wu, Li-Ming; WU, XIN-TAO; Zhu, Qi-Long","Quaternary Semiconductor Ba8Zn4Ga2S15 Featuring Unique One-dimensional Chains and Exhibiting Desirable Yellow Emission","Chemical Communications","2019","","","","","10.1039/C9CC02575H","","","0.71073","MoKα","","0.026","0.0223","","","0.0466","0.0481","","","","","","1.084","","","","has coordinates","215982","2020-10-21","18:00:00",""
"7123648","8.701","0.006","9.584","0.007","24.807","0.018","90","","90","","90","","2069","3","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Zhou, Xi; Xu, Hongyan; Yang, Qiaodan; Chen, Hua; 王, 守锋; Zhao, Huaiqing","Co(II)/Cu(II)-cocatalyzed oxidative C‒H/N‒H functionalization of benzamides with ketones: a facile route to isoindolin-1-ones","Chemical Communications","2019","","","","","10.1039/C9CC02661D","","x-ray","0.71073","MoKα","","0.0583","0.0388","","","0.0868","0.096","","","","","","1.028","","","","has coordinates","215983","2020-10-21","18:00:00",""
"7123649","8.5863","0.0001","12.974","0.0001","20.24","0.0002","90","","101.144","0.001","90","","2212.2","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O4 S2 -","- C25 H25 N O4 S2 -","- C100 H100 N4 O16 S8 -","4","2","","Shi, Jingkai; Liang, Fei; He, Yixin; Zhang, Xinyuan; Lin, Zheshuai; Xu, De Gang; Hu, Zhanggui; Yao, Jianquan; Wu, Yicheng","Rational structural design of benzothiazolium-based crystal HDB-T with high nonlinearity and efficient terahertz-wave generation","Chemical Communications","2019","","","","","10.1039/C9CC03188J","","","1.54178","CuKα","","0.0356","0.034","","","0.0843","0.0852","","","","","","1.074","","","","has coordinates","215984","2020-10-21","18:00:00",""
"7123650","15.6034","0.0001","6.9414","0.0001","19.1717","0.0002","90","","90","","90","","2076.48","0.04","230","2","230","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H21 N O4 S2 -","- C23 H21 N O4 S2 -","- C92 H84 N4 O16 S8 -","4","1","","Shi, Jingkai; Liang, Fei; He, Yixin; Zhang, Xinyuan; Lin, Zheshuai; Xu, De Gang; Hu, Zhanggui; Yao, Jianquan; Wu, Yicheng","Rational structural design of benzothiazolium-based crystal HDB-T with high nonlinearity and efficient terahertz-wave generation","Chemical Communications","2019","","","","","10.1039/C9CC03188J","","","1.54178","CuKα","","0.0366","0.0351","","","0.0964","0.097","","","","","","1.075","","","","has coordinates","215984","2020-10-21","18:00:00",""
"7123651","35.5335","0.0004","18.9692","0.0002","20.8833","0.0002","90","","90","","90","","14076.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C153 H74 B2 Br2 Cl2 F56 N4 Ni2 -","- C153 H74 B2 Br2 Cl2 F56 N4 Ni2 -","- C612 H296 B8 Br8 Cl8 F224 N16 Ni8 -","4","0.5","","Padilla-Vélez, Omar; O’Connor, Kyle S.; LaPointe, Anne M.; MacMillan, Samantha N.; Coates, Geoffrey W.","Switchable living nickel(ii) α-diimine catalyst for ethylene polymerisation","Chemical Communications","2019","","","","","10.1039/C9CC03154E","","x-ray","1.54184","CuKα","","0.0698","0.0673","","","0.1829","0.1855","","","","","","1.098","","","","has coordinates,has disorder","215985","2020-10-21","18:00:00",""
"7123652","12.0778","0.0001","9.4396","0.0001","13.2738","0.0001","90","","110.964","0.001","90","","1413.17","0.02","170","0.1","170","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 Br N3 O6 -","- C30 H26 Br N3 O6 -","- C60 H52 Br2 N6 O12 -","2","1","","Zhang, Chun-Lin; Han, You-Feng; Ye, Song","N-Heterocyclic Carbene-Catalyzed β-Addition of Enals to 3-Alkylenyloxindoles: Synthesis of Oxindoles with All-Carbon Quaternary Stereocenters","Chemical Communications","2019","","","","","10.1039/C9CC03099A","","x-ray","1.54184","CuKα","","0.0257","0.025","","","0.0666","0.0678","","","","","","1.061","","","","has coordinates,has disorder","215986","2020-10-21","18:00:00",""
"7123653","10.79","0.002","15.825","0.003","20.681","0.004","90","","90","","90","","3531.3","1.2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Au F6 N P Sb -","- C36 H48 Au F6 N P Sb -","- C144 H192 Au4 F24 N4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Joost, Maximilian; Amgoune, Abderrahmane; Ladeira, Sonia; Bourissou, Didier","π Complexes of P^P and P^N Chelated Gold(I)","Chemical Communications","2019","","","","","10.1039/C9CC04266K","","","0.71073","MoKα","","0.0328","0.0274","","","0.0602","0.0621","","","","","","1.054","","","","has coordinates","215987","2020-10-21","18:00:00",""
"7123654","11.6826","0.0005","19.7076","0.0009","19.0738","0.0008","90","","93.619","0.001","90","","4382.7","0.3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.1 H38.2 Au B10 Cl4.2 Ga P2 -","- C34.1 H38.2 Au B10 Cl4.2 Ga P2 -","- C136.4 H152.8 Au4 B40 Cl16.8 Ga4 P8 -","4","1","","Navarro, Miquel; Toledo, Alberto; Joost, Maximilian; Amgoune, Abderrahmane; Ladeira, Sonia; Bourissou, Didier","π Complexes of P^P and P^N Chelated Gold(I)","Chemical Communications","2019","","","","","10.1039/C9CC04266K","","","0.71073","MoKα","","0.0424","0.0263","","","0.0614","0.0685","","","","","","1.028","","","","has coordinates,has disorder","215987","2020-10-21","18:00:00",""
"7123655","11.0481","0.0005","15.7073","0.0007","20.4499","0.0009","90","","90","","90","","3548.8","0.3","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 Au F6 N O P Sb -","- C37 H50 Au F6 N O P Sb -","- C148 H200 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Joost, Maximilian; Amgoune, Abderrahmane; Ladeira, Sonia; Bourissou, Didier","π Complexes of P^P and P^N Chelated Gold(I)","Chemical Communications","2019","","","","","10.1039/C9CC04266K","","","1.54178","CuKα","","0.0259","0.0251","","","0.0617","0.0622","","","","","","1.048","","","","has coordinates","215987","2020-10-21","18:00:00",""
"7123656","14.5228","0.0012","16.6577","0.0013","18.4634","0.0014","90","","92.673","0.002","90","","4461.7","0.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H118 Mg N8 O S6 -","- C80 H118 Mg N8 O S6 -","- C160 H236 Mg2 N16 O2 S12 -","2","0.5","","Wang, Yuzhong; Maxi, Nirva A.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory","Lewis base-complexed magnesium dithiolenes","Chemical Communications","2019","","","","","10.1039/C9CC03427G","","","0.71073","MoKα","","0.1107","0.0828","","","0.223","0.2429","","","","","","1.09","","","","has coordinates,has disorder","215988","2020-10-21","18:00:00",""
"7123657","13.3056","0.0006","13.807","0.0007","12.8135","0.0006","90","","90","","90","","2353.97","0.19","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C43 H66 Mg N2 O4 S3 -","- C43 H66 Mg N2 O4 S3 -","- C86 H132 Mg2 N4 O8 S6 -","2","0.5","","Wang, Yuzhong; Maxi, Nirva A.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory","Lewis base-complexed magnesium dithiolenes","Chemical Communications","2019","","","","","10.1039/C9CC03427G","","","0.71073","MoKα","","0.0788","0.0519","","","0.1236","0.1372","","","","","","1.048","","","","has coordinates,has disorder","215988","2020-10-21","18:00:00",""
"7123658","15.5287","0.0007","20.6762","0.001","18.7622","0.0009","90","","93.047","0.002","90","","6015.5","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Mg N6 S3 -","- C56 H82 Mg N6 S3 -","- C224 H328 Mg4 N24 S12 -","4","1","","Wang, Yuzhong; Maxi, Nirva A.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory","Lewis base-complexed magnesium dithiolenes","Chemical Communications","2019","","","","","10.1039/C9CC03427G","","","0.71073","MoKα","","0.1244","0.0628","","","0.1318","0.1597","","","","","","1.039","","","","has coordinates,has disorder","215988","2020-10-21","18:00:00",""
"7123659","20.3071","0.0005","15.2401","0.0003","22.2814","0.0005","90","","94.433","0.002","90","","6875.1","0.3","170","2","170","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C116 H98 Ag4 N20 O17 S4 -","- C116 H96 Ag4 N20 O16 S4 -","- C232 H192 Ag8 N40 O32 S8 -","2","0.5","","Lu, Zhixiang; Cheng, Yi; Fan, Wenwen; Yang, Shaoxiong; Liu, Xiaolan; Qin, Yu; Zhao, Ruidun; Zheng, Liyan; Zhang, Hongbin","A stable silver metallacage with solvatochromic and mechanochromic behaviors for white LED fabrication","Chemical Communications","2019","","","","","10.1039/C9CC03229K","","","1.34139","GaKα","","0.227","0.1868","","","0.4155","0.4423","","","","","","1.077","","","","has coordinates","216013","2020-10-21","18:00:00",""
"7123660","19.1233","0.0013","11.8499","0.0008","8.8509","0.0006","90","","108.543","0.001","90","","1901.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0312","0.0309","","","0.0784","0.0786","","","","","","1.068","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123661","13.4154","0.0006","13.5031","0.0006","14.8493","0.0007","79.454","0.004","76.691","0.004","75.227","0.004","2509","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Al N3 O3 -","- C30 H28 Al N3 O3 -","- C120 H112 Al4 N12 O12 -","4","2","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.1095","0.0756","","","0.1837","0.205","","","","","","1.043","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123662","13.5703","0.0005","11.6337","0.0005","14.6589","0.0006","90","","98.895","0.004","90","","2286.41","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N3 O4 -","- C25 H20 F3 N3 O4 -","- C100 H80 F12 N12 O16 -","4","1","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0703","0.0468","","","0.1055","0.1233","","","","","","0.987","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123663","8.9816","0.0006","10.2889","0.0007","14.1189","0.001","71.196","0.003","84.48","0.003","88.775","0.003","1229.31","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Al N3 O2 -","- C30 H30 Al N3 O2 -","- C60 H60 Al2 N6 O4 -","2","1","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0396","0.0385","","","0.1052","0.1063","","","","","","1.007","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123664","16.3987","0.0007","16.3987","0.0007","18.1743","0.0013","90","","90","","120","","4232.6","0.4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H12 F9 N3 O3 -","- C24 H12 F9 N3 O3 -","- C144 H72 F54 N18 O18 -","6","0.166667","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0997","0.0781","","","0.2686","0.2951","","","","","","1.119","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123665","13.1448","0.0005","13.1448","0.0005","26.2723","0.0011","90","","90","","120","","3931.3","0.3","150","2","150","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C144 H126 N18 O36 -","6","0.333333","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0472","0.0428","","","0.1304","0.1346","","","","","","1.118","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123666","7.3989","0.0003","5.9654","0.0004","31.516","0.0016","90","","90","","90","","1391.03","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","0.5","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0707","0.0519","","","0.1226","0.1347","","","","","","1.148","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123667","12.6283","0.0003","12.6283","0.0003","26.611","0.001","90","","90","","120","","3675.21","0.19","150","2","150","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C144 H126 N18 O18 -","6","0.333333","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0374","0.0358","","","0.0957","0.0971","","","","","","1.061","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123668","12.3706","0.0009","11.2198","0.0007","4.8807","0.0003","90","","103.853","0.006","90","","657.72","0.08","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","0.25","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0504","0.048","","","0.1501","0.1553","","","","","","1.141","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123669","15.9239","0.0011","5.4001","0.0003","8.043","0.0006","90","","99.75","0.007","90","","681.63","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C32 H28 N4 O8 -","2","0.5","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0614","0.0449","","","0.1232","0.1427","","","","","","1.037","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123670","23.3812","0.0016","37.1191","0.0018","7.722","0.0005","90","","90","","90","","6701.8","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C336 H240 N48 O48 -","16","1","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0521","0.0419","","","0.0972","0.1046","","","","","","1.1","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123671","17.4721","0.0005","13.408","0.0005","21.0645","0.0007","90","","104.877","0.001","90","","4769.3","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl2 Se Si4 -","- C54 H52 Cl2 Se Si4 -","- C216 H208 Cl8 Se4 Si16 -","4","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","A Stable Bis(methylene)-λ4-selane with a >C=Se=C< bond containing Se(IV)","Chemical Communications","2019","","","","","10.1039/C9CC04121D","","","0.71073","MoKα","","0.047","0.0315","","","0.0638","0.0697","","","","","","1.025","","","","has coordinates","216030","2020-10-21","18:00:00",""
"7123672","12.7354","0.0008","21.5853","0.0014","17.4791","0.001","90","","102.496","0.002","90","","4691.1","0.5","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Se Si4 -","- C54 H52 Se Si4 -","- C216 H208 Se4 Si16 -","4","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","A Stable Bis(methylene)-λ4-selane with a >C=Se=C< bond containing Se(IV)","Chemical Communications","2019","","","","","10.1039/C9CC04121D","","","0.71073","MoKα","","0.0901","0.0544","","","0.1295","0.1446","","","","","","1.025","","","","has coordinates","216030","2020-10-21","18:00:00",""
"7123673","12.0334","0.0004","20.0424","0.0006","22.4788","0.0006","90","","91.476","0.001","90","","5419.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Br2 O Se Si4 -","- C58 H62 Br2 O Se Si4 -","- C232 H248 Br8 O4 Se4 Si16 -","4","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","A Stable Bis(methylene)-λ4-selane with a >C=Se=C< bond containing Se(IV)","Chemical Communications","2019","","","","","10.1039/C9CC04121D","","","0.71073","MoKα","","0.0734","0.0382","","","0.0657","0.076","","","","","","1.024","","","","has coordinates","216030","2020-10-21","18:00:00",""
"7123674","17.3177","0.0013","13.0257","0.0008","21.8104","0.0015","90","","105.764","0.008","90","","4734.8","0.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 Cl Se Si4 -","- C54 H53 Cl Se Si4 -","- C216 H212 Cl4 Se4 Si16 -","4","1","","Sugamata, Koh; Urao, Yukiko; Minoura, Mao","A Stable Bis(methylene)-λ4-selane with a >C=Se=C< bond containing Se(IV)","Chemical Communications","2019","","","","","10.1039/C9CC04121D","","","0.71073","MoKα","","0.1247","0.0626","","","0.1188","0.1428","","","","","","1.058","","","","has coordinates,has disorder","216030","2020-10-21","18:00:00",""
"7123675","8.8174","0.0008","11.145","0.001","14.6195","0.0013","105.387","0.007","91.946","0.007","100.712","0.007","1355.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 B F2 N2 O2 -","- C35 H25 B F2 N2 O2 -","- C70 H50 B2 F4 N4 O4 -","2","1","","Sugiura, Shinya; Kobayashi, Yoichi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties","Chemical Communications","2019","","","","","10.1039/C9CC03407B","","","0.4307","Synchrotron","","0.0594","0.0502","","","0.1174","0.1239","","","","","","1.034","","","","has coordinates","216031","2020-10-21","18:00:00",""
"7123676","6.046","0.002","16.965","0.006","17.347","0.006","92.138","0.007","94.827","0.007","90.828","0.006","1771.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H33 B F2 N2 O2 -","- C47 H33 B F2 N2 O2 -","- C94 H66 B2 F4 N4 O4 -","2","1","","Sugiura, Shinya; Kobayashi, Yoichi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties","Chemical Communications","2019","","","","","10.1039/C9CC03407B","","","0.4403","Synchrotron","","0.067","0.0485","","","0.1391","0.1565","","","","","","1.025","","","","has coordinates","216031","2020-10-21","18:00:00",""
"7123677","9.1316","0.0002","22.7041","0.0004","37.6937","0.0007","90","","90","","90","","7814.8","0.3","95","2","95","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H33 B F2 I2 N4 O2 -","- C45 H33 B F2 I2 N4 O2 -","- C360 H264 B8 F16 I16 N32 O16 -","8","2","","Sugiura, Shinya; Kobayashi, Yoichi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties","Chemical Communications","2019","","","","","10.1039/C9CC03407B","","","0.8104","Synchrotron","","0.0585","0.0569","","","0.1471","0.149","","","","","","1.208","","","","has coordinates","216031","2020-10-21","18:00:00",""
"7123678","13.3755","0.0004","14.9439","0.0005","21.2804","0.0007","74.334","0.002","78.71","0.002","78.821","0.002","3971.3","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H90 B2 Cl5 F4 N5 O4 -","- C88 H90 B2 Cl5 F4 N5 O4 -","- C176 H180 B4 Cl10 F8 N10 O8 -","2","1","","Sugiura, Shinya; Kobayashi, Yoichi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties","Chemical Communications","2019","","","","","10.1039/C9CC03407B","","","0.81128","Synchrotron","","0.1499","0.1293","","","0.3632","0.3973","","","","","","1.491","","","","has coordinates,has disorder","216031","2020-10-21","18:00:00",""
"7123679","14.132","0.0005","20.8389","0.0007","22.9987","0.0009","90","","94.211","0.003","90","","6754.7","0.4","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 Dy Ge O -","- C38 H45 Dy Ge O -","- C304 H360 Dy8 Ge8 O8 -","8","2","","Chen, Shiming; Xiong, Jin; Zhang, Yi-Quan; Ma, Fang; Sun, Hao-Ling; Wang, Bingwu; Gao, Song","Dysprosium Complexes Bearing Unsupported DyIII–GeII/SnII Metal–Metal Bonds as Single-Ion Magnets","Chemical Communications","2019","","","","","10.1039/C9CC00388F","","","0.71073","MoKα","","0.1047","0.0689","","","0.1663","0.1789","","","","","","1.057","","","","has coordinates,has disorder","276402","2022-06-29","09:49:56",""
"7123680","12.6271","0.0004","17.0698","0.0002","23.3096","0.0008","90","","132.134","0.006","90","","3725.8","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H53 Dy O Sn -","- C42 H53 Dy O Sn -","- C168 H212 Dy4 O4 Sn4 -","4","1","","Chen, Shiming; Xiong, Jin; Zhang, Yi-Quan; Ma, Fang; Sun, Hao-Ling; Wang, Bingwu; Gao, Song","Dysprosium Complexes Bearing Unsupported DyIII–GeII/SnII Metal–Metal Bonds as Single-Ion Magnets","Chemical Communications","2019","","","","","10.1039/C9CC00388F","","x-ray","0.71","MoKα","","0.023","0.0199","","","0.0473","0.0487","","","","","","1.04","","","","has coordinates","276402","2022-06-29","09:49:56",""
"7123681","10.069","0.003","5.4426","0.0014","14.511","0.003","90","","97.633","0.008","90","","788.2","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O -","- C21 H20 O -","- C42 H40 O2 -","2","1","","Shi, Min; Zang, Wenqing; Wei, Yin","Gold(I)-Catalyzed Cascade Cyclization of O-Tethered 1,7-Enynes Bearing a Cyclopropane Moiety: Construction of multi-Substituted Furans","Chemical Communications","2019","","","","","10.1039/C9CC03735G","","","0.71073","MoKα","","0.0691","0.049","","","0.1208","0.1389","","","","","","1.035","","","","has coordinates","216078","2020-10-21","18:00:00",""
"7123682","5.7795","0.0015","7.8483","0.0018","34.692","0.01","90","","91.786","0.01","90","","1572.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 I2 O -","- C15 H14 I2 O -","- C60 H56 I8 O4 -","4","1","","Shi, Min; Zang, Wenqing; Wei, Yin","Gold(I)-Catalyzed Cascade Cyclization of O-Tethered 1,7-Enynes Bearing a Cyclopropane Moiety: Construction of multi-Substituted Furans","Chemical Communications","2019","","","","","10.1039/C9CC03735G","","","0.71073","MoKα","","0.0867","0.065","","","0.1667","0.1865","","","","","","1.04","","","","has coordinates","216078","2020-10-21","18:00:00",""
"7123683","11.1989","0.0004","7.7847","0.0003","31.7495","0.001","90","","90","","90","","2767.92","0.17","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Br O -","- C16 H17 Br O -","- C128 H136 Br8 O8 -","8","1","","Shi, Min; Zang, Wenqing; Wei, Yin","Gold(I)-Catalyzed Cascade Cyclization of O-Tethered 1,7-Enynes Bearing a Cyclopropane Moiety: Construction of multi-Substituted Furans","Chemical Communications","2019","","","","","10.1039/C9CC03735G","","","0.71073","MoKα","","0.0502","0.0354","","","0.0836","0.0901","","","","","","1.052","","","","has coordinates","216078","2020-10-21","18:00:00",""
"7123684","28.694","0.003","28.694","0.003","36.141","0.005","90","","90","","120","","25770","5","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H140 N18 O49 S25 Zn25 -","- C90 H82.53 N18 O24 S25 Zn25 -","- C540 H495.18 N108 O144 S150 Zn150 -","6","0.333333","","Xue, Chaozhuang; Zhang, Jiaxu; Wang, Xiang; Gu, Meng; Zhu, Yuanmin; Li, Dong-Sheng; Guo, Jun; Liu, Yang; Wu, Tao","Light-Triggered Evolution of Molecular Cluster toward Sub-nanoscale Heterojunction with High Interface Density","Chemical Communications","2019","","","","","10.1039/C9CC03873F","","","0.71073","MoKα","","0.043","0.0351","","","0.0833","0.0884","","","","","","1.057","","","","has coordinates,has disorder","216079","2020-10-21","18:00:00",""
"7123685","9.6526","0.0005","7.4265","0.0004","30.2283","0.0016","90","","95.334","0.002","90","","2157.5","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H32 N2 O2 S -","- C23 H32 N2 O2 S -","- C92 H128 N8 O8 S4 -","4","1","","Wang, Can; Geng, Xiao; Zhao, Peng; Zhou, You; Wu, Yan-Dong; Cui, Yan-Fang; Wu, An-Xin","I2/CuCl2-Promoted One-Pot Three-Component Synthesis of Aliphatic or Aromatic Substituted 1,2,3-Thiadiazoles","Chemical Communications","2019","","","","","10.1039/C9CC04254G","","","1.54178","CuKα","","0.041","0.0408","","","0.1136","0.114","","","","","","1.07","","","","has coordinates,has disorder","216080","2020-10-21","18:00:00",""
"7123686","33.681","0.011","13.162","0.005","11.381","0.004","90","","90","","90","","5045","3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C27 H34 N2 O8 -","- C27 H34 N2 O8 -","- C108 H136 N8 O32 -","4","0.5","","Chen, Yuan; Qian, Cheng; Zhao, Qian; Cheng, Ming; Dong, Xinran; Zhao, Yue; Jiang, Juli; Wang, Leyong","Adjustable Chiral Self-sorting and Self-discriminating Behaviour between Diamond-like Tröger’s Base-linked Cryptands","Chemical Communications","2019","","","","","10.1039/C9CC03577J","","","0.71073","MoKα","","0.1239","0.0887","","","0.1997","0.2163","","","","","","1.193","","","","has coordinates","216081","2020-10-21","18:00:00",""
"7123687","8.8086","0.0012","11.8096","0.0016","15.178","0.002","87.221","0.004","88.432","0.003","88.271","0.004","1575.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 F3 N2 O10 -","- C29 H35 F3 N2 O10 -","- C58 H70 F6 N4 O20 -","2","1","","Chen, Yuan; Qian, Cheng; Zhao, Qian; Cheng, Ming; Dong, Xinran; Zhao, Yue; Jiang, Juli; Wang, Leyong","Adjustable Chiral Self-sorting and Self-discriminating Behaviour between Diamond-like Tröger’s Base-linked Cryptands","Chemical Communications","2019","","","","","10.1039/C9CC03577J","","","0.71073","MoKα","","0.1163","0.059","","","0.1335","0.1593","","","","","","0.985","","","","has coordinates,has disorder","216081","2020-10-21","18:00:00",""
"7123688","16.174","0.007","10.772","0.005","19.565","0.008","90","","92.84","0.02","90","","3405","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(azido)(2,2':6',2''-terpyridine-kN1)gold(III)","","- C15 H11 Au N12 -","- C15 H11 Au N12 -","- C120 H88 Au8 N96 -","8","1","","Peng, Kun; Friedrich, Alexandra; Schatzschneider, Ulrich","2,2':6',2''-Terpyridine switches from tridentate to monodentate coordination in a gold(III) terpy complex upon reaction with sodium azide","Chemical Communications","2019","","","","","10.1039/C9CC04113C","","","0.71073","MoKα","","0.027","0.0252","","","0.06","0.0607","","","","","","1.19","","","","has coordinates","216082","2020-10-21","18:00:00",""
"7123689","12.8851","0.0005","14.7661","0.0007","14.9956","0.0007","90","","106.008","0.001","90","","2742.5","0.2","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 F N O4 S -","- C29 H20 F N O4 S -","- C116 H80 F4 N4 O16 S4 -","4","1","","Zhang, Jitan; Wu, Manyi; Fan, Jian; Xu, Qiaoqiao; Xie, Meihua","Selective C-H Acylation of Indoles with α-Oxocarboxylic Acids at the C4-Position by Palladium Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC03893K","","","0.71073","MoKα","","0.187","0.1182","","","0.28","0.3161","","","","","","1.113","","","","has coordinates","216083","2020-10-21","18:00:00",""
"7123690","12.666","0.003","9.559","0.002","11.733","0.002","90","0.03","90","0.03","90","0.03","1420.6","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zhang, Jitan; Wu, Manyi; Fan, Jian; Xu, Qiaoqiao; Xie, Meihua","Selective C-H Acylation of Indoles with α-Oxocarboxylic Acids at the C4-Position by Palladium Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC03893K","","","0.71076","MoKα","","0.0406","0.038","","","0.0985","0.1021","","","","","","1.059","","","","has coordinates","216083","2020-10-21","18:00:00",""
"7123691","5.8479","0.0001","14.8989","0.0004","17.0994","0.0004","90","","95.941","0.001","90","","1481.82","0.06","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 F N O -","- C20 H16 F N O -","- C80 H64 F4 N4 O4 -","4","2","","Jimoh, Abiola Azeez; Hosseyni, Seyedmorteza; Ye, Xiaohan; Wojtas, Lukasz; Hu, Yong; Shi, Xiaodong","Gold Redox Catalysis for Cyclization/Arylation of Allylic Oximes: Synthesis of Isoxazoline Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC02830G","","","1.54178","CuKα","","0.0361","0.0348","","","0.0878","0.0888","","","","","","1.026","","","","has coordinates,has disorder","216084","2020-10-21","18:00:00",""
"7123692","6.0606","0.0011","8.5904","0.0019","13.007","0.003","90.724","0.017","93.87","0.016","96.893","0.018","670.6","0.2","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","DPh-D","","- C38 H26 N6 -","- C38 H26 N6 -","- C38 H26 N6 -","1","0.5","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Han, Jiayue; Wang, Jun; Guo, Jing; Hu, Yuanyuan; Zheng, Yonghao","Nitrogen analogues of Chichibabin's and Müller's hydrocarbons with small singlet‒triplet energy gaps","Chemical Communications","2019","","","","","10.1039/C9CC02725D","","","1.54184","CuKα","","0.0692","0.0475","","","0.1351","0.1509","","","","","","1.073","","","","has coordinates","216118","2020-10-21","18:00:00",""
"7123693","9.7422","0.0007","8.7533","0.0005","21.6004","0.0014","90","","96.623","0.003","90","","1829.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C88 H72 Cl4 N4 O12 -","4","1","","Qiang, Wang; Yuan, Ting; Liu, Qiang; Xu, Yong; Xie, Guanqun; Lv, Xin; Ding, Shujiang; Li, Chen; Wang, Xiaoxia","External oxidant-free oxidation/[3+2] cycloaddition/ aromatization cascade: electrochemical synthesis of polycyclic N-heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC04336E","","","0.71073","MoKα","","","0.0431","","","0.1247","0.1281","","","","","","1.031","","","","has coordinates","216119","2020-10-21","18:00:00",""
"7123694","7.446","0.004","7.446","0.004","10.156","0.006","90","","90","","90","","563.1","0.5","298","","298","","","","","","","","","4","I -4","I -4","82","","","","- K2 O12 P4 Sr -","- K2 O12 P4 Sr -","- K4 O24 P8 Sr2 -","2","0.25","","Bai, Zhiyong; Lin, Zhoubin; Zhang, Lizhen; Liu, Lehui; Huang, Yisheng; Yuan, Feifei","K2SrP4O12: A Deep-UV Transparent Cyclophosphate as Nonlinear Optical Crystal","Chemical Communications","2019","","","","","10.1039/C9CC04192C","","","0.71073","MoKα","","0.0225","0.0212","","","0.0449","0.045","","","","","","0.94","","","","has coordinates","216120","2020-10-21","18:00:00",""
"7123695","10.5445","0.0018","14.095","0.002","17.622","0.003","89.49","0.012","79.11","0.011","84.227","0.013","2558.7","0.7","170","2","170.02","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cl4 N8 O4 -","- C44 H40 Cl4 N8 O4 -","- C88 H80 Cl8 N16 O8 -","2","1","","Lei, Ye; Shen, Libo; Liu, Ji-Ren; Jiao, Tianyu; Zhang, Yang; Zhang, Chi; tong, lu; Hong, Xin; Pan, Yuanjiang; Li, Hao","A diquat-contained macrocyclic anion acceptor in pure water","Chemical Communications","2019","","","","","10.1039/C9CC03750K","","","1.34139","GaKα","","0.2672","0.1609","","","0.3664","0.45","","","","","","1.051","","","","has coordinates","216432","2020-10-21","18:00:00",""
"7123696","11.6025","0.0011","16.878","0.002","17.2459","0.0018","115.767","0.007","91.17","0.008","91.512","0.007","3038.4","0.6","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 F24 N9 O4 P4 -","- C46 H43 F24 N9 O4 P4 -","- C92 H86 F48 N18 O8 P8 -","2","1","","Lei, Ye; Shen, Libo; Liu, Ji-Ren; Jiao, Tianyu; Zhang, Yang; Zhang, Chi; tong, lu; Hong, Xin; Pan, Yuanjiang; Li, Hao","A diquat-contained macrocyclic anion acceptor in pure water","Chemical Communications","2019","","","","","10.1039/C9CC03750K","","","1.34139","GaKα","","0.2428","0.1467","","","0.3276","0.3903","","","","","","1.012","","","","has coordinates","216432","2020-10-21","18:00:00",""
"7123697","17.4113","0.0005","33.6611","0.0011","20.8777","0.0006","90","","90","","90","","12236.1","0.6","170","2","169.99","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C51 H47 F18 N8 O7 P3 S -","- C51 H47 F18 N8 O7 P3 S -","- C408 H376 F144 N64 O56 P24 S8 -","8","0.5","","Lei, Ye; Shen, Libo; Liu, Ji-Ren; Jiao, Tianyu; Zhang, Yang; Zhang, Chi; tong, lu; Hong, Xin; Pan, Yuanjiang; Li, Hao","A diquat-contained macrocyclic anion acceptor in pure water","Chemical Communications","2019","","","","","10.1039/C9CC03750K","","","1.34139","GaKα","","0.2111","0.1307","","","0.3618","0.4193","","","","","","1.318","","","","has coordinates,has disorder","216432","2020-10-21","18:00:00",""
"7123698","10.3715","0.0003","13.1559","0.0004","10.7808","0.0003","90","","97.025","0.003","90","","1459.96","0.07","292.99","0.1","292.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cd F N3 P S3 -","- C7 H11 Cd F N3 P S3 -","- C28 H44 Cd4 F4 N12 P4 S12 -","4","1","","Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3]","Chemical Communications","2019","","","","","10.1039/C9CC03857D","","","0.71073","MoKα","","0.0783","0.0721","","","0.2205","0.2268","","","","","","1.083","","","","has coordinates","216478","2020-10-21","18:00:00",""
"7123699","10.2216","0.0005","13.3718","0.0007","10.6974","0.0005","90","","90","","90","","1462.13","0.13","337.95","0.1","337.95","0.1","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C7 H12 Cd N3 P S3 -","- C7 H12 Cd N3 P S3 -","- C28 H48 Cd4 N12 P4 S12 -","4","0.5","","Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3]","Chemical Communications","2019","","","","","10.1039/C9CC03857D","","","0.71073","MoKα","","0.092","0.0799","","","0.2557","0.2707","","","","","","1.072","","","","has coordinates","216478","2020-10-21","18:00:00",""
"7123700","10.287","0.002","13.299","0.003","10.788","0.002","90","","95.07","0.03","90","","1470.1","0.5","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Cd N3 P S3 -","- C7 H12 Cd N3 P S3 -","- C28 H48 Cd4 N12 P4 S12 -","4","1","","Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3]","Chemical Communications","2019","","","","","10.1039/C9CC03857D","","","0.71073","MoKα","","0.1239","0.0803","","","0.2142","0.2468","","","","","","1.057","","","","has coordinates","216478","2020-10-21","18:00:00",""
"7123701","10.3487","0.0004","13.2129","0.0004","10.7451","0.0004","90","","90","","90","","1469.25","0.09","333","","333","","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C7 H10 Cd F N3 P S3 -","- C7 H11 Cd F N3 P S3 -","- C28 H44 Cd4 F4 N12 P4 S12 -","4","0.5","","Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3]","Chemical Communications","2019","","","","","10.1039/C9CC03857D","","","0.71073","MoKα","","0.1137","0.1007","","","0.3843","0.4099","","","","","","1.821","","","","has coordinates,has disorder","216478","2020-10-21","18:00:00",""
"7123702","10.9909","0.0006","12.8403","0.0007","17.774","0.0009","69.3587","0.0013","88.5929","0.0014","75.5745","0.0015","2267.8","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H51 Co N5 O5 S4 -","- C38.5 H29.5 Co N5 O5 S4 -","- C77 H59 Co2 N10 O10 S8 -","2","1","","Cai, Junkai; Zhao, Liang; Wei, Jianwei; He, Cheng; Long, Saran; Duan, Chunying","Negatively charged metal-organic hosts with cobalt dithiolene species: Improving PET processes for light-driven proton reduction through host-guest electrostatic interactions","Chemical Communications","2019","","","","","10.1039/C9CC03871J","","","0.71073","MoKα","","0.095","0.0748","","","0.1877","0.1992","","","","","","1.045","","","","has coordinates,has disorder","216479","2020-10-21","18:00:00",""
"7123703","13.8759","0.0013","19.6896","0.0018","28.663","0.003","109.279","0.003","93.004","0.004","105.142","0.004","7052.2","1.2","199","2","199","2","","","","","","","","6","P -1","-P 1","2","","","","- C129 H175 Co3 N20 O17 S12 -","- C129 H171 Co3 N20 O17 S12 -","- C258 H342 Co6 N40 O34 S24 -","2","1","","Cai, Junkai; Zhao, Liang; Wei, Jianwei; He, Cheng; Long, Saran; Duan, Chunying","Negatively charged metal-organic hosts with cobalt dithiolene species: Improving PET processes for light-driven proton reduction through host-guest electrostatic interactions","Chemical Communications","2019","","","","","10.1039/C9CC03871J","","","0.71073","MoKα","","0.1008","0.0827","","","0.234","0.2443","","","","","","1.07","","","","has coordinates,has disorder","216479","2020-10-21","18:00:00",""
"7123704","13.8188","0.0008","14.0788","0.0009","18.6554","0.0012","94.464","0.002","101.089","0.002","99.865","0.002","3485.9","0.4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H66 Cl Co N10 O9 Ru S4 -","- C62 H58 Cl Co N10 O9 Ru S4 -","- C124 H116 Cl2 Co2 N20 O18 Ru2 S8 -","2","1","","Cai, Junkai; Zhao, Liang; Wei, Jianwei; He, Cheng; Long, Saran; Duan, Chunying","Negatively charged metal-organic hosts with cobalt dithiolene species: Improving PET processes for light-driven proton reduction through host-guest electrostatic interactions","Chemical Communications","2019","","","","","10.1039/C9CC03871J","","","0.71073","MoKα","","0.1351","0.091","","","0.1977","0.2175","","","","","","1.065","","","","has coordinates,has disorder","216479","2020-10-21","18:00:00",""
"7123705","10.2922","0.0001","12.5622","0.0001","17.1913","0.0002","90","","104.969","0.001","90","","2147.28","0.04","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 I N2 Ru S -","- C22 H23 I N2 Ru S -","- C88 H92 I4 N8 Ru4 S4 -","4","1","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","x-ray","1.54184","CuKα","","0.0292","0.0278","","","0.0756","0.0766","","","","","","1.046","","","","has coordinates","216480","2020-10-21","18:00:00",""
"7123706","14.2389","0.0002","7.8105","0.0002","38.0164","0.0007","90","","90","","90","","4227.92","0.15","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H27 I N2 Ru -","- C22 H27 I N2 Ru -","- C176 H216 I8 N16 Ru8 -","8","1","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.0935","0.0953","","","","","","1.065","","","","has coordinates","216480","2020-10-21","18:00:00",""
"7123707","14.9258","0.0002","19.4601","0.0002","27.9272","0.0004","90","","90","","90","","8111.67","0.18","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 I N2 Ru -","- C21 H25 I N2 Ru -","- C336 H400 I16 N32 Ru16 -","16","4","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","x-ray","1.54184","CuKα","","0.0425","0.0381","","","0.0995","0.1016","","","","","","1.065","","","","has coordinates","216480","2020-10-21","18:00:00",""
"7123708","7.7867","0.0002","11.3713","0.0002","14.9139","0.0003","69.44","0.002","86.519","0.002","76.073","0.002","1199.68","0.05","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C21 H22 Cl3 D I N3 O2 Ru -","- C21 H22 Cl3 D I N3 O2 Ru -","- C42 H44 Cl6 D2 I2 N6 O4 Ru2 -","2","1","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","x-ray","1.54184","CuKα","","0.0356","0.0333","","","0.0867","0.0879","","","","","","1.086","","","","has coordinates,has disorder","216480","2020-10-21","18:00:00",""
"7123709","10.1584","0.0003","12.5283","0.0003","17.3543","0.0006","90","","106.96","0.001","90","","2112.58","0.11","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 I N2 Ru S -","- C22 H23 I N2 Ru S -","- C88 H92 I4 N8 Ru4 S4 -","4","1","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","","0.71073","MoKα","","0.0322","0.0245","","","0.0435","0.0463","","","","","","1.082","","","","has coordinates","216480","2020-10-21","18:00:00",""
"7123710","7.8987","0.0007","6.2421","0.0006","14.8718","0.0014","90","","103.53","0.005","90","","712.9","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Karpiuk, Jerzy; Gawrys, Pawel; Karpiuk, Elena; Suwinska, Kinga","Electron transfer across a spiro link: extreme solvatofluorochromism of a compact spiro-bridged N,N-dimethylaniline-phthalide dyad","Chemical Communications","2019","","","","","10.1039/C9CC02933H","","","1.54178","CuKα","","0.037","0.0339","","","0.082","0.0855","","","","","","1.076","","","","has coordinates","216481","2020-10-21","18:00:00",""
"7123711","9.304","0.006","12.635","0.006","14.949","0.007","90","","99.29","0.04","90","","1734.3","1.6","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Mishra, Pawan K.; Verma, Shalini; Kumar, Manoj; Kumar, Ankit; Verma, Akhilesh K.","Harnessing the Reactivity of ortho-Formyl-arylketones: Base-Promoted Regiospecific Synthesis of Functionalized Isoquinolines","Chemical Communications","2019","","","","","10.1039/C9CC03689J","","x-ray","0.71073","MoKα","","0.1475","0.0549","","","0.1249","0.1657","","","","","","0.89","","","","has coordinates","216482","2020-10-21","18:00:00",""
"7123712","8.575","0.0002","9.8132","0.0002","11.2552","0.0002","102.238","0.001","93.993","0.001","110.845","0.001","854.02","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 N -","- C25 H17 N -","- C50 H34 N2 -","2","1","","Mishra, Pawan K.; Verma, Shalini; Kumar, Manoj; Kumar, Ankit; Verma, Akhilesh K.","Harnessing the Reactivity of ortho-Formyl-arylketones: Base-Promoted Regiospecific Synthesis of Functionalized Isoquinolines","Chemical Communications","2019","","","","","10.1039/C9CC03689J","","x-ray","0.71073","MoKα","","0.0482","0.0386","","","0.1079","0.1202","","","","","","0.712","","","","has coordinates","216482","2020-10-21","18:00:00",""
"7123713","7.9851","0.0002","9.3241","0.0002","13.5175","0.0003","96.593","0.001","106.222","0.001","96.154","0.001","949.68","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C38 H44 Br2 N2 O8 -","2","1","","Li, Jian; Hu, Jie; Fei, Youwen; Zhao, Hongbin; Wang, Zhishuang; Li, Chunju","Cascade cyclization and acyl migration of propargylic esters with isocyanides: a rapid access to substituted furans","Chemical Communications","2019","","","","","10.1039/C9CC03550H","","","1.34138","GaKα","","0.0366","0.0347","","","0.0925","0.0942","","","","","","1.042","","","","has coordinates","216483","2020-10-21","18:00:00",""
"7123714","9.2922","0.0002","17.3394","0.0005","16.3648","0.0005","90","","91.234","0.002","90","","2636.1","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 H8 N O10 -","- B5 H8 N O10 -","- B40 H64 N8 O80 -","8","2","","Ploszajski, Anna Rebecca; Billing, Matthew; Skipper, Neal; Cockcroft, Jeremy Karl","A Novel Ammonium Pentaborate ‒ Poly(ethylene-glycol) Templated Polymer-Inclusion Compound","Chemical Communications","2019","","","","","10.1039/C9CC02720C","","x-ray","1.54184","CuKα","","0.0492","0.0383","","","0.1048","0.1117","","","","","","1.002","","","","has coordinates,has disorder","216484","2020-10-21","18:00:00",""
"7123715","13.899","0.0005","14.2368","0.0005","18.9706","0.0007","86.8201","0.0013","88.6083","0.0013","73.9461","0.0012","3601.7","0.2","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C69 H92 Cl8 Cr N O4 P2 Pt Ru -","- C69 H92 Cl8 Cr N O4 P2 Pt Ru -","- C138 H184 Cl16 Cr2 N2 O8 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Bendix, Jesper","Platinum(II) as an assembly point for carbide and nitride ligands","Chemical Communications","2019","","","","","10.1039/C9CC03411K","","","0.71073","MoKα","","0.0255","0.021","","","0.0447","0.0465","","","","","","1.042","","","","has coordinates,has disorder","216485","2020-10-21","18:00:00",""
"7123716","13.911","0.0006","23.2724","0.001","32.5218","0.0013","88.0019","0.0015","78.048","0.0014","82.9501","0.0014","10222.1","0.7","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H88 Cl4 Cr N O4 P2 Pt Ru -","- C67 H88 Cl4 Cr N O4 P2 Pt Ru -","- C402 H528 Cl24 Cr6 N6 O24 P12 Pt6 Ru6 -","6","3","","Reinholdt, Anders; Bendix, Jesper","Platinum(II) as an assembly point for carbide and nitride ligands","Chemical Communications","2019","","","","","10.1039/C9CC03411K","","","0.71073","MoKα","","0.0654","0.0423","","","0.0953","0.1025","","","","","","1.047","","","","has coordinates,has disorder","216485","2020-10-21","18:00:00",""
"7123717","7.5347","0.0008","18.3928","0.0019","11.1854","0.0012","90","","107.741","0.001","90","","1476.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Dioxo(methanol)(2,4-dihydroxo-salicylaldehyde S-methyldithiocarbazone)molybdenum(VI)","","- C12 H15 Mo N3 O5 S -","- C12 H15 Mo N3 O5 S -","- C48 H60 Mo4 N12 O20 S4 -","4","1","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","","0.71073","MoKα","","0.0416","0.037","","","0.0939","0.0967","","","","","","1.142","","","","has coordinates","216535","2020-10-21","18:00:00",""
"7123718","6.9997","0.0002","25.3248","0.0007","10.7346","0.0003","90","","94.777","0.003","90","","1896.27","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 B10 O2 -","- C16 H20 B10 O2 -","- C64 H80 B40 O8 -","4","1","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","","0.7107","MoKα","","0.0642","0.0521","","","0.1306","0.1383","","","","","","1.054","","","","has coordinates","216535","2020-10-21","18:00:00",""
"7123719","13.0593","0.0007","13.3337","0.0006","16.6231","0.0009","95.7","0.004","110.824","0.005","111.529","0.004","2427.2","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 B10 O4 -","- C20 H32 B10 O4 -","- C80 H128 B40 O16 -","4","2","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","","1.54184","CuKα","","0.0739","0.0617","","","0.1679","0.1817","","","","","","1.048","","","","has coordinates,has disorder","216535","2020-10-21","18:00:00",""
"7123720","17.596","0.005","11.332","0.003","25.121","0.007","90","","106.586","0.004","90","","4801","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H57 B20 Cl3 -","- C41 H57 B20 Cl3 -","- C164 H228 B80 Cl12 -","4","0.5","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","","0.71073","MoKα","","0.081","0.0564","","","0.1391","0.1564","","","","","","1.022","","","","has coordinates","216535","2020-10-21","18:00:00",""
"7123721","10.0809","0.0003","9.02379","0.00019","13.9208","0.0003","90","","100.834","0.002","90","","1243.77","0.05","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 B10 -","- C26 H28 B10 -","- C52 H56 B20 -","2","1","","Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc","Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.","Chemical Communications","2019","","","","","10.1039/C9CC04526K","","x-ray","1.54184","CuKα","","0.0417","0.0385","","","0.0959","0.0989","","","","","","1.057","","","","has coordinates","216535","2020-10-21","18:00:00",""
"7123722","8.815","0.004","22.04","0.01","9.233","0.004","90","","105.538","0.009","90","","1728.3","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F3 N -","- C21 H22 F3 N -","- C84 H88 F12 N4 -","4","1","","Liang, Shuaishuai; Wei, Jingjing; Jiang, Lvqi; Liu, Jie; Mumtaz, Yasir; Yi, Wen-bin","One-Pot Synthesis of Trifluoromethyl Amines and Perfluoroalkyl Amines with CF3SO2Na and RfSO2Na","Chemical Communications","2019","","","","","10.1039/C9CC03282G","","","0.71073","MoKα","","0.1514","0.0928","","","0.218","0.2478","","","","","","1.067","","","","has coordinates","216536","2020-10-21","18:00:00",""
"7123723","5.159","0.003","15.964","0.008","18.237","0.01","97.386","0.01","91.735","0.008","96","0.012","1479.9","1.4","223","2","223.25","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H22 Cl2 N4 O17 P4 Zn2 -","- C15 H22 Cl2 N4 O17 P4 Zn2 -","- C30 H44 Cl4 N8 O34 P8 Zn4 -","2","1","","Inukai, Munehiro; Nishiyama, Yusuke; Honjo, Kayako; Das, Chinmoy; Kitagawa, Susumu; Horike, Satoshi","Glass-phase coordination polymer displaying proton conductivity and guest-accessible porosity","Chemical Communications","2019","","","","","10.1039/C9CC02744K","","","0.71075","MoKα","","0.1488","0.0865","","","0.1671","0.2031","","","","","","1.058","","","","has coordinates,has disorder","216537","2020-10-21","18:00:00",""
"7123724","8.0685","0.0002","18.8284","0.0006","8.1393","0.0002","90","","95.576","0.002","90","","1230.65","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C56 H50 N6 O8 -","2","1","","you, yong; Lu, Wen-Ya; Xie, Ke-Xin; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Weicheng","Enantioselective Synthesis of Isoquinoline-1,3(2H,4H)-dione Derivatives via Chiral Phosphoric Acid Catalyzed aza-Friedel−Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC04057A","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0902","0.0924","","","","","","1.029","","","","has coordinates,has disorder","216538","2020-10-21","18:00:00",""
"7123725","8.05116","0.00014","10.41903","0.00019","21.8099","0.0004","90","","90","","90","","1829.53","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","you, yong; Lu, Wen-Ya; Xie, Ke-Xin; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Weicheng","Enantioselective Synthesis of Isoquinoline-1,3(2H,4H)-dione Derivatives via Chiral Phosphoric Acid Catalyzed aza-Friedel−Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC04057A","","x-ray","1.54184","CuKα","","0.041","0.0378","","","0.0993","0.1033","","","","","","1.032","","","","has coordinates","216538","2020-10-21","18:00:00",""
"7123726","10.81497","0.0001","10.81497","0.0001","37.0777","0.0004","90","","90","","90","","4336.74","0.07","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C168 H200 N24 O32 -","8","1","","you, yong; Lu, Wen-Ya; Xie, Ke-Xin; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Weicheng","Enantioselective Synthesis of Isoquinoline-1,3(2H,4H)-dione Derivatives via Chiral Phosphoric Acid Catalyzed aza-Friedel−Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC04057A","","x-ray","1.54184","CuKα","","0.0471","0.0423","","","0.1131","0.1178","","","","","","1.043","","","","has coordinates,has disorder","216538","2020-10-21","18:00:00",""
"7123727","37.8547","0.0006","9.37739","0.00014","26.6795","0.0004","90","","97.832","0.0015","90","","9382.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H46 F3 N8 Nd O5.5 S -","- C47 H46 F3 N8 Nd O5.5 S -","- C376 H368 F24 N64 Nd8 O44 S8 -","8","1","","Ayers, Kaitlynn M.; Schley, Nathan D.; Ung, Gaël","Monometallic lanthanide salicylhydrazone complexes exhibiting strong near-infrared luminescence","Chemical Communications","2019","","","","","10.1039/C9CC03934A","","x-ray","1.54184","CuKα","","0.0552","0.044","","","0.1148","0.1233","","","","","","1.029","","","","has coordinates,has disorder","216582","2020-10-21","18:00:00",""
"7123728","26.8628","0.0004","9.29634","0.00017","37.5992","0.0005","90","","98.6743","0.0013","90","","9282.1","0.3","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H51 Er F3 N8 O6 S -","- C47 H51 Er F3 N8 O6 S -","- C376 H408 Er8 F24 N64 O48 S8 -","8","1","","Ayers, Kaitlynn M.; Schley, Nathan D.; Ung, Gaël","Monometallic lanthanide salicylhydrazone complexes exhibiting strong near-infrared luminescence","Chemical Communications","2019","","","","","10.1039/C9CC03934A","","x-ray","0.71073","MoKα","","0.0445","0.0357","","","0.069","0.0722","","","","","","1.066","","","","has coordinates","216582","2020-10-21","18:00:00",""
"7123729","49.2884","0.0008","9.2867","0.0001","26.8502","0.0004","90","","131.202","0.003","90","","9246.9","0.5","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 F3 N8 O6 S Yb -","- C47 H51 F3 N8 O6 S Yb -","- C376 H408 F24 N64 O48 S8 Yb8 -","8","1","","Ayers, Kaitlynn M.; Schley, Nathan D.; Ung, Gaël","Monometallic lanthanide salicylhydrazone complexes exhibiting strong near-infrared luminescence","Chemical Communications","2019","","","","","10.1039/C9CC03934A","","x-ray","1.54184","CuKα","","0.0341","0.0336","","","0.0845","0.0848","","","","","","1.045","","","","has coordinates","216582","2020-10-21","18:00:00",""
"7123730","14.9936","0.0013","16.3764","0.001","17.6759","0.0014","90","","110.103","0.003","90","","4075.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","compound 2","","- C43 H64 Fe N2 O5 -","- C43 H64 Fe N2 O5 -","- C172 H256 Fe4 N8 O20 -","4","1","","Groysman, Stanislav; Grass, Amanda; Stoian, Sebastian A.; Lord, Richard L.","Transition metal-mediated reductive coupling of diazoesters","Chemical Communications","2019","","","","","10.1039/C9CC03771C","","","0.71073","MoKα","","0.0557","0.039","","","0.1018","0.1075","","","","","","1.088","","","","has coordinates","216583","2020-10-21","18:00:00",""
"7123731","12.8015","0.0008","13.8204","0.0008","16.5396","0.0007","67.517","0.005","87.324","0.004","85.158","0.005","2693.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H84 Cl N7 O S6 -","- C43 H84 Cl N7 O S6 -","- C86 H168 Cl2 N14 O2 S12 -","2","1","","Akhtar, Nasim; Pradhan, Nirmalya; Saha, Abhishek; Kumar, Vishnu; Biswas, Oindrila; Dey, Subhasis; Shah, Manisha; Kumar, Sachin; Manna, Debasis","Tuning the Solubility of the Ionophores: Glutathione-Mediated Transport of Chloride Ion across the Membranes","Chemical Communications","2019","","","","","10.1039/C9CC04518J","","","0.71073","MoKα","","0.1197","0.0739","","","0.1708","0.2061","","","","","","1.02","","","","has coordinates","216584","2020-10-21","18:00:00",""
"7123732","16.1393","0.0007","7.0248","0.0004","37.8519","0.0018","90","","93.108","0.005","90","","4285.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 B F2 N3 O -","- C26 H18 B F2 N3 O -","- C208 H144 B8 F16 N24 O8 -","8","1","","Zhao, Na; Ma, Chengcheng; Yang, Weiyao; Yin, Wei; Wei, Jiahui; Li, Nan","Facile construction of boranil complexes with aggregation-induced emission characteristics and their specific lipid droplets imaging applications","Chemical Communications","2019","","","","","10.1039/C9CC04041B","","x-ray","1.54184","CuKα","","0.0977","0.0726","","","0.1812","0.2108","","","","","","1.042","","","","has coordinates","216585","2020-10-21","18:00:00",""
"7123733","6.3794","0.0002","17.4457","0.0005","13.9241","0.0004","90","","92.88","0.003","90","","1547.7","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F2 N2 O -","- C17 H19 B F2 N2 O -","- C68 H76 B4 F8 N8 O4 -","4","1","","Zhao, Na; Ma, Chengcheng; Yang, Weiyao; Yin, Wei; Wei, Jiahui; Li, Nan","Facile construction of boranil complexes with aggregation-induced emission characteristics and their specific lipid droplets imaging applications","Chemical Communications","2019","","","","","10.1039/C9CC04041B","","x-ray","1.54184","CuKα","","0.079","0.0734","","","0.1976","0.2052","","","","","","1.086","","","","has coordinates","216585","2020-10-21","18:00:00",""
"7123734","6.3782","0.0003","11.9598","0.0005","18.7878","0.0008","93.233","0.003","95.9","0.004","105.309","0.004","1369.77","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52 B2 Cl4 F4 N6 O2 -","- C56 H52 B2 Cl4 F4 N6 O2 -","- C56 H52 B2 Cl4 F4 N6 O2 -","1","0.5","","Zhao, Na; Ma, Chengcheng; Yang, Weiyao; Yin, Wei; Wei, Jiahui; Li, Nan","Facile construction of boranil complexes with aggregation-induced emission characteristics and their specific lipid droplets imaging applications","Chemical Communications","2019","","","","","10.1039/C9CC04041B","","x-ray","1.54184","CuKα","","0.0836","0.0715","","","0.195","0.2128","","","","","","1.071","","","","has coordinates","216585","2020-10-21","18:00:00",""
"7123735","6.6105","0.0001","11.8833","0.0002","15.8503","0.0004","90","","100.495","0.002","90","","1224.28","0.04","170","2","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Dreger, Alexander; Wonner, Patrick; Engelage, Elric; Walter, Sebastian M.; Stoll, Raphael; Huber, Stefan M.","A halogen-bonding-catalysed Nazarov cyclisation reaction","Chemical Communications","2019","","","","","10.1039/C9CC02816A","","x-ray","1.54184","CuKα","","0.0425","0.0357","","","0.0876","0.092","","","","","","1.034","","","","has coordinates","216598","2020-10-21","18:00:00",""
"7123736","19.4557","0.0004","19.4557","0.0004","7.0842","0.0002","90","","90","","120","","2322.28","0.09","200","1","200","1","","","","","","","","4","P 63","P 6c","173","","","","- C51 H54 N6 O9 -","- C51 H54 N6 O9 -","- C102 H108 N12 O18 -","2","0.333333","","Basuyaux, Gaëtan; Desmarchelier, Alaric; Gontard, Geoffrey; Vanthuyne, Nicolas; Moussa, Jamal; Amouri, Hani Haniel; Raynal, Matthieu; Bouteiller, Laurent","Extra hydrogen bonding interactions by peripheral indole groups stabilize benzene-1,3,5-tricarboxamide helical assemblies","Chemical Communications","2019","","","","","10.1039/C9CC03906F","","","1.54178","CuKα","","0.0349","0.0325","","","0.0849","0.0869","","","","","","1.042","","","","has coordinates","216599","2020-10-21","18:00:00",""
"7123737","25.902","0.0005","16.9604","0.0003","47.2064","0.0009","90","","104.116","0.001","90","","20112","0.7","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","[(CpAr)Th(CH2-C6H4-CH3)3]","","","- C99 H132 Th -","- C99 H132 Th -","- C792 H1056 Th8 -","8","1","","Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua","Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles","Chemical Communications","2019","","","","","10.1039/C9CC04013G","","","0.71073","MoKα","","0.084","0.0518","","","0.1245","0.1397","","","","","","1.002","","","","has coordinates,has disorder","216600","2020-10-21","18:00:00",""
"7123738","14.7237","0.0017","14.9064","0.0017","24.091","0.003","97.141","0.003","95.688","0.002","118.572","0.003","4530.6","0.9","193","2","193","2","","","","","","","","4","P -1","-P 1","2","[(CpAr*)(Cp*)ThH2(THF)]","","","- C89 H130 O Th -","- C89 H130 O Th -","- C178 H260 O2 Th2 -","2","1","","Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua","Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles","Chemical Communications","2019","","","","","10.1039/C9CC04013G","","","0.71073","MoKα","","0.217","0.0941","","","0.1562","0.1994","","","","","","0.871","","","","has coordinates,has disorder","216600","2020-10-21","18:00:00",""
"7123739","15.5087","0.0008","20.668","0.0011","30.4806","0.0016","90","","101.23","0.001","90","","9583","0.9","193","2","193","2","","","","","","","hexane","4","P 1 21/c 1","-P 2ybc","14","[(CpAr*)(Cp*)Th(Me3Si-C-CH=CHC-SiMe3)]","","","- C95 H140 Si2 Th -","- C95 H140 Si2 Th -","- C380 H560 Si8 Th4 -","4","1","","Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua","Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles","Chemical Communications","2019","","","","","10.1039/C9CC04013G","","","0.71073","MoKα","","0.0721","0.0466","","","0.1057","0.1156","","","","","","0.934","","","","has coordinates,has disorder","216600","2020-10-21","18:00:00",""
"7123740","13.7094","0.0007","15.5474","0.0008","24.9054","0.0013","85.259","0.001","80.153","0.001","72.058","0.001","4973.4","0.4","193","2","193","2","","","","","","","Toluene and Hexane","3","P -1","-P 1","2","[(CpAr*)(Cp*)Th(H)(PhC=CHPh)]","","","- C99 H132 Th -","- C99 H132 Th -","- C198 H264 Th2 -","2","1","","Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua","Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles","Chemical Communications","2019","","","","","10.1039/C9CC04013G","","","0.71073","MoKα","","0.0594","0.0472","","","0.1133","0.121","","","","","","1.009","","","","has coordinates,has disorder","216600","2020-10-21","18:00:00",""
"7123741","15.7332","0.001","39.615","0.003","16.3475","0.001","90","","98.604","0.001","90","","10074.3","1.2","193","2","193","2","","","","","","","hexane","3","P 1 21/n 1","-P 2yn","14","[(CpAr*)(Cp*)Th(PhCH-CH=CH-CHPh)]","","","- C101 H134 Th -","- C101 H134 Th -","- C404 H536 Th4 -","4","1","","Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua","Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles","Chemical Communications","2019","","","","","10.1039/C9CC04013G","","","0.71073","MoKα","","0.0971","0.0468","","","0.0805","0.0897","","","","","","0.716","","","","has coordinates,has disorder","216600","2020-10-21","18:00:00",""
"7123742","14.7678","0.0011","15.0111","0.0011","23.5344","0.0017","108.004","0.001","90.791","0.001","91.23","0.001","4959.4","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","[(CpAr*)(Cp*)Th(PhCH-CC-CHPh)]","","","- C101 H132 Th -","- C101 H132 Th -","- C202 H264 Th2 -","2","1","","Qin, Guorui; Wang, Yang; Shi, Xianghui; del Rosal, Iker; Laurent, Maron; Cheng, Jianhua","Monomeric Thorium Dihydrido Complex: A Versatile Precursor to Actinide Metallacycles","Chemical Communications","2019","","","","","10.1039/C9CC04013G","","","0.71073","MoKα","","0.0489","0.0381","","","0.0854","0.0917","","","","","","1.007","","","","has coordinates,has disorder","216600","2020-10-21","18:00:00",""
"7123743","10.2022","0.0008","10.4755","0.0009","11.83","0.001","74.3668","0.0012","67.2826","0.0012","79.7541","0.0012","1119.2","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","3l in manuscript","","","- C25 H20 Br Cl N2 O3 S -","- C25 H20 Br Cl N2 O3 S -","- C50 H40 Br2 Cl2 N4 O6 S2 -","2","1","","Song, Lina; Tian, Xianhai; Rudolph, Matthias; Rominger, Frank -; Hashmi, Stephen","Gold(III)-Catalyzed Chemoselective Annulations of Anthranils with N-Allylynamides for the Synthesis of 3-Azabicyclo[3.1.0]hexan-2-imines","Chemical Communications","2019","","","","","10.1039/C9CC04027G","","","0.71073","MoKα","","0.0585","0.0363","","","0.0738","0.0809","","","","","","1.023","","","","has coordinates","216618","2020-10-21","18:00:00",""
"7123744","6.607","0.0015","10.215","0.002","18.879","0.004","80.717","0.005","82.997","0.005","83.968","0.005","1243.3","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3o in manuscript","","","- C29 H30 N2 O3 S -","- C29 H30 N2 O3 S -","- C58 H60 N4 O6 S2 -","2","1","","Song, Lina; Tian, Xianhai; Rudolph, Matthias; Rominger, Frank -; Hashmi, Stephen","Gold(III)-Catalyzed Chemoselective Annulations of Anthranils with N-Allylynamides for the Synthesis of 3-Azabicyclo[3.1.0]hexan-2-imines","Chemical Communications","2019","","","","","10.1039/C9CC04027G","","","0.71073","MoKα","","0.1033","0.0583","","","0.1293","0.1519","","","","","","1.01","","","","has coordinates","216618","2020-10-21","18:00:00",""
"7123745","8.476","0.003","14.578","0.005","12.795","0.005","90","","100.486","0.004","90","","1554.6","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O3 S -","- C15 H16 Cl N O3 S -","- C60 H64 Cl4 N4 O12 S4 -","4","1","","Wu, Yan-Chen; Jiang, Shuai-Shuai; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Transition-Metal- and Oxidant-Free Directed Anodic C-H Sulfonylation of N,N-Disubstituted Anilines with Sulfinates","Chemical Communications","2019","","","","","10.1039/C9CC03789F","","","0.71073","MoKα","","0.146","0.07","","","0.1552","0.2222","","","","","","1.188","","","","has coordinates","216619","2020-10-21","18:00:00",""
"7123746","18.109","0.006","9.708","0.003","19.555","0.006","90","","99.535","0.006","90","","3390.3","1.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C144 H128 Cl8 N8 O16 S8 -","8","4","","Wu, Yan-Chen; Jiang, Shuai-Shuai; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Transition-Metal- and Oxidant-Free Directed Anodic C-H Sulfonylation of N,N-Disubstituted Anilines with Sulfinates","Chemical Communications","2019","","","","","10.1039/C9CC03789F","","","0.71073","MoKα","","0.152","0.0671","","","0.0611","0.0736","","","","","","1.041","","","","has coordinates","216619","2020-10-21","18:00:00",""
"7123747","15.2055","0.0003","8.4329","0.0002","20.7092","0.0004","90","","92.719","0.001","90","","2652.48","0.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F3 N2 O7 S2 -","- C25 H25 F3 N2 O7 S2 -","- C100 H100 F12 N8 O28 S8 -","4","1","","Kobayashi, Naoko; Kaneko, Kazuma; Amemiya, Sho; Noguchi, Keiichi; Yamanaka, Masahiro; Saito, Akio","Alkyne aza-Prins cyclization of N-(hexa-3,5-diynyl) tosylamides with aldehydes using triflic acid and binuclear aluminum complex","Chemical Communications","2019","","","","","10.1039/C9CC03700D","","","1.54187","CuKα","","0.0497","0.0465","","","0.1279","0.131","","","","","","1.071","","","","has coordinates,has disorder","216664","2020-10-21","18:00:00",""
"7123748","14.6443","0.0003","8.94928","0.00016","16.7454","0.0003","90","","104.98","0.0007","90","","2120","0.07","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C104 H84 N4 O12 S4 -","4","1","","Kobayashi, Naoko; Kaneko, Kazuma; Amemiya, Sho; Noguchi, Keiichi; Yamanaka, Masahiro; Saito, Akio","Alkyne aza-Prins cyclization of N-(hexa-3,5-diynyl) tosylamides with aldehydes using triflic acid and binuclear aluminum complex","Chemical Communications","2019","","","","","10.1039/C9CC03700D","","","1.54187","CuKα","","0.0425","0.037","","","0.0959","0.1002","","","","","","1.07","","","","has coordinates","216664","2020-10-21","18:00:00",""
"7123749","9.4625","0.0005","9.5168","0.0005","17.7628","0.001","100.843","0.002","96.323","0.002","102.954","0.002","1511.54","0.14","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","P2PCoBr","","- C30 H41 Br Co P3 -","- C30 H41 Br Co P3 -","- C60 H82 Br2 Co2 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.0172","0.0164","","","0.0423","0.0426","","","","","","1.064","","","","has coordinates","216665","2020-10-21","18:00:00",""
"7123750","10.9453","0.0006","14.9644","0.0008","23.9133","0.0015","90","","101.797","0.003","90","","3834","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","P2PCoBrCO","","- C41.47 H53 Br Co O0.96 P3 -","- C41.465 H53 Br Co O0.965 P3 -","- C165.86 H212 Br4 Co4 O3.86 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.04","0.0313","","","0.0745","0.0771","","","","","","1.069","","","","has coordinates,has disorder","216665","2020-10-21","18:00:00",""
"7123751","10.843","0.002","16.079","0.003","17.991","0.003","109.036","0.007","92.528","0.007","90.859","0.008","2960.8","0.9","100","2","100","","","","","","","","","6","P -1","-P 1","2","","P2PCoCO","","- C30.98 H41 Br0.02 Co O0.98 P3 -","- C30.9808 H41 Br0.01925 Co O0.98075 P3 -","- C123.923 H164 Br0.077 Co4 O3.923 P12 -","4","2","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.0309","0.0248","","","0.0663","0.0678","","","","","","1.043","","","","has coordinates,has disorder","216665","2020-10-21","18:00:00",""
"7123752","9.4357","0.0004","9.6576","0.0006","17.4658","0.0008","102.756","0.003","98.244","0.002","103.517","0.003","1477.06","0.13","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","P2PCoCOH","","- C31 H42 Co O P3 -","- C31 H42 Co O P3 -","- C62 H84 Co2 O2 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.0231","0.0207","","","0.053","0.0535","","","","","","1.061","","","","has coordinates","216665","2020-10-21","18:00:00",""
"7123753","11.1659","0.0004","16.1007","0.0005","26.6135","0.0008","90","","97.384","0.001","90","","4744.9","0.3","200","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","P2PCoCONaDME3","","- C43 H71 Co Na O7 P3 -","- C43 H71 Co Na O7 P3 -","- C172 H284 Co4 Na4 O28 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.029","0.0268","","","0.0741","0.0759","","","","","","1.049","","","","has coordinates,has disorder","216665","2020-10-21","18:00:00",""
"7123754","10.4158","0.0011","16.6407","0.0012","12.8005","0.0011","90","","95.289","0.004","90","","2209.2","0.3","100","2","99.95","","","","","","","","","6","P 1 21 1","P 2yb","4","","P2PCoCOSitBuPh2","","- C44.53 H56.84 Co O P3 Si -","- C44.5231 H56.838 Co O P3 Si -","- C89.0462 H113.676 Co2 O2 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.0337","0.0321","","","0.0804","0.0811","","","","","","1.072","","","","has coordinates,has disorder","216665","2020-10-21","18:00:00",""
"7123755","27.599","0.003","30.4","0.005","18.698","0.002","90","","132.65","","90","","11538","3","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","P2PCoCONacrown","","- C47 H73 Co Na O9 P3 -","- C47 H73 Co Na O9 P3 -","- C376 H584 Co8 Na8 O72 P24 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","O-Functionalization of a Cobalt Carbonyl Generates a Terminal Cobalt Carbyne","Chemical Communications","2019","","","","","10.1039/C9CC04032C","","","0.71073","MoKα","","0.0778","0.0592","","","0.1435","0.1527","","","","","","1.073","","","","has coordinates,has disorder","216665","2020-10-21","18:00:00",""
"7123756","14.2296","0.0013","15.8958","0.0014","23.381","0.002","75.199","0.001","87.381","0.001","68.625","0.001","4754.8","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H142 Fe10 N28 Na4 O169 P4 W32 -","- C44 H60 Fe10 N28 Na4 O169 P4 W32 -","- C44 H60 Fe10 N28 Na4 O169 P4 W32 -","1","0.5","","Jiang, Wei; Liu, Xiaomei; Liu, Lian; Shi, Jie; Cao, Jiapeng; Luo, Ximing; You, Wansheng; Xu, Yan","A novel polyoxometalate-based huge cluster Fe10P4W32 exhibiting prominent electrocatalytic activity for oxygen evolution reaction and third-order NLO properties","Chemical Communications","2019","","","","","10.1039/C9CC03937F","","","0.71073","MoKα","","0.0679","0.0444","","","0.109","0.1231","","","","","","0.99","","","","has coordinates,has disorder","216678","2020-10-21","18:00:00",""
"7123757","11.929","0.002","31.857","0.007","19.576","0.004","90","","103.082","0.003","90","","7246","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H134 Fe8 Mo N28 O113 W18 -","- C44 H60 Fe8 Mo N28 O113 W18 -","- C88 H120 Fe16 Mo2 N56 O226 W36 -","2","0.5","","Jiang, Wei; Liu, Xiaomei; Liu, Lian; Shi, Jie; Cao, Jiapeng; Luo, Ximing; You, Wansheng; Xu, Yan","A novel polyoxometalate-based huge cluster Fe10P4W32 exhibiting prominent electrocatalytic activity for oxygen evolution reaction and third-order NLO properties","Chemical Communications","2019","","","","","10.1039/C9CC03937F","","","0.71073","MoKα","","0.0752","0.0512","","","0.1147","0.1257","","","","","","1.08","","","","has coordinates","216678","2020-10-21","18:00:00",""
"7123758","12.2339","0.0002","8.562","0.0001","15.2029","0.0003","100.244","0.002","90","","90","","1567.07","0.05","293","2","293","2","","","","","","","","6","P 21/n 1 1","-P 2xn","14","","","","- C6 H20 Cl4 N2 O2 Zn -","- C6 H20 Cl4 N2 O2 Zn -","- C24 H80 Cl16 N8 O8 Zn4 -","4","1","","Yuan, Wei; Zeng, Ying; Tan, Ya-Yin; Zhou, Jianhua; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","A New Ferroelastic Hybrid Material with a Large Spontaneous Strain: (Me3NOH)2[ZnCl4]","Chemical Communications","2019","","","","","10.1039/C9CC03862K","","","1.54178","CuKα","","0.0414","0.0393","","","0.1125","0.1162","","","","","","1.08","","","","has coordinates","216679","2020-10-21","18:00:00",""
"7123759","12.2052","0.0006","8.7156","0.0004","15.4497","0.0007","90","","90","","90","","1643.47","0.13","373","2","373","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H20 Cl4 N2 O2 Zn -","- C6 H20 Cl4 N2 O2 Zn -","- C24 H80 Cl16 N8 O8 Zn4 -","4","0.5","","Yuan, Wei; Zeng, Ying; Tan, Ya-Yin; Zhou, Jianhua; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","A New Ferroelastic Hybrid Material with a Large Spontaneous Strain: (Me3NOH)2[ZnCl4]","Chemical Communications","2019","","","","","10.1039/C9CC03862K","","","1.54184","CuKα","","0.1167","0.1016","","","0.328","0.3609","","","","","","1.262","","","","has coordinates,has disorder","216679","2020-10-21","18:00:00",""
"7123760","7.9364","0.0009","21.825","0.002","17.4095","0.0017","90","","93.64","0.006","90","","3009.4","0.5","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H49 N5 O Zn -","- C29 H49 N5 O Zn -","- C116 H196 N20 O4 Zn4 -","4","2","","Honrado, Manuel; Sobrino Ramírez, Sonia; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María","Synthesis of an Enantiopure Scorpionate Ligand by a Nucleophilic Addition to a Ketenimine and a Zinc Initiator for the Isoselective ROP of rac-Lactide","Chemical Communications","2019","","","","","10.1039/C9CC04716F","","","0.71073","MoKα","","0.138","0.0612","","","0.1387","0.1849","","","","","","0.862","","","","has coordinates,has disorder","216680","2020-10-21","18:00:00",""
"7123761","13.0387","0.0009","13.2083","0.0009","19.4033","0.0014","76.749","0.001","78.484","0.001","68.265","0.001","2997","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 B2 O14 Si8 -","- C60 H50 B2 O14 Si8 -","- C120 H100 B4 O28 Si16 -","2","1","","Barry, Badru-Deen; Dannatt, Jonathan Elvin; King, Austin Kendall; Lee, Andre; Maleczka, Robert","A General Diversity Oriented Synthesis of Asymmetric Double-Decker Shaped Silsesquioxanes","Chemical Communications","2019","","","","","10.1039/C9CC03972D","","","0.71073","MoKα","","0.0961","0.0594","","","0.1444","0.1728","","","","","","1.055","","","","has coordinates,has disorder","216681","2020-10-21","18:00:00",""
"7123762","13.2208","0.0002","13.2988","0.0002","19.7225","0.0003","76.1452","0.0008","76.4917","0.001","69.0621","0.0009","3102.25","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H54 B2 O14 Si8 -","- C62 H54 B2 O14 Si8 -","- C124 H108 B4 O28 Si16 -","2","1","","Barry, Badru-Deen; Dannatt, Jonathan Elvin; King, Austin Kendall; Lee, Andre; Maleczka, Robert","A General Diversity Oriented Synthesis of Asymmetric Double-Decker Shaped Silsesquioxanes","Chemical Communications","2019","","","","","10.1039/C9CC03972D","","","1.54178","CuKα","","0.0426","0.0342","","","0.0886","0.094","","","","","","1.029","","","","has coordinates,has disorder","216681","2020-10-21","18:00:00",""
"7123763","24.7461","0.0003","22.7525","0.0004","11.4396","0.0002","90","","93.626","0.001","90","","6428.01","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 B2 O16 Si8 -","- C62 H54 B2 O16 Si8 -","- C248 H216 B8 O64 Si32 -","4","1","","Barry, Badru-Deen; Dannatt, Jonathan Elvin; King, Austin Kendall; Lee, Andre; Maleczka, Robert","A General Diversity Oriented Synthesis of Asymmetric Double-Decker Shaped Silsesquioxanes","Chemical Communications","2019","","","","","10.1039/C9CC03972D","","","1.54178","CuKα","","0.1208","0.0577","","","0.1213","0.149","","","","","","0.985","","","","has coordinates","216681","2020-10-21","18:00:00",""
"7123764","7.5934","0.0002","6.2414","0.0002","26.6906","0.0007","90","","94.31","0.001","90","","1261.38","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Gui, Qingwen; Wang, JuanJuan; Ng, Sean; Dancevic, Anja; Wright, Timothy B.; Evans, P. Andrew","Copper-Catalyzed Desymmetrization of Prochiral 4,4-Disubstituted Cyclopentenes via a Site-Selective Allylic Oxidation Reaction: A Concise Total Synthesis of Untenone A","Chemical Communications","2019","","","","","10.1039/C9CC01743G","","","0.71073","MoKα","","0.0486","0.0408","","","0.1064","0.113","","","","","","1.026","","","","has coordinates","216714","2020-10-21","18:00:00",""
"7123765","35.0861","0.0006","13.1244","0.0002","22.2626","0.0004","90","","100.785","0.002","90","","10070.5","0.3","150","0.1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H68 B Mg N2 O3 P -","- C53 H68 B Mg N2 O3 P -","- C424 H544 B8 Mg8 N16 O24 P8 -","8","2","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique; McMullin, Claire; Rajabi, Nasir A.","Diborane Heterolysis and P(V) Reduction by Ph3P=O Coordination to Magnesium","Chemical Communications","2019","","","","","10.1039/C9CC04294F","","","1.54184","CuKα","","0.0951","0.0856","","","0.1973","0.2025","","","","","","1.079","","","","has coordinates,has disorder","216748","2020-10-21","18:00:00",""
"7123766","35.0559","0.001","13.3465","0.0002","22.2186","0.0007","90","","100.589","0.003","90","","10218.5","0.5","149.9","0.5","149.9","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H136 B2 Mg2 N4 O8 P2 -","- C106 H136 B2 Mg2 N4 O8 P2 -","- C424 H544 B8 Mg8 N16 O32 P8 -","4","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique; McMullin, Claire; Rajabi, Nasir A.","Diborane Heterolysis and P(V) Reduction by Ph3P=O Coordination to Magnesium","Chemical Communications","2019","","","","","10.1039/C9CC04294F","","x-ray","1.54184","CuKα","","0.0897","0.0535","","","0.1226","0.141","","","","","","1.014","","","","has coordinates","216748","2020-10-21","18:00:00",""
"7123767","31.338","0.003","12.3942","0.0011","21.563","0.002","90","","119.014","0.004","90","","7324.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H59 Cl5 Ir2 N8 O8 -","- C86 H59 Cl5 Ir2 N8 O8 -","- C344 H236 Cl20 Ir8 N32 O32 -","4","0.5","","Yang, Hong; Cui, Lili; Wang, Chenchen; Zhang, Hongwei; Ma, Yunsheng; Deng, Guang; Zhou, Zhiguo; Lin, Jiaomin; Yang, Shiping","Facile one-step dialysis strategy for fabrication of hollow complex nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC04618F","","","0.71073","MoKα","","0.0659","0.0433","","","0.0934","0.1031","","","","","","1.003","","","","has coordinates","216749","2020-10-21","18:00:00",""
"7123768","14.342","0.0009","33.629","0.002","15.9083","0.0011","90","","98.56","0.002","90","","7587.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H124 Ho2 Ir4 N20 O22 -","- C176 H124 Ho2 Ir4 N20 O22 -","- C352 H248 Ho4 Ir8 N40 O44 -","2","0.5","","Yang, Hong; Cui, Lili; Wang, Chenchen; Zhang, Hongwei; Ma, Yunsheng; Deng, Guang; Zhou, Zhiguo; Lin, Jiaomin; Yang, Shiping","Facile one-step dialysis strategy for fabrication of hollow complex nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC04618F","","","0.71073","MoKα","","0.0792","0.0548","","","0.1318","0.1452","","","","","","1.008","","","","has coordinates","216749","2020-10-21","18:00:00",""
"7123769","11.4504","0.0001","8.5054","0.0001","12.2627","0.0001","90","","98.475","0.001","90","","1181.23","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O6 S -","- C25 H28 N2 O6 S -","- C50 H56 N4 O12 S2 -","2","1","","Zhang, Junliang; Cong, Tiantian; Wang, Huamin; Li, Xiuzheng; Wu, Hai-Hong","Chiral Bifunctional Bisphosphine Enabled Enantioselective Tandem Michael Addition of Tryptamine-Derived Oxindoles to Ynones","Chemical Communications","2019","","","","","10.1039/C9CC04357H","","x-ray","1.54184","CuKα","","0.0376","0.0373","","","0.1007","0.101","","","","","","1.056","","","","has coordinates","216750","2020-10-21","18:00:00",""
"7123770","8.3753","0.0006","11.1259","0.0009","12.194","0.0009","87.379","0.003","86.613","0.003","76.612","0.003","1102.86","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cl4 F6 N2 O2 Sb -","- C48 H44 Cl4 F6 N2 O2 Sb -","- C48 H44 Cl4 F6 N2 O2 Sb -","1","0.5","","Chow, Chi Hao Eugene; Han, Yi; Phan, Hoa; Wu, Jishan","Nitrogen-Doped Heptazethrene and Octazethrene Diradicaloids","Chemical Communications","2019","","","","","10.1039/C9CC04564C","","","1.54178","CuKα","","0.071","0.0698","","","0.1935","0.1956","","","","","","1.065","","","","has coordinates","216751","2020-10-21","18:00:00",""
"7123771","20.508","0.0005","5.606","0.0001","28.8557","0.0007","90","","92.577","0.001","90","","3314.12","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N2 O2 -","- C46 H40 N2 O2 -","- C184 H160 N8 O8 -","4","0.5","","Chow, Chi Hao Eugene; Han, Yi; Phan, Hoa; Wu, Jishan","Nitrogen-Doped Heptazethrene and Octazethrene Diradicaloids","Chemical Communications","2019","","","","","10.1039/C9CC04564C","","","1.54178","CuKα","","0.0481","0.0391","","","0.1112","0.1281","","","","","","1.092","","","","has coordinates","216751","2020-10-21","18:00:00",""
"7123772","15.9666","0.0005","16.6567","0.0005","26.8159","0.0009","90","","90","","90","","7131.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 N2 O2 -","- C50 H42 N2 O2 -","- C400 H336 N16 O16 -","8","2","","Chow, Chi Hao Eugene; Han, Yi; Phan, Hoa; Wu, Jishan","Nitrogen-Doped Heptazethrene and Octazethrene Diradicaloids","Chemical Communications","2019","","","","","10.1039/C9CC04564C","","","1.54178","CuKα","","0.1277","0.058","","","0.1223","0.1587","","","","","","0.983","","","","has coordinates,has disorder","216751","2020-10-21","18:00:00",""
"7123773","6.6953","0.0009","6.8192","0.0009","15.5018","0.0019","90","","90","","90","","707.76","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N8 O3 -","- C3 H2 N8 O3 -","- C12 H8 N32 O12 -","4","1","","Shreeve, Jean'ne M.; Hu, Lu; Yin, Ping; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.","Fused rings with N-oxide and -NH2: good combination for high density and low sensitivity energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC04496E","","","0.71073","MoKα","","0.0541","0.0337","","","0.0688","0.0757","","","","","","1.032","","","","has coordinates","216752","2020-10-21","18:00:00",""
"7123774","5.4287","0.0003","9.3438","0.0005","16.7314","0.0008","90","","90","","90","","848.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H5 N9 O4 -","- C3 H5 N9 O4 -","- C12 H20 N36 O16 -","4","1","","Shreeve, Jean'ne M.; Hu, Lu; Yin, Ping; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.","Fused rings with N-oxide and -NH2: good combination for high density and low sensitivity energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC04496E","","","0.71073","MoKα","","0.0651","0.0362","","","0.072","0.0809","","","","","","1.028","","","","has coordinates","216752","2020-10-21","18:00:00",""
"7123775","25.521","0.0013","15.0899","0.0013","19.9828","0.0012","90","","94.334","0.003","90","","7673.6","0.9","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C129 H50 N4 Ni S2 Th -","- C129 H50 N4 Ni S2 Th -","- C516 H200 N16 Ni4 S8 Th4 -","4","0.5","","Chen, Ning; Wang, Yaofeng; Morales-Martínez, Roser; Cai, Wenting; Zhuang, Jiaxin; Yang, Wei; Echegoyen, Luis; Poblet, Josep M.; Rodriguez-Fortea, Antonio","Th@C1(11)-C86： Actinide Encapsulated in an Unexpected C86 Fullerene Cage","Chemical Communications","2019","","","","","10.1039/C9CC04613E","","","0.71073","MoKα","","0.116","0.0815","","","0.2421","0.2724","","","","","","1.061","","","","has coordinates,has disorder","216753","2020-10-21","18:00:00",""
"7123776","6.6187","0.0003","11.2123","0.0006","11.3236","0.0006","108.909","0.004","94.499","0.004","90.543","0.004","791.99","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- B10 Ba3 F2.09 K0.09 O17 -","- B10 Ba3 F2.0852 K0.08525 O17 -","- B20 Ba6 F4.1704 K0.1705 O34 -","2","1","","Li, Yahui; Yu, Hongwei; Han, Guopeng; Li, Hao; Yang, Zhihua; Pan, Shilie","Ba3B10O17F2·0.1KF: The First Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Unprecedented Double-layered B-O/F Anionic Arrangement","Chemical Communications","2019","","","","","10.1039/C9CC02808K","","","0.71073","MoKα","","0.0391","0.0291","","","0.049","0.052","","","","","","1.028","","","","has coordinates","216754","2020-10-21","18:00:00",""
"7123777","12.213","0.002","12.0222","0.0019","14.68","0.002","90","","112.181","0.006","90","","1995.9","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Cl Fe I N Si -","- C17 H25 Cl Fe I N Si -","- C68 H100 Cl4 Fe4 I4 N4 Si4 -","4","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0582","0.0504","","","0.1224","0.1284","","","","","","1.168","","","","has coordinates,has disorder","216755","2020-10-21","18:00:00",""
"7123778","10.3652","0.0011","13.2629","0.0014","29.267","0.003","90","","90","","90","","4023.4","0.7","150","","150","","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C17 H24 Cl F Fe I N Si -","- C17 H24 Cl F Fe I N Si -","- C136 H192 Cl8 F8 Fe8 I8 N8 Si8 -","8","2","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0265","0.0241","","","0.0513","0.0523","","","","","","1.049","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123779","7.6115","0.0019","11.5","0.002","17.886","0.004","90","","90","","90","","1565.6","0.6","150","","150","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl F Fe I N -","- C14 H16 Cl F Fe I N -","- C56 H64 Cl4 F4 Fe4 I4 N4 -","4","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0249","0.0241","","","0.0581","0.0586","","","","","","1.107","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123780","7.3187","0.0012","12.538","0.002","21.583","0.003","90","","90","","90","","1980.5","0.5","150","","150","","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl F Fe I N Si -","- C17 H24 Cl F Fe I N Si -","- C68 H96 Cl4 F4 Fe4 I4 N4 Si4 -","4","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0309","0.0303","","","0.0759","0.0763","","","","","","1.333","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123781","25.124","0.004","35.336","0.006","7.0952","0.0013","90","","90","","90","","6299","1.9","150","","150","","","","","","","","synthesis as described","7","F d d 2","F 2 -2d","43","","","","- C14 H16 Cl F Fe I N -","- C14 H16 Cl F Fe I N -","- C224 H256 Cl16 F16 Fe16 I16 N16 -","16","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0211","0.0207","","","0.0485","0.0487","","","","","","1.106","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123782","7.4438","0.0013","10.97","0.002","16.145","0.003","90","","94.234","0.007","90","","1314.8","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Fe N -","- C14 H18 Cl Fe N -","- C56 H72 Cl4 Fe4 N4 -","4","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0454","0.0402","","","0.0981","0.1009","","","","","","1.525","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123783","8.3479","0.0005","13.311","0.0007","13.7777","0.0007","108.424","0.002","107.555","0.002","90.707","0.003","1375","0.13","100","","100","","","","","","","","Synthesis","5","P 1","P 1","1","","tert-Butyl (5aS,10bS,11aS)-6-acetyl-11a-hydroperoxy-3,3,10b-trimethyl-1,4-dioxo-1,3,4,5a,6,10b,11,11a-octahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-2-carboxylate (16)","","- C24.5 H32 Cl1.5 N3 O7.25 -","- C24.5 H32 Cl1.5 N3 O7.25 -","- C49 H64 Cl3 N6 O14.5 -","2","2","","Guo, Hai-Ming; Yang, Xin-He; Li, Jianping; Wang, Dong-Chao; Xie, Ming-Sheng; Qu, Gui-Rong","Enantioselective Dearomative [3+2] Cycloaddition of 2-Nitrobenzofurans with Aldehyde-Derived Morita−Baylis−Hillman Carbonates","Chemical Communications","2019","","","","","10.1039/C9CC04542B","","","0.71073","MoKα","","0.0847","0.0745","","","0.1817","0.1899","","","","","","1.08","","","","has coordinates,has disorder","216774","2020-10-21","18:00:00",""
"7123784","9.0883","0.0001","9.0883","0.0001","41.3484","0.0008","90","","90","","90","","3415.26","0.08","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Guo, Hai-Ming; Yang, Xin-He; Li, Jianping; Wang, Dong-Chao; Xie, Ming-Sheng; Qu, Gui-Rong","Enantioselective Dearomative [3+2] Cycloaddition of 2-Nitrobenzofurans with Aldehyde-Derived Morita−Baylis−Hillman Carbonates","Chemical Communications","2019","","","","","10.1039/C9CC04542B","","x-ray","1.54184","CuKα","","0.0775","0.0768","","","0.2148","0.2155","","","","","","1.082","","","","has coordinates","216774","2020-10-21","18:00:00",""
"7123785","22.15","0.002","6.9258","0.0009","24.121","0.003","90","","107.162","0.004","90","","3535.6","0.7","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Xu, Guangyang; Tang, Sheng-Biao; Shao, Ying; Sun, Jiangtao","B(C6F5)3-Catalyzed Formal [4+1]-Annulation of ortho-Quinone Methides with Diazoacetates: Access to 2,3-Dihydrobenzofurans","Chemical Communications","2019","","","","","10.1039/C9CC04863D","","","0.71073","MoKα","","0.0652","0.0495","","","0.1305","0.1423","","","","","","1.011","","","","has coordinates","216775","2020-10-21","18:00:00",""
"7123786","18.0338","0.0016","5.8228","0.0006","17.2022","0.0017","90","","99.63","0.003","90","","1780.9","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Xu, Guangyang; Tang, Sheng-Biao; Shao, Ying; Sun, Jiangtao","B(C6F5)3-Catalyzed Formal [4+1]-Annulation of ortho-Quinone Methides with Diazoacetates: Access to 2,3-Dihydrobenzofurans","Chemical Communications","2019","","","","","10.1039/C9CC04863D","","","0.71073","MoKα","","0.0557","0.0451","","","0.1122","0.1184","","","","","","1.023","","","","has coordinates","216775","2020-10-21","18:00:00",""
"7123787","59.112","0.015","9.934","0.003","18.475","0.005","90","","106.229","0.005","90","","10417","5","247","2","247","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H70 Al Cd3 N7 O20 -","- C68 H70 Al Cd3 N7 O20 -","- C272 H280 Al4 Cd12 N28 O80 -","4","1","","Xia, Qingchun; Yuan, Chen; Li, Yongxin; Cui, Yong","Design and Assembly of a Chiral Composite Metal−Organic Framework for Efficient Asymmertric Sequential Transformation of Alkene to Amino Alcohol","Chemical Communications","2019","","","","","10.1039/C9CC04131A","","","0.71073","MoKα","","0.1082","0.071","","","0.1685","0.1858","","","","","","0.988","","","","has coordinates,has disorder","216776","2020-10-21","18:00:00",""
"7123788","8.8096","0.0005","9.0152","0.0005","10.3747","0.0006","74.507","0.003","77.133","0.003","80.906","0.003","769.81","0.08","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","4-fluoro-1-methyl-2,3-diphenyl-1H-indole","","- C21 H16 F N -","- C21 H16 F N -","- C42 H32 F2 N2 -","2","1","","Shang, Yaping; Jonnada, Krishna; Yedage, Subhash L.; Tu, Hua; Zhang, Xiaofeng; Lou, Xin; Huang, Shijun; Su, Weiping","Rhodium(III)-Catalyzed Indole Synthesis at Room Temperature Using the Transient Oxidizing Directing Group Strategy","Chemical Communications","2019","","","","","10.1039/C9CC04529E","","","0.71073","MoKα","","0.0806","0.0571","","","0.152","0.1832","","","","","","1.143","","","","has coordinates","216844","2020-10-21","18:00:00",""
"7123789","8.8963","0.0011","24.68","0.003","21.421","0.003","90","","90","","90","","4703.2","1","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","","methyl 3-acetyl-1-methyl-2-phenyl-1H-indole-5-carboxylate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C228 H204 N12 O36 -","12","1.5","","Shang, Yaping; Jonnada, Krishna; Yedage, Subhash L.; Tu, Hua; Zhang, Xiaofeng; Lou, Xin; Huang, Shijun; Su, Weiping","Rhodium(III)-Catalyzed Indole Synthesis at Room Temperature Using the Transient Oxidizing Directing Group Strategy","Chemical Communications","2019","","","","","10.1039/C9CC04529E","","","0.71073","MoKα","","0.1834","0.1253","","","0.2799","0.324","","","","","","1.087","","","","has coordinates","216844","2020-10-21","18:00:00",""
"7123790","9.0197","0.0002","9.5895","0.0003","20.6274","0.0005","90","","94.511","0.002","90","","1778.63","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(5-acetoxy-1-ethyl-3-methyl-1H-indol-2-yl)phenyl acetate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Shang, Yaping; Jonnada, Krishna; Yedage, Subhash L.; Tu, Hua; Zhang, Xiaofeng; Lou, Xin; Huang, Shijun; Su, Weiping","Rhodium(III)-Catalyzed Indole Synthesis at Room Temperature Using the Transient Oxidizing Directing Group Strategy","Chemical Communications","2019","","","","","10.1039/C9CC04529E","","","1.54184","CuKα","","0.0458","0.042","","","0.109","0.1126","","","","","","1.06","","","","has coordinates","216844","2020-10-21","18:00:00",""
"7123791","8.0634","0.0004","8.7636","0.0004","12.0264","0.0006","74.514","0.002","77.384","0.002","72.558","0.002","772.43","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","methyl 3-ethyl-1-methyl-2-phenyl-1H-indole-5-carboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Shang, Yaping; Jonnada, Krishna; Yedage, Subhash L.; Tu, Hua; Zhang, Xiaofeng; Lou, Xin; Huang, Shijun; Su, Weiping","Rhodium(III)-Catalyzed Indole Synthesis at Room Temperature Using the Transient Oxidizing Directing Group Strategy","Chemical Communications","2019","","","","","10.1039/C9CC04529E","","","0.71073","MoKα","","0.1555","0.0635","","","0.1663","0.2392","","","","","","1.01","","","","has coordinates","216844","2020-10-21","18:00:00",""
"7123792","12.5904","0.0004","12.8566","0.0004","13.5535","0.0005","62.87","0.003","73.384","0.003","75.94","0.003","1854.62","0.12","123","2","123","","","","","","","","","6","P -1","-P 1","2","","inverted-(all-R,S)-cycHC[6]","","- C54 H72 Cl18 D6 N12 O6 -","- C54 H72 Cl18 D6 N12 O6 -","- C54 H72 Cl18 D6 N12 O6 -","1","0.5","","Prigorchenko, Elena; Kaabel, Sandra; Narva, Triin; Baškir, Anastassia; Fomitšenko, Maria; Adamson, Jasper; Järving, Ivar; Rissanen, Kari; Tamm, Toomas; Aav, Riina","Formation and Trapping of the Thermodynamically Unfavoured inverted-hemicucurbit[6]uril","Chemical Communications","2019","","","","","10.1039/C9CC04990H","","x-ray","1.54184","CuKα","","0.0939","0.0862","","","0.2248","0.2309","","","","","","1.063","","","","has coordinates,has disorder","216845","2020-10-21","18:00:00",""
"7123793","9.3605","0.0003","15.3297","0.0004","20.4443","0.0006","102.353","0.002","96.569","0.002","100.991","0.002","2776.06","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H66 Cl2 N10 O20 Zn -","- C45 H66 Cl2 N10 O20 Zn -","- C90 H132 Cl4 N20 O40 Zn2 -","2","1","","Eccles, Natasha; Le Bailly, Bryden; della Sala, Flavio; Vitorica-Yrzebal, Inigo; Clayden, Jonathan; Webb, Simon","Remote conformational responses to enantiomeric excess in carboxylate-binding dynamic foldamers","Chemical Communications","2019","","","","","10.1039/C9CC03895G","","x-ray","0.71073","MoKα","","0.0818","0.0575","","","0.1229","0.1316","","","","","","1.047","","","","has coordinates,has disorder","216846","2020-10-21","18:00:00",""
"7123794","10.205","0.0002","9.46603","0.00018","13.9602","0.0003","90","","101.307","0.002","90","","1322.39","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H24 Br N O4 -","- C33 H24 Br N O4 -","- C66 H48 Br2 N2 O8 -","2","1","","Wang, Zhen-Hua; Zhang, Xia-Yan; Lei, Chuan-Wen; Zhao, Jian-Qiang; you, yong; Yuan, Weicheng","Highly Enantioselective Sequential Vinylogous Aldol Reaction/Transesterification of Methyl-Substituted Olefinic Butyrolactones with Isatins for the Construction of Chiral Spirocyclic Oxindole-Dihydropyranones","Chemical Communications","2019","","","","","10.1039/C9CC04427B","","x-ray","1.54184","CuKα","","0.0393","0.0374","","","0.0979","0.1003","","","","","","1.05","","","","has coordinates","216901","2020-10-21","18:00:00",""
"7123795","14.2215","0.0002","14.2215","0.0002","15.6241","0.0002","90","","90","","90","","3159.99","0.07","100","2","100","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.0435","0.0355","","","0.0792","0.0848","","","","","","1.034","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123796","19.216","0.0004","19.216","0.0004","8.974","0.0002","90","","90","","90","","3313.69","0.12","296","2","296","2","","","","","","","","3","P -4 21 c","P -4 2n","114","2-(p-tolyl)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyl)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.039","0.0343","","","0.0849","0.0889","","","","","","1.026","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123797","18.838","0.0007","9.8555","0.0004","20.0216","0.0007","90","","115.797","0.002","90","","3346.7","0.2","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-(p-tolyl)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyl)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.1144","0.0631","","","0.1729","0.2119","","","","","","1.013","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123798","14.3658","0.0004","14.3658","0.0004","15.8337","0.0005","90","","90","","90","","3267.7","0.16","373","2","373","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.0633","0.038","","","0.0838","0.0993","","","","","","1.075","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123799","14.51","0.015","14.51","0.015","15.944","0.011","90","","90","","90","","3357","5","473","2","473","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.1938","0.1033","","","0.2436","0.3456","","","","","","0.981","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123800","14.3222","0.0006","14.3222","0.0006","15.7591","0.0007","90","","90","","90","","3232.6","0.2","296","2","296","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.0633","0.0406","","","0.0853","0.0982","","","","","","1.046","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123801","42.722","0.018","8.732","0.004","21.661","0.009","90","","94.395","0.009","90","","8057","6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 Cl2 Dy O4 -","- C45 H51 Cl2 Dy O4 -","- C360 H408 Cl16 Dy8 O32 -","8","1","","Liu, Bing-Cheng; Ge, Ning; Zhai, Yuan-Qi; Zhang, Tao; Ding, You-Song; Zheng, Yan-Zhen","Imido Ligand Significantly Enhances The Effective Energy Barrier of Dysprosium(III) Single-Molecule Magnets","Chemical Communications","2019","","","","","10.1039/C9CC04687A","","","0.71073","MoKα","","0.0537","0.0378","","","0.0789","0.0843","","","","","","1.091","","","","has coordinates,has disorder","216904","2020-10-21","18:00:00",""
"7123802","18.1751","0.0016","12.3575","0.0011","20.0341","0.0017","90","","96.1852","0.0013","90","","4473.4","0.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 Cl2 Dy N3 O4 -","- C43 H68 Cl2 Dy N3 O4 -","- C172 H272 Cl8 Dy4 N12 O16 -","4","1","","Liu, Bing-Cheng; Ge, Ning; Zhai, Yuan-Qi; Zhang, Tao; Ding, You-Song; Zheng, Yan-Zhen","Imido Ligand Significantly Enhances The Effective Energy Barrier of Dysprosium(III) Single-Molecule Magnets","Chemical Communications","2019","","","","","10.1039/C9CC04687A","","","0.71073","MoKα","","0.0507","0.031","","","0.0638","0.0702","","","","","","1.029","","","","has coordinates","216904","2020-10-21","18:00:00",""
"7123803","9.7335","0.0002","20.6854","0.0003","10.7411","0.0002","90","","103.192","0.002","90","","2105.56","0.07","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 O2 P S -","- C22 H18 F3 O2 P S -","- C88 H72 F12 O8 P4 S4 -","4","1","","Cao, Chengyao kimmy; Zhang, Yue; Lan, Tianlei; Liu, Wei; Chen, Chao","The Facile Synthesis of α-trifluoromethylthio Phosphonium Ylides with a Constrained Trifluoromethylthiooxide via Proton-transfer Procedure","Chemical Communications","2019","","","","","10.1039/C9CC04234B","","x-ray","1.54184","CuKα","","0.0437","0.0404","","","0.135","0.1407","","","","","","1.132","","","","has coordinates","216905","2020-10-21","18:00:00",""
"7123804","11.6129","0.0005","12.0953","0.0005","13.3673","0.0005","99.785","0.001","107.232","0.001","110.183","0.001","1603.75","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H102 Ca2 N6 O2 -","- C66 H102 Ca2 N6 O2 -","- C66 H102 Ca2 N6 O2 -","1","0.5","","Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin","Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide","Chemical Communications","2019","","","","","10.1039/C9CC04698D","","","0.71073","MoKα","","0.0931","0.0507","","","0.1097","0.1338","","","","","","1.037","","","","has coordinates","216906","2020-10-21","18:00:00",""
"7123805","10.5271","0.0007","18.2281","0.001","12.1212","0.0007","90","","103.731","0.002","90","","2259.5","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H77 B Ca N4 O -","- C45 H77 B Ca N4 O -","- C90 H154 B2 Ca2 N8 O2 -","2","1","","Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin","Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide","Chemical Communications","2019","","","","","10.1039/C9CC04698D","","","0.71073","MoKα","","0.063","0.0439","","","0.0939","0.1061","","","","","","1.043","","","","has coordinates","216906","2020-10-21","18:00:00",""
"7123806","11.3589","0.0004","12.5204","0.0004","16.7864","0.0006","89.94","0.001","76.534","0.001","79.186","0.001","2278.19","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H69 B Ca N4 O -","- C47 H69 B Ca N4 O -","- C94 H138 B2 Ca2 N8 O2 -","2","1","","Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin","Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide","Chemical Communications","2019","","","","","10.1039/C9CC04698D","","","0.71073","MoKα","","0.0873","0.053","","","0.1242","0.1496","","","","","","1.055","","","","has coordinates","216906","2020-10-21","18:00:00",""
"7123807","10.7981","0.0008","11.0571","0.0007","18.4471","0.0008","102.842","0.005","91.101","0.005","117.979","0.007","1876.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H61 B Ca N4 O -","- C35 H61 B Ca N4 O -","- C70 H122 B2 Ca2 N8 O2 -","2","1","","Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin","Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide","Chemical Communications","2019","","","","","10.1039/C9CC04698D","","","0.71073","MoKα","","0.1124","0.0654","","","0.1382","0.1742","","","","","","1.031","","","","has coordinates","216906","2020-10-21","18:00:00",""
"7123808","12.6088","0.0004","15.1912","0.0007","21.9255","0.0008","90","","106.144","0.001","90","","4034.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H69 B Ca N4 O -","- C39 H69 B Ca N4 O -","- C156 H276 B4 Ca4 N16 O4 -","4","1","","Zheng, Xizhou; Huang, Jiasu; Yao, Yingming; Xu, Xin","Stoichiometric reactions and catalytic dehydrogenations of amine-boranes with calcium aryloxide","Chemical Communications","2019","","","","","10.1039/C9CC04698D","","","0.71073","MoKα","","0.1131","0.0604","","","0.1503","0.1948","","","","","","1.073","","","","has coordinates","216906","2020-10-21","18:00:00",""
"7123821","32.353","0.002","9.0652","0.0005","26.6939","0.0016","90","","113.503","0.003","90","","7179.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 Au2 B22 O P2 -","- C46 H60 Au2 B22 O P2 -","- C184 H240 Au8 B88 O4 P8 -","4","1","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.1004","0.0929","","","0.1936","0.1949","","","","","","3.81","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123822","13.5094","0.0005","16.2013","0.0007","20.8836","0.0008","90","","91.937","0.001","90","","4568.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H94 Ag4 B22 N4 P4 -","- C86 H94 Ag4 B22 N4 P4 -","- C172 H188 Ag8 B44 N8 P8 -","2","0.5","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.03","0.0235","","","0.0558","0.0579","","","","","","1.085","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123823","13.4734","0.0009","16.7754","0.0012","19.1508","0.0013","90","","91.565","0.002","90","","4326.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H94 Ag4 B22 O2 P4 S2 -","- C82 H94 Ag4 B22 O2 P4 S2 -","- C164 H188 Ag8 B44 O4 P8 S4 -","2","0.5","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.0307","0.0225","","","0.0476","0.0505","","","","","","1.036","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123824","11.145","0.002","12.322","0.003","18.366","0.004","84.17","0.03","76.36","0.03","68.33","0.03","2277.5","1","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Au2 B11 O P2 -","- C42 H47 Au2 B11 O P2 -","- C84 H94 Au4 B22 O2 P4 -","2","1","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.0738","0.0546","","","0.1434","0.161","","","","","","1.033","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123825","11.2596","0.0005","12.2332","0.0006","18.003","0.0009","80.935","0.001","75.008","0.001","68.427","0.001","2222.16","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 Au2 B11 Cl2 P2 -","- C40 H43 Au2 B11 Cl2 P2 -","- C80 H86 Au4 B22 Cl4 P4 -","2","1","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.02","0.017","","","0.0396","0.0406","","","","","","1.029","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123826","20.5131","0.0016","21.0277","0.0017","25.367","0.002","90","","90","","90","","10941.9","1.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C57 H56 Ag Au B11 P3 -","- C57 H56 Ag Au B11 P3 -","- C456 H448 Ag8 Au8 B88 P24 -","8","2","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.0388","0.0271","","","0.0525","0.0566","","","","","","1.023","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123827","13.772","0.0005","14.7348","0.0005","23.9233","0.0009","83.421","0.001","76.881","0.001","67.296","0.001","4359.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H91 Ag4 B22 N P4 -","- C86 H91 Ag4 B22 N P4 -","- C172 H182 Ag8 B44 N2 P8 -","2","1","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.0408","0.0319","","","0.0781","0.0819","","","","","","1.027","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123828","12.4449","0.0004","14.1794","0.0005","14.3583","0.0005","83.949","0.003","85.674","0.003","73.294","0.003","2410.51","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Au2 B11 O P2 -","- C43 H51 Au2 B11 O P2 -","- C86 H102 Au4 B22 O2 P4 -","2","1","","Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik","Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes","Chemical Communications","2019","","","","","10.1039/C9CC05060D","","","0.71073","MoKα","","0.0801","0.0481","","","0.1313","0.1402","","","","","","1.019","","","","has coordinates","216938","2020-10-21","18:00:00",""
"7123829","27.5164","0.001","29.4938","0.001","10.7214","0.0004","90","","99.147","0.002","90","","8590.4","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 F16 N10 O2 -","- C68 H42 F16 N10 O2 -","- C272 H168 F64 N40 O8 -","4","0.5","","Zhang, Zhenglin; Lieu, Thien; Wu, Chia-Hua; Wang, Xiqu; Wu, Judy I-Chia; Daugulis, Olafs; Miljanic, Ognjen Š.","Solvation-Dependent Switching of Solid-state Luminescence of a Fluorinated Aromatic Tetrapyrazole","Chemical Communications","2019","","","","","10.1039/C9CC03932E","","","1.54178","CuKα","","0.0637","0.0548","","","0.1631","0.1735","","","","","","1.026","","","","has coordinates","216939","2020-10-21","18:00:00",""
"7123830","17.4361","0.0003","20.2383","0.0004","21.2515","0.0004","88.976","0.001","72.805","0.001","70.255","0.001","6714.7","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H56 F16 N12 O4 -","- C74 H56 F16 N12 O4 -","- C296 H224 F64 N48 O16 -","4","2","","Zhang, Zhenglin; Lieu, Thien; Wu, Chia-Hua; Wang, Xiqu; Wu, Judy I-Chia; Daugulis, Olafs; Miljanic, Ognjen Š.","Solvation-Dependent Switching of Solid-state Luminescence of a Fluorinated Aromatic Tetrapyrazole","Chemical Communications","2019","","","","","10.1039/C9CC03932E","","","1.54178","CuKα","","0.0917","0.0669","","","0.1771","0.1994","","","","","","1.033","","","","has coordinates,has disorder","216939","2020-10-21","18:00:00",""
"7123831","21.774","0.004","45.367","0.008","36.9","0.006","90","","92.69","0.003","90","","36410","11","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CP4","CP4","","- C89.6 H82.8 Cl3.2 O8.4 -","- C89.6 H82.8 Cl3.2 O8.4 -","- C1792 H1656 Cl64 O168 -","20","5","","Kurosaki, Ryo; Suzuki, Mitsuhara; Hayashi, Hironobu; FUJIKI, Michiya; Aratani, Naoki; Yamada, Hiroko","Torsional chirality generation based on cyclic oligomers constructed from an odd number of pyrenes","Chemical Communications","2019","","","","","10.1039/C9CC03123E","","","0.71073","MoKα","","0.2586","0.1233","","","0.2911","0.4012","","","","","","1.06","","","","has coordinates,has disorder","216940","2020-10-21","18:00:00",""
"7123832","18.716","0.004","15.758","0.004","18.963","0.005","90","","111.956","0.004","90","","5187","2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CP6","CP6","","- C134 H124 Cl4 O12 -","- C134 H124 Cl4 O12 -","- C268 H248 Cl8 O24 -","2","0.5","","Kurosaki, Ryo; Suzuki, Mitsuhara; Hayashi, Hironobu; FUJIKI, Michiya; Aratani, Naoki; Yamada, Hiroko","Torsional chirality generation based on cyclic oligomers constructed from an odd number of pyrenes","Chemical Communications","2019","","","","","10.1039/C9CC03123E","","","0.71073","MoKα","","0.189","0.0793","","","0.1765","0.2405","","","","","","1.101","","","","has coordinates,has disorder","216940","2020-10-21","18:00:00",""
"7123834","14.4462","0.0013","20.1311","0.0017","25.473","0.002","90","","91.278","0.003","90","","7406.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H188 Cl12 K6 Np3 O42 -","- C120 H188 Cl12 K6 Np3 O42 -","- C240 H376 Cl24 K12 Np6 O84 -","2","0.5","","Pyrch, Mikaela; Williams, James; Forbes, Tori","Exploring Crown-Ether Functionalization on the Stabilization of Hexavalent Neptunium.","Chemical Communications","2019","","","","","10.1039/C9CC04393D","","","0.71073","MoKα","","0.0741","0.0512","","","0.1086","0.1179","","","","","","1.13","","","","has coordinates,has disorder","216982","2020-10-21","18:00:00",""
"7123835","8.991","","27.039","","10.637","","90","","92.82","","90","","2582.8","","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cl4 Na2 Np O14 -","- C40 H56 Cl4 Na2 Np O14 -","- C80 H112 Cl8 Na4 Np2 O28 -","2","0.5","","Pyrch, Mikaela; Williams, James; Forbes, Tori","Exploring Crown-Ether Functionalization on the Stabilization of Hexavalent Neptunium.","Chemical Communications","2019","","","","","10.1039/C9CC04393D","","","0.71073","MoKα","","0.0623","0.0397","","","0.0877","0.095","","","","","","1.106","","","","has coordinates,has disorder","216982","2020-10-21","18:00:00",""
"7123836","16.1839","0.0006","17.6048","0.0003","14.1755","0.0004","90","","118.502","0.003","90","","3549.3","0.2","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","compound 2","","- C56 H34 -","- C56 H34 -","- C224 H136 -","4","0.5","","Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro","An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties","Chemical Communications","2019","","","","","10.1039/C9CC03510A","","","0.71073","MoKα","","0.0354","0.0322","","","0.0893","0.0914","","","","","","1.074","","","","has coordinates","216983","2020-10-21","18:00:00",""
"7123837","19.4033","0.0007","5.3757","0.0002","15.7108","0.0006","90","","90","","90","","1638.74","0.11","123","2","123","2","","","","","","","","2","P n a 21","P 2c -2n","33","","compound 4","","- C28 H16 -","- C28 H16 -","- C112 H64 -","4","1","","Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro","An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties","Chemical Communications","2019","","","","","10.1039/C9CC03510A","","","0.71073","MoKα","","0.038","0.0318","","","0.072","0.075","","","","","","1.029","","","","has coordinates","216983","2020-10-21","18:00:00",""
"7123838","20.704","0.002","9.6416","0.0008","20.416","0.002","90","","111.978","0.002","90","","3779.3","0.6","123","","123","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","compound 1","","- C56 H38 -","- C56 H38 -","- C224 H152 -","4","1","","Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro","An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties","Chemical Communications","2019","","","","","10.1039/C9CC03510A","","","0.71075","MoKα","","0.0377","0.0322","","","0.0792","0.0825","","","","","","1.049","","","","has coordinates","216983","2020-10-21","18:00:00",""
"7123839","5.2967","0.0001","10.3438","0.0002","28.0395","0.0006","90","","90","","90","","1536.23","0.05","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C64 H52 Br4 O8 S4 -","4","1","","Luo, Hui-Yun; Xie, Yu-Yang; Song, Xu-Feng; Dong, Jia-Wei; Zhu, Deng; Chen, Zhi-Min","Lewis Base-Catalyzed Asymmetric Sulfenylation of Alkenes: Construction of Sulfenylated Lactones and Application to the Formal Syntheses of (-)-Nicotlactone B and (−)-Galbacin","Chemical Communications","2019","","","","","10.1039/C9CC04758A","","","1.54178","CuKα","","0.0726","0.0685","","","0.2008","0.2062","","","","","","1.086","","","","has coordinates","216984","2020-10-21","18:00:00",""
"7123840","6.79","0.003","8.39","0.002","8.689","0.003","108.45","0.03","102.39","0.03","112.79","0.04","399.4","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C18 H18 O2 S -","1","1","","Luo, Hui-Yun; Xie, Yu-Yang; Song, Xu-Feng; Dong, Jia-Wei; Zhu, Deng; Chen, Zhi-Min","Lewis Base-Catalyzed Asymmetric Sulfenylation of Alkenes: Construction of Sulfenylated Lactones and Application to the Formal Syntheses of (-)-Nicotlactone B and (−)-Galbacin","Chemical Communications","2019","","","","","10.1039/C9CC04758A","","","1.54178","CuKα","","0.043","0.038","","","0.0932","0.0982","","","","","","1.056","","","","has coordinates","216984","2020-10-21","18:00:00",""
"7123841","9.4457","0.0003","10.5805","0.0003","12.3374","0.0003","97.934","0.001","104.922","0.001","112.445","0.001","1061.91","0.05","114","1","114","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 Co2 N6 O14 -","- C42 H44 Co2 N6 O14 -","- C42 H44 Co2 N6 O14 -","1","0.5","","Alexandropoulos, Dimitris I.; Dolinar, Brian; Xie, Haomiao; Vignesh, Kuduva; Dunbar, Kim R.","A Co8 Metallacycle Stabilized by Double Anion-π interactions","Chemical Communications","2019","","","","","10.1039/C9CC04151F","","x-ray","0.71073","MoKα","","0.0282","0.0251","","","0.0623","0.0641","","","","","","1.089","","","","has coordinates","216985","2020-10-21","18:00:00",""
"7123842","26.972","0.0007","26.972","0.0007","14.847","0.0004","90","","90","","90","","10801","0.5","110","","110","","","","","","","","","8","I -4","I -4","82","","","","- C197.25 H148.51 Cl2.51 Co8 F24 N32 O41 S8 -","- C197.252 H148.504 Cl2.504 Co8 F24 N32 O41 S8 -","- C394.504 H297.008 Cl5.008 Co16 F48 N64 O82 S16 -","2","0.25","","Alexandropoulos, Dimitris I.; Dolinar, Brian; Xie, Haomiao; Vignesh, Kuduva; Dunbar, Kim R.","A Co8 Metallacycle Stabilized by Double Anion-π interactions","Chemical Communications","2019","","","","","10.1039/C9CC04151F","","","0.71073","MoKα","","0.0513","0.037","","","0.0749","0.0834","","","","","","1.079","","","","has coordinates,has disorder","216985","2020-10-21","18:00:00",""
"7123843","7.9107","0.0004","7.9633","0.0004","13.4394","0.0008","81.297","0.004","82.418","0.005","84.92","0.004","827.52","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H18 Cu F6 N6 O10 S2 -","- C28 H18 Cu F6 N6 O10 S2 -","- C28 H18 Cu F6 N6 O10 S2 -","1","0.5","","Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric","Mechanosynthesis of Sydnone-containing Coordination Complexes","Chemical Communications","2019","","","","","10.1039/C9CC04673A","","x-ray","0.71073","MoKα","","0.0671","0.0542","","","0.1401","0.148","","","","","","1.037","","","","has coordinates","216986","2020-10-21","18:00:00",""
"7123844","8.5206","0.0004","8.9361","0.0003","9.981","0.0003","94.269","0.003","99.231","0.003","94.285","0.003","745.13","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 N3 O2 Zn -","- C13 H9 Cl2 N3 O2 Zn -","- C26 H18 Cl4 N6 O4 Zn2 -","2","1","","Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric","Mechanosynthesis of Sydnone-containing Coordination Complexes","Chemical Communications","2019","","","","","10.1039/C9CC04673A","","x-ray","0.71073","MoKα","","0.0431","0.0305","","","0.0742","0.0773","","","","","","1.065","","","","has coordinates","216986","2020-10-21","18:00:00",""
"7123845","8.7441","0.0008","13.0971","0.0015","10.0411","0.001","90","","100.651","0.01","90","","1130.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-4-(2-pyridinyl)-sydnone","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric","Mechanosynthesis of Sydnone-containing Coordination Complexes","Chemical Communications","2019","","","","","10.1039/C9CC04673A","","x-ray","0.71073","MoKα","","0.096","0.0513","","","0.1181","0.1412","","","","","","1.018","","","","has coordinates","216986","2020-10-21","18:00:00",""
"7123846","8.0661","0.0003","8.8517","0.0004","10.0437","0.0004","108.745","0.004","104.613","0.003","96.672","0.004","641.7","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cl2 Cu N6 O4 -","- C26 H18 Cl2 Cu N6 O4 -","- C26 H18 Cl2 Cu N6 O4 -","1","0.5","","Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric","Mechanosynthesis of Sydnone-containing Coordination Complexes","Chemical Communications","2019","","","","","10.1039/C9CC04673A","","x-ray","0.71073","MoKα","","0.0371","0.0301","","","0.0789","0.0822","","","","","","1.05","","","","has coordinates","216986","2020-10-21","18:00:00",""
"7123847","17.095","0.0004","16.167","0.0003","10.0791","0.0002","90","","90","","90","","2785.61","0.1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H36 Cl6 Co3 N12 O8 -","- C52 H36 Cl6 Co3 N12 O8 -","- C104 H72 Cl12 Co6 N24 O16 -","2","0.5","","Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric","Mechanosynthesis of Sydnone-containing Coordination Complexes","Chemical Communications","2019","","","","","10.1039/C9CC04673A","","x-ray","0.71073","MoKα","","0.0563","0.0332","","","0.063","0.0689","","","","","","1.033","","","","has coordinates","216986","2020-10-21","18:00:00",""
"7123848","13.759","0.0017","9.4936","0.0008","13.7713","0.0015","90","","104.908","0.012","90","","1738.3","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C1.42 H0.86 N0.12 O0.12 -","- C1.41538 H0.861538 N0.123077 O0.123077 -","- C92 H56 N8 O8 -","65","16.25","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","0.71073","MoKα","","0.0858","0.0533","","","0.1251","0.1406","","","","","","1.03","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123849","12.4387","0.0007","9.6197","0.0005","13.4146","0.0009","90","","100.572","0.006","90","","1577.9","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12.57 H8 N1.14 O0.57 -","- C12.5714 H8 N1.14286 O0.571429 -","- C88 H56 N8 O4 -","7","1.75","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.0607","0.0441","","","0.1135","0.1271","","","","","","1.051","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123850","14.747","0.0004","7.5124","0.0002","15.3583","0.0005","90","","107.412","0.003","90","","1623.51","0.09","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2.97 H2.06 N0.26 O0.13 -","- C2.96774 H2.06452 N0.258065 O0.129032 -","- C92 H64 N8 O4 -","31","7.75","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.0461","0.0404","","","0.1068","0.1116","","","","","","1.026","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123851","8.88834","0.00018","18.6381","0.0004","16.8048","0.0003","90","","102.007","0.002","90","","2723.01","0.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2.67 H1.96 N0.16 O0.08 P0.08 Pd0.08 -","- C2.66667 H1.96078 N0.156863 O0.0784314 P0.0784314 Pd0.0784314 -","- C136 H100 N8 O4 P4 Pd4 -","51","12.75","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.0353","0.0309","","","0.0757","0.0787","","","","","","1.054","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123852","11.6498","0.0008","11.4654","0.0008","12.9919","0.0009","90","","102.44","0.007","90","","1694.6","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.88 H2 N0.25 O0.12 -","- C2.875 H2 N0.25 O0.125 -","- C92 H64 N8 O4 -","32","8","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.0667","0.0516","","","0.1512","0.1835","","","","","","1.179","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123853","13.9904","0.0004","7.6164","0.0002","18.5537","0.0005","90","","99.644","0.002","90","","1949.08","0.09","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2.59 H1.62 Cl0.22 F0.11 N0.22 O0.11 -","- C2.48649 H1.62162 Cl0.216216 F0.108108 N0.216216 O0.108108 -","- C92 H60 Cl8 F4 N8 O4 -","37","9.25","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.0848","0.071","","","0.2054","0.223","","","","","","1.046","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123854","8.3599","0.0009","9.1656","0.0018","12.047","0.002","101.84","0.016","102.78","0.012","93.053","0.012","876.3","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C3.83 H2.67 N0.33 O0.5 -","- C3.83333 H2.66667 N0.333333 O0.5 -","- C46 H32 N4 O6 -","12","6","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.1258","0.1106","","","0.3692","0.3836","","","","","","1.148","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123855","10.585","0.003","7.8514","0.0018","21.381","0.004","90","","103.63","0.02","90","","1726.9","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C1.42 H0.98 N0.12 O0.12 -","- C1.41538 H0.984615 N0.123077 O0.123077 -","- C92 H64 N8 O8 -","65","16.25","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","1.54184","CuKα","","0.1217","0.0828","","","0.2391","0.2789","","","","","","1.118","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123856","7.9197","0.0008","11.2944","0.0011","21.008","0.002","90","","97.906","0.009","90","","1861.3","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2.97 H1.83 N0.23 O0.11 -","- C2.97143 H1.82857 N0.228571 O0.114286 -","- C104 H64 N8 O4 -","35","8.75","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","0.71073","MoKα","","0.1149","0.061","","","0.1346","0.1615","","","","","","1.043","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123857","11.6827","0.0013","11.2961","0.0012","13.0187","0.0012","90","","101.779","0.01","90","","1681.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.67 H2.17 Cl0.17 N0.33 O0.17 -","- C3.66667 H2.16667 Cl0.166667 N0.333333 O0.166667 -","- C88 H52 Cl4 N8 O4 -","24","6","","Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen","Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones","Chemical Communications","2019","","","","","10.1039/C9CC04868E","","x-ray","0.71073","MoKα","","0.1004","0.0647","","","0.1686","0.1919","","","","","","1.06","","","","has coordinates","217044","2020-10-21","18:00:00",""
"7123858","11.1361","0.0005","15.7091","0.0008","9.5057","0.0005","90","","90","","90","","1662.91","0.14","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 2","P 2 2ab","18","","","","- C25 H46 Cl2 Fe Ge2 N4 O3 -","- C25 H46 Cl2 Fe Ge2 N4 O3 -","- C50 H92 Cl4 Fe2 Ge4 N8 O6 -","2","0.5","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0214","0.0184","","","0.0423","0.0438","","","","","","1.081","","","","has coordinates","217084","2020-10-21","18:00:00",""
"7123859","44.814","0.002","9.9093","0.0004","21.2706","0.001","90","","107.296","0.002","90","","9018.6","0.7","193","2","193","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H70 Cl Fe Ge2 N5 O3 Si2 -","- C33.5 H70 Cl Fe Ge2 N5 O3 Si2 -","- C268 H560 Cl8 Fe8 Ge16 N40 O24 Si16 -","8","1","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0644","0.0383","","","0.1026","0.1158","","","","","","1.092","","","","has coordinates,has disorder","217084","2020-10-21","18:00:00",""
"7123860","9.9149","0.0004","18.3126","0.0008","16.2508","0.0007","90","","104.495","0.002","90","","2856.7","0.2","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H92 Cl4 N8 O2 Sn4 -","- C44 H92 Cl4 N8 O2 Sn4 -","- C88 H184 Cl8 N16 O4 Sn8 -","2","0.5","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0594","0.038","","","0.1098","0.1522","","","","","","1.202","","","","has coordinates,has disorder","217084","2020-10-21","18:00:00",""
"7123861","10.8967","0.0004","33.0836","0.0013","13.0091","0.0006","90","","105.207","0.002","90","","4525.6","0.3","193","2","193","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C35 H64 Cl Fe Ge N5 O3 Si2 Sn -","- C35 H64 Cl Fe Ge N5 O3 Si2 Sn -","- C140 H256 Cl4 Fe4 Ge4 N20 O12 Si8 Sn4 -","4","2","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0538","0.0428","","","0.1047","0.1109","","","","","","1.05","","","","has coordinates,has disorder","217084","2020-10-21","18:00:00",""
"7123862","23.0059","0.0014","9.9312","0.0006","19.8961","0.0013","90","","101.86","0.002","90","","4448.7","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H64 Cl Fe Ge N5 O3 Si3 -","- C35 H64 Cl Fe Ge N5 O3 Si3 -","- C140 H256 Cl4 Fe4 Ge4 N20 O12 Si12 -","4","1","","Sodreau, Alexandre; Lentz, Nicolas; Frutos, Maria; Ladeira, Sonia; Nayral, Celine; Delpech, Fabien; Madec, David","Symmetric and non-symmetric bis-metallylene iron complexes, precursors of iron germanide nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC05063A","","","0.71073","MoKα","","0.0457","0.0344","","","0.0827","0.0928","","","","","","1.126","","","","has coordinates,has disorder","217084","2020-10-21","18:00:00",""
"7123863","28.8973","0.0009","26.7784","0.0008","32.6584","0.0011","90","","93.339","0.002","90","","25228.9","1.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C216 H192 Mo12 N24 O24 -","- C216 H192 Mo12 N24 O24 -","- C864 H768 Mo48 N96 O96 -","4","0.5","","Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D.","Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages","Chemical Communications","2019","","","","","10.1039/C9CC05002G","","","1.54178","CuKα","","0.145","0.1077","","","0.2741","0.3152","","","","","","1.093","","","","has coordinates,has disorder","217085","2020-10-21","18:00:00",""
"7123864","31.1697","0.0013","31.1697","0.0013","24.8716","0.0012","90","","90","","90","","24164","1.8","100","2","100","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C332 H276 Cu24 N48 O68 -","- C332 H276 Cu24 N48 O68 -","- C664 H552 Cu48 N96 O136 -","2","0.125","","Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D.","Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages","Chemical Communications","2019","","","","","10.1039/C9CC05002G","","","1.54178","CuKα","","0.1381","0.1017","","","0.2753","0.3158","","","","","","1.177","","","","has coordinates","217085","2020-10-21","18:00:00",""
"7123865","16.0829","0.0005","18.2035","0.0006","19.6805","0.0007","64.071","0.001","82.325","0.001","89.997","0.001","5124.3","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43.5 Mo2 N8.5 -","- C39 H43.5 Mo2 N8.5 -","- C156 H174 Mo8 N34 -","4","2","","Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D.","Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages","Chemical Communications","2019","","","","","10.1039/C9CC05002G","","","0.71073","MoKα","","0.0862","0.0466","","","0.1042","0.1183","","","","","","1.002","","","","has coordinates","217085","2020-10-21","18:00:00",""
"7123866","22.8717","0.0006","34.9204","0.0009","36.9964","0.0009","105.095","0.0011","92.9723","0.0011","102.321","0.0014","27690.6","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Cu12(btc)4(OMe-bipy)12][ClO4]12","","- C180 H156 Cl3 Cu12 N24 O71 -","- C180 H156 Cl3 Cu12 N24 O71 -","- C720 H624 Cl12 Cu48 N96 O284 -","4","2","","Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D.","Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages","Chemical Communications","2019","","","","","10.1039/C9CC05002G","","","1.54178","CuKα","","0.2514","0.2025","","","0.5258","0.5821","","","","","","2.42","","","","has coordinates","217085","2020-10-21","18:00:00",""
"7123867","16.8814","0.0004","12.7921","0.0003","18.4683","0.0005","90","","116.297","0.002","90","","3575.46","0.17","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 As N3 Si -","- C39 H50 As N3 Si -","- C156 H200 As4 N12 Si4 -","4","1","","Chen, Xiao; Simler, Thomas; Yadav, Ravi; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Reaction of an arsinoamide with chloro tetrylenes: substitution and As‒N bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC04530A","","x-ray","0.71073","MoKα","","0.0612","0.0432","","","0.1126","0.1222","","","","","","1.014","","","","has coordinates","217086","2020-10-21","18:00:00",""
"7123868","13.0143","0.0007","18.0257","0.0007","19.1618","0.001","90","","107.787","0.004","90","","4280.3","0.4","210","","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 As2 Ge N2 -","- C48 H54 As2 Ge N2 -","- C192 H216 As8 Ge4 N8 -","4","0.5","","Chen, Xiao; Simler, Thomas; Yadav, Ravi; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Reaction of an arsinoamide with chloro tetrylenes: substitution and As‒N bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC04530A","","x-ray","0.71073","MoKα","","0.0629","0.0425","","","0.0986","0.1053","","","","","","0.996","","","","has coordinates","217086","2020-10-21","18:00:00",""
"7123869","9.1929","0.0005","12.0657","0.0007","16.2153","0.0009","91.416","0.005","91.029","0.004","93.834","0.004","1793.66","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H50 As Ge N3 -","- C39 H50 As Ge N3 -","- C78 H100 As2 Ge2 N6 -","2","1","","Chen, Xiao; Simler, Thomas; Yadav, Ravi; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Reaction of an arsinoamide with chloro tetrylenes: substitution and As‒N bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC04530A","","x-ray","0.71073","MoKα","","0.0541","0.0278","","","0.0555","0.0577","","","","","","0.879","","","","has coordinates","217086","2020-10-21","18:00:00",""
"7123870","12.3661","0.0012","8.542","0.0005","24.17","0.002","90","","98.891","0.007","90","","2522.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 As2 Cl2 Ge2 N2 -","- C48 H54 As2 Cl2 Ge2 N2 -","- C96 H108 As4 Cl4 Ge4 N4 -","2","0.5","","Chen, Xiao; Simler, Thomas; Yadav, Ravi; Gamer, Michael T.; Köppe, Ralf; Roesky, Peter W.","Reaction of an arsinoamide with chloro tetrylenes: substitution and As‒N bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC04530A","","","0.71073","MoKα","","0.1009","0.0515","","","0.1103","0.1291","","","","","","0.983","","","","has coordinates","217086","2020-10-21","18:00:00",""
"7123871","23.6571","0.0007","23.6571","0.0007","31.1834","0.0011","90","","90","","90","","17452.1","1","100","2","100","","","","","","","","","5","P 43","P 4cw","78","","","","- C160 H146 Cu4 N48 O33 -","- C160 H146 Cu4 N45 O24 -","- C640 H584 Cu16 N180 O96 -","4","1","","Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur","Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids","Chemical Communications","2019","","","","","10.1039/C9CC03316E","","","1.54178","CuKα","","0.1002","0.0752","","","0.2006","0.2343","","","","","","1.011","","","","has coordinates,has disorder","217087","2020-10-21","18:00:00",""
"7123872","11.7552","0.0004","13.695","0.0004","20.8774","0.0006","102.402","0.001","98.165","0.002","106.58","0.001","3070.98","0.17","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N8 O4 Si4 -","- C60 H68 N8 O4 Si4 -","- C120 H136 N16 O8 Si8 -","2","1","","Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur","Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids","Chemical Communications","2019","","","","","10.1039/C9CC03316E","","","1.54178","CuKα","","0.0616","0.0571","","","0.1572","0.164","","","","","","1.054","","","","has coordinates","217087","2020-10-21","18:00:00",""
"7123873","36.3689","0.0012","30.0761","0.0011","26.1089","0.0009","90","","131.776","0.002","90","","21297.9","1.4","100","2","99.99","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C188 H172 Cu4 F24 N40 O8 P4 -","- C188 H172 Cu4 F24 N40 O8 P4 -","- C752 H688 Cu16 F96 N160 O32 P16 -","4","1","","Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur","Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids","Chemical Communications","2019","","","","","10.1039/C9CC03316E","","","1.54178","CuKα","","0.0747","0.0671","","","0.188","0.1998","","","","","","1.033","","","","has coordinates","217087","2020-10-21","18:00:00",""
"7123874","24.6908","0.0016","12.2647","0.0006","15.4847","0.0008","90","","97.288","0.005","90","","4651.3","0.5","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 Cu2 N15 O14 -","- C42 H39 Cu2 N15 O14 -","- C168 H156 Cu8 N60 O56 -","4","1","","Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur","Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids","Chemical Communications","2019","","","","","10.1039/C9CC03316E","","","1.54178","CuKα","","0.1847","0.1298","","","0.2913","0.3186","","","","","","1.049","","","","has coordinates","217087","2020-10-21","18:00:00",""
"7123875","11.0749","0.0004","11.173","0.0003","11.5235","0.0003","75.066","0.002","72.107","0.003","73.39","0.003","1277.56","0.07","179.97","0.1","179.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Cl Cr P -","- C26 H40 Cl Cr P -","- C52 H80 Cl2 Cr2 P2 -","2","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0489","0.0443","","","0.1196","0.1225","","","","","","1.0321","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123876","11.6433","0.0002","14.5073","0.0004","15.3365","0.0004","66.709","0.002","70.729","0.002","85.951","0.002","2240.74","0.1","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H57 Cr N O P -","- C49 H57 Cr N O P -","- C98 H114 Cr2 N2 O2 P2 -","2","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0605","0.0524","","","0.1637","0.1718","","","","","","1.084","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123877","20.2829","0.0004","9.1944","0.0002","16.1826","0.0003","90","","99.695","0.002","90","","2974.78","0.1","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl Cr P -","- C32 H48 Cl Cr P -","- C128 H192 Cl4 Cr4 P4 -","4","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0305","0.0277","","","0.0745","0.0762","","","","","","1.03","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123878","17.7239","0.0004","21.5839","0.0005","17.9159","0.0004","90","","94.801","0.002","90","","6829.7","0.3","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H94 Cr2 N2 P2 Si -","- C76 H94 Cr2 N2 P2 Si -","- C304 H376 Cr8 N8 P8 Si4 -","4","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.047","0.0383","","","0.1007","0.1079","","","","","","1.031","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123879","8.9809","0.0003","19.7635","0.0006","20.917","0.0007","102.713","0.003","97.631","0.003","101.586","0.003","3486.4","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 Cr P -","- C40 H48 Cr P -","- C160 H192 Cr4 P4 -","4","2","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0516","0.0388","","","0.0943","0.099","","","","","","1.043","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123880","10.4291","0.0003","12.2337","0.0003","13.0486","0.0005","65.497","0.003","71.852","0.003","73.717","0.003","1417.35","0.09","179.98","0.1","179.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Cl Cr P -","- C32 H36 Cl Cr P -","- C64 H72 Cl2 Cr2 P2 -","2","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0337","0.0293","","","0.0781","0.0805","","","","","","1.056","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123881","11.3491","0.0004","11.6086","0.0004","17.2859","0.0006","96.567","0.003","98.37","0.003","115.198","0.003","1998.77","0.14","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H53 Cr N2 P -","- C47 H53 Cr N2 P -","- C94 H106 Cr2 N4 P2 -","2","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.046","0.0405","","","0.1114","0.1149","","","","","","1.071","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123882","21.0786","0.0004","24.3001","0.0005","21.1776","0.0004","90","","91.44","0.002","90","","10844","0.4","179.98","0.11","179.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H160 K4 P4 -","- C104 H160 K4 P4 -","- C416 H640 K16 P16 -","4","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0873","0.0769","","","0.1929","0.2023","","","","","","1.039","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123883","17.9093","0.0006","18.1403","0.0008","20.5737","0.0007","113.944","0.004","100.357","0.003","108.053","0.003","5437.1","0.5","89.9","0.5","89.9","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C128 H144 K4 P4 -","- C128 H144 K4 P4 -","- C256 H288 K8 P8 -","2","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.1156","0.0746","","","0.1738","0.1926","","","","","","1.029","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123884","26.5505","0.0005","17.7159","0.0002","41.6344","0.0005","90","","92.826","0.002","90","","19559.6","0.5","179.99","0.1","179.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C96 H108 Cr3 N6 P3 -","- C96 H108 Cr3 N6 P3 -","- C768 H864 Cr24 N48 P24 -","8","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.093","0.0664","","","0.1904","0.209","","","","","","1.043","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123885","11.0838","0.0003","13.0546","0.0003","18.0075","0.0004","95.386","0.002","98.078","0.002","95.76","0.002","2551.25","0.11","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H80 Cr2 N4 P2 -","- C52 H80 Cr2 N4 P2 -","- C104 H160 Cr4 N8 P4 -","2","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.0388","0.0313","","","0.0764","0.0793","","","","","","1.018","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123886","13.1597","0.0002","17.593","0.0002","22.3163","0.0003","90","","95.103","0.001","90","","5146.16","0.12","295","0.1","295","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H62 Cl4 N20 O16 Pd -","- C40 H62 Cl4 N20 O16 Pd -","- C160 H248 Cl16 N80 O64 Pd4 -","4","0.5","","Chen, Ruru; Cao, Minna; Yang, Weiguang; Wang, Huimin; Zhang, Suyuan; Li, Hongfang; Cao, Rong","Ultra-small Pd Nanoparticles Derived from Supramolecular Assembly for Enhanced Electrochemical Reduction of CO2 to CO","Chemical Communications","2019","","","","","10.1039/C9CC02393C","","x-ray","1.54184","CuKα","","0.0503","0.0474","","","0.1452","0.1485","","","","","","1.07","","","","has coordinates","217176","2020-10-21","18:00:00",""
"7123887","26.81","0.005","26.916","0.005","28.097","0.006","90","0.03","111.31","0.03","90","0.03","18889","7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C192 H302 Al4 N14 Na2 O9 -","- C192 H294 Al4 N14 Na2 O9 -","- C768 H1176 Al16 N56 Na8 O36 -","4","0.5","","Chen, Weixing; Zhao, Yanxia; Xu, Wenhua; Su, Ji-Hu; Shen, Lingyi; Liu, Li; Wu, Biao; Yang, Xiao-Juan","Reductive linear- and cyclo-trimerization of isocyanides using an Al‒Al-bonded compound","Chemical Communications","2019","","","","","10.1039/C9CC04344F","","","0.71073","MoKα","","0.1686","0.1013","","","0.2179","0.2531","","","","","","1.177","","","","has coordinates","217177","2020-10-21","18:00:00",""
"7123888","15.6041","0.0009","18.0836","0.0011","18.4143","0.0012","76.535","0.002","71.288","0.002","85.598","0.002","4786.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H155 Al2 N7 Na O5 -","- C98 H152 Al2 N7 Na O5 -","- C196 H304 Al4 N14 Na2 O10 -","2","1","","Chen, Weixing; Zhao, Yanxia; Xu, Wenhua; Su, Ji-Hu; Shen, Lingyi; Liu, Li; Wu, Biao; Yang, Xiao-Juan","Reductive linear- and cyclo-trimerization of isocyanides using an Al‒Al-bonded compound","Chemical Communications","2019","","","","","10.1039/C9CC04344F","","","0.71073","MoKα","","0.1552","0.1","","","0.2081","0.2376","","","","","","1.022","","","","has coordinates","217177","2020-10-21","18:00:00",""
"7123889","10.966","0.003","16.053","0.004","18.226","0.004","90","","97.379","0.003","90","","3181.9","1.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H98 Al2 N6 -","- C66 H98 Al2 N6 -","- C132 H196 Al4 N12 -","2","0.5","","Chen, Weixing; Zhao, Yanxia; Xu, Wenhua; Su, Ji-Hu; Shen, Lingyi; Liu, Li; Wu, Biao; Yang, Xiao-Juan","Reductive linear- and cyclo-trimerization of isocyanides using an Al‒Al-bonded compound","Chemical Communications","2019","","","","","10.1039/C9CC04344F","","","0.71073","MoKα","","0.1299","0.083","","","0.2053","0.2209","","","","","","1.038","","","","has coordinates","217177","2020-10-21","18:00:00",""
"7123890","17.844","0.009","26.227","0.014","20.493","0.013","90","","108.599","0.016","90","","9090","9","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H131 Al2 N8 Na O3 -","- C80 H115 Al2 N8 Na O2 -","- C320 H460 Al8 N32 Na4 O8 -","4","1","","Chen, Weixing; Zhao, Yanxia; Xu, Wenhua; Su, Ji-Hu; Shen, Lingyi; Liu, Li; Wu, Biao; Yang, Xiao-Juan","Reductive linear- and cyclo-trimerization of isocyanides using an Al‒Al-bonded compound","Chemical Communications","2019","","","","","10.1039/C9CC04344F","","","0.71073","MoKα","","0.1307","0.0619","","","0.1358","0.1626","","","","","","1.103","","","","has coordinates","217177","2020-10-21","18:00:00",""
"7123891","12.017","0.005","8.345","0.004","33.497","0.013","90","","94.968","0.014","90","","3347","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 B2 N2 O -","- C39 H48 B2 N2 O -","- C156 H192 B8 N8 O4 -","4","1","","Prieschl, Dominic; Dietz, Maximilian; Muessig, Jonas; Wagner, Katharina; Krummenacher, Ivo; Braunschweig, Holger","Pseudodiborenes: hydride-bridged diboranes(5) as two-electron reductants of chalcogens","Chemical Communications","2019","","","","","10.1039/C9CC04692E","","","0.71073","MoKα","","0.092","0.0535","","","0.1158","0.1295","","","","","","1.022","","","","has coordinates","217178","2020-10-21","18:00:00",""
"7123892","12.3083","0.0017","8.2219","0.0011","34.364","0.005","90","","93.549","0.008","90","","3470.9","0.8","103","","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 B2 N2 S -","- C39 H48 B2 N2 S -","- C156 H192 B8 N8 S4 -","4","1","","Prieschl, Dominic; Dietz, Maximilian; Muessig, Jonas; Wagner, Katharina; Krummenacher, Ivo; Braunschweig, Holger","Pseudodiborenes: hydride-bridged diboranes(5) as two-electron reductants of chalcogens","Chemical Communications","2019","","","","","10.1039/C9CC04692E","","","0.71073","MoKα","","0.0526","0.0497","","","0.1178","0.1195","","","","","","1.159","","","","has coordinates","217178","2020-10-21","18:00:00",""
"7123893","11.11866","0.00014","15.1374","0.0002","19.5596","0.0003","90","","97.9689","0.0014","90","","3260.24","0.08","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Al Li N O Sc -","- C34 H56 Al Li N O Sc -","- C136 H224 Al4 Li4 N4 O4 Sc4 -","4","1","","Martinez-Martinez, Antonio J.; Kennedy, Alan; Paprocki, Valerie; Fantuzzi, Felipe; Dewhurst, Rian David; O'Hara, Charles T.; Braunschweig, Holger; Mulvey, Robert E.","Selective Mono- and Dimetallation of a Group 3 Sandwich Complex","Chemical Communications","2019","","","","","10.1039/C9CC03825F","","","1.54184","CuKα","","0.0565","0.0463","","","0.1175","0.1266","","","","","","1.041","","","","has coordinates","217179","2020-10-21","18:00:00",""
"7123894","20.6285","0.0004","20.6285","0.0004","14.8136","0.0005","90","","90","","90","","6303.7","0.3","123","2","123","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C63.75 H116.5 Al2 Li2 N2 O2 Sc -","- C55 H99 Al2 Li2 N2 O2 Sc -","- C220 H396 Al8 Li8 N8 O8 Sc4 -","4","0.25","","Martinez-Martinez, Antonio J.; Kennedy, Alan; Paprocki, Valerie; Fantuzzi, Felipe; Dewhurst, Rian David; O'Hara, Charles T.; Braunschweig, Holger; Mulvey, Robert E.","Selective Mono- and Dimetallation of a Group 3 Sandwich Complex","Chemical Communications","2019","","","","","10.1039/C9CC03825F","","","1.54184","CuKα","","0.1164","0.09","","","0.2685","0.2919","","","","","","1.044","","","","has coordinates,has disorder","217179","2020-10-21","18:00:00",""
"7123895","9.8408","0.0014","7.601","0.0011","25.34","0.004","90","","92.827","0.002","90","","1893.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","","Shao, Baihao; Stankewitz, Nell; Morris, Jacob A.; Liptak, Matthew D.; Aprahamian, Ivan","White-Light Emission from a Structurally Simple Hydrazone","Chemical Communications","2019","","","","","10.1039/C9CC03912K","","","0.71073","MoKα","","0.0562","0.0429","","","0.1134","0.1246","","","","","","1.029","","","","has coordinates,has disorder","217198","2020-10-21","18:00:00",""
"7123896","8.189","0.0001","10.2031","0.0002","12.0424","0.0002","81.626","0.001","83.017","0.001","89.043","0.001","988.07","0.03","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","","Shao, Baihao; Stankewitz, Nell; Morris, Jacob A.; Liptak, Matthew D.; Aprahamian, Ivan","White-Light Emission from a Structurally Simple Hydrazone","Chemical Communications","2019","","","","","10.1039/C9CC03912K","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","217198","2020-10-21","18:00:00",""
"7123897","6.597","0.0013","7.435","0.0015","13.278","0.003","74.22","0.03","88.27","0.03","77.73","0.03","612.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 O10 S Zn0.5 -","- C7 H5 O10 S Zn0.5 -","- C14 H10 O20 S2 Zn -","2","1","","Hong, Chang Seop; Song, Jeong Hwa; Kim, Dae Won; Kang, Dong Won; Lee, Woo Ram","Humidity-triggered single-crystal-to-single-crystal structural transformations in a Zn(II) coordination polymer displaying unusual activation energy change in proton conductivity","Chemical Communications","2019","","","","","10.1039/C9CC04474D","","","0.85","synchrotron","","0.0546","0.0499","","","0.1519","0.1566","","","","","","1.096","","","","has coordinates","217217","2020-10-21","18:00:00",""
"7123898","6.52","0.006","7.123","0.006","14.542","0.013","92.562","0.008","96.661","0.008","102.857","0.008","652.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 O22 S2 Zn -","- C14 H10 O22 S2 Zn -","- C14 H10 O22 S2 Zn -","1","0.5","","Hong, Chang Seop; Song, Jeong Hwa; Kim, Dae Won; Kang, Dong Won; Lee, Woo Ram","Humidity-triggered single-crystal-to-single-crystal structural transformations in a Zn(II) coordination polymer displaying unusual activation energy change in proton conductivity","Chemical Communications","2019","","","","","10.1039/C9CC04474D","","","0.71073","MoKα","","0.0485","0.0437","","","0.1413","0.1479","","","","","","1.095","","","","has coordinates","217217","2020-10-21","18:00:00",""
"7123899","29.1076","0.001","5.2452","0.0002","20.7121","0.0008","90","","133.431","0.004","90","","2296.4","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O16 S2 Zn -","- C14 H10 O14 S2 Zn -","- C56 H40 O56 S8 Zn4 -","4","0.5","","Hong, Chang Seop; Song, Jeong Hwa; Kim, Dae Won; Kang, Dong Won; Lee, Woo Ram","Humidity-triggered single-crystal-to-single-crystal structural transformations in a Zn(II) coordination polymer displaying unusual activation energy change in proton conductivity","Chemical Communications","2019","","","","","10.1039/C9CC04474D","","","0.71073","MoKα","","0.0451","0.0374","","","0.1322","0.1373","","","","","","1.181","","","","has coordinates","217217","2020-10-21","18:00:00",""
"7123900","12.515","","13.74","","12.607","","90","","120.19","","90","","1873.81","","373","2","373.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H68 Br4 N16 O8 S4 -","- C68 H68 Br4 N16 O8 S4 -","- C68 H68 Br4 N16 O8 S4 -","1","0.5","","Ye, Long-Wu; Tan, Tong-De; Chen, Yang-Bo; Yang, Ming-Yang; Wang, Jia-Le; Su, Hao-Ze; Hong, Feng-Lin; Zhou, Jin-Mei","Stereoselective synthesis of 2,5-disubstituted pyrrolidines through gold-catalyzed anti-Markovnikov hydroamination-initiated tandem reactions","Chemical Communications","2019","","","","","10.1039/C9CC05295J","","","0.71073","MoKα","","0.1727","0.0729","","","0.1562","0.2339","","","","","","0.971","","","","has coordinates","217219","2020-10-21","18:00:00",""
"7123901","7.9231","0.0009","12.3032","0.0012","14.0647","0.0013","97.079","0.003","99.017","0.003","105.178","0.003","1287.3","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N4 O9 -","- C26 H26 N4 O9 -","- C52 H52 N8 O18 -","2","1","","Guan, Xiao-Yu; Tang, Min; Liu, Zhang-Qin; Hu, WenHao","Highly diastereoselective [5+1] annulation to 2,2,3-trisubstituted tetrahydroquinoxalines via intramolecular Mannich-type trapping of ammonium ylides","Chemical Communications","2019","","","","","10.1039/C9CC04890A","","","0.71073","MoKα","","0.1265","0.1088","","","0.3702","0.379","","","","","","1.053","","","","has coordinates","217243","2020-10-21","18:00:00",""
"7123902","18.1955","0.0006","13.3383","0.0005","18.5737","0.0007","90","","90","","90","","4507.8","0.3","100.15","","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Cl O5 P Si2 W -","- C15 H24 Cl O5 P Si2 W -","- C120 H192 Cl8 O40 P8 Si16 W8 -","8","1","","Khan, Arif; Junker, Philip; Schnakenburg, Gregor; Espinosa, Arturo; Streubel , R.","Competitive or sequential reaction of an electrophilic terminal phosphinidene metal(0) complex with allyl halides? [2+1]-Cycloaddition vs C-X bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC05328J","","","0.71073","MoKα","","0.0239","0.0217","","","0.0484","0.0492","","","","","","1.171","","","","has coordinates","217244","2020-10-21","18:00:00",""
"7123903","18.0162","0.0004","13.6552","0.0003","18.5562","0.0006","90","","90","","90","","4565.1","0.2","123.15","","123.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Br O5 P Si2 W -","- C15 H24 Br O5 P Si2 W -","- C120 H192 Br8 O40 P8 Si16 W8 -","8","1","","Khan, Arif; Junker, Philip; Schnakenburg, Gregor; Espinosa, Arturo; Streubel , R.","Competitive or sequential reaction of an electrophilic terminal phosphinidene metal(0) complex with allyl halides? [2+1]-Cycloaddition vs C-X bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC05328J","","","0.71073","MoKα","","0.0633","0.0393","","","0.0898","0.0973","","","","","","0.956","","","","has coordinates","217244","2020-10-21","18:00:00",""
"7123904","9.4372","0.0003","18.8621","0.0006","12.3957","0.0004","90","","94.0074","0.0018","90","","2201.11","0.12","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 F O5 P Si2 W -","- C15 H24 F O5 P Si2 W -","- C60 H96 F4 O20 P4 Si8 W4 -","4","1","","Khan, Arif; Junker, Philip; Schnakenburg, Gregor; Espinosa, Arturo; Streubel , R.","Competitive or sequential reaction of an electrophilic terminal phosphinidene metal(0) complex with allyl halides? [2+1]-Cycloaddition vs C-X bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC05328J","","","0.71073","MoKα","","0.0619","0.0567","","","0.1483","0.1529","","","","","","1.029","","","","has coordinates","217244","2020-10-21","18:00:00",""
"7123905","16.0399","0.001","33.65","0.003","19.5422","0.0014","90","","113.728","0.003","90","","9656.1","1.3","142","2","142","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H159 Ge2 Li O6 Si4 -","- C93 H159 Ge2 Li O6 Si4 -","- C372 H636 Ge8 Li4 O24 Si16 -","4","1","","Klemmer, Lukas; Huch, Volker; Jana, Anukul; Scheschkewitz, David","An Anionic Heterosiliconoid with two Germanium Vertices","Chemical Communications","2019","","","","","10.1039/C9CC04576G","","","0.71073","MoKα","","0.0966","0.0699","","","0.18","0.1956","","","","","","1.273","","","","has coordinates,has disorder","217245","2020-10-21","18:00:00",""
"7123906","38.5015","0.0014","25.0063","0.001","25.1216","0.0009","90","","119.264","0.002","90","","21099.8","1.4","152","2","152","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90.5 H137 Ge2 Li O2 Si4 -","- C90.5 H137 Ge2 Li O2 Si4 -","- C724 H1096 Ge16 Li8 O16 Si32 -","8","1","","Klemmer, Lukas; Huch, Volker; Jana, Anukul; Scheschkewitz, David","An Anionic Heterosiliconoid with two Germanium Vertices","Chemical Communications","2019","","","","","10.1039/C9CC04576G","","","0.71073","MoKα","","0.1206","0.0707","","","0.2086","0.2217","","","","","","1.732","","","","has coordinates,has disorder","217245","2020-10-21","18:00:00",""
"7123907","13.2948","0.0005","18.1431","0.001","20.1869","0.0009","109.695","0.005","98.506","0.004","100.557","0.004","4389.7","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H77 Cl6 N9 O10 -","- C85 H77 Cl6 N9 O10 -","- C170 H154 Cl12 N18 O20 -","2","1","","Merlet, Eric; Moreno, Kevin; Tron, Arnaud; McClenaghan, Nathan D.; Kauffmann, Brice; Ferrand, Yann; OLIVIER, Céline","Aromatic Oligoamide Foldamers as Versatile Scaffolds for Induced Circularly Polarized Luminescence at Adjustable Wavelengths","Chemical Communications","2019","","","","","10.1039/C9CC04697F","","x-ray","1.54184","CuKα","","0.1404","0.1084","","","0.3137","0.3534","","","","","","1.172","","","","has coordinates","217246","2020-10-21","18:00:00",""
"7123908","13.4624","0.0003","17.3266","0.0002","17.4125","0.0003","78.376","0.001","82.129","0.002","88.263","0.001","3940.8","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H78 Cl9 N9 O10 -","- C80 H78 Cl9 N9 O10 -","- C160 H156 Cl18 N18 O20 -","2","1","","Merlet, Eric; Moreno, Kevin; Tron, Arnaud; McClenaghan, Nathan D.; Kauffmann, Brice; Ferrand, Yann; OLIVIER, Céline","Aromatic Oligoamide Foldamers as Versatile Scaffolds for Induced Circularly Polarized Luminescence at Adjustable Wavelengths","Chemical Communications","2019","","","","","10.1039/C9CC04697F","","","1.54184","CuKα","","0.0791","0.078","","","0.2233","0.2247","","","","","","1.054","","","","has coordinates","217246","2020-10-21","18:00:00",""
"7123909","20.8027","0.0009","19.3411","0.0009","18.5062","0.0008","90","","106.428","0.002","90","","7141.9","0.6","120","2","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H78 B Dy N4 O4 P2 -","- C88 H78 B Dy N4 O4 P2 -","- C352 H312 B4 Dy4 N16 O16 P8 -","4","0.5","","Bala, Sukhen; Huang, Guo-Zhang; Ruan, Ze-Yu; Wu, Si-Guo; Liu, Yang; Wang, Long-Fei; Liu, Jun-Liang; Tong, Ming-Liang","A Square Antiprism Dysprosium Single-Ion Magnet with Energy Barrier over 900 K","Chemical Communications","2019","","","","","10.1039/C9CC05135J","","","0.71073","MoKα","","0.0654","0.0497","","","0.102","0.1106","","","","","","1.064","","","","has coordinates","217247","2020-10-21","18:00:00",""
"7123910","8.9789","0.0006","20.4612","0.0011","32.6305","0.0018","90","","90","","90","","5994.8","0.6","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C276 H240 O48 S12 -","12","3","","Xu, Xuemei; Qu, Lang; Song, Jintong; Wu, Dehua; Zhou, Xiangge; Xiang, Haifeng","Simple and visual approach for enantioselective recognition through supramolecular gels with specific selectivity","Chemical Communications","2019","","","","","10.1039/C9CC04895B","","","0.71073","MoKα","","0.1429","0.0758","","","0.1585","0.1921","","","","","","1","","","","has coordinates,has disorder","217248","2020-10-21","18:00:00",""
"7123911","6.0602","0.0016","9.3286","0.0002","12.8673","0.0003","95.127","0.002","93.49","0.002","92.402","0.002","722.35","0.19","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Br4 N5 Pb -","- C4 H11 Br4 N5 Pb -","- C8 H22 Br8 N10 Pb2 -","2","1","","Guo, Yuanyuan; McNulty, Jason A.; Mica, Natalie; Samuel, Ifor D. W.; Slawin, Alexandra; Buehl, Michael; Lightfoot, Philip","Structure-directing effects in (110)-layered hybrid perovskites containing two distinct organic moieties","Chemical Communications","2019","","","","","10.1039/C9CC04964A","","","0.71075","MoKα","","0.0264","0.0256","","","0.0717","0.072","","","","","","1.077","","","","has coordinates,has disorder","217258","2020-10-21","18:00:00",""
"7123912","6.003","0.002","26.969","0.009","8.613","0.003","90","","96.47","0.008","90","","1385.5","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Br4 N6 Pb -","- C3 H10 Br4 N6 Pb -","- C12 H40 Br16 N24 Pb4 -","4","1","","Guo, Yuanyuan; McNulty, Jason A.; Mica, Natalie; Samuel, Ifor D. W.; Slawin, Alexandra; Buehl, Michael; Lightfoot, Philip","Structure-directing effects in (110)-layered hybrid perovskites containing two distinct organic moieties","Chemical Communications","2019","","","","","10.1039/C9CC04964A","","","0.71075","MoKα","","0.0321","0.0291","","","0.0775","0.0782","","","","","","1.089","","","","has coordinates","217258","2020-10-21","18:00:00",""
"7123913","6.0734","0.0004","14","0.0009","8.5374","0.0005","90","","94.866","0.008","90","","723.3","0.08","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C3 H10 Br4 N6 Pb -","- C3 H10 Br4 N6 Pb -","- C6 H20 Br8 N12 Pb2 -","2","0.5","","Guo, Yuanyuan; McNulty, Jason A.; Mica, Natalie; Samuel, Ifor D. W.; Slawin, Alexandra; Buehl, Michael; Lightfoot, Philip","Structure-directing effects in (110)-layered hybrid perovskites containing two distinct organic moieties","Chemical Communications","2019","","","","","10.1039/C9CC04964A","","","0.71075","MoKα","","0.0318","0.0261","","","0.0604","0.0624","","","","","","1.037","","","","has coordinates","217258","2020-10-21","18:00:00",""
"7123914","6.1106","0.0004","9.2753","0.0005","13.0429","0.0009","93.474","0.009","92.726","0.009","91.258","0.008","736.82","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Br4 N5 Pb -","- C4 H11 Br4 N5 Pb -","- C8 H22 Br8 N10 Pb2 -","2","1","","Guo, Yuanyuan; McNulty, Jason A.; Mica, Natalie; Samuel, Ifor D. W.; Slawin, Alexandra; Buehl, Michael; Lightfoot, Philip","Structure-directing effects in (110)-layered hybrid perovskites containing two distinct organic moieties","Chemical Communications","2019","","","","","10.1039/C9CC04964A","","","0.71075","MoKα","","0.0654","0.0518","","","0.1197","0.1224","","","","","","0.926","","","","has coordinates,has disorder","217258","2020-10-21","18:00:00",""
"7123915","15.601","0.003","8.8913","0.0017","20.126","0.004","90","","108.802","0.018","90","","2642.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N O3 S -","- C29 H29 N O3 S -","- C116 H116 N4 O12 S4 -","4","1","","Parodi, Adriano; Battaglioli, Simone; Liu, Yang; Monari, Magda; Marín-Luna, Marta; Silva-López, Carlos; Bandini, Marco","Scandium catalysed stereoselective thio-allylation of allenyl-imidates","Chemical Communications","2019","","","","","10.1039/C9CC04302K","","","0.71073","MoKα","","0.267","0.1178","","","0.2514","0.3219","","","","","","1.015","","","","has coordinates,has disorder","217259","2020-10-21","18:00:00",""
"7123916","9.771","0.002","9.83","0.005","11.268","0.003","112.31","0.03","98.03","0.02","110.42","0.02","890.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O2 S -","- C20 H22 O2 S -","- C40 H44 O4 S2 -","2","1","","Parodi, Adriano; Battaglioli, Simone; Liu, Yang; Monari, Magda; Marín-Luna, Marta; Silva-López, Carlos; Bandini, Marco","Scandium catalysed stereoselective thio-allylation of allenyl-imidates","Chemical Communications","2019","","","","","10.1039/C9CC04302K","","","0.71073","MoKα","","0.0565","0.05","","","0.1271","0.1318","","","","","","1.028","","","","has coordinates,has disorder","217259","2020-10-21","18:00:00",""
"7123917","23.8167","0.0014","23.8167","0.0014","57.132","0.004","90","","90","","90","","32407","4","200","","200","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C150 H156 N6 O146 Re6 Se8 -","- C150 H156 N6 O144 Re6 Se8 -","- C600 H624 N24 O576 Re24 Se32 -","4","0.25","","Ivanov, Anton A.; Falaise, Clément; Landy, David; Haouas, Mohamed; Mironov, Yuri V.; Shestopalov, Michael A.; Cadot, Emmanuel","Tuning the chaotropic effect as an assembly motif through one-electron transfer in rhenium cluster","Chemical Communications","2019","","","","","10.1039/C9CC05136H","","","0.71073","MoKα","","0.0676","0.0497","","","0.1498","0.1657","","","","","","1.085","","","","has coordinates","217260","2020-10-21","18:00:00",""
"7123918","35.247","0.004","35.747","0.004","17.7344","0.0017","90","","90","","90","","22345","4","200","","200","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C111 H109 K2.5 N15 O80 Re15 Se20 -","- C111 H109 K2.5 N15 O80 Re15 Se20 -","- C444 H436 K10 N60 O320 Re60 Se80 -","4","1","","Ivanov, Anton A.; Falaise, Clément; Landy, David; Haouas, Mohamed; Mironov, Yuri V.; Shestopalov, Michael A.; Cadot, Emmanuel","Tuning the chaotropic effect as an assembly motif through one-electron transfer in rhenium cluster","Chemical Communications","2019","","","","","10.1039/C9CC05136H","","","0.71073","MoKα","","0.1377","0.0819","","","0.1885","0.2308","","","","","","1.034","","","","has coordinates,has disorder","217260","2020-10-21","18:00:00",""
"7123919","8.463","0.003","23.161","0.008","9.168","0.003","90","","104.664","0.007","90","","1738.5","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl N4 -","- C20 H21 Cl N4 -","- C80 H84 Cl4 N16 -","4","1","","Carreira-Barral, Israel; Rumbo, Carlos; mielczarek, Marcin; Alonso-Carrillo, Daniel; Herran, Enara; Pastor, Marta; del Pozo, Angel; Garcia-Valverde, Maria; Quesada, Roberto","Small molecule anion transporters display in vitro antimicrobial activity against clinically relevant bacterial strains","Chemical Communications","2019","","","","","10.1039/C9CC04304G","","","0.71073","MoKα","","0.115","0.0543","","","0.096","0.1086","","","","","","0.874","","","","has coordinates","217288","2020-10-21","18:00:00",""
"7123920","15.3692","0.0006","18.417","0.0008","19.6974","0.0008","86.953","0.001","89.99","0.001","86.422","0.001","5556.7","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 N4 O Si2 Zn -","- C52 H68 N4 O Si2 Zn -","- C208 H272 N16 O4 Si8 Zn4 -","4","2","","Gong, Yanmei; Ma, Haiyan","High Performance Benzoimidazolyl-Based Aminophenolate Zinc Complexes for Isoselective Polymerization of rac-Lactide","Chemical Communications","2019","","","","","10.1039/C9CC04834K","","","0.71073","MoKα","","0.0537","0.0417","","","0.108","0.1148","","","","","","1.013","","","","has coordinates","217289","2020-10-21","18:00:00",""
"7123921","10.7825","0.0001","41.7789","0.0006","11.4854","0.0002","90","","114.138","0.001","90","","4721.56","0.12","170","2","169.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 N4 O Si2 Zn -","- C48 H60 N4 O Si2 Zn -","- C192 H240 N16 O4 Si8 Zn4 -","4","1","","Gong, Yanmei; Ma, Haiyan","High Performance Benzoimidazolyl-Based Aminophenolate Zinc Complexes for Isoselective Polymerization of rac-Lactide","Chemical Communications","2019","","","","","10.1039/C9CC04834K","","","1.34139","GaKα","","0.0772","0.0608","","","0.1395","0.1519","","","","","","1.024","","","","has coordinates,has disorder","217289","2020-10-21","18:00:00",""
"7123922","10.6336","0.0007","10.6336","0.0007","8.1342","0.0005","90","","90","","120","","796.54","0.09","483","2","483","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H9 I3 N2 Pb -","- C6.4998 H7.4994 I3 N2 Pb -","- C12.9996 H14.9988 I6 N4 Pb2 -","2","0.0833333","","Liu, Yu-Ling; Lu, Si-Qi; Tang, Yuan-Yuan; Chen, Xiao-Gang; Gao, Ji-Xing; Li, Hao-Jie; Xiong, Ren-Gen","Fluorination observed Tc increase of 110 K is challenging hydrogen-deuterium isotope effect","Chemical Communications","2019","","","","","10.1039/C9CC04658E","","","0.71073","MoKα","","0.069","0.0406","","","0.1292","0.1464","","","","","","1.064","","","","has coordinates,has disorder","217290","2020-10-21","18:00:00",""
"7123923","17.4558","0.0005","8.0494","0.0002","21.4892","0.0005","90","","90","","90","","3019.42","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 F I3 N2 Pb -","- C7 H14 F I3 N2 Pb -","- C56 H112 F8 I24 N16 Pb8 -","8","1","","Liu, Yu-Ling; Lu, Si-Qi; Tang, Yuan-Yuan; Chen, Xiao-Gang; Gao, Ji-Xing; Li, Hao-Jie; Xiong, Ren-Gen","Fluorination observed Tc increase of 110 K is challenging hydrogen-deuterium isotope effect","Chemical Communications","2019","","","","","10.1039/C9CC04658E","","","0.71073","MoKα","","0.0391","0.0286","","","0.0624","0.0647","","","","","","1.069","","","","has coordinates","217290","2020-10-21","18:00:00",""
"7123924","4.91505","0.00014","11.66385","0.00019","15.5627","0.0005","95.2473","0.0011","90.6137","0.0015","92.843","0.002","887.25","0.04","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C32 H36 N8 O14 -","2","1","","Kulla, Hannes; Michalchuk, Adam A. L.; Emmerling, Franziska","Manipulating the dynamics of mechanochemical ternary cocrystal formation","Chemical Communications","2019","","","","","10.1039/C9CC03034D","powder diffraction","x-ray","0.7082","Synchrotron","","","","","","","","","1","1.45864","","","","","","","has coordinates","217309","2020-10-21","18:00:00",""
"7123925","22.9747","0.0007","10.9249","0.0003","7.06559","0.00018","90","","90","","90","","1773.44","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C64 H76 N20 O24 -","4","1","","Kulla, Hannes; Michalchuk, Adam A. L.; Emmerling, Franziska","Manipulating the dynamics of mechanochemical ternary cocrystal formation","Chemical Communications","2019","","","","","10.1039/C9CC03034D","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","1","5.27276","","","","","","","has coordinates","217309","2020-10-21","18:00:00",""
"7123926","9.6944","0.0001","8.7306","0.0001","16.4787","0.0002","90","","94.1674","0.0008","90","","1391.04","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-((butylimino)methylene)bis(pyrrolidine-2,5-dione)","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","1","","An, Taeyang; Kang, Byeongwoo; Kang, Sunyoung; Pac, Jinyoung; Youk, Jihea; Lin, Dian; Lee, Yan","Guanidine cyclic diimides and their polymers","Chemical Communications","2019","","","","","10.1039/C9CC04522H","","","0.71073","MoKα","","0.065","0.0525","","","0.1386","0.1472","","","","","","1.034","","","","has coordinates","217310","2020-10-21","18:00:00",""
"7123927","8.527","0.002","18.127","0.004","18.859","0.002","62.96","0.02","78.65","0.03","81.27","0.03","2539.1","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H51.34 Cl0.93 N2.34 S2 -","- C63.9996 H51.3459 Cl0.921 N2.3463 S2 -","- C127.999 H102.692 Cl1.842 N4.6926 S4 -","2","1","","Maeda, Chihiro; Tanaka, Yumi; Shirakawa, Takuma; Ema, Tadashi","Synthesis and electronic properties of π-expanded carbazole-based porphyrins","Chemical Communications","2019","","","","","10.1039/C9CC05079E","","","1.54187","CuKα","","0.1081","0.0625","","","0.1655","0.1892","","","","","","1.091","","","","has coordinates,has disorder","217333","2020-10-21","18:00:00",""
"7123928","6.04519","0.00013","20.936","0.0004","18.0511","0.0004","90","","98.534","0.002","90","","2259.29","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Br O6 -","- C22 H25 Br O6 -","- C88 H100 Br4 O24 -","4","1","","Gan, Zhenjie; Gong, Yanchuan; Chu, Yunpeng; Li, Erqing; Huang, You; duan, zheng","Phosphine-Catalyzed Regiodivergent Annulations of γ-Substituted Allenoates with Conjugated Dienes","Chemical Communications","2019","","","","","10.1039/C9CC05207K","","x-ray","1.54184","CuKα","","0.0708","0.0588","","","0.1584","0.1732","","","","","","1.032","","","","has coordinates,has disorder","217334","2020-10-21","18:00:00",""
"7123929","10.3351","0.0002","28.7236","0.0004","10.46","0.0002","90","","107.87","0.002","90","","2955.36","0.1","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 F N3 O3 S -","- C35 H33 F N3 O3 S -","- C140 H132 F4 N12 O12 S4 -","4","1","","Huang, You; Zhu, Yannan; Jin, Hongxing","DABCO-mediated [3 + 3] annulation of para -quinamines: access to functionalized 1,2,4-triazinone derivatives","Chemical Communications","2019","","","","","10.1039/C9CC05276C","","","1.54184","CuKα","","0.0678","0.0618","","","0.1765","0.1821","","","","","","1.05","","","","has coordinates","217335","2020-10-21","18:00:00",""
"7123930","16.3935","0.0002","23.8317","0.0003","24.0155","0.0003","112.68","0.0013","108.281","0.0012","99.7127","0.0012","7757.8","0.2","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C212 H292 Ag66 Mo9 O74 S28 -","- C212 H292 Ag66 Mo9 O74 S28 -","- C212 H292 Ag66 Mo9 O74 S28 -","1","0.5","","wang , zhi; Yang, Feng-Lei; Yang, Yang; Liu, Qingyun; Sun, Di","Hierarchical Multi-Shell 66-Nuclei Silver Nanoclusters Trapping Subvalent Ag6 Kernels","Chemical Communications","2019","","","","","10.1039/C9CC05044B","","x-ray","0.71073","MoKα","","0.078","0.0601","","","0.1211","0.1286","","","","","","1.092","","","","has coordinates,has disorder","217350","2020-10-21","18:00:00",""
"7123931","19.78","0.002","21.915","0.003","33.362","0.004","90","","90","","90","","14462","3","100","2","100.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C120 H260 Ag66 Mo9 O72 S28 -","- C120 H260 Ag66 Mo9 O72 S28 -","- C240 H520 Ag132 Mo18 O144 S56 -","2","0.25","","wang , zhi; Yang, Feng-Lei; Yang, Yang; Liu, Qingyun; Sun, Di","Hierarchical Multi-Shell 66-Nuclei Silver Nanoclusters Trapping Subvalent Ag6 Kernels","Chemical Communications","2019","","","","","10.1039/C9CC05044B","","","0.71073","MoKα","","0.1544","0.1224","","","0.3605","0.4347","","","","","","1.867","","","","has coordinates,has disorder","217350","2020-10-21","18:00:00",""
"7123932","17.8507","0.0015","46.314","0.004","44.484","0.004","90","","99.76","0.002","90","","36244","5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C234.5 H339.5 Ag66 Mo9 O71 S28 -","- C234.5 H339.5 Ag66.003 Mo9 O71 S28 -","- C938 H1358 Ag264.012 Mo36 O284 S112 -","4","1","","wang , zhi; Yang, Feng-Lei; Yang, Yang; Liu, Qingyun; Sun, Di","Hierarchical Multi-Shell 66-Nuclei Silver Nanoclusters Trapping Subvalent Ag6 Kernels","Chemical Communications","2019","","","","","10.1039/C9CC05044B","","","0.71073","MoKα","","0.1338","0.0836","","","0.1957","0.2306","","","","","","1.03","","","","has coordinates,has disorder","217350","2020-10-21","18:00:00",""
"7123933","9.72","0.0019","17.845","0.002","7.733","0.0011","90","","110.22","0.02","90","","1258.7","0.4","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Zhou, Yao; Wang, Ya; Lou, Yixian; Song, Qiuling","Facile Synthesis of 1,2-Thiobenzonitriles via Cu-Catalyzed Denitrogenative Radical Coupling Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05099J","","x-ray","0.71073","MoKα","","0.0796","0.044","","","0.1233","0.1539","","","","","","0.902","","","","has coordinates","217351","2020-10-21","18:00:00",""
"7123934","7.2127","0.0008","13.046","0.0012","11.9273","0.0015","90","","99.535","0.01","90","","1106.8","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O S -","- C14 H9 N O S -","- C56 H36 N4 O4 S4 -","4","1","","Zhou, Yao; Wang, Ya; Lou, Yixian; Song, Qiuling","Facile Synthesis of 1,2-Thiobenzonitriles via Cu-Catalyzed Denitrogenative Radical Coupling Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05099J","","x-ray","0.71073","MoKα","","0.0868","0.0499","","","0.1214","0.1443","","","","","","0.8443","","","","has coordinates","217351","2020-10-21","18:00:00",""
"7123935","14.097","0.0003","16.7228","0.0004","17.7335","0.0004","104.066","0.001","102.058","0.001","108.956","0.001","3641.58","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H58 Pb -","- C41 H58 Pb -","- C164 H232 Pb4 -","4","2","","Wesemann, Lars; Weiß, Sebastian; Schubert, Hartmut","Low valent lead hydride chemistry: hydroplumbylation of phenylacetylene and 1,1-dimethylallene","Chemical Communications","2019","","","","","10.1039/C9CC05431F","","","0.71073","MoKα","","0.0551","0.0389","","","0.0984","0.1072","","","","","","1.067","","","","has coordinates,has disorder","217352","2020-10-21","18:00:00",""
"7123936","10.764","0.0002","13.1364","0.0002","14.7038","0.0003","87.214","0.001","89.763","0.001","66.567","0.001","1905.13","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 Pb -","- C44 H56 Pb -","- C88 H112 Pb2 -","2","1","","Wesemann, Lars; Weiß, Sebastian; Schubert, Hartmut","Low valent lead hydride chemistry: hydroplumbylation of phenylacetylene and 1,1-dimethylallene","Chemical Communications","2019","","","","","10.1039/C9CC05431F","","","0.71073","MoKα","","0.0293","0.0231","","","0.0484","0.0497","","","","","","1.116","","","","has coordinates","217352","2020-10-21","18:00:00",""
"7123937","7.4242","0.0002","10.8667","0.0003","21.4824","0.0005","90","","90","","90","","1733.13","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H7 B F10 -","- C21 H7 B F10 -","- C84 H28 B4 F40 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","1.54178","CuKα","","0.0248","0.0235","","","0.0573","0.0579","","","","","","1.048","","","","has coordinates","217353","2020-10-21","18:00:00",""
"7123938","27.821","0.002","7.5444","0.0006","20.4229","0.0016","90","","90","","90","","4286.6","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H11 B F10 -","- C27 H11 B F10 -","- C216 H88 B8 F80 -","8","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","1.54178","CuKα","","0.0483","0.0359","","","0.082","0.0877","","","","","","1.034","","","","has coordinates","217353","2020-10-21","18:00:00",""
"7123939","7.3604","0.0004","11.9863","0.0007","21.4524","0.0013","90","","90","","90","","1892.62","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H9 B F10 -","- C22 H9 B F10 -","- C88 H36 B4 F40 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","0.71073","MoKα","","0.0763","0.0589","","","0.1038","0.1095","","","","","","1.16","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7123940","18.2599","0.0007","26.5169","0.0009","13.8464","0.0004","90","","95.162","0.001","90","","6677.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H24 B3 F30 N3 -","- C66 H24 B3 F30 N3 -","- C264 H96 B12 F120 N12 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","0.71073","MoKα","","0.1889","0.1224","","","0.2223","0.2599","","","","","","1.151","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7123941","16.302","0.0004","31.6317","0.0011","6.8859","0.0003","90","","104.037","0.001","90","","3444.8","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H10 B2 F20 -","- C39 H10 B2 F20 -","- C156 H40 B8 F80 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","0.71073","MoKα","","0.1235","0.081","","","0.1371","0.1623","","","","","","1.145","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7123942","7.4593","0.0003","10.9446","0.0004","21.4005","0.001","90","","90","","90","","1747.12","0.13","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H6 B F11 -","- C21 H6 B F11 -","- C84 H24 B4 F44 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","1.54178","CuKα","","0.0832","0.0668","","","0.1382","0.1458","","","","","","1.16","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7123943","10.64","0.002","12.64","0.003","19.979","0.004","90","","92.91","0.03","90","","2683.5","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Ga N2 -","- C27 H41 Ga N2 -","- C108 H164 Ga4 N8 -","4","1","","Queen, Joshua Douglas; Fettinger, James C.; Power, Philip P.","Two Quasi-Stable Lead(II) Hydrides at Ambient Temperature","Chemical Communications","2019","","","","","10.1039/C9CC05106F","","","0.71073","MoKα","","0.0511","0.0408","","","0.0828","0.0862","","","","","","1.156","","","","has coordinates,has disorder","217368","2020-10-21","18:00:00",""
"7123944","11.9074","0.0015","13.278","0.0017","13.7294","0.0018","110.82","0.0014","103.353","0.0016","102.287","0.0015","1867.4","0.4","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H108 Pb2 -","- C88 H108 Pb2 -","- C88 H108 Pb2 -","1","0.5","","Queen, Joshua Douglas; Fettinger, James C.; Power, Philip P.","Two Quasi-Stable Lead(II) Hydrides at Ambient Temperature","Chemical Communications","2019","","","","","10.1039/C9CC05106F","","","0.71073","MoKα","","0.0149","0.0139","","","0.0338","0.0341","","","","","","1.058","","","","has coordinates,has disorder","217368","2020-10-21","18:00:00",""
"7123945","17.991","0.0006","18.7343","0.0007","10.2558","0.0004","90","","90","","90","","3456.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H50.5 N6 O11.25 -","- C30 H50.5 N6 O11.25 -","- C120 H202 N24 O45 -","4","1","","Yamaguchi, Akitake; Kaldas, Sherif J.; Appavoo, Solomon D.; Diaz, Diego B.; Yudin, Andrei K.","Conformationally Stable Peptide Macrocycles Assembled Using the Petasis Borono-Mannich Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05934B","","","1.54178","CuKα","","0.0317","0.0314","","","0.0813","0.0816","","","","","","1.06","","","","has coordinates,has disorder","217369","2020-10-21","18:00:00",""
"7123946","10.9028","0.0004","15.6844","0.0006","21.5392","0.0008","100.208","0.003","91.64","0.003","96.981","0.003","3593.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H86 Cl8 Ga N4 P2 -","- C70 H86 Cl8 Ga N4 P2 -","- C140 H172 Cl16 Ga2 N8 P4 -","2","1","","Ghadwal, Rajendra S.; Sharma, Mahendra Kumar; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg; Hinz, Alexander; van Gastel, Maurice","Diphosphene radical cations and dications with a π-conjugated C2P2C2-framework","Chemical Communications","2019","","","","","10.1039/C9CC04701H","","x-ray","0.71073","MoKα","","0.0838","0.0476","","","0.0961","0.1103","","","","","","1.021","","","","has coordinates,has disorder","217402","2020-10-21","18:00:00",""
"7123947","14.5173","0.0002","15.6525","0.0002","19.9706","0.0002","90","","90.582","0.001","90","","4537.73","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 Cl20 Ga2 N4 P2 -","- C74 H94 Cl20 Ga2 N4 P2 -","- C148 H188 Cl40 Ga4 N8 P4 -","2","0.5","","Ghadwal, Rajendra S.; Sharma, Mahendra Kumar; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg; Hinz, Alexander; van Gastel, Maurice","Diphosphene radical cations and dications with a π-conjugated C2P2C2-framework","Chemical Communications","2019","","","","","10.1039/C9CC04701H","","x-ray","1.54184","CuKα","","0.0526","0.0478","","","0.1288","0.1326","","","","","","1.058","","","","has coordinates,has disorder","217402","2020-10-21","18:00:00",""
"7123948","12.5647","0.0003","15.8474","0.0003","20.4584","0.0003","78.6124","0.0014","83.7585","0.0015","76.4065","0.0016","3873.26","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H108 Cl4 Ga N4 O P2 -","- C72 H94 Cl3.9996 Ga0.9999 N4 O P2 -","- C144 H188 Cl7.9992 Ga1.9998 N8 O2 P4 -","2","1","","Ghadwal, Rajendra S.; Sharma, Mahendra Kumar; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg; Hinz, Alexander; van Gastel, Maurice","Diphosphene radical cations and dications with a π-conjugated C2P2C2-framework","Chemical Communications","2019","","","","","10.1039/C9CC04701H","","x-ray","0.71073","MoKα","","0.073","0.0491","","","0.1274","0.1398","","","","","","1.036","","","","has coordinates,has disorder","217402","2020-10-21","18:00:00",""
"7123949","11.8864","0.0002","11.9049","0.00019","18.32387","0.00016","96.2059","0.001","97.9083","0.0011","115.602","0.0016","2275","0.07","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H92 N9 O8 Rh4 S4 -","- C100 H92 N9 O8 Rh4 S4 -","- C100 H92 N9 O8 Rh4 S4 -","1","0.5","","Rej, Supriya; Chatani, Naoto","Rhodium(I)-Catalyzed Mono-Selective C‒H Alkylation of Benzenesulfonamides with Terminal Alkenes","Chemical Communications","2019","","","","","10.1039/C9CC05219D","","","1.54187","CuKα","","0.0576","0.0558","","","0.1564","0.1582","","","","","","1.039","","","","has coordinates","217403","2020-10-21","18:00:00",""
"7123950","22.9","0.005","24.86","0.005","38.8","0.008","90","","90","","90","","22089","8","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C144 H108 B8 Co4 F32 N24 O12 P4 S4 -","- C144 H108 B8 Co4 F32 N24 O12 P4 S4 -","- C576 H432 B32 Co16 F128 N96 O48 P16 S16 -","4","1","","Butler, Patrick; Kruger, Paul; Ward, Jas S.","Self-assembly of M4L4 Tetrahedral Cages Incorporating Pendant P=S and P=Se Functionalised Ligands","Chemical Communications","2019","","","","","10.1039/C9CC05443J","","","0.7108","Synchrotron","","0.1411","0.1009","","","0.2807","0.3107","","","","","","1.133","","","","has coordinates","217437","2020-10-21","18:00:00",""
"7123951","9.8993","0.0007","10.0421","0.0007","10.7965","0.0008","77.237","0.006","78.194","0.006","66.81","0.007","953.87","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N3 O3 P Se -","- C18 H18 N3 O3 P Se -","- C36 H36 N6 O6 P2 Se2 -","2","1","","Butler, Patrick; Kruger, Paul; Ward, Jas S.","Self-assembly of M4L4 Tetrahedral Cages Incorporating Pendant P=S and P=Se Functionalised Ligands","Chemical Communications","2019","","","","","10.1039/C9CC05443J","","x-ray","1.54184","CuKα","","0.0414","0.0388","","","0.1063","0.1092","","","","","","1.036","","","","has coordinates","217437","2020-10-21","18:00:00",""
"7123952","9.7504","0.0005","10.5449","0.0003","19.957","0.0007","91.015","0.003","92.969","0.004","98.585","0.004","2025.53","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N3 P S4 -","- C18 H18 N3 P S4 -","- C72 H72 N12 P4 S16 -","4","2","","Butler, Patrick; Kruger, Paul; Ward, Jas S.","Self-assembly of M4L4 Tetrahedral Cages Incorporating Pendant P=S and P=Se Functionalised Ligands","Chemical Communications","2019","","","","","10.1039/C9CC05443J","","x-ray","1.54184","CuKα","","0.1044","0.0894","","","0.2449","0.2565","","","","","","1.119","","","","has coordinates","217437","2020-10-21","18:00:00",""
"7123953","41.505","0.008","12.145","0.002","41.753","0.008","90","","117.41","0.03","90","","18684","8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C144 H108 B8 Co4 F32 N24 O12 P4 Se4 -","- C144 H108 B8 Co4 F32 N24 O12 P4 Se4 -","- C576 H432 B32 Co16 F128 N96 O48 P16 Se16 -","4","0.5","","Butler, Patrick; Kruger, Paul; Ward, Jas S.","Self-assembly of M4L4 Tetrahedral Cages Incorporating Pendant P=S and P=Se Functionalised Ligands","Chemical Communications","2019","","","","","10.1039/C9CC05443J","","","0.7108","Synchrotron","","0.127","0.0947","","","0.2495","0.2724","","","","","","1.037","","","","has coordinates,has disorder","217437","2020-10-21","18:00:00",""
"7123954","13.973","0.003","17.045","0.004","20.872","0.004","89.66","0.007","85.484","0.006","89.815","0.007","4955.5","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","220","","","- C87 H90 Cl6 N12 O14 -","- C87 H90 Cl6 N12 O14 -","- C174 H180 Cl12 N24 O28 -","2","1","","Atcher, Joan; Nagai, Aki; Mayer, Peter; Maurizot, Victor; Tanatani, Aya; Huc, Ivan","Aromatic β-sheet foldamers based on tertiary squaramides","Chemical Communications","2019","","","","","10.1039/C9CC04849A","","","0.71073","MoKα","","0.1826","0.0897","","","0.2309","0.2633","","","","","","0.938","","","","has coordinates,has disorder","217438","2020-10-21","18:00:00",""
"7123955","14.9049","0.0003","15.4511","0.0003","18.339","0.0004","86.407","0.002","68.494","0.002","84.33","0.002","3908.56","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C68.4 H73.4 Cl4.21 N8 O13 -","- C68.402 H73.402 Cl4.206 N8 O13 -","- C136.804 H146.804 Cl8.412 N16 O26 -","2","1","","Atcher, Joan; Nagai, Aki; Mayer, Peter; Maurizot, Victor; Tanatani, Aya; Huc, Ivan","Aromatic β-sheet foldamers based on tertiary squaramides","Chemical Communications","2019","","","","","10.1039/C9CC04849A","","","1.54178","CuKα","","0.0812","0.0786","","","0.2383","0.2414","","","","","","1.031","","","","has coordinates,has disorder","217438","2020-10-21","18:00:00",""
"7123956","11.647","0.0006","23.8157","0.0006","24.7874","0.0006","104.064","0.002","96.215","0.004","96.776","0.003","6555.6","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C109 H114 N14 O20 -","- C109 H114 N14 O20 -","- C218 H228 N28 O40 -","2","1","","Atcher, Joan; Nagai, Aki; Mayer, Peter; Maurizot, Victor; Tanatani, Aya; Huc, Ivan","Aromatic β-sheet foldamers based on tertiary squaramides","Chemical Communications","2019","","","","","10.1039/C9CC04849A","","","1.54184","CuKα","","0.1463","0.12","","","0.3382","0.3636","","","","","","1.031","","","","has coordinates","217438","2020-10-21","18:00:00",""
"7123957","11.2245","0.0003","11.4449","0.0004","16.0926","0.0006","75.207","0.002","79.295","0.002","71.188","0.002","1879.9","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 B10 O2 -","- C16 H20 B10 O2 -","- C64 H80 B40 O8 -","4","2","","Jaiswal, Kuldeep; Volodarsky , Solomon; Kampel, Vladimir; Dobrovetsky, Roman","A Self-Catalyzed Reaction of 1,2-Dibenzoyl o-Carborane with Hydrosilanes ‒ Formation of New Hydrofuranes","Chemical Communications","2019","","","","","10.1039/C9CC04780H","","","0.71073","MoKα","","0.077","0.0511","","","0.1177","0.1354","","","","","","1.041","","","","has coordinates","217439","2020-10-21","18:00:00",""
"7123958","11.3357","0.0013","9.6066","0.0012","31.643","0.004","90","","95.446","0.003","90","","3430.3","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 F10 O2 -","- C20 H4 F10 O2 -","- C160 H32 F80 O16 -","8","2","","Jaiswal, Kuldeep; Volodarsky , Solomon; Kampel, Vladimir; Dobrovetsky, Roman","A Self-Catalyzed Reaction of 1,2-Dibenzoyl o-Carborane with Hydrosilanes ‒ Formation of New Hydrofuranes","Chemical Communications","2019","","","","","10.1039/C9CC04780H","","","0.71073","MoKα","","0.0736","0.0434","","","0.0821","0.0948","","","","","","1.022","","","","has coordinates","217439","2020-10-21","18:00:00",""
"7123959","12.7044","0.0005","16.5597","0.0007","14.4122","0.0006","90","","115.405","0.001","90","","2738.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 B10 O2 Si -","- C22 H36 B10 O2 Si -","- C88 H144 B40 O8 Si4 -","4","1","","Jaiswal, Kuldeep; Volodarsky , Solomon; Kampel, Vladimir; Dobrovetsky, Roman","A Self-Catalyzed Reaction of 1,2-Dibenzoyl o-Carborane with Hydrosilanes ‒ Formation of New Hydrofuranes","Chemical Communications","2019","","","","","10.1039/C9CC04780H","","","0.71073","MoKα","","0.1138","0.0897","","","0.2416","0.2667","","","","","","1.048","","","","has coordinates,has disorder","217439","2020-10-21","18:00:00",""
"7123960","11.2264","0.0011","13.0984","0.0013","13.4829","0.0013","79.163","0.003","89.799","0.002","77.239","0.004","1897.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Dimitry676b (Roman TA)","","","- C16 H22 B10 O -","- C16 H22 B10 O -","- C64 H88 B40 O4 -","4","2","","Jaiswal, Kuldeep; Volodarsky , Solomon; Kampel, Vladimir; Dobrovetsky, Roman","A Self-Catalyzed Reaction of 1,2-Dibenzoyl o-Carborane with Hydrosilanes ‒ Formation of New Hydrofuranes","Chemical Communications","2019","","","","","10.1039/C9CC04780H","","","0.71073","MoKα","","0.1081","0.0538","","","0.1135","0.1304","","","","","","0.865","","","","has coordinates","217439","2020-10-21","18:00:00",""
"7123961","6.5581","0.0012","10.928","0.0019","16.216","0.003","90","","92.794","0.003","90","","1160.8","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 N2 O5 S -","- C27 H25 N2 O5 S -","- C54 H50 N4 O10 S2 -","2","1","","Zhou, Leijie; Zeng, Yuan; Gao, Xing; Wang, Qijun; Wang, Chang; Wang, Bo; Wang, Wei; Wu, Yongjun; Zheng, Bing; Guo, Hongchao","Chiral squaramide-catalyzed asymmetric dearomative tandem annulation reaction through kinetic resolution of MBH alcohols: highly enantioselective synthesis of three-dimensional heterocyclic compounds","Chemical Communications","2019","","","","","10.1039/C9CC05483A","","","0.71073","MoKα","","0.0418","0.0409","","","0.1085","0.1093","","","","","","1.057","","","","has coordinates","217456","2020-10-21","18:00:00",""
"7123962","11.0477","0.0012","16.493","0.003","16.663","0.003","109.226","0.004","102.182","0.004","108.712","0.004","2539.4","0.7","104","2","104","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H35 -","- C34 H35 -","- C136 H140 -","4","2","","Rietsch, Philipp; Soyka, Jan; Brülls, Steffen; Er, Jasmin; Hoffmann, Katrin; Beerhues, Julia; Sarkar, Biprajit; Resch-Genger, Ute; Eigler, Siegfried","Fluorescence of a Chiral Pentaphene Derivative Derived from the Hexabenzocoronene Motif","Chemical Communications","2019","","","","","10.1039/C9CC05451K","","","0.71073","MoKα","","0.0895","0.0516","","","0.1131","0.1302","","","","","","1.024","","","","has coordinates","217467","2020-10-21","18:00:00",""
"7123963","17.555","0.007","19.539","0.007","22.727","0.009","90","","90","","90","","7796","5","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,20-dithiahexaphyrin","","- C52 H34 N6 S2 -","- C52 H34 N6 S2 -","- C416 H272 N48 S16 -","8","1","","Umetani, Masataka; Kim, Jinseok; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","5,20-Diheterohexaphyrins: metal-template-free synthesis and aromaticity switching","Chemical Communications","2019","","","","","10.1039/C9CC05580K","","","1.54187","CuKα","","0.1422","0.0642","","","0.1845","0.3486","","","","","","1.095","","","","has coordinates","217468","2020-10-21","18:00:00",""
"7123964","9.818","0.002","8.0037","0.0016","28.018","0.006","90","","92.757","0.004","90","","2199.1","0.8","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,20-diaza[28]hexaphyrin","","- C53.3 H37.91 Cl2.7 N8 -","- C53.304 H37.912 Cl2.696 N8 -","- C106.608 H75.824 Cl5.392 N16 -","2","0.5","","Umetani, Masataka; Kim, Jinseok; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","5,20-Diheterohexaphyrins: metal-template-free synthesis and aromaticity switching","Chemical Communications","2019","","","","","10.1039/C9CC05580K","","","0.71073","MoKα","","0.1061","0.0698","","","0.1859","0.218","","","","","","1.054","","","","has coordinates,has disorder","217468","2020-10-21","18:00:00",""
"7123965","13.6032","0.0002","15.9814","0.0002","14.9395","0.0003","90","","116.214","0.002","90","","2913.78","0.1","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,20-diaza[28]hexaphyrin","","- C33 H31.39 Cl2.61 N4 -","- C33 H31.397 Cl2.603 N4 -","- C132 H125.588 Cl10.412 N16 -","4","1","","Umetani, Masataka; Kim, Jinseok; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","5,20-Diheterohexaphyrins: metal-template-free synthesis and aromaticity switching","Chemical Communications","2019","","","","","10.1039/C9CC05580K","","","1.54184","CuKα","","0.0956","0.0887","","","0.3142","0.3374","","","","","","1.038","","","","has coordinates,has disorder","217468","2020-10-21","18:00:00",""
"7123966","13.8418","0.0003","16.1286","0.0002","14.8743","0.0003","90","","115.395","0.002","90","","2999.8","0.11","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,20-dithiahexaphyrin","","- C33 H30 Cl3 N3 S -","- C33 H30 Cl3 N3 S -","- C132 H120 Cl12 N12 S4 -","4","1","","Umetani, Masataka; Kim, Jinseok; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","5,20-Diheterohexaphyrins: metal-template-free synthesis and aromaticity switching","Chemical Communications","2019","","","","","10.1039/C9CC05580K","","","1.54184","CuKα","","0.0622","0.055","","","0.1555","0.1607","","","","","","1.097","","","","has coordinates","217468","2020-10-21","18:00:00",""
"7123967","13.2366","0.0003","13.574","0.0003","16.9125","0.0005","90","","108.153","0.003","90","","2887.49","0.13","93","2","93","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","5,20-diaza[26]hexaphyrin","","- C33 H31 Cl2 N4 -","- C33 H31 Cl2 N4 -","- C132 H124 Cl8 N16 -","4","1","","Umetani, Masataka; Kim, Jinseok; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","5,20-Diheterohexaphyrins: metal-template-free synthesis and aromaticity switching","Chemical Communications","2019","","","","","10.1039/C9CC05580K","","","1.54184","CuKα","","0.0603","0.0521","","","0.1532","0.1609","","","","","","1.041","","","","has coordinates","217468","2020-10-21","18:00:00",""
"7123968","8.3714","0.0007","13.6749","0.0007","16.118","0.0008","82.28","0.004","87.767","0.005","73.097","0.006","1749.4","0.2","173","","173","","","","","","","","","3","P 1","P 1","1","","","","- C15 H11 F3 -","- C15 H11 F3 -","- C90 H66 F18 -","6","6","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","1.54184","CuKα","","0.1674","0.0948","","","0.2188","0.2782","","","","","","0.948","","","","has coordinates","217480","2020-10-21","18:00:00",""
"7123969","15.873","0.002","5.6329","0.0005","25.223","0.003","90","","95.875","0.011","90","","2243.4","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 -","- C15 H12 F2 -","- C120 H96 F16 -","8","2","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","1.54184","CuKα","","0.1559","0.1169","","","0.3267","0.351","","","","","","1.046","","","","has coordinates,has disorder","217480","2020-10-21","18:00:00",""
"7123970","5.7483","0.0014","7.9388","0.0015","26.104","0.011","90","","95.14","0.03","90","","1186.5","0.6","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F4 -","- C15 H10 F4 -","- C60 H40 F16 -","4","1","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","1.54184","CuKα","","0.257","0.2229","","","0.576","0.6009","","","","","","2.261","","","","has coordinates","217480","2020-10-21","18:00:00",""
"7123971","5.9713","0.0005","7.3226","0.0006","26.183","0.003","90","","94.546","0.009","90","","1141.26","0.19","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","1.54184","CuKα","","0.0868","0.0684","","","0.1993","0.2125","","","","","","1.099","","","","has coordinates","217480","2020-10-21","18:00:00",""
"7123972","5.9337","0.0005","7.5484","0.0008","15.1871","0.0013","90","","96.119","0.009","90","","676.35","0.11","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 I -","- C15 H10 F3 I -","- C30 H20 F6 I2 -","2","1","","O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra","Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif","Chemical Communications","2019","","","","","10.1039/C9CC05749H","","","0.71073","MoKα","","0.1269","0.1217","","","0.3049","0.3104","","","","","","1.341","","","","has coordinates","217480","2020-10-21","18:00:00",""
"7123973","12.2898","0.0013","11.4074","0.0013","22.636","0.003","90","","90","","90","","3173.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","","Fang, Qing-Yun; Jin, Hai-shan; Wang, Ru-Bing; Zhao, Li-Ming","DABCO-Mediated [3 + 3] Cycloaddition of Azomethine Imines with in Situ Generated Nitrile Oxides from Hydroximoyl Chlorides","Chemical Communications","2019","","","","","10.1039/C9CC05367K","","x-ray","0.71073","MoKα","","0.1541","0.0578","","","0.0742","0.0984","","","","","","0.924","","","","has coordinates","217490","2020-10-21","18:00:00",""
"7123974","8.198","0.007","12.125","0.009","14.677","0.011","72.35","0.03","78.63","0.04","82.21","0.04","1358.5","1.9","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N3 O11 Zn -","- C28 H25 N3 O11 Zn -","- C56 H50 N6 O22 Zn2 -","2","1","","Hou, Hongwei; Shao, Chao Zhi; Wu, Qiong; Han, Xiao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei","Proton coupled electron transfer ─ a new photochromic performance in host-guest collaborative MOF","Chemical Communications","2019","","","","","10.1039/C9CC05498G","","","0.71073","MoKα","","0.0416","0.0337","","","0.0811","0.0853","","","","","","1.058","","","","has coordinates","217491","2020-10-21","18:00:00",""
"7123975","10.6708","0.0003","20.4338","0.0006","17.7611","0.0006","90","","104.773","0.002","90","","3744.7","0.2","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C50 H38 O4 -","- C50 H38 O4 -","- C200 H152 O16 -","4","2","","Reine, Pablo; Campaña, Araceli G.; Alvarez de Cienfuegos, Luis; Blanco, Victor; Abbate, Sergio; Mota, Antonio J.; Longhi, Giovanna; Miguel, Delia; Cuerva, Juan Manuel","Chiral double stapled o-OPEs with intense circularly polarized luminescence","Chemical Communications","2019","","","","","10.1039/C9CC04885E","","","1.54178","CuKα","","0.0502","0.0462","","","0.1157","0.119","","","","","","1.038","","","","has coordinates","217494","2020-10-21","18:00:00",""
"7123976","7.8518","0.0002","15.2537","0.0005","26.0789","0.0007","90","","92.227","0.003","90","","3121.08","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F6 N O -","- C18 H11 F6 N O -","- C144 H88 F48 N8 O8 -","8","2","","Zhong, Jian-Ji; Qi, Xu-Kuan; Zhang, Hong; Pan, Zi-Tong; Liang, Rong-Bin; Zhu, Can-Ming; Li, Jing-Hong; Tong, Qing-Xiao; Gao, Xue-Wang; Wu, Li-Zhu","Photoinduced Synthesis of Fluorinated Dibenz[b,e]azepines via Radical Triggered Cyclization","Chemical Communications","2019","","","","","10.1039/C9CC04977K","","x-ray","1.54184","CuKα","","0.0587","0.0521","","","0.134","0.1378","","","","","","1.055","","","","has coordinates,has disorder","217495","2020-10-21","18:00:00",""
"7123977","10.0953","0.0005","26.4194","0.0009","8.7916","0.0005","90","","114.895","0.006","90","","2126.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl4 N O -","- C24 H15 Cl4 N O -","- C96 H60 Cl16 N4 O4 -","4","1","","Kumar, Shiv; Saunthwal, Rakesh K.; Saini, Kapil Mohan; Verma, Akhilesh K.","Dual Function of Cabon Tetrachloride: Synthesis of Chlorinated Heterocycles.","Chemical Communications","2019","","","","","10.1039/C9CC04746H","","","0.71073","MoKα","","0.0488","0.0417","","","0.0946","0.0985","","","","","","1.01","","","","has coordinates","217496","2020-10-21","18:00:00",""
"7123978","21.854","0.003","21.854","0.003","44.273","0.006","90","","90","","90","","21145","5","273","2","273.15","","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C168 H276 Cl4 N30 Nb4 O180 S7 V40 -","- C108 H36 Cl4 Nb4 O188 S7 V40 -","- C216 H72 Cl8 Nb8 O376 S14 V80 -","2","0.125","","Gong, Yaru; Tao, Yanli; Xu, Na; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Two polyoxovanadate-based metal-organic polyhedra with undiscovered “Near-miss Johnson Solid” geometry†","Chemical Communications","2019","","","","","10.1039/C9CC05984A","","","0.71073","MoKα","","0.0957","0.0647","","","0.1754","0.1979","","","","","","1.009","","","","has coordinates,has disorder","217497","2020-10-21","18:00:00",""
"7123979","41.892","0.005","21.947","0.002","46.7","0.005","90","","103.267","0.004","90","","41790","8","296","2","296.02","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C156 H228 Cl4 N24 O176 S6 V40 W4 -","- C136 H148 Cl4 N14 O176 S6 V40 W4 -","- C544 H592 Cl16 N56 O704 S24 V160 W16 -","4","0.5","","Gong, Yaru; Tao, Yanli; Xu, Na; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Two polyoxovanadate-based metal-organic polyhedra with undiscovered “Near-miss Johnson Solid” geometry†","Chemical Communications","2019","","","","","10.1039/C9CC05984A","","","0.71073","MoKα","","0.0883","0.0612","","","0.164","0.1853","","","","","","1.018","","","","has coordinates","217497","2020-10-21","18:00:00",""
"7123980","13.545","0.0006","14.376","0.001","19.5043","0.0008","99.475","0.004","93.788","0.004","109.582","0.004","3499.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H71 B Cl D3 F15 N4 P2 -","- C75 H71 B Cl D3 F15 N4 P2 -","- C150 H142 B2 Cl2 D6 F30 N8 P4 -","2","1","","Ho, Luong Phong; Zaretzke, Marc-Kevin; Bannenberg, Thomas; Tamm, Matthias","Heteroleptic diphosphenes and arsaphosphenes bearing neutral and anionic N-heterocyclic carbenes","Chemical Communications","2019","","","","","10.1039/C9CC05739K","","x-ray","1.54184","CuKα","","0.0773","0.0579","","","0.1521","0.1668","","","","","","1.039","","","","has coordinates","217510","2020-10-21","18:00:00",""
"7123981","13.8673","0.0002","14.4035","0.0002","21.4914","0.0004","102.619","0.002","96.156","0.002","110.132","0.002","3854.26","0.13","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C79 H79 As B Cl4 F15 Ga N4 P -","- C79 H79 As B Cl4 F15 Ga N4 P -","- C158 H158 As2 B2 Cl8 F30 Ga2 N8 P2 -","2","1","","Ho, Luong Phong; Zaretzke, Marc-Kevin; Bannenberg, Thomas; Tamm, Matthias","Heteroleptic diphosphenes and arsaphosphenes bearing neutral and anionic N-heterocyclic carbenes","Chemical Communications","2019","","","","","10.1039/C9CC05739K","","","0.71073","MoKα","","0.0494","0.0419","","","0.1129","0.1166","","","","","","1.05","","","","has coordinates,has disorder","217510","2020-10-21","18:00:00",""
"7123982","12.5253","0.0002","15.4459","0.0002","20.2657","0.0002","105.855","0.002","90.306","0.002","112.409","0.002","3460.21","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H75 B F15 N4 O0.5 P2 -","- C74 H75 B F15 N4 O0.5 P2 -","- C148 H150 B2 F30 N8 O P4 -","2","1","","Ho, Luong Phong; Zaretzke, Marc-Kevin; Bannenberg, Thomas; Tamm, Matthias","Heteroleptic diphosphenes and arsaphosphenes bearing neutral and anionic N-heterocyclic carbenes","Chemical Communications","2019","","","","","10.1039/C9CC05739K","","","1.54184","CuKα","","0.0487","0.0466","","","0.1269","0.1285","","","","","","1.042","","","","has coordinates,has disorder","217510","2020-10-21","18:00:00",""
"7123983","10.6105","0.0002","14.4633","0.0002","26.956","0.0004","83.12","0.001","89.602","0.001","72.833","0.002","3922.23","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H76 B Cl5 F15 Ga N4 P2 -","- C78 H76 B Cl5 F15 Ga N4 P2 -","- C156 H152 B2 Cl10 F30 Ga2 N8 P4 -","2","1","","Ho, Luong Phong; Zaretzke, Marc-Kevin; Bannenberg, Thomas; Tamm, Matthias","Heteroleptic diphosphenes and arsaphosphenes bearing neutral and anionic N-heterocyclic carbenes","Chemical Communications","2019","","","","","10.1039/C9CC05739K","","","1.54184","CuKα","","0.0704","0.0554","","","0.1541","0.1688","","","","","","1.035","","","","has coordinates,has disorder","217510","2020-10-21","18:00:00",""
"7123984","12.4926","0.0008","15.7024","0.001","20.2821","0.0008","105.543","0.004","90.831","0.004","112.95","0.006","3497.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H73.5 As B Cl0.5 F15 N4 P -","- C75 H73.5 As B Cl0.5 F15 N4 P -","- C150 H147 As2 B2 Cl F30 N8 P2 -","2","1","","Ho, Luong Phong; Zaretzke, Marc-Kevin; Bannenberg, Thomas; Tamm, Matthias","Heteroleptic diphosphenes and arsaphosphenes bearing neutral and anionic N-heterocyclic carbenes","Chemical Communications","2019","","","","","10.1039/C9CC05739K","","","1.54184","CuKα","","0.0938","0.0675","","","0.1768","0.197","","","","","","1.035","","","","has coordinates,has disorder","217510","2020-10-21","18:00:00",""
"7123985","13.5035","0.0008","14.396","0.0008","19.4613","0.0008","99.868","0.004","93.997","0.004","108.674","0.005","3499.4","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H74 As B Cl F15 N4 P -","- C75 H74 As B Cl F15 N4 P -","- C150 H148 As2 B2 Cl2 F30 N8 P2 -","2","1","","Ho, Luong Phong; Zaretzke, Marc-Kevin; Bannenberg, Thomas; Tamm, Matthias","Heteroleptic diphosphenes and arsaphosphenes bearing neutral and anionic N-heterocyclic carbenes","Chemical Communications","2019","","","","","10.1039/C9CC05739K","","","1.54184","CuKα","","0.0888","0.0563","","","0.1329","0.1555","","","","","","1.032","","","","has coordinates","217510","2020-10-21","18:00:00",""
"7123986","58.0985","0.0005","17.79804","0.00015","61.6119","0.0006","90","","115.75","0.0011","90","","57382.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cl1.5 H454 Li30.5 Na51 O597 Te48 W78 -","- Na28 O449 Te48 W78 -","- Na112 O1796 Te192 W312 -","4","0.5","","Liu, Jin-Xiu; Izarova, Natalya V.; Kögerler, Paul","Blurring the line between addenda and heteroatoms in a giant polyoxotungstotellurite","Chemical Communications","2019","","","","","10.1039/C9CC04623B","","","0.71073","MoKα","","0.0857","0.0574","","","0.1346","0.1597","","","","","","1.066","","","","has coordinates","217525","2020-10-21","18:00:00",""
"7123987","11.5799","0.0013","12.395","0.002","15.448","","90.34","0.007","110.629","0.008","92.601","0.007","2072.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H54 Au F6 N4 O P -","- C41 H54 Au F6 N4 O P -","- C82 H108 Au2 F12 N8 O2 P2 -","2","1","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","0.71073","MoKα","","0.0494","0.0398","","","0.0738","0.0759","","","","","","1.005","","","","has coordinates,has disorder","217526","2020-10-21","18:00:00",""
"7123988","11.0376","0.0011","22.224","0.002","12.1752","0.0014","90","","94.256","0.001","90","","2978.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H65 Au F6 N5 O2 P -","- C59 H65 Au F6 N5 O2 P -","- C118 H130 Au2 F12 N10 O4 P2 -","2","1","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","0.71073","MoKα","","0.0255","0.0227","","","0.047","0.0478","","","","","","1.024","","","","has coordinates","217526","2020-10-21","18:00:00",""
"7123989","11.1145","0.0006","18.0534","0.0009","25.6124","0.0014","83.682","0.004","84.131","0.005","78.693","0.005","4991.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H61 Au Cl0.5 F6 N5 O2 P -","- C49.29 H60.54 Au Cl0.5 F6 N5 O2 P -","- C197.16 H242.16 Au4 Cl2 F24 N20 O8 P4 -","4","2","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","1.54184","CuKα","","0.0821","0.054","","","0.1264","0.1447","","","","","","1.024","","","","has coordinates,has disorder","217526","2020-10-21","18:00:00",""
"7123990","11.0823","0.0002","17.7057","0.0004","24.2599","0.0004","70.377","0.002","88.269","0.001","79.328","0.002","4403.62","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H56 Au F6 N6 O2 P -","- C42 H56 Au F6 N6 O2 P -","- C168 H224 Au4 F24 N24 O8 P4 -","4","2","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","1.54184","CuKα","","0.0468","0.0399","","","0.1019","0.109","","","","","","1.036","","","","has coordinates,has disorder","217526","2020-10-21","18:00:00",""
"7123991","10.6871","0.0004","15.364","0.0006","16.264","0.0005","110.76","0.003","92.833","0.003","99.2","0.003","2448.65","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H57 Au F6 N5 O5 P -","- C48 H57 Au F6 N5 O5 P -","- C96 H114 Au2 F12 N10 O10 P2 -","2","1","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","0.71073","MoKα","","0.0359","0.033","","","0.0802","0.0821","","","","","","1.081","","","","has coordinates,has disorder","217526","2020-10-21","18:00:00",""
"7123992","11.0059","0.0005","18.0147","0.0009","25.0303","0.0007","100.792","0.003","96.933","0.003","99.946","0.004","4741.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H61 Au F6 N5 O3 P -","- C46 H61 Au F6 N5 O3 P -","- C184 H244 Au4 F24 N20 O12 P4 -","4","2","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","1.54184","CuKα","","0.0473","0.0431","","","0.1143","0.1198","","","","","","1.019","","","","has coordinates,has disorder","217526","2020-10-21","18:00:00",""
"7123993","43.9057","0.0011","11.3191","0.0004","47.4794","0.0009","90","","90","","90","","23596","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H68 Au F6 N5 O2.5 P -","- C52 H68 Au F6 N5 O2.5 P -","- C832 H1088 Au16 F96 N80 O40 P16 -","16","2","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","1.54184","CuKα","","0.1471","0.0887","","","0.1976","0.2398","","","","","","1.02","","","","has coordinates","217526","2020-10-21","18:00:00",""
"7123994","7.8987","0.0007","11.2682","0.001","11.2825","0.001","74.239","0.003","70.908","0.003","87.139","0.003","912.44","0.14","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 Zn -","- C22 H19 N O4 Zn -","- C44 H38 N2 O8 Zn2 -","2","1","","Dutta, Basudeb; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","Sunlight-driven photosalient effect of 1D coordination polymer and release of an elusive cyclobutane derivative","Chemical Communications","2019","","","","","10.1039/C9CC06016B","","","0.71073","MoKα","","0.0481","0.0473","","","0.128","0.1293","","","","","","0.968","","","","has coordinates","217527","2020-10-21","18:00:00",""
"7123995","13.8251","0.0015","15.8177","0.0018","13.4161","0.0015","90","","112.749","0.003","90","","2705.6","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 N4 O -","- C71 H60 N4 O -","- C142 H120 N8 O2 -","2","0.5","","Dutta, Basudeb; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","Sunlight-driven photosalient effect of 1D coordination polymer and release of an elusive cyclobutane derivative","Chemical Communications","2019","","","","","10.1039/C9CC06016B","","","0.71073","MoKα","","0.1156","0.0673","","","0.1918","0.2273","","","","","","1.133","","","","has coordinates","217527","2020-10-21","18:00:00",""
"7123996","8.5806","0.0007","10.248","0.0008","10.6149","0.0008","95.974","0.004","112.253","0.004","102.68","0.004","824.51","0.12","569","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 O -","- C22 H17 O -","- C44 H34 O2 -","2","1","","Groysman, Stanislav; Lord, Richard L.; Wannipurage, Duleeka; Kurup, Sudheer S.","Tying the alkoxides together: an iron complex of a new chelating bulky bis(alkoxide) demonstrates selectivity for coupling of non-bulky aryl nitrenes","Chemical Communications","2019","","","","","10.1039/C9CC05319K","","","0.71073","MoKα","","0.1386","0.05","","","0.1074","0.1568","","","","","","0.999","","","","has coordinates","217528","2020-10-21","18:00:00",""
"7123997","14.457","0.0015","16.9138","0.0018","17.4369","0.0018","90","","90","","90","","4263.7","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52.5 H49 Cl Fe O4 -","- C52.5 H49 Cl Fe O4 -","- C210 H196 Cl4 Fe4 O16 -","4","1","","Groysman, Stanislav; Lord, Richard L.; Wannipurage, Duleeka; Kurup, Sudheer S.","Tying the alkoxides together: an iron complex of a new chelating bulky bis(alkoxide) demonstrates selectivity for coupling of non-bulky aryl nitrenes","Chemical Communications","2019","","","","","10.1039/C9CC05319K","","","0.71073","MoKα","","0.0894","0.0789","","","0.2277","0.2324","","","","","","1.137","","","","has coordinates,has disorder","217528","2020-10-21","18:00:00",""
"7123998","9.9877","0.0013","9.5433","0.0012","10.2039","0.0013","90","","92.235","0.004","90","","971.9","0.2","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C50 H44 N4 O2 -","2","1","","Shi, Peng; Wang, Jie; Gan, ZiXu; Zhang, Jingyu; Zeng, Runsheng; Zhao, Yingsheng","A Practical Copper-Catalyzed Approach to β-Lactams via Radical Carboamination of Alkenyl Carbonyl Compounds","Chemical Communications","2019","","","","","10.1039/C9CC05668H","","","0.71073","MoKα","","0.1053","0.0579","","","0.0975","0.1094","","","","","","1.056","","","","has coordinates","217529","2020-10-21","18:00:00",""
"7123999","19.544","0.002","9.0665","0.0012","11.0933","0.0013","90","","90.176","0.004","90","","1965.7","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N6 O10 Zn3 -","- C14 H6 N6 O10 Zn3 -","- C56 H24 N24 O40 Zn12 -","4","0.5","","Cabrero-Antonino, Maria; Remiro-Buenamañana, Sonia; Souto, Manuel; García-Valdivia, Antonio Andres; Choquesillo-Lazarte, Duane; Navalon, Sergio; Rodríguez Diéguez, Antonio; Minguez Espallargas, Guillermo; Garcia, Hermenegildo","Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu2O nanoparticles for CO2 methanation","Chemical Communications","2019","","","","","10.1039/C9CC04446A","","","0.71073","MoKα","","0.1148","0.0618","","","0.1262","0.149","","","","","","1.061","","","","has coordinates","217531","2020-10-21","18:00:00",""
"7124000","16.643","0.002","14.593","0.002","10.9639","0.0016","90","","90.296","0.016","90","","2662.8","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H7 N6 O7 Zn4 -","- C15 H7 N6 O7 Zn4 -","- C60 H28 N24 O28 Zn16 -","4","0.5","","Cabrero-Antonino, Maria; Remiro-Buenamañana, Sonia; Souto, Manuel; García-Valdivia, Antonio Andres; Choquesillo-Lazarte, Duane; Navalon, Sergio; Rodríguez Diéguez, Antonio; Minguez Espallargas, Guillermo; Garcia, Hermenegildo","Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu2O nanoparticles for CO2 methanation","Chemical Communications","2019","","","","","10.1039/C9CC04446A","","","0.71073","MoKα","","0.1239","0.1035","","","0.2575","0.2778","","","","","","1.165","","","","has coordinates,has disorder","217531","2020-10-21","18:00:00",""
"7124001","19.2623","0.0014","9.9839","0.0006","11.0852","0.0007","90","","90.246","0.008","90","","2131.8","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N7 O7 Zn3 -","- C17 H8 N7 O7 Zn3 -","- C68 H32 N28 O28 Zn12 -","4","0.5","","Cabrero-Antonino, Maria; Remiro-Buenamañana, Sonia; Souto, Manuel; García-Valdivia, Antonio Andres; Choquesillo-Lazarte, Duane; Navalon, Sergio; Rodríguez Diéguez, Antonio; Minguez Espallargas, Guillermo; Garcia, Hermenegildo","Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu2O nanoparticles for CO2 methanation","Chemical Communications","2019","","","","","10.1039/C9CC04446A","","","0.71073","MoKα","","0.0361","0.0309","","","0.0705","0.0729","","","","","","1.108","","","","has coordinates,has disorder","217531","2020-10-21","18:00:00",""
"7124002","18.037","0.002","12.5871","0.0013","11.0828","0.0013","90","","93.046","0.005","90","","2512.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N8 O8 Zn3 -","- C20 H8 N8 O8 Zn3 -","- C80 H32 N32 O32 Zn12 -","4","0.5","","Cabrero-Antonino, Maria; Remiro-Buenamañana, Sonia; Souto, Manuel; García-Valdivia, Antonio Andres; Choquesillo-Lazarte, Duane; Navalon, Sergio; Rodríguez Diéguez, Antonio; Minguez Espallargas, Guillermo; Garcia, Hermenegildo","Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu2O nanoparticles for CO2 methanation","Chemical Communications","2019","","","","","10.1039/C9CC04446A","","","0.71073","MoKα","","0.087","0.0508","","","0.091","0.1006","","","","","","1.058","","","","has coordinates,has disorder","217531","2020-10-21","18:00:00",""
"7124003","18.94","0.03","10.098","0.016","10.957","0.017","90","","90.71","0.04","90","","2095","6","120","2","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N8 O8 Zn3 -","- C14 H8 N6 O6 Zn3 -","- C56 H32 N24 O24 Zn12 -","4","0.5","","Cabrero-Antonino, Maria; Remiro-Buenamañana, Sonia; Souto, Manuel; García-Valdivia, Antonio Andres; Choquesillo-Lazarte, Duane; Navalon, Sergio; Rodríguez Diéguez, Antonio; Minguez Espallargas, Guillermo; Garcia, Hermenegildo","Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu2O nanoparticles for CO2 methanation","Chemical Communications","2019","","","","","10.1039/C9CC04446A","","","0.71073","MoKα","","0.2122","0.1798","","","0.4035","0.4232","","","","","","1.676","","","","has coordinates","217531","2020-10-21","18:00:00",""
"7124004","17.7182","0.0014","13.0967","0.0012","11.061","0.001","90","","94.014","0.004","90","","2560.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N8 O9 Zn3 -","- C20 H22 N8 O9 Zn3 -","- C80 H88 N32 O36 Zn12 -","4","0.5","","Cabrero-Antonino, Maria; Remiro-Buenamañana, Sonia; Souto, Manuel; García-Valdivia, Antonio Andres; Choquesillo-Lazarte, Duane; Navalon, Sergio; Rodríguez Diéguez, Antonio; Minguez Espallargas, Guillermo; Garcia, Hermenegildo","Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu2O nanoparticles for CO2 methanation","Chemical Communications","2019","","","","","10.1039/C9CC04446A","","","0.71073","MoKα","","0.0586","0.0401","","","0.0827","0.0891","","","","","","1.096","","","","has coordinates","217531","2020-10-21","18:00:00",""
"7124005","13.978","0.0005","15.6198","0.0006","16.465","0.0006","75.305","0.001","85.445","0.001","68.59","0.002","3237","0.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C136 H98 B2 F48 N4 O8 -","- C136 H98 B2 F48 N4 O8 -","- C136 H98 B2 F48 N4 O8 -","1","0.5","","Wang, Yu-Mei; Yao, Huan; Quan, Mao; Chai, Hongxin; Yang, Liu-Pan; Pan, Ying-Ming; Jiang, Wei","Unexpected Solvent Effect on the Binding of Positively-Charged Macrocycles to Neutral Aromatic Hydrocarbons","Chemical Communications","2019","","","","","10.1039/C9CC06154A","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","217542","2020-10-21","18:00:00",""
"7124006","13.9528","0.0005","15.9387","0.0005","16.2647","0.0006","75.31","0.002","84.666","0.002","67.739","0.002","3238.1","0.2","100.04","","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C137 H98 B2 Cl2 D2 F48 N4 O8 -","- C137 H98 B2 Cl2 D2 F48 N4 O8 -","- C137 H98 B2 Cl2 D2 F48 N4 O8 -","1","0.5","","Wang, Yu-Mei; Yao, Huan; Quan, Mao; Chai, Hongxin; Yang, Liu-Pan; Pan, Ying-Ming; Jiang, Wei","Unexpected Solvent Effect on the Binding of Positively-Charged Macrocycles to Neutral Aromatic Hydrocarbons","Chemical Communications","2019","","","","","10.1039/C9CC06154A","","","1.54178","CuKα","","0.064","0.0572","","","0.1743","0.1814","","","","","","1.094","","","","has coordinates","217542","2020-10-21","18:00:00",""
"7124007","28.1961","0.0009","13.3772","0.0004","11.8239","0.0004","90","","93.093","0.0018","90","","4453.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.84 H16.84 Br Cl2.53 N O6.31 -","- C20.841 H16.841 Br Cl2.523 N O6.318 -","- C166.728 H134.728 Br8 Cl20.184 N8 O50.544 -","8","1","","Keskar, Kunal; Zepeda-Velazquez, Carlos; Babu, Chanti; Jenkins, Hilary A.; McNulty, James","The synthesis of densely functionalised α-acyloxy enaminals and enaminones via a novel homogeneous silver (I) catalysed rearrangement","Chemical Communications","2019","","","","","10.1039/C9CC05614A","","","1.54178","CuKα","","0.0816","0.0726","","","0.201","0.2088","","","","","","1.113","","","","has coordinates,has disorder","217543","2020-10-21","18:00:00",""
"7124008","12.582","0.0005","15.055","0.0007","16.6109","0.0006","82.568","0.003","82.672","0.003","76.06","0.004","3012.9","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C87.6 H95 Co4 F31 N18 O11.4 P5 -","- C87.6 H95 Co4 F31 N18 O11.4 P5 -","- C87.6 H95 Co4 F31 N18 O11.4 P5 -","1","0.5","","Møller, Mads Sondrup; Haag, Alexander; McKee, Vickie; McKenzie, Christine J.","NO sorption, in-crystal nitrite and nitrate production with arylamine oxidation in gas‒solid single crystal to single crystal reactions","Chemical Communications","2019","","","","","10.1039/C9CC05315H","","x-ray","1.54184","CuKα","","0.1262","0.1054","","","0.3074","0.3265","","","","","","1.334","","","","has coordinates,has disorder","217544","2020-10-21","18:00:00",""
"7124009","10.2477","0.0006","11.0788","0.0005","20.5444","0.0008","93.154","0.003","98.663","0.004","90.411","0.004","2302.07","0.19","100","0.1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H83.6 Co4 N25 O36.4 -","- C80 H81.6 Co4 N21 O29.4 -","- C80 H81.6 Co4 N21 O29.4 -","1","0.5","","Møller, Mads Sondrup; Haag, Alexander; McKee, Vickie; McKenzie, Christine J.","NO sorption, in-crystal nitrite and nitrate production with arylamine oxidation in gas‒solid single crystal to single crystal reactions","Chemical Communications","2019","","","","","10.1039/C9CC05315H","","x-ray","1.54184","CuKα","","0.0964","0.0751","","","0.1959","0.2097","","","","","","1.019","","","","has coordinates,has disorder","217544","2020-10-21","18:00:00",""
"7124010","10.7994","0.0002","7.8119","0.0001","19.995","0.0003","90","","95.793","0.001","90","","1678.24","0.05","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Liu, Bingxian; Yuan, Yin; Hu, Panjie; zheng, guangfan; Bai, Da-Chang; Chang, Junbiao; Li, Xingwei","Mn(I)-Catalyzed Nucleophilic Addition/Ring Expansion via C-H Activation and C-C Cleavage","Chemical Communications","2019","","","","","10.1039/C9CC05973C","","x-ray","1.54184","CuKα","","0.0499","0.0449","","","0.1124","0.1159","","","","","","1.052","","","","has coordinates","217545","2020-10-21","18:00:00",""
"7124011","8.6797","0.0003","9.9588","0.0004","23.9097","0.0009","90","","98.219","0.004","90","","2045.51","0.13","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Liu, Bingxian; Yuan, Yin; Hu, Panjie; zheng, guangfan; Bai, Da-Chang; Chang, Junbiao; Li, Xingwei","Mn(I)-Catalyzed Nucleophilic Addition/Ring Expansion via C-H Activation and C-C Cleavage","Chemical Communications","2019","","","","","10.1039/C9CC05973C","","x-ray","0.71073","MoKα","","0.069","0.0502","","","0.1262","0.1402","","","","","","1.044","","","","has coordinates","217545","2020-10-21","18:00:00",""
"7124012","11.407","0.0009","14.9513","0.0011","31.156","0.003","90","","90","","90","","5313.6","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H61 Cl N2 O2 P2 Pd2 -","- C62 H61 Cl N2 O2 P2 Pd2 -","- C248 H244 Cl4 N8 O8 P8 Pd8 -","4","1","","Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.","Chemical Communications","2019","","","","","10.1039/C9CC05384K","","","0.71073","MoKα","","0.1164","0.078","","","0.1411","0.156","","","","","","1.083","","","","has coordinates","217564","2020-10-21","18:00:00",""
"7124013","23.093","0.0005","8.8734","0.0002","18.7652","0.0004","90","","107.331","0.0009","90","","3670.66","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 O2 P2 S2 -","- C44 H38 O2 P2 S2 -","- C176 H152 O8 P8 S8 -","4","1","","Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.","Chemical Communications","2019","","","","","10.1039/C9CC05384K","","","0.71073","MoKα","","0.089","0.0502","","","0.0997","0.1163","","","","","","1.023","","","","has coordinates","217564","2020-10-21","18:00:00",""
"7124014","9.8394","0.0011","20.038","0.003","22.336","0.002","90","","90","","90","","4403.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H49 N O4 P2 Pd -","- C52 H49 N O4 P2 Pd -","- C208 H196 N4 O16 P8 Pd4 -","4","1","","Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.","Chemical Communications","2019","","","","","10.1039/C9CC05384K","","","0.71073","MoKα","","0.0641","0.0444","","","0.0805","0.0896","","","","","","1.033","","","","has coordinates","217564","2020-10-21","18:00:00",""
"7124015","8.7505","0.0004","20.8649","0.0011","19.0714","0.0009","90","","92.892","0.002","90","","3477.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 O2 P2 S2 -","- C42 H34 O2 P2 S2 -","- C168 H136 O8 P8 S8 -","4","1","","Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.","Chemical Communications","2019","","","","","10.1039/C9CC05384K","","","0.71073","MoKα","","0.1294","0.0611","","","0.1133","0.1423","","","","","","1.021","","","","has coordinates","217564","2020-10-21","18:00:00",""
"7124016","7.3001","0.0002","14.2559","0.0004","22.3731","0.0006","90","","98.949","0.001","90","","2300.01","0.11","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 F3 N4 O5 Re S -","- C23 H16 F3 N4 O5 Re S -","- C92 H64 F12 N16 O20 Re4 S4 -","4","0.5","","Hameed, Yasmeen; Berro, Patrick; Gabidullin, Bulat; Richeson, Darrin","An Integrated Re(I) Photocatalyst/Sensitizer that Activates the Formation of Formic Acid from Reduction of CO2","Chemical Communications","2019","","","","","10.1039/C9CC03943K","","","0.71073","MoKα","","0.0504","0.0325","","","0.0565","0.0602","","","","","","1.073","","","","has coordinates,has disorder","217565","2020-10-21","18:00:00",""
"7124017","14.2178","0.0005","15.0893","0.0004","15.4758","0.0004","101.542","0.002","113.361","0.003","106.394","0.003","2734.4","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C115 H117.5 Br6 Co3 N13.5 O4 -","- C115 H117.5 Br6 Co3 N13.5 O4 -","- C115 H117.5 Br6 Co3 N13.5 O4 -","1","1","","Wang, Kuiyuan; Prior, Timothy J.; Redshaw, Carl","Turning on ROP activity in a bimetallic Co/Zn complex supported by a [2+2] Schiff-base macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC04494A","","","0.71075","MoKα","","0.0804","0.0528","","","0.1179","0.128","","","","","","1.03","","","","has coordinates,has disorder","217566","2020-10-21","18:00:00",""
"7124018","10.7727","0.0003","12.2755","0.0004","21.8766","0.0005","84.154","0.002","88.514","0.002","65.975","0.003","2628.22","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H110 Br8 Co4 N11 O4 -","- C110 H110 Br8 Co4 N11 O4 -","- C110 H110 Br8 Co4 N11 O4 -","1","0.5","","Wang, Kuiyuan; Prior, Timothy J.; Redshaw, Carl","Turning on ROP activity in a bimetallic Co/Zn complex supported by a [2+2] Schiff-base macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC04494A","","","0.71075","MoKα","","0.0783","0.0452","","","0.0846","0.0934","","","","","","1.022","","","","has coordinates","217566","2020-10-21","18:00:00",""
"7124019","10.759","0.0001","12.2903","0.0002","21.8932","0.0003","84.083","0.001","88.463","0.001","66.072","0.002","2631.71","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.25 H55 Br4 N5 O2.25 Zn2 -","- C54.25 H55 Br4 N5 O2.25 Zn2 -","- C108.5 H110 Br8 N10 O4.5 Zn4 -","2","1","","Wang, Kuiyuan; Prior, Timothy J.; Redshaw, Carl","Turning on ROP activity in a bimetallic Co/Zn complex supported by a [2+2] Schiff-base macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC04494A","","","1.54184","CuKα","","0.0302","0.0298","","","0.0795","0.0799","","","","","","1.068","","","","has coordinates","217566","2020-10-21","18:00:00",""
"7124020","10.7788","0.0005","12.2801","0.0006","21.8831","0.001","84.218","0.004","88.62","0.004","66.052","0.004","2633.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.5 H55 Br4 Co1.68 N5.25 O2 Zn0.32 -","- C54.5 H55 Br4 Co1.684 N5.25 O2 Zn0.316 -","- C109 H110 Br8 Co3.368 N10.5 O4 Zn0.632 -","2","1","","Wang, Kuiyuan; Prior, Timothy J.; Redshaw, Carl","Turning on ROP activity in a bimetallic Co/Zn complex supported by a [2+2] Schiff-base macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC04494A","","","0.71073","MoKα","","0.064","0.0342","","","0.066","0.0715","","","","","","0.851","","","","has coordinates","217566","2020-10-21","18:00:00",""
"7124021","22.6868","0.0002","12.6267","0.0001","20.6141","0.0002","90","","103.526","0.001","90","","5741.32","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C242 H251 Br8 Co4 N33 O8 Zn4 -","- C242 H251 Br8 Co4 N33 O8 Zn4 -","- C242 H251 Br8 Co4 N33 O8 Zn4 -","1","0.25","","Wang, Kuiyuan; Prior, Timothy J.; Redshaw, Carl","Turning on ROP activity in a bimetallic Co/Zn complex supported by a [2+2] Schiff-base macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC04494A","","","0.71075","MoKα","","0.0587","0.0466","","","0.1182","0.1276","","","","","","1.025","","","","has coordinates,has disorder","217566","2020-10-21","18:00:00",""
"7124023","14.3137","0.0002","25.3773","0.0002","14.5162","0.0001","90","","106.336","0.001","90","","5060.03","0.09","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 F6 Ir N6 P -","- C54 H38 F6 Ir N6 P -","- C216 H152 F24 Ir4 N24 P4 -","4","1","","Yang, Hai-Bo; Qin, Yi; Chen, Li-Jun; Zhang, Ying; Hu, Yi-Xiong; Jiang, Wei-Ling; Yin, Guang-Qiang; Tan, Hongwei; Li, Xiaopeng; Xu, Lin","Photoswitchable Förster resonance energy transfer (FRET) within a heterometallic Ir-Pt macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC05377H","","x-ray","1.54184","CuKα","","0.0681","0.0641","","","0.1497","0.1522","","","","","","1.114","","","","has coordinates","217589","2020-10-21","18:00:00",""
"7124024","7.8533","0.0002","15.1576","0.0004","19.7612","0.0005","90","","90","","90","","2352.32","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoniazid-D-tartaric acid salt","","- C20 H26 N6 O14 -","- C20 H26 N6 O14 -","- C80 H104 N24 O56 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit","Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate","Chemical Communications","2019","","","","","10.1039/C9CC05687D","","","0.71073","MoKα","","0.0695","0.0631","","","0.1716","0.178","","","","","","1.043","","","","has coordinates","217590","2020-10-21","18:00:00",""
"7124025","7.8825","0.0005","15.1865","0.0009","19.8838","0.0011","90","","90","","90","","2380.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoniazid-D-tartaric acid salt","","- C20 H13 N6 O14 -","- C20 H13 N6 O14 -","- C80 H52 N24 O56 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit","Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate","Chemical Communications","2019","","","","","10.1039/C9CC05687D","","","0.71073","MoKα","","0.0938","0.0837","","","0.2243","0.2369","","","","","","1.173","","","","has coordinates","217590","2020-10-21","18:00:00",""
"7124026","12.409","0.002","7.1753","0.0014","14.653","0.003","90","","113.098","0.01","90","","1200.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isoniazid-DL-tartaric acid salt","","- C10 H13 N3 O7 -","- C10 H13 N3 O7 -","- C40 H52 N12 O28 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit","Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate","Chemical Communications","2019","","","","","10.1039/C9CC05687D","","","0.71073","MoKα","","0.0998","0.0562","","","0.1434","0.1663","","","","","","1.042","","","","has coordinates","217590","2020-10-21","18:00:00",""
"7124027","20.8181","0.0001","27.5594","0.0001","30.1696","0.0002","86.248","0.001","72.999","0.001","81.064","0.001","16348.3","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H70 Cl4 N14 O9 S -","- C67 H70 Cl4 N14 O9 S -","- C536 H560 Cl32 N112 O72 S8 -","8","4","","Zhang, Kai; Ma, Chunmiao; Li, Ning; Lu, Chaocao; Li, Dongyao; Fu, Shitao; Gan, Quan","Quadruple hybridization of quinoline-triazole oligomers","Chemical Communications","2019","","","","","10.1039/C9CC05506A","","","1.54184","CuKα","","0.076","0.0689","","","0.2103","0.2186","","","","","","1.108","","","","has coordinates","217591","2020-10-21","18:00:00",""
"7124028","12.067","0.002","12.25","0.002","13.571","0.003","76.39","0.03","80.68","0.03","65.93","0.03","1775.3","0.7","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H34 Cl2 F N3 O4 S -","- C39 H32 Cl2.25 F N3 O4 S -","- C78 H64 Cl4.5 F2 N6 O8 S2 -","2","1","","Huang, You; Li, Ning; Jia, Penghao","Facile access to highly functionalized hydroisoquinoline deriva-tives via phosphine-catalyzed sequential [3 + 3]/[3 + 3] annulation","Chemical Communications","2019","","","","","10.1039/C9CC05832J","","","0.71073","MoKα","","0.1075","0.0669","","","0.1808","0.2118","","","","","","0.982","","","","has coordinates,has disorder","217592","2020-10-21","18:00:00",""
"7124029","9.6639","0.0006","9.6973","0.0007","23.2323","0.0013","80.701","0.005","89.806","0.005","67.529","0.006","1981.4","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 N3 O4 S -","- C38 H33 N3 O4 S -","- C76 H66 N6 O8 S2 -","2","1","","Huang, You; Li, Ning; Jia, Penghao","Facile access to highly functionalized hydroisoquinoline deriva-tives via phosphine-catalyzed sequential [3 + 3]/[3 + 3] annulation","Chemical Communications","2019","","","","","10.1039/C9CC05832J","","x-ray","0.71073","MoKα","","0.0973","0.0833","","","0.2304","0.2404","","","","","","1.056","","","","has coordinates","217592","2020-10-21","18:00:00",""
"7124030","14.245","0.008","11.239","0.005","9.215","0.005","90","","123.625","0.007","90","","1228.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Li4Sr5[B12O24(OH2)2](IO3)2","Li4Sr5[B12O24(OH2)2](IO3)2","","- B12 H4 I2 Li4 O32 Sr5 -","- B12 H4 I2 Li4 O32 Sr5 -","- B24 H8 I4 Li8 O64 Sr10 -","2","0.25","","Peng, Guang; Lin, Chensheng; Zhao, Dan; Cao, Liling; Fan, Huixin; Chen, Kaichuang; Ye, Ning","Sr[B(OH)4](IO3) and Li4Sr5[B12O22(OH)4](IO3)2: Two Unprecedented Metal Borate-Iodates Showing Subtle Balance of Enlarged Band Gap and Birefringence","Chemical Communications","2019","","","","","10.1039/C9CC05021C","","","0.71073","MoKα","","0.0248","0.022","","","0.0504","0.0513","","","","","","1.098","","","","has coordinates","217593","2020-10-21","18:00:00",""
"7124031","6.595","0.017","6.868","0.016","7.12","0.019","96.73","0.03","108.18","0.02","92.37","0.04","303.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Strontium borate iodide","","- B H4 I O7 Sr -","- B H4 I O7 Sr -","- B2 H8 I2 O14 Sr2 -","2","1","","Peng, Guang; Lin, Chensheng; Zhao, Dan; Cao, Liling; Fan, Huixin; Chen, Kaichuang; Ye, Ning","Sr[B(OH)4](IO3) and Li4Sr5[B12O22(OH)4](IO3)2: Two Unprecedented Metal Borate-Iodates Showing Subtle Balance of Enlarged Band Gap and Birefringence","Chemical Communications","2019","","","","","10.1039/C9CC05021C","","","0.71073","MoKα","","0.0462","0.0395","","","0.0715","0.0757","","","","","","1.101","","","","has coordinates","217593","2020-10-21","18:00:00",""
"7124032","10.7046","0.0008","15.0609","0.0011","12.5922","0.001","90","","99.232","0.002","90","","2003.8","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C100 H76 N4 O20 -","4","1","","Ihmels, Heiko; Dohmen, Christoph; Kreienmeier, Rouven; Patrick, Brian O.","Synthesis of a crystallochromic indolizine dye by a base- and catalyst-free photochemical route","Chemical Communications","2019","","","","","10.1039/C9CC04730A","","x-ray","0.71073","MoKα","","0.0755","0.0471","","","0.1067","0.1203","","","","","","1.009","","","","has coordinates","217621","2020-10-21","18:00:00",""
"7124033","17.7118","0.0014","16.498","0.0016","14.9896","0.0015","90","","111.497","0.007","90","","4075.4","0.7","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C200 H152 N8 O40 -","8","1","","Ihmels, Heiko; Dohmen, Christoph; Kreienmeier, Rouven; Patrick, Brian O.","Synthesis of a crystallochromic indolizine dye by a base- and catalyst-free photochemical route","Chemical Communications","2019","","","","","10.1039/C9CC04730A","","x-ray","1.54178","CuKα","","0.0966","0.0493","","","0.101","0.1185","","","","","","1.015","","","","has coordinates","217621","2020-10-21","18:00:00",""
"7124034","10.8534","0.0004","13.6583","0.0005","12.5256","0.0004","90","","90","","90","","1856.78","0.11","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Saxena, Paridhi; Maida, Neha; Kapur, Manmohan","Dioxazolones as Masked Ester Surrogates in the Pd(II)-Catalyzed Direct C-H Arylation of 6,5-Fused Heterocycles.","Chemical Communications","2019","","","","","10.1039/C9CC05563K","","","0.71073","MoKα","","0.132","0.059","","","0.0986","0.1181","","","","","","1.049","","","","has coordinates","217622","2020-10-21","18:00:00",""
"7124035","9.61551","0.00016","22.9604","0.0003","15.1753","0.0003","90","","105.448","0.0019","90","","3229.3","0.1","95","2","95","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Cl N3 O P2 Ru -","- C32 H46 Cl N3 O P2 Ru -","- C128 H184 Cl4 N12 O4 P8 Ru4 -","4","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","1.54184","CuKα","","0.0499","0.0486","","","0.1315","0.1325","","","","","","1.069","","","","has coordinates,has disorder","217637","2020-10-21","18:00:00",""
"7124036","10.66363","0.00014","11.49601","0.00018","21.7803","0.0003","90","","94.7191","0.0012","90","","2660.98","0.07","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 O P2 Ru -","- C26 H40 N2 O P2 Ru -","- C104 H160 N8 O4 P8 Ru4 -","4","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","0.71073","MoKα","","0.0223","0.0201","","","0.0477","0.0483","","","","","","1.052","","","","has coordinates","217637","2020-10-21","18:00:00",""
"7124037","15.829","0.0002","11.21034","0.00013","17.8393","0.0002","90","","94.5817","0.0012","90","","3155.44","0.06","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 N3 O P2 Ru -","- C32 H45 N3 O P2 Ru -","- C128 H180 N12 O4 P8 Ru4 -","4","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","0.71073","MoKα","","0.0298","0.0248","","","0.0595","0.0613","","","","","","1.033","","","","has coordinates","217637","2020-10-21","18:00:00",""
"7124038","15.5325","0.0003","11.26257","0.00018","18.0248","0.0003","90","","93.8953","0.0015","90","","3145.9","0.09","94","2","94","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 N3 O P2 Ru -","- C32 H45 N3 O P2 Ru -","- C128 H180 N12 O4 P8 Ru4 -","4","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","0.71073","MoKα","","0.0296","0.0249","","","0.0584","0.0599","","","","","","1.037","","","","has coordinates,has disorder","217637","2020-10-21","18:00:00",""
"7124039","8.86132","0.00011","28.0653","0.0003","11.24724","0.00014","90","","98.8474","0.0012","90","","2763.86","0.06","95","2","95","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Cl N2 O P2 Ru -","- C26 H41 Cl N2 O P2 Ru -","- C104 H164 Cl4 N8 O4 P8 Ru4 -","4","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","0.71073","MoKα","","0.0289","0.0265","","","0.0552","0.0557","","","","","","1.175","","","","has coordinates","217637","2020-10-21","18:00:00",""
"7124040","10.94363","0.00016","14.5049","0.0002","19.0279","0.0003","93.9991","0.0012","94.2369","0.0012","98.3955","0.0012","2969.94","0.08","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H172 N8 O4 P8 Ru4 -","- C116 H172 N8 O4 P8 Ru4 -","- C116 H172 N8 O4 P8 Ru4 -","1","0.5","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","0.71073","MoKα","","0.0317","0.0263","","","0.0661","0.068","","","","","","1.047","","","","has coordinates,has disorder","217637","2020-10-21","18:00:00",""
"7124041","16.4591","0.00011","8.0465","0.00005","22.02981","0.00018","90","","108.89","0.0008","90","","2760.44","0.04","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Cl N2 O P2 Ru -","- C26 H41 Cl N2 O P2 Ru -","- C104 H164 Cl4 N8 O4 P8 Ru4 -","4","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","1.54184","CuKα","","0.0614","0.061","","","0.14","0.1409","","","","","","1.117","","","","has coordinates,has disorder","217637","2020-10-21","18:00:00",""
"7124042","12.095","0.0002","12.3732","0.0002","14.4676","0.0002","65.1332","0.0015","67.9561","0.0015","62.8294","0.0017","1701.97","0.05","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 Cl N2 O1.5 P2 Ru -","- C32 H54 Cl N2 O1.5 P2 Ru -","- C64 H108 Cl2 N4 O3 P4 Ru2 -","2","1","","Deolka, Shubham; Tarannam, Naziha; Fayzullin, Robert R.; Kozuch, Sebastian; Khaskin, Eugene","Unusual Rearrangement of Modified PNP Ligand based Ru Complexes Relevant to Alcohol Dehydrogenation Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC06024C","","x-ray","0.71073","MoKα","","0.032","0.0277","","","0.0679","0.0695","","","","","","1.032","","","","has coordinates,has disorder","217637","2020-10-21","18:00:00",""
"7124043","9.6355","0.0001","9.6355","0.0001","32.1835","0.0007","90","","90","","90","","2988.01","0.08","293.37","0.1","293.37","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H4 O4 Zn -","- C8 H4 O4 Zn -","- C128 H64 O64 Zn16 -","16","2","","Yang, Xiao-Gang; Lu, Xiao-Min; Zhai, Zhi-Min; Zhao, Ying; Liu, Xin-Yi; Ma, Lufang; Zang, Shuang-Quan","Facile Synthesis of Micro-Scale MOF Host-Guest with Long-Last Phosphorescence and Enhanced Optoelectronic Performance","Chemical Communications","2019","","","","","10.1039/C9CC05708K","","x-ray","0.71073","MoKα","","0.0666","0.0644","","","0.1565","0.1573","","","","","","1.164","","","","has coordinates","217638","2020-10-21","18:00:00",""
"7124044","28.645","0.002","13.5949","0.0011","14.388","0.0011","90","","108.176","0.003","90","","5323.5","0.7","120","2","119.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 Ag2 Fe N8 O -","- C25 H17 Ag2 Fe N8 O -","- C200 H136 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.0704","0.0466","","","0.1177","0.1296","","","","","","1.048","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124045","28.6573","0.0019","14.3191","0.001","14.5629","0.0009","90","","105.924","0.002","90","","5746.5","0.7","273","2","273.06","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 Ag2 Fe N8 O -","- C25 H17 Ag2 Fe N8 O -","- C200 H136 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.063","0.0388","","","0.1101","0.1236","","","","","","1.061","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124046","27.8418","0.0018","17.5236","0.0014","13.7996","0.0009","67.033","0.002","76.138","0.002","87.708","0.003","6007.6","0.7","188","2","188.12","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H80 Ag8 Fe4 N32 O4 -","- C124 H80 Ag8 Fe4 N32 O4 -","- C248 H160 Ag16 Fe8 N64 O8 -","2","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.2182","0.0798","","","0.1207","0.1531","","","","","","1.023","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124047","28.695","0.003","13.6288","0.001","14.3844","0.001","90","","107.917","0.004","90","","5352.6","0.8","120","2","120.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Ag2 Fe N8 O -","- C30 H18 Ag2 Fe N8 O -","- C240 H144 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.0922","0.0786","","","0.1784","0.1853","","","","","","1.101","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124048","20.3664","0.0013","28.302","0.003","13.7232","0.0009","90","","131.844","0.002","90","","5892.8","0.8","150","2","150.21","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Ag2 Fe N8 O -","- C31 H20 Ag2 Fe N8 O -","- C248 H160 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.0656","0.0344","","","0.0524","0.0589","","","","","","1.017","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124049","21.0563","0.0012","28.9371","0.0017","14.1011","0.0014","90","","131.415","0.001","90","","6443.4","0.8","298","2","298.07","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Ag2 Fe N8 O -","- C31 H20 Ag2 Fe N8 O -","- C248 H160 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.0939","0.0531","","","0.1157","0.1311","","","","","","1.092","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124050","15.515","0.0019","17.552","0.002","13.9024","0.0016","67.038","0.004","90.558","0.004","64.872","0.004","3085.4","0.7","211","2","211.16","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H40 Ag4 Fe2 N16 O2 -","- C62 H40 Ag4 Fe2 N16 O2 -","- C124 H80 Ag8 Fe4 N32 O4 -","2","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.1571","0.104","","","0.2601","0.2843","","","","","","1.096","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124051","28.679","0.004","14.1905","0.0017","14.549","0.0015","90","","105.919","0.006","90","","5693.9","1.2","298","2","298.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Ag2 Fe N8 O -","- C30 H18 Ag2 Fe N8 O -","- C240 H144 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.1255","0.079","","","0.2252","0.2636","","","","","","1.055","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124052","20.8653","0.0012","28.7182","0.0018","13.9679","0.0008","90","","131.492","0.002","90","","6269.4","0.7","239","2","239.11","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Ag2 Fe N8 O -","- C31 H20 Ag2 Fe N8 O -","- C248 H160 Ag16 Fe8 N64 O8 -","8","1","","Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest","Chemical Communications","2019","","","","","10.1039/C9CC06017K","","","0.71073","MoKα","","0.1076","0.0672","","","0.1299","0.143","","","","","","1.148","","","","has coordinates","217639","2020-10-21","18:00:00",""
"7124053","12.8863","0.0001","12.8863","0.0001","13.2102","0.0003","90","","90","","90","","2193.64","0.06","100","0.1","100","0.1","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C7 H4 N O3 Zn -","- C7 H4 N O3 Zn1.0005 -","- C56 H32 N8 O24 Zn8.004 -","8","1","","Cui, Yuanjing; Yue, Dan; Huang, YiKe; Zhang, Jun; Wang, Zhiyu; Yang, Deren; Qian, Guodong","Photo-Induced Electron Transfer in Metal-Organic Framework: A new Approach Towards highly sensitive luminescent probe of Fe3+","Chemical Communications","2019","","","","","10.1039/C9CC05019A","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0955","0.0968","","","","","","1.09","","","","has coordinates,has disorder","217640","2020-10-21","18:00:00",""
"7124054","6.1589","0.0002","10.7744","0.0003","13.0636","0.0004","104.09","0.001","93.658","0.001","95.647","0.001","833.25","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","JK-494","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C38 H46 N6 O2 -","2","2","","Küppers, Jim; Benkel, Tobias; Annala, Suvi; Schnakenburg, Gregor; Kostenis, Evi; Gütschow, Michael","BIM-46174 fragments as potential ligands of G proteins","MedChemComm","2019","10","10","1838","","10.1039/C9MD00269C","","x-ray","1.54178","CuKα","","0.0399","0.0367","","","0.0915","0.0936","","","","","","1.063","","","","has coordinates","224639","2020-10-21","18:00:00",""
"7124055","10.1349","0.0013","10.2908","0.0014","19.54","0.003","88.001","0.004","82.013","0.004","86.808","0.004","2014.3","0.5","302","2","302","2","","","","","","","","4","P -1","-P 1","2","ORGANIC","","","- C26 H19 Cl N2 -","- C26 H19 Cl N2 -","- C104 H76 Cl4 N8 -","4","2","","Joshi, Abhisek; Semwal, Rashmi; Suresh, Eringathodi; Adimurthy, Subbarayappa","Pd-Catalyzed regioselective synthesis of 2,6-disubstituted pyridines through denitrogenation of pyridotriazoles and 3,8-diarylation of imidazo[1,2-a]pyridines","Chemical Communications","2019","","","","","10.1039/C9CC05953A","","","0.71073","MoKα","","0.132","0.0478","","","0.1138","0.1378","","","","","","1.017","","","","has coordinates","217657","2020-10-21","18:00:00",""
"7124056","6.9092","0.0001","10.1436","0.0001","19.7001","0.0001","90","","90","","90","","1380.66","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3R,3aS)-2-(4-nitrophenyl)-3,3a-dihydro-2H-cyclohepta[b]thiophene-3-carbaldehyde","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C64 H52 N4 O12 S4 -","4","1","","Frankowski, Sebastian; Skrzynska, Anna; Albrecht, Lukasz","Inverting the reactivity of troponoid system in the enantioselective higher-order cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05638F","","x-ray","1.54184","CuKα","","0.0192","0.0192","","","0.0483","0.0483","","","","","","1.1","","","","has coordinates","217685","2020-10-21","18:00:00",""
"7124057","10.2822","0.0001","14.2079","0.0001","27.667","0.0001","90","","100.257","0.001","90","","3977.24","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2S*,3R*,3aS*,6S*,11aR*)-8,10-dioxo-2,9-diphenyl-3,3a,6,8,9,10-hexahydro-2H-6,11a-ethenothieno[2,3-c][1,2,4]triazolo[1,2-a][1,2]diazepine-3-carbaldehyde","","- C24 H19 N3 O3 S -","- C24 H19 N3 O3 S -","- C192 H152 N24 O24 S8 -","8","2","","Frankowski, Sebastian; Skrzynska, Anna; Albrecht, Lukasz","Inverting the reactivity of troponoid system in the enantioselective higher-order cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05638F","","x-ray","1.54184","CuKα","","0.0336","0.0332","","","0.0834","0.0836","","","","","","1.074","","","","has coordinates,has disorder","217685","2020-10-21","18:00:00",""
"7124058","10.0716","0.0003","12.9698","0.0004","15.7503","0.0004","91.289","0.002","95.804","0.001","90.059","0.002","2046.33","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H37 Br O2 -","- C58 H37 Br O2 -","- C116 H74 Br2 O4 -","2","1","","Hamura, Toshiyuki; Kitamura, Kei; Asahina, Kenta; Adachi, Kazuhiko","Intramolecular benzoallene‒alkyne cycloaddition initiated by site-selective SN2’ reaction of epoxytetracene en route to π-extended pyracylene","Chemical Communications","2019","","","","","10.1039/C9CC05500B","","","1.54186","CuKα","","0.2","0.1076","","","0.2301","0.3081","","","","","","0.916","","","","has coordinates","217702","2020-10-21","18:00:00",""
"7124059","10.264","0.005","14.861","0.008","24.721","0.011","92.409","0.006","91.727","0.007","104.223","0.007","3649","3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H27 Cl -","- C50 H27 Cl -","- C200 H108 Cl4 -","4","2","","Hamura, Toshiyuki; Kitamura, Kei; Asahina, Kenta; Adachi, Kazuhiko","Intramolecular benzoallene‒alkyne cycloaddition initiated by site-selective SN2’ reaction of epoxytetracene en route to π-extended pyracylene","Chemical Communications","2019","","","","","10.1039/C9CC05500B","","","0.71075","MoKα","","0.0945","0.0666","","","0.2024","0.2493","","","","","","1.07","","","","has coordinates","217702","2020-10-21","18:00:00",""
"7124060","8.7596","0.001","9.7743","0.0019","11.1698","0.0019","89.02","0.015","76.945","0.012","68.226","0.015","862.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 F6 N2 O -","- C17 H18 F6 N2 O -","- C34 H36 F12 N4 O2 -","2","1","","Wang, Hongyu; Man, Yunquan; Xiang, Yanan; Wang, Kaiye; Li, Na; Tang, Bo","Regioselective Intramolecular Markovnikov and Anti-Markovnikov Hydrofunctionalization of Alkenes via Photoredox Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC05902D","","","1.54184","CuKα","","0.1104","0.0858","","","0.2326","0.2588","","","","","","1.038","","","","has coordinates","217729","2020-10-21","18:00:00",""
"7124061","9.8103","0.0017","21.4003","0.0018","9.3414","0.001","90","","115.226","0.017","90","","1774.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F6 N2 O -","- C17 H18 F6 N2 O -","- C68 H72 F24 N8 O4 -","4","1","","Wang, Hongyu; Man, Yunquan; Xiang, Yanan; Wang, Kaiye; Li, Na; Tang, Bo","Regioselective Intramolecular Markovnikov and Anti-Markovnikov Hydrofunctionalization of Alkenes via Photoredox Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC05902D","","","1.54184","CuKα","","0.0943","0.0656","","","0.1826","0.2148","","","","","","1.042","","","","has coordinates","217729","2020-10-21","18:00:00",""
"7124062","9.9782","0.0002","10.9927","0.0002","11.6441","0.0002","97.3475","0.0016","91.005","0.0017","112.494","0.002","1167.27","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 F3 O5 -","- C28 H21 F3 O5 -","- C56 H42 F6 O10 -","2","1","","O'Brien, Luke; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai","Rhodium-catalyzed arylative cyclization of alkynyl malonates by 1,4-rhodium(I) migration","Chemical Communications","2019","","","","","10.1039/C9CC05205D","","x-ray","1.54184","CuKα","","0.036","0.0347","","","0.0903","0.0913","","","","","","1.037","","","","has coordinates","217730","2020-10-21","18:00:00",""
"7124063","18.6721","0.0004","18.6721","0.0004","52.02","0.002","90","","90","","120","","15706.8","0.8","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C36 H18 Cu2 N0 O10 -","- C35 H18 Cu2 O10 -","- C315 H162 Cu18 O90 -","9","0.25","","Shao, Kai; Pei, Jiyan; Wang, Jia-Xin; Yu, Yang; Cui, Yuanjing; Zhou, Wei; Yildirim, Taner; Li, Bin; Chen, Banglin; Qian, Guodong","Tailoring pore geometry and chemistry in microporous metal‒organic frameworks for high methane storage working capacity","Chemical Communications","2019","","","","","10.1039/C9CC06239D","","","0.71073","MoKα","","0.0725","0.0578","","","0.1881","0.208","","","","","","1.059","","","","has coordinates,has disorder","217731","2020-10-21","18:00:00",""
"7124064","20.4515","0.0007","6.5902","0.0001","16.4904","0.0005","90","","115.808","0.0014","90","","2000.89","0.1","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","ACS-953.T9_150K","","","- C21 H23 Br N2 O5 -","- C21 H23 Br N2 O5 -","- C84 H92 Br4 N8 O20 -","4","1","","Casado-Sanchez, Antonio; Domingo-Legarda, Pablo; Cabrera, Silvia; Aleman, Jose","Visible Light Photocatalytic Asymmetric Synthesis of Pyrrolo[1,2-a]indoles via Intermolecular [3+2] Cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05838A","","","0.71073","MoKα","","0.0334","0.0266","","","0.0496","0.0622","","","","","","1.102","","","","has coordinates","217794","2020-10-21","18:00:00",""
"7124065","14.3365","0.0002","16.9978","0.0003","21.8178","0.0003","99.6885","0.0012","106.993","0.0012","99.97","0.0012","4870.76","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C113 H115 N9 -","- C113 H115 N9 -","- C226 H230 N18 -","2","1","","Song, Jianxin; Wu, Tongjing; Kim, Taeyeon; Yin, Bangshao; Wang, Kaisheng; Xu, Ling; Zhou, Mingbo; Kim, Dongho","Carbazole-Containing Porphyrinoid and its Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06114B","","x-ray","1.54184","CuKα","","0.0748","0.0605","","","0.1714","0.1829","","","","","","1.05","","","","has coordinates","217795","2020-10-21","18:00:00",""
"7124066","25.7916","0.0008","12.9587","0.0003","36.562","0.0011","90","","106.236","0.003","90","","11732.6","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H110 N8 O2 Zn2 -","- C108 H110 N8 O2 Zn2 -","- C432 H440 N32 O8 Zn8 -","4","1","","Song, Jianxin; Wu, Tongjing; Kim, Taeyeon; Yin, Bangshao; Wang, Kaisheng; Xu, Ling; Zhou, Mingbo; Kim, Dongho","Carbazole-Containing Porphyrinoid and its Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06114B","","x-ray","1.54184","CuKα","","0.0951","0.0598","","","0.1464","0.162","","","","","","0.888","","","","has coordinates","217795","2020-10-21","18:00:00",""
"7124067","14.3716","0.0002","16.9373","0.0002","21.8677","0.0002","99.8281","0.001","106.821","0.0013","100.542","0.0012","4865.71","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H50 N4 Pd -","- C52 H50 N4 Pd -","- C208 H200 N16 Pd4 -","4","2","","Song, Jianxin; Wu, Tongjing; Kim, Taeyeon; Yin, Bangshao; Wang, Kaisheng; Xu, Ling; Zhou, Mingbo; Kim, Dongho","Carbazole-Containing Porphyrinoid and its Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06114B","","x-ray","1.54184","CuKα","","0.0545","0.0492","","","0.1336","0.1382","","","","","","1.073","","","","has coordinates","217795","2020-10-21","18:00:00",""
"7124068","15.7517","0.0007","9.3641","0.0003","17.765","0.0007","90","","90","","90","","2620.35","0.18","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N O S2 -","- C16 H9 N O S2 -","- C128 H72 N8 O8 S16 -","8","1","","Song, Jianxin; Wu, Tongjing; Kim, Taeyeon; Yin, Bangshao; Wang, Kaisheng; Xu, Ling; Zhou, Mingbo; Kim, Dongho","Carbazole-Containing Porphyrinoid and its Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06114B","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.085","0.0933","","","","","","1.023","","","","has coordinates","217795","2020-10-21","18:00:00",""
"7124069","5.8755","0.0008","9.7514","0.0014","23.346","0.003","90","","96.573","0.002","90","","1328.8","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H29 N O2 S -","- C32 H29 N O2 S -","- C64 H58 N2 O4 S2 -","2","1","","Zhou, Ming-Bo; Pi, Rui; Teng, Fan; Li, Yang; Li, Jin-Heng","Ring-Opening Formal Hetero-[5+2] Cycloaddition of 1-Tosyl-2,3-dihydro-1H-pyrroles pyrroles with Terminal Alkynes: Entry to 1-Tosyl-2,3-dihydro 2,3-Dihydro-1H-azepines","Chemical Communications","2019","","","","","10.1039/C9CC05082E","","","0.71073","MoKα","","0.0485","0.0398","","","0.0967","0.1017","","","","","","1.031","","","","has coordinates","217796","2020-10-21","18:00:00",""
"7124070","6.17133","0.00016","14.8909","0.0005","22.8926","0.0007","90","","90","","90","","2103.75","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F N2 O4 S -","- C23 H21 F N2 O4 S -","- C92 H84 F4 N8 O16 S4 -","4","1","","Zeng, Guangkuo; Li, Yunqiang; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Photoredox Asymmetric Catalytic Enantioconvergent Substitution of 3-Chlorooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC05304B","","x-ray","1.54184","CuKα","","0.0657","0.048","","","0.1044","0.1137","","","","","","1.061","","","","has coordinates,has disorder","217797","2020-10-21","18:00:00",""
"7124071","26.455","0.002","6.3246","0.0002","14.0068","0.0009","90","","109.467","0.009","90","","2209.6","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H42 Br2 F6 N4 O5 -","- C48 H42 Br2 F6 N4 O5 -","- C96 H84 Br4 F12 N8 O10 -","2","0.5","","Zeng, Guangkuo; Li, Yunqiang; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Photoredox Asymmetric Catalytic Enantioconvergent Substitution of 3-Chlorooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC05304B","","x-ray","1.54184","CuKα","","0.0481","0.0422","","","0.107","0.1114","","","","","","1.067","","","","has coordinates","217797","2020-10-21","18:00:00",""
"7124072","10.62565","0.00016","10.62565","0.00016","43.3437","0.0017","90","","90","","90","","4893.7","0.2","293.9","0.3","293.9","0.3","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H24 Cl N3 O4 -","- C27 H24 Cl N3 O4 -","- C216 H192 Cl8 N24 O32 -","8","1","","Zhu, Hong-Ping; Xie, Ke; He, Xiang-Hong; Huang, Wei; Zeng, Rong; Fan, Yang; Peng, Cheng; He, Gu; Han, Bo","Organocatalytic Diastereoselective [3+2] Cyclization of MBH Carbonates with Dinucleophiles: Synthesis of Bicyclic Imidazoline Derivatives that Inhibit MDM2-p53 Interaction","Chemical Communications","2019","","","","","10.1039/C9CC05916D","","x-ray","1.54184","CuKα","","0.0682","0.0647","","","0.1701","0.1743","","","","","","1.085","","","","has coordinates","217798","2020-10-21","18:00:00",""
"7124073","56.145","0.002","7.4648","0.0002","17.3511","0.0012","90","","108.14","0.008","90","","6910.6","0.7","100","","100","","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C132 H118 -","- C132 H118 -","- C264 H236 -","2","0.5","","Wada, Yuya; Shinohara, Ken-ichi; Ikai, Tomoyuki","Optically active triptycenes containing hexa-peri-hexabenzocoronene units","Chemical Communications","2019","","","","","10.1039/C9CC06025A","","","0.71075","MoKα","","0.1295","0.0907","","","0.2418","0.2684","","","","","","1.073","","","","has coordinates","217799","2020-10-21","18:00:00",""
"7124074","5.8598","0.0009","6.8679","0.001","17.032","0.003","92.38","0.007","94.987","0.007","108.87","0.006","644.38","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B2 Cl4 N2 -","- C24 H26 B2 Cl4 N2 -","- C24 H26 B2 Cl4 N2 -","1","0.5","","Morgan, Matthew M.; Nazari, Maryam; Pickl, Thomas; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Welch, Gregory C.; Gelfand, Benjamin S.","Boron‒nitrogen substituted dihydroindeno[1,2-b]fluorene derivatives as acceptors in organic solar cells","Chemical Communications","2019","","","","","10.1039/C9CC05103A","","","0.71073","MoKα","","0.1213","0.0804","","","0.1887","0.2176","","","","","","1.002","","","","has coordinates","217800","2020-10-21","18:00:00",""
"7124075","9.0824","0.0004","22.2704","0.001","10.3537","0.0004","90","","90.631","0.004","90","","2094.1","0.15","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 B F6 N -","- C24 H17 B F6 N -","- C96 H68 B4 F24 N4 -","4","1","","Morgan, Matthew M.; Nazari, Maryam; Pickl, Thomas; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Welch, Gregory C.; Gelfand, Benjamin S.","Boron‒nitrogen substituted dihydroindeno[1,2-b]fluorene derivatives as acceptors in organic solar cells","Chemical Communications","2019","","","","","10.1039/C9CC05103A","","","1.54178","CuKα","","0.0874","0.0787","","","0.2218","0.2292","","","","","","1.12","","","","has coordinates","217800","2020-10-21","18:00:00",""
"7124076","7.7891","0.0011","9.8407","0.0014","19.664","0.003","90","","90.909","0.005","90","","1507.1","0.4","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H0.12 F3 N3 -","- C8 H2 F3 N3 -","- C64 H16 F24 N24 -","8","1","","Yuan, Lin; Xiang, Zhen; Zhi-Yao, Wang; Ren, Tian-Bing; Wang, Xu; Liu, Yupeng; Zhang, Xingxing; Wu, Peng; Zhang, Xiaobing","A General Strategy for Development of Single Benzene Fluorophore with Full-color-tunable, Environmentally Insensitive, and Two-photon Solid-State Emission","Chemical Communications","2019","","","","","10.1039/C9CC06260B","","","0.71073","MoKα","","0.1052","0.0637","","","0.1328","0.1512","","","","","","1.098","","","","has coordinates","217846","2020-10-21","18:00:00",""
"7124077","12.3349","0.0006","7.6871","0.0004","12.6994","0.0006","90","","96.325","0.005","90","","1196.82","0.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F2 N4 -","- C12 H12 F2 N4 -","- C48 H48 F8 N16 -","4","1","","Yuan, Lin; Xiang, Zhen; Zhi-Yao, Wang; Ren, Tian-Bing; Wang, Xu; Liu, Yupeng; Zhang, Xingxing; Wu, Peng; Zhang, Xiaobing","A General Strategy for Development of Single Benzene Fluorophore with Full-color-tunable, Environmentally Insensitive, and Two-photon Solid-State Emission","Chemical Communications","2019","","","","","10.1039/C9CC06260B","","x-ray","0.71073","MoKα","","0.0669","0.045","","","0.1102","0.1243","","","","","","1.032","","","","has coordinates","217846","2020-10-21","18:00:00",""
"7124078","11.5133","0.0001","9.1527","0.0001","6.6726","0.0001","90","","90","","90","","703.144","0.014","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","claringbullite","","- Cl Cu4 F O6 -","- Cl Cu4 F O6 -","- Cl4 Cu16 F4 O24 -","4","0.5","","Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo","Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite","Chemical Communications","2019","","","","","10.1039/C9CC04930D","","","0.41328","Synchrotron","","0.0943","0.0706","","0.0712","0.0694","0.0712","","","","","","1.0597","","","","has coordinates","217847","2020-10-21","18:00:00",""
"7124079","6.672572","0.000019","6.672572","","9.18014","0.000033","90","","90","","120","","353.97","0.0016","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","claringbullite","","- Cl Cu4 F H6 O6 -","- Cl Cu3.99999 F H6 O6 -","- Cl2 Cu7.99998 F2 H12 O12 -","2","0.0833333","","Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo","Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite","Chemical Communications","2019","","","","","10.1039/C9CC04930D","powder diffraction","x-ray","0.414545","synchrotron","","","","","","","","0.09438","","1.65","","","","","","","has coordinates","217847","2020-10-21","18:00:00",""
"7124080","6.675463","0.000015","6.675463","","9.2989","0.000023","90","","90","","120","","358.86","0.0012","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- Br Cu4 F H6 O6 -","- Br Cu3.99999 F H6 O6 -","- Br2 Cu7.99998 F2 H12 O12 -","2","0.0833333","","Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo","Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite","Chemical Communications","2019","","","","","10.1039/C9CC04930D","powder diffraction","x-ray","0.414545","synchrotron","","","","","","","","0.10554","","1.8","","","","","","","has coordinates","217847","2020-10-21","18:00:00",""
"7124081","9.9331","0.0002","7.244","0.0001","10.5483","0.0002","90","","108.156","0.002","90","","721.22","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O Si -","- C15 H21 N O Si -","- C30 H42 N2 O2 Si2 -","2","1","","Li, Chen; Wang, Ting; Li, Ni; Li, Min; Li, Yuntao; Sun, Yan; Tian, Yang; Zhu, Junru; Wu, Yiqian; Zhang, Dazhi; Cui, Xiaoyan","Si-coumarin of hydrogen-bonding induced bathochromic effect for monitoring adipogenic differentiation","Chemical Communications","2019","","","","","10.1039/C9CC05895H","","x-ray","1.54184","CuKα","","0.0397","0.0394","","","0.1052","0.1054","","","","","","1.073","","","","has coordinates","217848","2020-10-21","18:00:00",""
"7124082","17.1449","0.0007","9.2946","0.0003","26.363","0.001","90","","92.964","0.001","90","","4195.5","0.3","120","2","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 F3 N5 O3 Pt S -","- C18 H16 F3 N5 O3 Pt S -","- C144 H128 F24 N40 O24 Pt8 S8 -","8","1","","Yang, Jing; Sun, Lili; Hao, Liang; Yang, Gang-Gang; Zou, Zhi-Cong; Cao, Qian; Ji, Liang-Nian; Mao, Zong-Wan","A halogen ion-selective phosphorescence turn-on probe based on induction of Pt‒Pt interactions","Chemical Communications","2019","","","","","10.1039/C9CC05093K","","","0.71073","MoKα","","0.0348","0.0271","","","0.0628","0.0651","","","","","","1.043","","","","has coordinates,has disorder","217849","2020-10-21","18:00:00",""
"7124083","3.6808","0.0001","15.8713","0.0006","18.2288","0.0006","90","","90","","90","","1064.91","0.06","100","2","100","","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C21 H16 Cl N3 Pt -","- C21 H16 Cl N3 Pt -","- C42 H32 Cl2 N6 Pt2 -","2","0.25","","Yang, Jing; Sun, Lili; Hao, Liang; Yang, Gang-Gang; Zou, Zhi-Cong; Cao, Qian; Ji, Liang-Nian; Mao, Zong-Wan","A halogen ion-selective phosphorescence turn-on probe based on induction of Pt‒Pt interactions","Chemical Communications","2019","","","","","10.1039/C9CC05093K","","","1.54178","CuKα","","0.0636","0.0634","","","0.188","0.1882","","","","","","1.164","","","","has coordinates,has disorder","217849","2020-10-21","18:00:00",""
"7124084","7.9396","0.001","19.416","0.002","11.7318","0.0011","90","","90","","90","","1808.5","0.3","100.93","","100.93","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tetrabenzo[5,7]fulvalene","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","0.5","","Crocker, Reece Douglas; Zhang, Bolong; Pace, Domenic Paul; Wong, Wallace Wing Ho; Nguyen, Thanh Vinh","Tetrabenzo[5.7]Fulvalene: A Forgotten Aggregation Induced-Emission Luminogen","Chemical Communications","2019","","","","","10.1039/C9CC06289K","","","0.71073","MoKα","","0.0494","0.0386","","","0.0879","0.0952","","","","","","1.084","","","","has coordinates","217850","2020-10-21","18:00:00",""
"7124085","13.4718","0.0009","10.6218","0.0006","22.1687","0.0012","90","","100.82","0.0018","90","","3115.8","0.3","107","","107.26","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 B F2 N3 P2 -","- C37 H34 B F2 N3 P2 -","- C148 H136 B4 F8 N12 P8 -","4","1","","Thompson, Brena L.; Simons, Casey R.; Heiden, Zachariah M.","Redox Switchable Catalysis Utilizing a Fluorescent Dye","Chemical Communications","2019","","","","","10.1039/C9CC05836B","","","0.71076","MoKα","","0.05","0.0373","","","0.081","0.0876","","","","","","1.053","","","","has coordinates","217851","2020-10-21","18:00:00",""
"7124086","11.0246","0.0006","11.1262","0.0006","18.8022","0.001","104.849","0.0016","92.7741","0.0017","90.2091","0.0017","2226.4","0.2","107","","107","","","","","","","","","8","P -1","-P 1","2","","","","- C46.5 H50 B2 Cl3 F6 N3 P2 Rh -","- C46.5 H50 B2 Cl3 F6 N3 P2 Rh -","- C93 H100 B4 Cl6 F12 N6 P4 Rh2 -","2","1","","Thompson, Brena L.; Simons, Casey R.; Heiden, Zachariah M.","Redox Switchable Catalysis Utilizing a Fluorescent Dye","Chemical Communications","2019","","","","","10.1039/C9CC05836B","","","0.71073","MoKα","","0.0553","0.0377","","","0.0773","0.0834","","","","","","1.043","","","","has coordinates,has disorder","217851","2020-10-21","18:00:00",""
"7124087","10.4","0.0012","14.4623","0.0017","30.3","0.004","90","","97.551","0.002","90","","4517.8","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H96 Cu7 N24 Na0 O54 Ta12 -","- C24 H96 Cu7 N24 O54 Ta12 -","- C48 H192 Cu14 N48 O108 Ta24 -","2","0.5","","Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water","Chemical Communications","2019","","","","","10.1039/C9CC05884B","","","0.71073","MoKα","","0.0995","0.052","","","0.0999","0.1171","","","","","","0.999","","","","has coordinates","217884","2020-10-21","18:00:00",""
"7124088","13.8976","0.0009","14.5477","0.0009","15.7824","0.001","79.5988","0.0015","66.38","0.0013","67.5801","0.0013","2701.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H76 Cu5 N16 Na4 O70 Ta12 -","- C24 H76 Cu5 N16 Na4 O70 Ta12 -","- C24 H76 Cu5 N16 Na4 O70 Ta12 -","1","0.5","","Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water","Chemical Communications","2019","","","","","10.1039/C9CC05884B","","","0.71073","MoKα","","0.0717","0.049","","","0.1253","0.1366","","","","","","1.019","","","","has coordinates","217884","2020-10-21","18:00:00",""
"7124089","12.9552","0.0016","15.3682","0.0019","16.483","0.002","65.831","0.002","84.959","0.002","66.77","0.002","2740.7","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H60 Cu4 N12 Na4 O61 Ta12 -","- C18 H60 Cu4 N12 Na4 O61 Ta12 -","- C18 H60 Cu4 N12 Na4 O61 Ta12 -","1","0.5","","Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water","Chemical Communications","2019","","","","","10.1039/C9CC05884B","","","0.71073","MoKα","","0.0767","0.0483","","","0.1366","0.1483","","","","","","1.008","","","","has coordinates","217884","2020-10-21","18:00:00",""
"7124090","15.6559","0.0011","19.7079","0.0014","14.941","0.001","90","","94.207","0.001","90","","4597.5","0.6","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H64 Cu5 N16 Na4 O59 Ta12 -","- C16 H64 Cu5 N16 Na4 O59 Ta12 -","- C32 H128 Cu10 N32 Na8 O118 Ta24 -","2","0.25","","Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water","Chemical Communications","2019","","","","","10.1039/C9CC05884B","","","0.71073","MoKα","","0.0349","0.0301","","","0.0797","0.0817","","","","","","1.078","","","","has coordinates","217884","2020-10-21","18:00:00",""
"7124091","13.1771","0.0015","14.1882","0.0015","15.5444","0.0017","92.667","0.002","100.54","0.002","110.664","0.002","2653.8","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H64 Cu5 N16 Na4 O68 Ta12 -","- C16 H64 Cu5 N16 Na4 O68 Ta12 -","- C16 H64 Cu5 N16 Na4 O68 Ta12 -","1","0.5","","Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water","Chemical Communications","2019","","","","","10.1039/C9CC05884B","","","0.71073","MoKα","","0.0691","0.0489","","","0.1373","0.1463","","","","","","1.078","","","","has coordinates","217884","2020-10-21","18:00:00",""
"7124092","27.114","0.005","27.532","0.005","18.723","0.004","90","","129.823","0.002","90","","10735","4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H80 Cu7 N20 O52 Ta12 -","- C20 H80 Cu7 N20 O52 Ta12 -","- C80 H320 Cu28 N80 O208 Ta48 -","4","0.5","","Li, Zhong; Zhang, Jing; Lin, Li-Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Inorganic-Organic Hybrid High-dimensional Polyoxotantalates and Their Structural Transformations Triggered by Water","Chemical Communications","2019","","","","","10.1039/C9CC05884B","","","0.71073","MoKα","","0.0786","0.043","","","0.0932","0.1022","","","","","","0.998","","","","has coordinates","217884","2020-10-21","18:00:00",""
"7124093","8.3327","0.0003","8.624","0.0004","14.4874","0.0006","75.4","0.002","76.174","0.002","76.504","0.002","961.52","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cl2 N2 O8 Rh2 -","- C36 H56 Cl2 N2 O8 Rh2 -","- C36 H56 Cl2 N2 O8 Rh2 -","1","0.5","","Parveen, Shahida; Hanif, Muhammad; Leung, Euphemia; Tong, Kelvin; Yang, Annie; Astin, Jonathan; De Zoysa , Gayan Heruka; Steel , Tasha R.; Goodman, David; Movassaghi, Sanam; Soehnel, Tilo; Sarojini, Vijayalekshmi; Jamieson, Stephen; Hartinger, Christian","Anticancer Organorhodium and -iridium Complexes with Low Toxicity in vivo but High Potency in vitro: DNA Damage, Reactive Oxygen Species Formation, and Haemolytic Activity","Chemical Communications","2019","","","","","10.1039/C9CC03822A","","x-ray","0.71073","MoKα","","0.0391","0.0335","","","0.0787","0.0819","","","","","","1.058","","","","has coordinates","217885","2020-10-21","18:00:00",""
"7124094","7.8857","0.0002","14.3838","0.0003","17.7206","0.0004","90","","97.4552","0.0014","90","","1992.99","0.08","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Cl2 Ir2 N2 O6 -","- C38 H56 Cl2 Ir2 N2 O6 -","- C76 H112 Cl4 Ir4 N4 O12 -","2","0.5","","Parveen, Shahida; Hanif, Muhammad; Leung, Euphemia; Tong, Kelvin; Yang, Annie; Astin, Jonathan; De Zoysa , Gayan Heruka; Steel , Tasha R.; Goodman, David; Movassaghi, Sanam; Soehnel, Tilo; Sarojini, Vijayalekshmi; Jamieson, Stephen; Hartinger, Christian","Anticancer Organorhodium and -iridium Complexes with Low Toxicity in vivo but High Potency in vitro: DNA Damage, Reactive Oxygen Species Formation, and Haemolytic Activity","Chemical Communications","2019","","","","","10.1039/C9CC03822A","","x-ray","0.71073","MoKα","","0.0415","0.0311","","","0.0643","0.068","","","","","","1.057","","","","has coordinates,has disorder","217885","2020-10-21","18:00:00",""
"7124095","12.2047","0.0002","4.9246","0.0001","14.6571","0.0003","90","","110.442","0.001","90","","825.46","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Lu, Jian; Luo, Ling-Shan; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Copper-catalyzed enantioselective alkynylation of pyrazole-4,5-diones with terminal alkynes","Chemical Communications","2019","","","","","10.1039/C9CC05252F","","","1.54178","CuKα","","0.0315","0.0312","","","0.0859","0.0865","","","","","","1.076","","","","has coordinates","217922","2020-10-21","18:00:00",""
"7124096","11.03561","0.00015","15.2027","0.0002","15.7225","0.0002","90","","93.7852","0.0012","90","","2632.03","0.06","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","KPtMe10CB[5]","","- C20 H24 Cl3 K N10 O5.73 Pt0.5 -","- C20 H24 Cl3 K N10 O5.728 Pt0.5 -","- C80 H96 Cl12 K4 N40 O22.912 Pt2 -","4","1","","Chen, Ruru; Cao, Minna; Wang, Jin-Yun; Li, Hongfang; Cao, Rong","Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient Electrocatalysts for Oxygen Reduction Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05899K","","","1.54184","CuKα","","0.0421","0.0399","","","0.1179","0.1207","","","","","","1.094","","","","has coordinates,has disorder","217923","2020-10-21","18:00:00",""
"7124097","14.84367","0.00018","16.62572","0.00018","22.0332","0.0003","90","","93.4334","0.0011","90","","5427.74","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","CsPtMe10CB[5]","","","- C40 H50 Cl6 Cs2 N20 O11 Pt -","- C40 H50 Cl6 Cs2 N20 O11 Pt -","- C160 H200 Cl24 Cs8 N80 O44 Pt4 -","4","0.5","","Chen, Ruru; Cao, Minna; Wang, Jin-Yun; Li, Hongfang; Cao, Rong","Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient Electrocatalysts for Oxygen Reduction Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05899K","","","0.71073","MoKα","","0.0361","0.0272","","","0.0514","0.0557","","","","","","1.059","","","","has coordinates","217923","2020-10-21","18:00:00",""
"7124098","11.076","0.0001","15.1322","0.0002","15.9211","0.0002","90","","92.659","0.001","90","","2665.57","0.05","173","2","173.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","NaPtMe10CB[5]","","","- C40 H50 Cl6 N20 Na2 O13 Pt -","- C40 H50 Cl6 N20 Na2 O13 Pt -","- C80 H100 Cl12 N40 Na4 O26 Pt2 -","2","0.5","","Chen, Ruru; Cao, Minna; Wang, Jin-Yun; Li, Hongfang; Cao, Rong","Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient Electrocatalysts for Oxygen Reduction Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05899K","","","1.54184","CuKα","","0.0487","0.0457","","","0.1335","0.1419","","","","","","1.085","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7124099","14.7513","0.0001","16.6713","0.0001","21.8623","0.0002","90","","95.158","0.001","90","","5354.68","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","RbPtMe10CB[5]","","","- C40 Cl6 N20 O12 Pt Rb2 -","- C40 Cl6 N20 O12 Pt Rb2 -","- C160 Cl24 N80 O48 Pt4 Rb8 -","4","0.5","","Chen, Ruru; Cao, Minna; Wang, Jin-Yun; Li, Hongfang; Cao, Rong","Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient Electrocatalysts for Oxygen Reduction Reaction","Chemical Communications","2019","","","","","10.1039/C9CC05899K","","","1.54184","CuKα","","0.0334","0.0323","","","0.0919","0.0927","","","","","","1.086","","","","has coordinates","217923","2020-10-21","18:00:00",""
"7124100","35.489","0.002","8.9539","0.0006","10.3479","0.0009","90","","90","","90","","3288.2","0.4","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H27 Cl4 Ga O7 -","- C12 H27 Cl4 Ga O7 -","- C72 H162 Cl24 Ga6 O42 -","6","1.5","","Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan","The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound","Chemical Communications","2019","","","","","10.1039/C9CC05900H","","","0.71073","MoKα","","0.1098","0.0457","","","0.087","0.1047","","","","","","1.007","","","","has coordinates","217925","2020-10-21","18:00:00",""
"7124101","35.43","0.003","8.7631","0.0006","10.0221","0.0007","90","","90","","90","","3111.6","0.4","93","2","93","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H27 Cl4 Ga O7 -","- C12 H27 Cl4 Ga O7 -","- C72 H162 Cl24 Ga6 O42 -","6","1.5","","Zhang, Han-Yue; Lu, Si-Qi; Chen, Xin; Xiong, Ren-Gen; Tang, Yuan-Yuan","The First High-Temperature Multiaxial Ferroelectric Host-Guest Inclusion Compound","Chemical Communications","2019","","","","","10.1039/C9CC05900H","","","0.71073","MoKα","","0.0809","0.068","","","0.177","0.1863","","","","","","1.054","","","","has coordinates","217925","2020-10-21","18:00:00",""
"7124102","9.5726","0.0016","10.5813","0.0019","20.181","0.003","90","","97.631","0.006","90","","2026","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Au Cl N2 -","- C20 H28 Au Cl N2 -","- C80 H112 Au4 Cl4 N8 -","4","1","","Kamal, Fadwa; Colombel-Rouen, Sophie; DUMAS, Adrien; Guegan, Jean Paul; Roisnel, Thierry; Dorcet, Vincent; Basle, Olivier; Rouen, Mathieu; Mauduit, Marc","Activation of olefin metathesis complexes containing unsymmetrical unsaturated N-heterocyclic carbenes by copper and gold transmetalation","Chemical Communications","2019","","","","","10.1039/C9CC05776E","","x-ray","0.71073","MoKα","","0.0358","0.0306","","","0.0677","0.0695","","","","","","1.13","","","","has coordinates","217926","2020-10-21","18:00:00",""
"7124103","9.3875","0.0017","19.402","0.003","15.257","0.004","90","","98.302","0.01","90","","2749.7","1","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 B F5 N2 -","- C31 H34 B F5 N2 -","- C124 H136 B4 F20 N8 -","4","1","","Kamal, Fadwa; Colombel-Rouen, Sophie; DUMAS, Adrien; Guegan, Jean Paul; Roisnel, Thierry; Dorcet, Vincent; Basle, Olivier; Rouen, Mathieu; Mauduit, Marc","Activation of olefin metathesis complexes containing unsymmetrical unsaturated N-heterocyclic carbenes by copper and gold transmetalation","Chemical Communications","2019","","","","","10.1039/C9CC05776E","","x-ray","0.71073","MoKα","","0.1244","0.0893","","","0.2275","0.2646","","","","","","1.025","","","","has coordinates","217926","2020-10-21","18:00:00",""
"7124104","19.709","0.002","35.361","0.004","16.4229","0.0017","90","","104.021","0.004","90","","11105","2","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Cl2 N4 Ru -","- C56 H64 Cl2 N4 Ru -","- C448 H512 Cl16 N32 Ru8 -","8","2","","Kamal, Fadwa; Colombel-Rouen, Sophie; DUMAS, Adrien; Guegan, Jean Paul; Roisnel, Thierry; Dorcet, Vincent; Basle, Olivier; Rouen, Mathieu; Mauduit, Marc","Activation of olefin metathesis complexes containing unsymmetrical unsaturated N-heterocyclic carbenes by copper and gold transmetalation","Chemical Communications","2019","","","","","10.1039/C9CC05776E","","x-ray","0.71073","MoKα","","0.0843","0.0745","","","0.19","0.1981","","","","","","1.036","","","","has coordinates","217926","2020-10-21","18:00:00",""
"7124105","11.8611","0.0019","14.803","0.002","33.715","0.004","90","","90","","90","","5919.7","1.4","150","2","150","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C30 H40 Cl2 N2 O Ru -","- C30 H40 Cl2 N2 O Ru -","- C240 H320 Cl16 N16 O8 Ru8 -","8","1","","Kamal, Fadwa; Colombel-Rouen, Sophie; DUMAS, Adrien; Guegan, Jean Paul; Roisnel, Thierry; Dorcet, Vincent; Basle, Olivier; Rouen, Mathieu; Mauduit, Marc","Activation of olefin metathesis complexes containing unsymmetrical unsaturated N-heterocyclic carbenes by copper and gold transmetalation","Chemical Communications","2019","","","","","10.1039/C9CC05776E","","x-ray","0.71073","MoKα","","0.0429","0.0373","","","0.0879","0.0903","","","","","","1.143","","","","has coordinates","217926","2020-10-21","18:00:00",""
"7124106","15.1042","0.0003","6.2472","0.00017","22.4658","0.0007","90","","91.32","0.003","90","","2119.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br N2 O3 -","- C21 H23 Br N2 O3 -","- C84 H92 Br4 N8 O12 -","4","1","","Liu, Xiangyuan; Yin, Yanli; Jiang, Zhiyong","Photoredox-Catalysed Formal [3+2] Cycloaddition of N-Aryl α-Amino with Isoquinoline N-Oxides","Chemical Communications","2019","","","","","10.1039/C9CC06249A","","x-ray","1.54184","CuKα","","0.0628","0.0507","","","0.1388","0.1531","","","","","","1.053","","","","has coordinates,has disorder","217927","2020-10-21","18:00:00",""
"7124107","13.239","0.0001","16.7296","0.0001","20.5536","0.0001","90","","90.344","0.001","90","","4552.19","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{trans-Pt(N3)(OH)2(Py)2}2(N3C16H8)","","- C42 H41 N19 O4 Pt2 -","- C42 H41 N19 O4 Pt2 -","- C168 H164 N76 O16 Pt8 -","4","1","","Yao, Kezi; Bertran, Arnau; Howarth, Alison; Goicoechea, Jose M.; Hare, Samuel M.; Rees, Nicholas H.; Foroozandeh, Mohammadali; Bowen, Alice M.; Farrer, Nicola J.","A visible-light photoactivatable di-nuclear PtIV triazolato azido complex","Chemical Communications","2019","","","","","10.1039/C9CC05310G","","","1.54184","CuKα","","0.026","0.0244","","","0.0614","0.0626","","","","","","1.13","","","","has coordinates,has disorder","217928","2020-10-21","18:00:00",""
"7124108","11.4121","0.0003","11.4588","0.0003","15.1821","0.0004","82.296","0.001","79.708","0.001","78.814","0.001","1906.11","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C88 H84 N4 O24 -","4","2","","Lockett-Walters, Bruce; Trujillo, Cristina; Twamley, Brendan; Connon, Stephen","The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis","Chemical Communications","2019","","","","","10.1039/C9CC05064G","","x-ray","0.71073","MoKα","","0.0575","0.0407","","","0.0918","0.0999","","","","","","1.014","","","","has coordinates","217929","2020-10-21","18:00:00",""
"7124109","6.6218","0.0012","11.9315","0.0018","11.96","0.002","90","","98.905","0.005","90","","933.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O7 -","- C21 H17 N3 O7 -","- C42 H34 N6 O14 -","2","1","","Lockett-Walters, Bruce; Trujillo, Cristina; Twamley, Brendan; Connon, Stephen","The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis","Chemical Communications","2019","","","","","10.1039/C9CC05064G","","x-ray","0.71073","MoKα","","0.045","0.0347","","","0.0753","0.0802","","","","","","1.03","","","","has coordinates","217929","2020-10-21","18:00:00",""
"7124110","7.8998","0.0002","11.8254","0.0004","12.5588","0.0004","77.6681","0.0013","78.7428","0.0013","76.0758","0.0013","1099.6","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O7 -","- C25 H23 N O7 -","- C50 H46 N2 O14 -","2","1","","Lockett-Walters, Bruce; Trujillo, Cristina; Twamley, Brendan; Connon, Stephen","The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis","Chemical Communications","2019","","","","","10.1039/C9CC05064G","","x-ray","0.71073","MoKα","","0.0599","0.0401","","","0.0911","0.101","","","","","","1.014","","","","has coordinates","217929","2020-10-21","18:00:00",""
"7124111","10.4508","0.0002","10.1942","0.0002","17.5269","0.0004","90","","90.21","0.001","90","","1867.26","0.07","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 I N O4 S -","- C18 H16 I N O4 S -","- C72 H64 I4 N4 O16 S4 -","4","1","","Song, Yulong; Song, Shihua; Duan, Xinyu; Wu, Xiaoyan; Jiang, Feng; Zhang, Yuchen; Fan, Junjie; Huang, Xin; Fu, Chunling; Ma, Shengming","Copper-Catalyzed Radical Approach to Allenyl Iodides","Chemical Communications","2019","","","","","10.1039/C9CC05853B","","","0.71073","MoKα","","0.053","0.0358","","","0.0845","0.0949","","","","","","1.024","","","","has coordinates","217945","2020-10-21","18:00:00",""
"7124112","14.1071","0.0011","15.4146","0.0007","14.1647","0.001","90","","118.719","0.01","90","","2701.3","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Cl Mn N3 O7 -","- C31 H25 Cl Mn N3 O7 -","- C124 H100 Cl4 Mn4 N12 O28 -","4","1","","Mandal, Swadhin K.; Das, Hari Sankar; Das, Shyamal; Dey, Kartick; Singh, Bhagat; Koottanil Haridasan, Rahul; Das, Arpan; Ahmed, Jasimuddin","Primary Amides to Amines or Nitriles: Dual Role by a Single Catalyst","Chemical Communications","2019","","","","","10.1039/C9CC05856G","","x-ray","0.71073","MoKα","","0.0514","0.046","","","0.1236","0.128","","","","","","1.04","","","","has coordinates","217987","2020-10-21","18:00:00",""
"7124113","10.098","0.001","11.6602","0.0007","18.3347","0.0011","90","","104.276","0.007","90","","2092.1","0.3","103","5","103","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cl Mn N2 O2 -","- C28 H18 Cl Mn N2 O2 -","- C112 H72 Cl4 Mn4 N8 O8 -","4","1","","Mandal, Swadhin K.; Das, Hari Sankar; Das, Shyamal; Dey, Kartick; Singh, Bhagat; Koottanil Haridasan, Rahul; Das, Arpan; Ahmed, Jasimuddin","Primary Amides to Amines or Nitriles: Dual Role by a Single Catalyst","Chemical Communications","2019","","","","","10.1039/C9CC05856G","","x-ray","0.71073","MoKα","","0.0804","0.0632","","","0.1575","0.174","","","","","","1.034","","","","has coordinates","217987","2020-10-21","18:00:00",""
"7124114","14.9408","0.0002","14.8512","0.0003","20.1705","0.0003","90","","89.98","0.001","90","","4475.61","0.13","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cl Mn N2 O6 -","- C28 H18 Cl Mn N2 O6 -","- C224 H144 Cl8 Mn8 N16 O48 -","8","2","","Mandal, Swadhin K.; Das, Hari Sankar; Das, Shyamal; Dey, Kartick; Singh, Bhagat; Koottanil Haridasan, Rahul; Das, Arpan; Ahmed, Jasimuddin","Primary Amides to Amines or Nitriles: Dual Role by a Single Catalyst","Chemical Communications","2019","","","","","10.1039/C9CC05856G","","x-ray","0.71073","MoKα","","0.0323","0.0287","","","0.0735","0.0759","","","","","","1.037","","","","has coordinates","217987","2020-10-21","18:00:00",""
"7124115","14.3601","0.0005","8.9695","0.0003","15.4933","0.0005","90","","98.942","0.001","90","","1971.33","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1-(benzo[d][1,3]dithiol-2-yl)-2-phenylbutyl)benzo[d]oxazole","","- C24 H21 N O S2 -","- C24 H21 N O S2 -","- C96 H84 N4 O4 S8 -","4","1","","Vargová, Denisa; Perez, Juana M.; Harutyunyan, Syuzanna R.; Sebesta, Radovan","Trapping of chiral enolates generated by Lewis acid promoted conjugate addition of Grignard reagents to unreactive Michael acceptors by various electrophiles","Chemical Communications","2019","","","","","10.1039/C9CC05041H","","","1.54178","CuKα","","0.051","0.044","","","0.1062","0.1099","","","","","","1.117","","","","has coordinates","218021","2020-10-21","18:00:00",""
"7124116","14.9352","0.0005","8.20386","0.00019","14.9002","0.0004","90","","113.53","0.004","90","","1673.86","0.1","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)","","- C14 H26 O9 -","- C14 H26 O9 -","- C56 H104 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-templated synthesis of an orthoformate in,in-cryptand and its bridgehead inversion by dynamic covalent exchange","Chemical Communications","2019","","","","","10.1039/C9CC05968G","","x-ray","1.54184","CuKα","","0.0434","0.0357","","","0.098","0.1039","","","","","","1.054","","","","has coordinates","218022","2020-10-21","18:00:00",""
"7124117","13.139","0.0003","17.7561","0.0003","21.7663","0.0005","90","","90","","90","","5078.02","0.19","149.95","0.1","149.95","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-natrium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Na O9 -","- C46 H38 B F24 Na O9 -","- C184 H152 B4 F96 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-templated synthesis of an orthoformate in,in-cryptand and its bridgehead inversion by dynamic covalent exchange","Chemical Communications","2019","","","","","10.1039/C9CC05968G","","x-ray","0.71073","MoKα","","0.0651","0.0455","","","0.0948","0.1049","","","","","","1.031","","","","has coordinates,has disorder","218022","2020-10-21","18:00:00",""
"7124118","21.5182","0.0007","5.2367","0.0001","22.1791","0.0007","90","","115.096","0.004","90","","2263.31","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 O12 Yb2 -","- C24 H12 O12 Yb2 -","- C96 H48 O48 Yb8 -","4","1","","Burnett, David L.; Oozeerally, Ryan; Pertiwi, Ralentri; Chamberlain, Thomas W.; Cherkasov, Nikolay; Clarkson, Guy J.; Krisnandi, Yuni K.; Degirmenci, Volkan; Walton, Richard I.","A hydrothermally stable ytterbium metal‒organic framework as a bifunctional solid-acid catalyst for glucose conversion","Chemical Communications","2019","","","","","10.1039/C9CC05364F","","x-ray","0.71073","MoKα","","0.0475","0.0421","","","0.1145","0.117","","","","","","1.048","","","","has coordinates","218023","2020-10-21","18:00:00",""
"7124119","11.34947","0.00016","11.9759","0.00019","12.97316","0.00018","86.7541","0.0012","67.0669","0.0013","72.1561","0.0013","1541.85","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 O19 Yb3 -","- C28 H22 O19 Yb3 -","- C56 H44 O38 Yb6 -","2","1","","Burnett, David L.; Oozeerally, Ryan; Pertiwi, Ralentri; Chamberlain, Thomas W.; Cherkasov, Nikolay; Clarkson, Guy J.; Krisnandi, Yuni K.; Degirmenci, Volkan; Walton, Richard I.","A hydrothermally stable ytterbium metal‒organic framework as a bifunctional solid-acid catalyst for glucose conversion","Chemical Communications","2019","","","","","10.1039/C9CC05364F","","x-ray","0.71073","MoKα","","0.0202","0.0173","","","0.0377","0.0387","","","","","","1.067","","","","has coordinates","218023","2020-10-21","18:00:00",""
"7124120","15.3569","0.00019","14.18712","0.00018","16.9515","0.0002","90","","90","","90","","3693.23","0.08","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N2 O9 S Yb -","- C14 H17 N2 O9 S Yb -","- C112 H136 N16 O72 S8 Yb8 -","8","1","","Burnett, David L.; Oozeerally, Ryan; Pertiwi, Ralentri; Chamberlain, Thomas W.; Cherkasov, Nikolay; Clarkson, Guy J.; Krisnandi, Yuni K.; Degirmenci, Volkan; Walton, Richard I.","A hydrothermally stable ytterbium metal‒organic framework as a bifunctional solid-acid catalyst for glucose conversion","Chemical Communications","2019","","","","","10.1039/C9CC05364F","","x-ray","0.71073","MoKα","","0.0406","0.029","","","0.0581","0.0618","","","","","","1.139","","","","has coordinates","218023","2020-10-21","18:00:00",""
"7124121","8.609","0.003","25.25","0.03","25.4","0.012","90","","105.318","0.012","90","","5325","7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gross88 (Sinha)","","","- C64 H41 Co F10 N4 O2 P -","- C64 H41 Co F10 N4 O2 P -","- C256 H164 Co4 F40 N16 O8 P4 -","4","1","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Diskin-Posner, Yael; Shimon, Linda JW; Gross, Zeev","Superstructured metallocorroles for electrochemical CO2 reduction","Chemical Communications","2019","","","","","10.1039/C9CC06645D","","","0.71073","MoKα","","0.11","0.0944","","","0.1893","0.1952","","","","","","1.348","","","","has coordinates","218049","2020-10-21","18:00:00",""
"7124122","8.1606","0.0003","40.3164","0.0008","11.4724","0.0004","90","","106.081","0.003","90","","3626.8","0.2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C43 H19 F10 Fe N5 O3 -","- C43 H19 F10 Fe N5 O3 -","- C172 H76 F40 Fe4 N20 O12 -","4","2","","Sinha, Woormileela; Mahammed, Atif; Fridman, Natalia; Diskin-Posner, Yael; Shimon, Linda JW; Gross, Zeev","Superstructured metallocorroles for electrochemical CO2 reduction","Chemical Communications","2019","","","","","10.1039/C9CC06645D","","","1.54184","CuKα","","0.0605","0.0528","","","0.1378","0.1434","","","","","","1.083","","","","has coordinates,has disorder","218049","2020-10-21","18:00:00",""
"7124123","23.4627","0.0012","20.1882","0.0009","18.364","0.0009","90","","112.009","0.003","90","","8064.6","0.7","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 N5 O8 P4 Si4 Zn6 -","- C45 H73 N5 O8 P4 Si4 Zn6 -","- C180 H292 N20 O32 P16 Si16 Zn24 -","4","1","","Lee, Kyungseop; Huang, Yining; Corrigan, John F.","Facile synthesis of a hexanuclear zinc-acetato-trimethylsilylphosphinidene cluster: a single-source precursor to Zn3P2 nanoparticles","Chemical Communications","2019","","","","","10.1039/C9CC04879K","","","0.71073","MoKα","","0.0656","0.0387","","","0.0851","0.0963","","","","","","1.02","","","","has coordinates,has disorder","218050","2020-10-21","18:00:00",""
"7124124","10.221","0.0006","11.6331","0.0006","13.5866","0.0007","82.845","0.002","74.362","0.002","72.425","0.002","1481.42","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 O2 P -","- C37 H31 O2 P -","- C74 H62 O4 P2 -","2","1","","Xia, Yun-Tao; Xie, Xiao-Yu; Cui, Su-Hang; Ji, Yi-Gang; Wu, Lei","Secondary Phosphine Oxides Stabilized Au/Pd Nanoalloys: Metal Components-Controlled Regioselective Hydrogenation toward Phosphinyl (Z)-[3]Dendralenes","Chemical Communications","2019","","","","","10.1039/C9CC05928H","","","0.71073","MoKα","","0.0988","0.0536","","","0.1209","0.1402","","","","","","1.012","","","","has coordinates","218051","2020-10-21","18:00:00",""
"7124125","11.7519","0.0021","16.2971","0.003","19.646","0.0034","90","","90","","90","","3762.6","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0362","0.0304","","","0.0748","0.0793","","","","","","1.079","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124126","11.7402","0.0016","16.3576","0.0023","19.6405","0.0027","90","","90","","90","","3771.8","0.9","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0449","0.0366","","","0.092","0.0996","","","","","","1.096","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124127","11.7459","0.0017","16.5099","0.0024","19.6217","0.0029","90","","90","","90","","3805.1","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0567","0.0445","","","0.1039","0.115","","","","","","1.108","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124128","11.7522","0.0019","16.5678","0.0027","19.6125","0.0031","90","","90","","90","","3818.7","1.1","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0592","0.0456","","","0.0984","0.1095","","","","","","1.116","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124129","11.7438","0.0017","16.4767","0.0024","19.6295","0.0029","90","","90","","90","","3798.3","1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0544","0.0431","","","0.1019","0.1127","","","","","","1.086","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124130","11.7441","0.0032","16.3205","0.0045","19.6453","0.0054","90","","90","","90","","3765.4","1.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.04","0.0334","","","0.0838","0.0896","","","","","","1.094","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124131","11.7422","0.0017","16.4398","0.0024","19.6352","0.0028","90","","90","","90","","3790.4","0.9","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0516","0.0417","","","0.1007","0.1104","","","","","","1.08","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124132","11.75","0.0018","16.5402","0.0025","19.617","0.003","90","","90","","90","","3812.5","1","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0585","0.0449","","","0.1004","0.1129","","","","","","1.096","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124133","8.3037","0.0004","21.527","0.001","9.422","0.0004","90","","109.043","0.001","90","","1592.05","0.13","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.1","0.0691","","","0.1396","0.1477","","","","","","1.029","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124134","8.3674","0.0003","21.5772","0.0008","9.4332","0.0003","90","","109.423","0.001","90","","1606.19","0.1","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0486","0.0472","","","0.1111","0.112","","","","","","1.168","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124135","11.7573","0.0012","16.4228","0.0017","19.6413","0.0021","90","","90","","90","","3792.5","0.7","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0442","0.0406","","","0.1061","0.1094","","","","","","1.063","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124136","8.3338","0.0002","21.5667","0.0005","9.4299","0.0002","90","","109.248","0.001","90","","1600.12","0.06","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0516","0.0481","","","0.1201","0.1225","","","","","","1.108","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124137","8.3268","0.0003","21.5993","0.0012","9.4395","0.0009","90","","109.159","0.001","90","","1603.69","0.19","140","2","140","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0545","0.049","","","0.1135","0.1201","","","","","","1.188","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124138","8.3866","0.0003","21.5854","0.0008","9.4357","0.0003","90","","109.511","0.001","90","","1610.04","0.1","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0487","0.0473","","","0.1118","0.1128","","","","","","1.165","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124139","8.3498","0.0003","21.572","0.0008","9.4328","0.0003","90","","109.338","0.001","90","","1603.2","0.1","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0496","0.0485","","","0.1194","0.1202","","","","","","1.183","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124140","8.2872","0.0003","21.5164","0.0011","9.4099","0.0004","90","","109.039","0.001","90","","1586.1","0.12","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0777","0.0646","","","0.1412","0.1474","","","","","","1.181","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124141","8.4208","0.0004","21.5873","0.0009","9.4367","0.0004","90","","109.674","0.001","90","","1615.28","0.12","260","2","260","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0524","0.0509","","","0.132","0.1332","","","","","","1.146","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124142","11.7508","0.0017","16.5636","0.0024","19.6111","0.0028","90","","90","","90","","3817","1","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0599","0.0454","","","0.1018","0.1148","","","","","","1.134","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124143","8.4039","0.0004","21.5861","0.001","9.4367","0.0004","90","","109.586","0.001","90","","1612.84","0.13","240","2","240","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0494","0.0481","","","0.1193","0.1202","","","","","","1.156","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124144","8.4179","0.0003","21.5823","0.0008","9.4363","0.0003","90","","109.676","0.001","90","","1614.27","0.1","260","2","260","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0529","0.0511","","","0.1294","0.1307","","","","","","1.161","","","","has coordinates,has disorder","218104","2020-10-21","18:00:00",""
"7124145","12.1943","0.0004","24.9979","0.001","19.9314","0.0007","90","","94.521","0.003","90","","6056.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H33 Cu3 N15 O18 -","- C45 H33 Cu3 N15 O18 -","- C180 H132 Cu12 N60 O72 -","4","1","","Zhang, Junshuai; Hu, Jiyong; Peng, Kun; Song, Wei; Zhi, Shuangcheng; Yang, Endian; Zhao, Jin'an; Hou, Hongwei","Chemical biology suggests pleiotropic effects for a novel hexanuclear copper(II) complex inducing apoptosis in hepatocellular carcinoma cells","Chemical Communications","2019","","","","","10.1039/C9CC05995D","","x-ray","1.54184","CuKα","","0.1613","0.0997","","","0.2623","0.3155","","","","","","1.025","","","","has coordinates","218199","2020-10-21","18:00:00",""
"7124146","7.1196","0.0004","11.8468","0.0007","18.6262","0.0011","90","","98.714","0.002","90","","1552.88","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Uranyl oxalate","nonirradiated_sample","","- C15 H9 N2 O8 U -","- C15 H9 N2 O8 U -","- C60 H36 N8 O32 U4 -","4","1","","Xie, Jian; Wang, Yaxing; Zhang, Duo; Liang, Chengyu; Liu, Wei; Chong, Yu; Yin, Xuemiao; Zhang, Yugang; Gui, Daxiang; Chen, Lanhua; Tong, Wei; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Wang, Shuao","Photo-exfoliation of a highly photo-responsive two-dimensional metal‒organic framework","Chemical Communications","2019","","","","","10.1039/C9CC05455C","","","0.71073","MoKα","","0.0285","0.0201","","","0.0382","0.04","","","","","","1.058","","","","has coordinates","218200","2020-10-21","18:00:00",""
"7124147","7.219","0.002","11.787","0.003","18.586","0.005","90","","98.556","0.007","90","","1563.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Uranyl oxalate","irradiated_sample","","- C15 H9 N2 O8 U -","- C15 H9 N2 O8 U -","- C60 H36 N8 O32 U4 -","4","1","","Xie, Jian; Wang, Yaxing; Zhang, Duo; Liang, Chengyu; Liu, Wei; Chong, Yu; Yin, Xuemiao; Zhang, Yugang; Gui, Daxiang; Chen, Lanhua; Tong, Wei; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Wang, Shuao","Photo-exfoliation of a highly photo-responsive two-dimensional metal‒organic framework","Chemical Communications","2019","","","","","10.1039/C9CC05455C","","","0.71073","MoKα","","0.1423","0.0599","","","0.0928","0.1119","","","","","","1.033","","","","has coordinates","218200","2020-10-21","18:00:00",""
"7124148","7.6239","0.0003","7.759","0.0002","25.3429","0.0009","93.231","0.003","93.462","0.003","91.842","0.003","1493.06","0.09","223","","223","","","","","","","","","3","P 1","P 1","1","","2-Methyl-4-(pyren-1-yl)thiophene","","- C21 H14 S -","- C21 H14 S -","- C84 H56 S4 -","4","4","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.1257","0.1215","","","0.3706","0.3754","","","","","","1.719","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124149","8.32033","0.00014","7.1649","0.00012","53.8962","0.0007","90","","93.3805","0.0013","90","","3207.4","0.09","223","","223","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-4-(pyren-1-yl)thiophene","","- C44 H32 S2 -","- C44 H32 S2 -","- C176 H128 S8 -","4","1","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.0914","0.0811","","","0.202","0.2095","","","","","","1.045","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124150","8.77664","0.00013","9.33669","0.00016","12.0593","0.0002","93.6123","0.0014","106.353","0.0014","99.6734","0.0013","928.36","0.03","223","","223","","","","","","","","","3","P -1","-P 1","2","","2-Pentyl-4-(pyren-1-yl)thiophene","","- C25 H22 S -","- C25 H22 S -","- C50 H44 S2 -","2","1","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.0371","0.0339","","","0.0939","0.0968","","","","","","1.075","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124151","7.65747","0.00011","14.0292","0.0002","15.4998","0.0002","90","","90","","90","","1665.12","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Propyl-4-(pyren-1-yl)thiophene","","- C23 H18 S -","- C23 H18 S -","- C92 H72 S4 -","4","1","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.0369","0.0351","","","0.091","0.0926","","","","","","1.074","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124152","8.71844","0.00012","10.13255","0.00017","22.2883","0.0003","90","","91.7546","0.0013","90","","1968.03","0.05","223","","223","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hexyl-4-(pyren-1-yl)thiophene","","- C26 H24 S -","- C26 H24 S -","- C104 H96 S4 -","4","1","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.0434","0.0388","","","0.1052","0.1087","","","","","","1.059","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124153","8.0425","0.0005","12.156","0.0007","14.5478","0.0009","90","","97.933","0.002","90","","1408.65","0.15","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Kumar, Pradeep; Garg, Vineeta; Kumar, Manoj; Verma, Akhilesh K.","Rh(III)-Catalyzed Alkynylation: Synthesis of Functionalized Quinolines from Aminohydrazones","Chemical Communications","2019","","","","","10.1039/C9CC06205J","","","0.71073","MoKα","","0.1204","0.0739","","","0.2061","0.2498","","","","","","0.787","","","","has coordinates","218278","2020-10-21","18:00:00",""
"7124154","31.8664","0.0015","8.9719","0.0005","16.6944","0.0008","90","","110.086","0.002","90","","4482.7","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cl N3 O -","- C25 H20 Cl N3 O -","- C200 H160 Cl8 N24 O8 -","8","1","","Li, Jian; wang, zheng-bing; xu, yue; lu, xue-chen; zhu, shang-rong; Liu, Li","Catalyst-Free Cyclization of Anthranils and Cyclic Amines: One-step Synthesis of Rutaecarpine","Chemical Communications","2019","","","","","10.1039/C9CC06160F","","","1.34139","GaKα","","0.1014","0.0696","","","0.2214","0.2585","","","","","","0.922","","","","has coordinates","218279","2020-10-21","18:00:00",""
"7124155","11.4651","0.0006","10.571","0.0005","17.7266","0.0009","90","","105.48","0.002","90","","2070.48","0.18","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br Cl N2 O2 -","- C24 H20 Br Cl N2 O2 -","- C96 H80 Br4 Cl4 N8 O8 -","4","1","","Li, Jian; wang, zheng-bing; xu, yue; lu, xue-chen; zhu, shang-rong; Liu, Li","Catalyst-Free Cyclization of Anthranils and Cyclic Amines: One-step Synthesis of Rutaecarpine","Chemical Communications","2019","","","","","10.1039/C9CC06160F","","","1.34139","GaKα","","0.0445","0.0432","","","0.1196","0.1207","","","","","","1.058","","","","has coordinates","218279","2020-10-21","18:00:00",""
"7124156","23.94","0.008","12.658","0.004","27.816","0.01","90","","101.429","0.008","90","","8262","5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C200 H204 B2 N10 O8 -","- C200 H204 B2 N10 O8 -","- C400 H408 B4 N20 O16 -","2","0.5","","Yashima, Eiji; Taura, Daisuke; Shimizu, Kaori; Yokota, Chiaki; Ikeda, Riho; Suzuki, Yoshimasa; Iida, Hiroki; Ousaka, Naoki","Fluorescent molecular spring that visualizes the extension and contraction motions of a double-stranded helicate bearing terminal pyrene units triggered by release and binding of alkali metal ions","Chemical Communications","2019","","","","","10.1039/C9CC06126F","","","0.71075","MoKα","","0.213","0.1685","","","0.3102","0.3334","","","","","","1.263","","","","has coordinates,has disorder","218280","2020-10-21","18:00:00",""
"7124157","14.6268","0.0006","15.0615","0.0006","15.2862","0.0006","96.056","0.003","112.125","0.004","104.778","0.004","2939","0.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C87 H74 Cl6 Fe4 N30 O53 -","- C87 H64 Cl6 Fe4 N30 O53 -","- C87 H64 Cl6 Fe4 N30 O53 -","1","0.5","","Clemente Leon, Miguel; García-López, Víctor; Palacios-Corella, Mario; Cardona-Serra, Salvador; Coronado, Eugenio","Spin-crossover iron (II) complex showing thermal hysteresis around room temperature with symmetry breaking and an unusually high T(LIESST) of 120 K.","Chemical Communications","2019","","","","","10.1039/C9CC05988A","","x-ray","0.71073","MoKα","","0.1863","0.0954","","","0.2362","0.3061","","","","","","1.028","","","","has coordinates,has disorder","218281","2020-10-21","18:00:00",""
"7124158","12.8517","0.0004","18.4107","0.0004","19.5908","0.0004","88.715","0.002","88.876","0.002","89.761","0.002","4633.3","0.2","300.05","0.1","300.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C73 H78 Cl4 Fe2 N20 O39 -","- C70 H72 Cl4 Fe2 N20 O38 -","- C140 H144 Cl8 Fe4 N40 O76 -","2","1","","Clemente Leon, Miguel; García-López, Víctor; Palacios-Corella, Mario; Cardona-Serra, Salvador; Coronado, Eugenio","Spin-crossover iron (II) complex showing thermal hysteresis around room temperature with symmetry breaking and an unusually high T(LIESST) of 120 K.","Chemical Communications","2019","","","","","10.1039/C9CC05988A","","x-ray","0.71073","MoKα","","0.1883","0.0817","","","0.1883","0.2635","","","","","","1.046","","","","has coordinates,has disorder","218281","2020-10-21","18:00:00",""
"7124159","19.2527","0.0003","17.96","0.0003","12.8378","0.0002","90","","91.571","0.002","90","","4437.37","0.12","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H39 Cl2 Fe N10 O19.5 -","- C36.5 H39 Cl2 Fe N10 O19.5 -","- C146 H156 Cl8 Fe4 N40 O78 -","4","1","","Clemente Leon, Miguel; García-López, Víctor; Palacios-Corella, Mario; Cardona-Serra, Salvador; Coronado, Eugenio","Spin-crossover iron (II) complex showing thermal hysteresis around room temperature with symmetry breaking and an unusually high T(LIESST) of 120 K.","Chemical Communications","2019","","","","","10.1039/C9CC05988A","","","0.71073","MoKα","","0.0805","0.0515","","","0.1116","0.1291","","","","","","1.04","","","","has coordinates,has disorder","218281","2020-10-21","18:00:00",""
"7124160","16.152","0.004","5.5339","0.0012","22.599","0.005","90","","107.429","0.015","90","","1927.2","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 S4 -","- C44 H40 S4 -","- C88 H80 S8 -","2","0.5","","Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.","Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes","Chemical Communications","2019","","","","","10.1039/C9CC06503B","","","1.54178","CuKα","","0.1667","0.0864","","","0.1787","0.2086","","","","","","1.004","","","","has coordinates","218282","2020-10-21","18:00:00",""
"7124161","5.9598","0.0003","12.9349","0.0007","37.287","0.002","90","","90","","90","","2874.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 S3 -","- C36 H32 S3 -","- C144 H128 S12 -","4","1","","Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.","Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes","Chemical Communications","2019","","","","","10.1039/C9CC06503B","","","1.54178","CuKα","","0.0722","0.0504","","","0.119","0.1335","","","","","","0.924","","","","has coordinates","218282","2020-10-21","18:00:00",""
"7124162","20.8036","0.0011","5.6365","0.0004","35.382","0.002","90","","93.946","0.004","90","","4139","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl6 S3 -","- C43 H37 Cl3 S3 -","- C172 H148 Cl12 S12 -","4","1","","Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.","Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes","Chemical Communications","2019","","","","","10.1039/C9CC06503B","","","1.54178","CuKα","","0.1637","0.1221","","","0.3368","0.3632","","","","","","1.075","","","","has coordinates,has disorder","218282","2020-10-21","18:00:00",""
"7124163","20.9413","0.0014","13.7902","0.0011","14.7593","0.0012","90","","90.05","0.006","90","","4262.3","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 S2 -","- C28 H24 S2 -","- C224 H192 S16 -","8","2","","Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.","Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes","Chemical Communications","2019","","","","","10.1039/C9CC06503B","","","1.54178","CuKα","","0.0804","0.0646","","","0.1558","0.1681","","","","","","1.026","","","","has coordinates","218282","2020-10-21","18:00:00",""
"7124164","16.0588","0.0005","22.0076","0.0006","37.9449","0.0012","85.691","0.002","88.1","0.003","70.12","0.002","12575.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H264 Ge36 K6 Si32 Zn -","- C114 H264 Ge36 K6 Si32 Zn -","- C228 H528 Ge72 K12 Si64 Zn2 -","2","1","","Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F","Zinc as a Versatile Connecting Atom for Zintl Cluster Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06388A","","","0.71073","MoKα","","0.0945","0.0573","","","0.1364","0.1524","","","","","","1.083","","","","has coordinates,has disorder","218292","2020-10-21","18:00:00",""
"7124165","10.355","0.002","17.83","0.004","10.478","0.002","90","","113.42","0.03","90","","1775.2","0.7","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ge9 H51 N17 Zn2 -","- Ge9 H51 N17 Zn2 -","- Ge18 H102 N34 Zn4 -","2","0.5","","Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F","Zinc as a Versatile Connecting Atom for Zintl Cluster Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06388A","","","0.71073","MoKα","","0.0733","0.0612","","","0.1624","0.1751","","","","","","1.077","","","","has coordinates","218292","2020-10-21","18:00:00",""
"7124166","9.0124","0.0003","15.8289","0.0004","19.3114","0.0006","74.118","0.001","87.198","0.001","76.035","0.001","2570.98","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Br N O2 -","- C31 H28 Br N O2 -","- C124 H112 Br4 N4 O8 -","4","2","","Li, Jian; Xue, Bingxiang; Su, Shikuan; Cui, Yongmei; Fei, Youwen; Jia, Xueshun; Fang, Jianhui","Phosphine-mediated sequential annulations of allenyl ketone and isocyanide: a bicyclization strategy to access furan-fused eight-membered ring and spirocycle","Chemical Communications","2019","","","","","10.1039/C9CC06267J","","","1.34138","GaKα","","0.0472","0.0406","","","0.1071","0.1124","","","","","","1.027","","","","has coordinates","218293","2020-10-21","18:00:00",""
"7124167","15.1969","0.0012","15.4461","0.0017","10.9974","0.0011","90","","95.41","0.004","90","","2570","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N O2 -","- C33 H33 N O2 -","- C132 H132 N4 O8 -","4","1","","Li, Jian; Xue, Bingxiang; Su, Shikuan; Cui, Yongmei; Fei, Youwen; Jia, Xueshun; Fang, Jianhui","Phosphine-mediated sequential annulations of allenyl ketone and isocyanide: a bicyclization strategy to access furan-fused eight-membered ring and spirocycle","Chemical Communications","2019","","","","","10.1039/C9CC06267J","","","1.34138","GaKα","","0.0727","0.0592","","","0.1643","0.1748","","","","","","1.096","","","","has coordinates","218293","2020-10-21","18:00:00",""
"7124168","11.121","0.006","11.314","0.004","14.001","0.006","103.251","0.017","106.399","0.018","100.506","0.018","1586.4","1.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 B N2 O2 P -","- C34 H38 B N2 O2 P -","- C68 H76 B2 N4 O4 P2 -","2","1","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.0738","0.0438","","","0.1008","0.1137","","","","","","1.019","","","","has coordinates","218322","2020-10-21","18:00:00",""
"7124169","13.515","0.0013","12.4763","0.0013","13.4773","0.0013","90","","97.705","0.004","90","","2252","0.4","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N2 O4 P -","- C22 H28 B N2 O4 P -","- C88 H112 B4 N8 O16 P4 -","4","1","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.0456","0.035","","","0.0927","0.1008","","","","","","1.006","","","","has coordinates","218322","2020-10-21","18:00:00",""
"7124170","9.7588","0.001","18.6613","0.0019","24.353","0.002","90","","90","","90","","4435","0.7","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H72 B2 N4 O8 P2 -","- C36 H72 B2 N4 O8 P2 -","- C144 H288 B8 N16 O32 P8 -","4","0.5","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.1017","0.0493","","","0.0918","0.1092","","","","","","1.002","","","","has coordinates","218322","2020-10-21","18:00:00",""
"7124171","10.1822","0.0004","19.0995","0.0007","29.5034","0.0011","90","","96.455","0.002","90","","5701.3","0.4","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 B2 N4 O4 P2 -","- C62 H64 B2 N4 O4 P2 -","- C248 H256 B8 N16 O16 P8 -","4","1","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.0957","0.0523","","","0.1258","0.1489","","","","","","0.99","","","","has coordinates","218322","2020-10-21","18:00:00",""
"7124172","25.3105","0.0014","13.9331","0.0008","15.4998","0.0009","90","","107.602","0.003","90","","5210.1","0.5","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 B2 N4 O4 P2 -","- C62 H48 B2 N4 O4 P2 -","- C248 H192 B8 N16 O16 P8 -","4","1","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.0817","0.0459","","","0.0992","0.1178","","","","","","1.015","","","","has coordinates,has disorder","218322","2020-10-21","18:00:00",""
"7124173","11.4929","0.0015","12.5079","0.0014","13.5474","0.0017","95.608","0.006","107.365","0.006","97.228","0.006","1825","0.4","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H43 B Cl N2 P -","- C43.5 H43 B Cl N2 P -","- C87 H86 B2 Cl2 N4 P2 -","2","1","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.1209","0.057","","","0.1141","0.1396","","","","","","1.0275","","","","has coordinates,has disorder","218322","2020-10-21","18:00:00",""
"7124174","10.9419","0.0008","12.4455","0.001","12.8932","0.0009","94.044","0.004","94.334","0.004","96.359","0.004","1734.4","0.2","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 B N2 P -","- C43 H40 B N2 P -","- C86 H80 B2 N4 P2 -","2","1","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.0713","0.0459","","","0.1135","0.1315","","","","","","1.0541","","","","has coordinates","218322","2020-10-21","18:00:00",""
"7124175","9.1325","0.0013","16.19","0.002","8.6506","0.0013","90","","95.062","0.002","90","","1274","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I N O -","- C15 H10 I N O -","- C60 H40 I4 N4 O4 -","4","1","","Wang, Yan-Bo; Yang, Wan-Wan; Zhang, Jing-Wen; Chen, Lu-Lu; Fu, Ji-Ya; Zhu, Jun-Yan","Controllable synthesis of 3-iodo-2H-quinolizin-2-ones and 1,3-diiodo-2H-quinolizin-2-ones via electrophilic cyclization of azacyclic ynones","Chemical Communications","2019","","","","","10.1039/C9CC06250E","","","0.71073","MoKα","","0.0289","0.0252","","","0.0691","0.0718","","","","","","1.085","","","","has coordinates","218323","2020-10-21","18:00:00",""
"7124176","8.9008","0.0015","17.581","0.003","9.4398","0.0016","90","","101.219","0.002","90","","1449","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 I2 N O -","- C15 H9 I2 N O -","- C60 H36 I8 N4 O4 -","4","1","","Wang, Yan-Bo; Yang, Wan-Wan; Zhang, Jing-Wen; Chen, Lu-Lu; Fu, Ji-Ya; Zhu, Jun-Yan","Controllable synthesis of 3-iodo-2H-quinolizin-2-ones and 1,3-diiodo-2H-quinolizin-2-ones via electrophilic cyclization of azacyclic ynones","Chemical Communications","2019","","","","","10.1039/C9CC06250E","","","0.71073","MoKα","","0.0281","0.0233","","","0.0531","0.0554","","","","","","1.053","","","","has coordinates","218323","2020-10-21","18:00:00",""
"7124177","12.726","0.003","16.762","0.004","17.775","0.004","90","","90","","90","","3791.6","1.5","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H16 N2 O2 -","- C26 H16 N2 O2 -","- C208 H128 N16 O16 -","8","1","","Zhang, Liang; Li, Meng; Hu, Taiping; Wang, Yin-Feng; Shen, Yi-Fan; Yi, Yuanping; Lu, Hai-Yan; Gao, Qingyu; Chen, Chuan-Feng","Phthalimide-based “D-N-A” emitters with thermally activated delayed fluorescence and isomer-dependent room-temperature phosphorescence properties","Chemical Communications","2019","","","","","10.1039/C9CC06384F","","","0.71073","MoKα","","0.0932","0.0869","","","0.142","0.1445","","","","","","1.348","","","","has coordinates","218324","2020-10-21","18:00:00",""
"7124178","10.6209","0.0004","11.309","0.0004","15.1998","0.0005","90","","98.3","0.0016","90","","1806.55","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 Fe N3 -","- C16 H21 Cl2 Fe N3 -","- C64 H84 Cl8 Fe4 N12 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0478","0.0443","","","0.1334","0.1366","","","","","","1.177","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124179","16.0116","0.0004","14.976","0.0003","20.0132","0.0005","90","","90","","90","","4798.96","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Br2 N3 Zn -","- C22 H27 Br2 N3 Zn -","- C176 H216 Br16 N24 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0349","0.0306","","","0.0792","0.0834","","","","","","1.064","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124180","9.965","0.002","11.407","0.003","16.929","0.004","90","","93.044","0.004","90","","1921.6","0.8","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Br2 Fe N3 -","- C16 H21 Br2 Fe N3 -","- C64 H84 Br8 Fe4 N12 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.0727","0.0365","","","0.0705","0.0799","","","","","","1.012","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124181","13.7625","0.0007","16.9042","0.0008","13.8498","0.0007","90","","90","","90","","3222.1","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H48 B Fe N5 -","- C36 H48 B Fe N5 -","- C144 H192 B4 Fe4 N20 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.0372","0.0305","","","0.0766","0.0805","","","","","","1.062","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124182","15.581","0.003","11.673","0.002","16.58","0.003","90","","90.635","0.006","90","","3015.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Br2 Fe N3 -","- C24 H36 B Br2 Fe N3 -","- C96 H144 B4 Br8 Fe4 N12 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.0876","0.0587","","","0.1548","0.1744","","","","","","1.028","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124183","11.0311","0.0005","14.6748","0.0006","22.6949","0.001","90","","98.0876","0.0019","90","","3637.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 B Fe N5 O -","- C40 H54 B Fe N5 O -","- C160 H216 B4 Fe4 N20 O4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.0664","0.0413","","","0.1004","0.1131","","","","","","1.027","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124184","33.522","0.0013","12.4233","0.0005","13.6832","0.0007","90","","95.838","0.002","90","","5668.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 B Br2 N5 Zn -","- C24 H40 B Br2 N5 Zn -","- C192 H320 B8 Br16 N40 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0391","0.0352","","","0.1014","0.1102","","","","","","1.134","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124185","10.7634","0.0004","12.2556","0.0005","21.1268","0.0008","90","","103.757","0.0012","90","","2706.92","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 B Br2 Fe N4 -","- C24 H39 B Br2 Fe N4 -","- C96 H156 B4 Br8 Fe4 N16 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0349","0.0333","","","0.0949","0.0958","","","","","","1.138","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124186","12.9565","0.0006","11.57","0.0005","14.3493","0.0006","90","","103.93","0.0017","90","","2087.79","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Br2 Fe N3 -","- C17 H25 Br2 Fe N3 -","- C68 H100 Br8 Fe4 N12 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0339","0.0309","","","0.0847","0.0888","","","","","","1.153","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124187","15.5446","0.0004","11.6473","0.0003","16.4931","0.0004","90","","90.7931","0.001","90","","2985.83","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H42 B Br2 N3 Zn -","- C26.5 H42 B Br2 N3 Zn -","- C106 H168 B4 Br8 N12 Zn4 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0381","0.0354","","","0.0988","0.1008","","","","","","1.134","","","","has coordinates,has disorder","218402","2020-10-21","18:00:00",""
"7124188","12.6626","0.001","25.463","0.003","21.457","0.003","90","","102.524","0.004","90","","6753.7","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H88 B2 Br4 Cl6 N8 O Zn2 -","- C54.002 H88.004 B2 Br4 Cl6.002 N8 O Zn2 -","- C216.008 H352.016 B8 Br16 Cl24.008 N32 O4 Zn8 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.115","0.0652","","","0.1576","0.1862","","","","","","1.028","","","","has coordinates,has disorder","218402","2020-10-21","18:00:00",""
"7124189","21.6707","0.0004","13.3677","0.0002","18.9165","0.0003","90","","107.265","0.0008","90","","5232.95","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 B Br Fe N4 -","- C24 H38 B Br Fe N4 -","- C192 H304 B8 Br8 Fe8 N32 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0331","0.0293","","","0.071","0.0727","","","","","","1.057","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124190","33.5193","0.0008","12.45","0.0003","13.6964","0.0003","90","","95.8345","0.0009","90","","5686.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 B Br2 Fe N5 -","- C24 H40 B Br2 Fe N5 -","- C192 H320 B8 Br16 Fe8 N40 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.028","0.0257","","","0.0679","0.0694","","","","","","1.027","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124191","33.438","0.003","12.355","0.0008","13.6531","0.001","90","","95.908","0.003","90","","5610.5","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H39 B Br2 N4 O Zn -","- C24 H39 B Br2 N4 O Zn -","- C192 H312 B8 Br16 N32 O8 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.0618","0.0432","","","0.1032","0.1123","","","","","","1.038","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124192","14.0086","0.0004","14.8635","0.0004","15.9297","0.0004","70.8799","0.001","69.8088","0.001","65.8643","0.0009","2772.76","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.41 H76.82 B2 Br4 Cl0.82 Fe2 N8 -","- C48.409 H76.818 B2 Br4 Cl0.818 Fe2 N8 -","- C96.818 H153.636 B4 Br8 Cl1.636 Fe4 N16 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0537","0.0445","","","0.1211","0.1272","","","","","","1.117","","","","has coordinates,has disorder","218402","2020-10-21","18:00:00",""
"7124193","15.5954","0.0004","11.5756","0.0003","16.2879","0.0004","90","","91.1056","0.0012","90","","2939.84","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H84 B2 Cl4 Fe2 N6 -","- C53 H84 B2 Cl4 Fe2 N6 -","- C106 H168 B4 Cl8 Fe4 N12 -","2","0.5","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0403","0.035","","","0.092","0.095","","","","","","1.093","","","","has coordinates,has disorder","218402","2020-10-21","18:00:00",""
"7124194","14.0158","0.0005","14.8791","0.0006","15.8974","0.0006","70.5598","0.0017","69.5099","0.0018","65.6987","0.0017","2760.31","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.37 H76.75 B2 Br4 Cl0.75 N8 Zn2 -","- C48.374 H76.748 B2 Br4 Cl0.748 N8 Zn2 -","- C96.748 H153.496 B4 Br8 Cl1.496 N16 Zn4 -","2","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0744","0.0592","","","0.176","0.1907","","","","","","1.057","","","","has coordinates,has disorder","218402","2020-10-21","18:00:00",""
"7124195","14.2552","0.0018","17.287","0.002","32.407","0.004","94.408","0.004","101.051","0.004","101.473","0.004","7626.3","1.6","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C174 H150 B3 N18 Ni3 O13 -","- C174 H150 B3 N18 Ni3 O13 -","- C348 H300 B6 N36 Ni6 O26 -","2","1","","Mallah, Talal; Wang, Yiting; Lambert, François; Riviere, Eric; Guillot, Régis; Herrero, Christian; Tissot, Antoine; Halime, Zakaria","Electronic and spin delocalization in a switchable trinuclear triphenylene trisemiquinone bridged Ni3 complex","Chemical Communications","2019","","","","","10.1039/C9CC05183J","","x-ray","0.71073","MoKα","","0.3463","0.139","","","0.2658","0.3393","","","","","","1.015","","","","has coordinates,has disorder","218403","2020-10-21","18:00:00",""
"7124196","11.665","0.002","12.804","0.003","19.31","0.004","77.91","0.03","72.79","0.03","87.15","0.03","2693.6","1.1","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H79 N4 Si3 Y -","- C47 H79 N4 Si3 Y -","- C94 H158 N8 Si6 Y2 -","2","1","","Liu, Deshuai; Zhou, Dahai; Yang, Hao; Li, Jianfeng; Cui, Chunming","Yttrium Dialkyl Supported by a Silaamidinate Ligand: Synthesis, Structure and Catalysis on Cyclotrimerization of Isocyanates","Chemical Communications","2019","","","","","10.1039/C9CC06282C","","","0.71073","MoKα","","0.096","0.0694","","","0.1646","0.178","","","","","","1.006","","","","has coordinates","218503","2020-10-21","18:00:00",""
"7124197","8.4562","0.0007","11.3431","0.0009","11.8941","0.001","108.839","0.003","109.21","0.003","101.912","0.003","955.21","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 B N -","- C23 H26 B N -","- C46 H52 B2 N2 -","2","1","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","1.34139","GaKα","","0.0628","0.0508","","","0.1459","0.1567","","","","","","1.05","","","","has coordinates","218505","2020-10-21","18:00:00",""
"7124198","6.0306","0.0005","11.4395","0.0009","15.2784","0.0014","90","","99.144","0.003","90","","1040.62","0.15","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B O3 -","- C10 H16 B O3 -","- C40 H64 B4 O12 -","4","1","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","0.71073","MoKα","","0.0686","0.0495","","","0.1133","0.1219","","","","","","1.027","","","","has coordinates","218505","2020-10-21","18:00:00",""
"7124199","10.0847","0.0014","15.143","0.003","31.376","0.008","90","","90","","90","","4791.5","1.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H36 B N O5 -","- C23 H36 B N O5 -","- C184 H288 B8 N8 O40 -","8","1","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","1.34139","GaKα","","0.121","0.0772","","","0.145","0.168","","","","","","1.121","","","","has coordinates,has disorder","218505","2020-10-21","18:00:00",""
"7124200","9.3885","0.0005","10.415","0.0005","14.9188","0.0007","105.469","0.002","96.649","0.002","90.638","0.002","1395.13","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 B2 N O2 -","- C30 H40 B2 N O2 -","- C60 H80 B4 N2 O4 -","2","1","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","1.34139","GaKα","","0.1111","0.0866","","","0.151","0.1639","","","","","","1.009","","","","has coordinates","218505","2020-10-21","18:00:00",""
"7124201","7.3012","0.0019","14.676","0.004","28.022","0.007","90","","90","","90","","3002.6","1.4","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H44 B2 N O2 -","- C32 H44 B2 N O2 -","- C128 H176 B8 N4 O8 -","4","0.5","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","0.71073","MoKα","","0.0967","0.0632","","","0.1538","0.1761","","","","","","1.035","","","","has coordinates,has disorder","218505","2020-10-21","18:00:00",""
"7124202","15.6909","0.0002","8.2225","0.0001","30.5829","0.0003","90","","90","","90","","3945.76","0.08","99.98","0.13","99.98","0.13","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H20 I N O5 -","- C21 H20 I N O5 -","- C168 H160 I8 N8 O40 -","8","2","","Liu, Gengxin; Yu, Sifan; Hu, Wenhao; Qiu, Huang","A gold(I)-catalysed three-component reaction via trapping oxonium ylides with allenamides","Chemical Communications","2019","","","","","10.1039/C9CC06599G","","x-ray","1.54184","CuKα","","0.0455","0.0419","","","0.1049","0.1139","","","","","","1.089","","","","has coordinates","218506","2020-10-21","18:00:00",""
"7124203","9.2327","0.0003","14.7102","0.0005","11.8386","0.0004","90","","107.188","0.001","90","","1536.05","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Li, Jian; Su, Shikuan; Hu, Jie; Cui, Yongmei; Tang, Chongrong; Chen, Yali","A formal (5+1) annulation reaction from heterodimerization of two different isocyanides: stereoselective synthesis of 2H-benzo[b][1,4]oxazin-2-one","Chemical Communications","2019","","","","","10.1039/C9CC06678K","","","1.34138","GaKα","","0.0551","0.0441","","","0.1098","0.119","","","","","","1.038","","","","has coordinates","218507","2020-10-21","18:00:00",""
"7124204","10.4647","0.0003","13.4623","0.0004","14.0577","0.0004","94.609","0.001","105.344","0.001","96.088","0.001","1886.89","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C80 H68 Br4 N8 O16 -","4","2","","Li, Jian; Su, Shikuan; Hu, Jie; Cui, Yongmei; Tang, Chongrong; Chen, Yali","A formal (5+1) annulation reaction from heterodimerization of two different isocyanides: stereoselective synthesis of 2H-benzo[b][1,4]oxazin-2-one","Chemical Communications","2019","","","","","10.1039/C9CC06678K","","","1.34138","GaKα","","0.0396","0.0337","","","0.084","0.0886","","","","","","1.037","","","","has coordinates","218507","2020-10-21","18:00:00",""
"7124205","15.1238","0.0001","17.5194","0.0002","17.4026","0.0001","90","","97.403","0.001","90","","4572.56","0.07","222.99","0.1","222.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H156 N2 O31 V6 -","- C68 H156 N2 O31 V6 -","- C136 H312 N4 O62 V12 -","2","0.5","","VanGelder, Lauren E.; Pratt III, Harry D; Anderson, Travis M.; Matson, Ellen","Surface functionalization of polyoxovanadium clusters: Generation of highly soluble charge carriers for nonaqueous energy storage","Chemical Communications","2019","","","","","10.1039/C9CC05380H","","x-ray","1.54184","CuKα","","0.0451","0.0385","","","0.1027","0.1065","","","","","","1.07","","","","has coordinates,has disorder","218508","2020-10-21","18:00:00",""
"7124206","10.7028","0.001","19.841","0.002","12.7079","0.0016","90","","94.549","0.003","90","","2690.1","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cu N5 -","- C27 H36 Cu N5 -","- C108 H144 Cu4 N20 -","4","1","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.0302","0.0255","","","0.0692","0.0714","","","","","","1.044","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124207","15.7139","0.0017","21.668","0.002","20.036","0.002","90","","101.313","0.003","90","","6689.5","1.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Cu N5 O4 -","- C33 H42 Cu N5 O4 -","- C264 H336 Cu8 N40 O32 -","8","2","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.0562","0.0355","","","0.0732","0.0843","","","","","","1.103","","","","has coordinates,has disorder","218557","2020-10-21","18:00:00",""
"7124208","12.2657","0.0015","12.5469","0.0014","14.0728","0.0019","110.157","0.003","107.483","0.002","91.407","0.0015","1919.2","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Cu F3 N6 O2 -","- C35 H40 Cu F3 N6 O2 -","- C70 H80 Cu2 F6 N12 O4 -","2","1","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.0624","0.0577","","","0.176","0.1812","","","","","","1.104","","","","has coordinates,has disorder","218557","2020-10-21","18:00:00",""
"7124209","9.3577","0.0009","12.385","0.0013","14.8513","0.0015","109.819","0.003","95.017","0.002","97.3442","0.0016","1590.1","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 Cu N4 O -","- C35 H41 Cu N4 O -","- C70 H82 Cu2 N8 O2 -","2","1","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.033","0.029","","","0.098","0.1123","","","","","","1.172","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124210","40.859","0.011","10.95","0.003","12.792","0.003","90","","90","","90","","5723","3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C55 H72 Cu2 F3 N7 O3 S -","- C55 H72 Cu2 F3 N7 O3 S -","- C220 H288 Cu8 F12 N28 O12 S4 -","4","1","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.1705","0.0921","","","0.2002","0.2357","","","","","","1.04","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124211","15.786","0.003","22.886","0.004","40.989","0.007","90","","90","","90","","14808","5","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35.25 H43.5 Cl0.5 Cu N6 O2 S -","- C35.25 H43.5 Cl0.5 Cu N6 O2 S -","- C564 H696 Cl8 Cu16 N96 O32 S16 -","16","2","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.238","0.0825","","","0.1906","0.2763","","","","","","1.007","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124212","9.3135","0.0007","10.7161","0.0008","17.3225","0.001","80.201","0.005","82.451","0.005","79.376","0.004","1665.5","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H78 Cu2 F6 N8 O4 S2 -","- C59 H78 Cu2 F6 N8 O4 S2 -","- C59 H78 Cu2 F6 N8 O4 S2 -","1","0.5","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.0549","0.0498","","","0.1572","0.1618","","","","","","1.088","","","","has coordinates,has disorder","218557","2020-10-21","18:00:00",""
"7124213","10.2797","0.0007","12.4184","0.001","16.0996","0.0018","85.056","0.009","75.371","0.007","71.777","0.007","1888.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Cu N6 O3 S -","- C38 H46 Cu N6 O3 S -","- C76 H92 Cu2 N12 O6 S2 -","2","1","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.0679","0.0481","","","0.1211","0.1309","","","","","","1.057","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124214","19.176","0.004","23.573","0.005","20.419","0.004","90","","92.82","0.004","90","","9219","3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H270 Cl2 Si10 Sn20 -","- C120 H270 Cl2 Si10 Sn20 -","- C240 H540 Cl4 Si20 Sn40 -","2","0.5","","Schnepf, Andreas; Schrenk, Claudio; Binder, Mareike","Sn20(SitBu3)10Cl2 ‒ the largest metalloid group 14 cluster shows a raspberry-like arrangement of smaller units","Chemical Communications","2019","","","","","10.1039/C9CC07099K","","x-ray","0.71073","MoKα","","0.1368","0.0708","","","0.1513","0.1901","","","","","","1.019","","","","has coordinates","218558","2020-10-21","18:00:00",""
"7124215","16.4067","0.001","17.1103","0.0011","10.8096","0.0007","90","","127.088","0.0014","90","","2420.7","0.3","93","0.2","93","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H31 Cl2 N2 Rh -","- C26 H30 Cl2 N2 Rh -","- C104 H120 Cl8 N8 Rh4 -","4","1","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0255","0.0253","","","0.0761","0.0766","","","","","","1.29","","","","has coordinates","218559","2020-10-21","18:00:00",""
"7124216","12.3574","0.0006","17.1055","0.0008","11.4148","0.0006","90","","90","","90","","2412.9","0.2","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H66 N4 O5 Rh2 -","- C56 H68 N4 O5 Rh2 -","- C112 H136 N8 O10 Rh4 -","2","0.5","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0214","0.021","","","0.0549","0.0551","","","","","","1.37","","","","has coordinates","218559","2020-10-21","18:00:00",""
"7124217","8.797","0.004","12.138","0.005","15.509","0.006","89.798","0.007","86.468","0.007","70.434","0.007","1557.2","1.1","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H42 N2 O4.5 Rh -","- C32 H37 N2 O4.5 Rh -","- C64 H74 N4 O9 Rh2 -","2","2","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0352","0.0348","","","0.09","0.0905","","","","","","1.042","","","","has coordinates,has disorder","218559","2020-10-21","18:00:00",""
"7124218","20.2556","0.0016","12.2123","0.001","13.039","0.0011","90","","111.67","0.001","90","","2997.5","0.4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H35 Cl2 N2 Rh -","- C34 H35 Cl2 N2 Rh -","- C136 H140 Cl8 N8 Rh4 -","4","1","","Ito, Jun-ichi; Ishihara, Takahiro; Fukuoka, Takaki; Binti Mat Napi, Siti Rokiah; Kameo, Hajime; Nishiyama, Hisao","Modulation of Coordination Geometry of NCN and NCNC Rh Complexes for Ambidextrous Chiral Catalysts","Chemical Communications","2019","","","","","10.1039/C9CC06520B","","","0.71073","MoKα","","0.0295","0.028","","","0.0669","0.0677","","","","","","1.045","","","","has coordinates","218559","2020-10-21","18:00:00",""
"7124219","11.3349","0.0006","13.9186","0.0007","16.1835","0.0008","67.849","0.005","83.386","0.004","89.464","0.004","2347.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N O2 S -","- C30 H23 N O2 S -","- C120 H92 N4 O8 S4 -","4","2","","Sun, Kai; Chen, Xiaolan; Zhang, Yinli; Li, Kai; Huang, Xian-Qiang; Peng, Yu-Yu; Qu, Lingbo; Yu, Bing","Metal-free Sulfonyl Radical-initiated Cascade Cyclization to Access Sulfonated Indolo[1,2-a]quinolines","Chemical Communications","2019","","","","","10.1039/C9CC06924K","","x-ray","1.54184","CuKα","","0.0736","0.0517","","","0.1373","0.1566","","","","","","1.03","","","","has coordinates,has disorder","218643","2020-10-21","18:00:00",""
"7124220","10.357","0.0006","8.1337","0.0004","14.8816","0.0008","90","","108.017","0.002","90","","1192.16","0.11","298","2","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C62 H50 N2 O4 S2 -","2","1","","Sun, Kai; Chen, Xiaolan; Zhang, Yinli; Li, Kai; Huang, Xian-Qiang; Peng, Yu-Yu; Qu, Lingbo; Yu, Bing","Metal-free Sulfonyl Radical-initiated Cascade Cyclization to Access Sulfonated Indolo[1,2-a]quinolines","Chemical Communications","2019","","","","","10.1039/C9CC06924K","","","0.71073","MoKα","","0.1416","0.1072","","","0.2598","0.2842","","","","","","1.102","","","","has coordinates","218643","2020-10-21","18:00:00",""
"7124221","10.3361","0.0008","15.599","0.0014","7.4565","0.0005","90","","105.716","0.008","90","","1157.29","0.16","296.83","0.1","296.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N2 O2 -","- C12 H13 F N2 O2 -","- C48 H52 F4 N8 O8 -","4","1","","He, Yan; Zheng, Zhi; Liu, Yajie; Qiao, Jiajie; Zhang, Xinying; Fan, Xuesen","Selective synthesis of β-nitrated N-heterocycles and N-nitroso-2-alkoxyamine aldehydes from inactivated cyclic amines promoted by tBuONO and oxoammonium salt","Chemical Communications","2019","","","","","10.1039/C9CC05963F","","x-ray","1.54184","CuKα","","0.0649","0.0493","","","0.1291","0.1557","","","","","","1.074","","","","has coordinates","218644","2020-10-21","18:00:00",""
"7124222","10.2304","0.0011","10.8156","0.0011","13.0482","0.0014","84.556","0.002","73.203","0.002","88.712","0.002","1375.9","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 F2 N3 O -","- C33 H31 F2 N3 O -","- C66 H62 F4 N6 O2 -","2","1","","Li, Chengkai; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao","Highly efficient cyclotrimerization of isocyanates by N- Heterocyclic Olefins under bulk condition","Chemical Communications","2019","","","","","10.1039/C9CC06402H","","","0.71073","MoKα","","0.0832","0.0574","","","0.1541","0.1808","","","","","","1.059","","","","has coordinates","218825","2020-10-21","18:00:00",""
"7124223","21.9389","0.0007","21.9389","0.0007","21.9389","0.0007","90","","90","","90","","10559.5","0.6","200","","200","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","PCN-250","catena-[hexakis(m-5,5'-((E)-diazenediyl)bis(benzene-1,3-dicarboxylato))-tetrakis(m-oxo)-dodeca-aqua-dodeca-iron unknown solvate]","","- C48 H29.64 Fe6 N6 O31.82 -","- C48 H29.64 Fe6 N6 O31.82 -","- C192 H118.56 Fe24 N24 O127.28 -","4","0.166667","","Drake, Hannah; Day, Gregory S.; Vali, Shaik Waseem; Xiao, Zhifeng; Banerjee, Sayan; Li, Jialuo; Joseph, Elizabeth; Kuszynski, Jason E.; Perry, Zachary; Kirchon, Angelo; Ozdemir, Osman; Lindahl, Paul; Zhou, Hong-Cai","The Thermally Induced Decarboxylation Mechanism of a Mixed-Oxidation State Carboxylate-Based Iron Metal-Organic Framework","Chemical Communications","2019","","","","","10.1039/C9CC04555D","","","0.7288","Synchrotron","","0.0309","0.0263","","","0.0716","0.0739","","","","","","1.088","","","","has coordinates","218826","2020-10-21","18:00:00",""
"7124224","21.9834","0.0005","21.9834","0.0005","21.9834","0.0005","90","","90","","90","","10623.9","0.4","200","","200","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","PCN-250","catena-[hexakis(m-5,5'-((E)-diazenediyl)bis(benzene-1,3-dicarboxylato))-tetrakis(m-oxo)-dodeca-aqua-dodeca-iron unknown solvate]","","- C48 H30 Fe6 N6 O32 -","- C48 H30 Fe6 N6 O32 -","- C192 H120 Fe24 N24 O128 -","4","0.166667","","Drake, Hannah; Day, Gregory S.; Vali, Shaik Waseem; Xiao, Zhifeng; Banerjee, Sayan; Li, Jialuo; Joseph, Elizabeth; Kuszynski, Jason E.; Perry, Zachary; Kirchon, Angelo; Ozdemir, Osman; Lindahl, Paul; Zhou, Hong-Cai","The Thermally Induced Decarboxylation Mechanism of a Mixed-Oxidation State Carboxylate-Based Iron Metal-Organic Framework","Chemical Communications","2019","","","","","10.1039/C9CC04555D","","","0.7288","Synchrotron","","0.0468","0.0414","","","0.116","0.1273","","","","","","1.102","","","","has coordinates","218826","2020-10-21","18:00:00",""
"7124225","9.349","0.003","11.095","0.003","21.794","0.006","90","","100.347","0.003","90","","2223.9","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl2 Cu N3 O11 -","- C16 H23 Cl2 Cu N3 O11 -","- C64 H92 Cl8 Cu4 N12 O44 -","4","1","","Oh, Hana; Choi, Suhyuk; Kim, Joo Yeon; Ahn, Hyun S.; Hong, Seungwoo","Stoichiometric and electrocatalytic production of hydrogen peroxide driven by a water-soluble copper(II) complex","Chemical Communications","2019","","","","","10.1039/C9CC06956A","","","0.71073","MoKα","","0.0709","0.0542","","","0.1401","0.1533","","","","","","1.069","","","","has coordinates","218827","2020-10-21","18:00:00",""
"7124226","19.2295","0.0003","7.9562","0.0002","27.8172","0.0005","90","","100.5","0.002","90","","4184.59","0.15","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 B F6 N9 O2 P Pt W -","- C33 H33 B F6 N9 O2 P Pt W -","- C132 H132 B4 F24 N36 O8 P4 Pt4 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin","Tungsten-Platinum μ-Carbido and μ-Methylidyne Complexes","Chemical Communications","2019","","","","","10.1039/C9CC06472A","","","1.54184","CuKα","","0.0451","0.0406","","","0.0992","0.1026","","","","","","1.064","","","","has coordinates,has disorder","218829","2020-10-21","18:00:00",""
"7124227","17.029","0.008","20.85","0.009","18.411","0.007","90","","112.825","0.007","90","","6025","4","100.033","0.002","100.033","0.002","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 B2 Cl4 N14 O4 Pt W2 -","- C49 H52 B2 Cl4 N14 O4 Pt W2 -","- C196 H208 B8 Cl16 N56 O16 Pt4 W8 -","4","1","","Hill, Anthony; Frogley, Benjamin","Tungsten-Platinum μ-Carbido and μ-Methylidyne Complexes","Chemical Communications","2019","","","","","10.1039/C9CC06472A","","","0.710918","Synchrotron","","0.1239","0.0782","","","0.1932","0.2202","","","","","","0.97","","","","has coordinates","218829","2020-10-21","18:00:00",""
"7124228","10.5256","0.0005","12.7095","0.0007","17.9699","0.0008","70.976","0.005","89.192","0.004","80.546","0.004","2239.8","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H49 B2 N13 O4 Pt W2 -","- C38 H49 B2 N13 O4 Pt W2 -","- C76 H98 B4 N26 O8 Pt2 W4 -","2","1","","Hill, Anthony; Frogley, Benjamin","Tungsten-Platinum μ-Carbido and μ-Methylidyne Complexes","Chemical Communications","2019","","","","","10.1039/C9CC06472A","","","1.54184","CuKα","","0.0447","0.039","","","0.0924","0.0959","","","","","","1.029","","","","has coordinates","218829","2020-10-21","18:00:00",""
"7124229","13.9823","0.0005","15.7734","0.0005","17.0202","0.0006","90","","94.432","0.002","90","","3742.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd2 N4 O8 -","- C38 H37 Cd2 N4 O8 -","- C152 H148 Cd8 N16 O32 -","4","1","","Pahari, Goutam; Bhattacharya, Biswajit; Reddy, C. Malla; Ghoshal, Debajyoti","A reversible photochemical solid-state transformation in an interpenetrated 3D metal‒organic framework with mechanical softness","Chemical Communications","2019","","","","","10.1039/C9CC04765D","","","0.71073","MoKα","","0.0779","0.0461","","","0.101","0.114","","","","","","1.041","","","","has coordinates,has disorder","218830","2020-10-21","18:00:00",""
"7124230","13.9867","0.0005","15.7579","0.0005","17.026","0.0005","90","","94.278","0.002","90","","3742.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd2 N4 O8 -","- C38 H37 Cd2 N4 O8 -","- C152 H148 Cd8 N16 O32 -","4","1","","Pahari, Goutam; Bhattacharya, Biswajit; Reddy, C. Malla; Ghoshal, Debajyoti","A reversible photochemical solid-state transformation in an interpenetrated 3D metal‒organic framework with mechanical softness","Chemical Communications","2019","","","","","10.1039/C9CC04765D","","","0.71073","MoKα","","0.0604","0.0423","","","0.0965","0.1059","","","","","","1.045","","","","has coordinates","218830","2020-10-21","18:00:00",""
"7124231","13.7767","0.0008","14.4557","0.0008","18.5563","0.0011","90","","91.428","0.004","90","","3694.4","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H40 Cd2 N4 O8 -","- C38 H40 Cd2 N4 O8 -","- C152 H160 Cd8 N16 O32 -","4","1","","Pahari, Goutam; Bhattacharya, Biswajit; Reddy, C. Malla; Ghoshal, Debajyoti","A reversible photochemical solid-state transformation in an interpenetrated 3D metal‒organic framework with mechanical softness","Chemical Communications","2019","","","","","10.1039/C9CC04765D","","","0.71073","MoKα","","0.0999","0.0711","","","0.1792","0.199","","","","","","1.034","","","","has coordinates","218830","2020-10-21","18:00:00",""
"7124232","10.941","0.002","16.435","0.003","15.416","0.003","90","","104.77","0.03","90","","2680.4","0.9","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mes-camary dimer","N-mesityl-isoindolinon-2-yl-dimer","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C136 H120 N8 O8 -","4","1","","Gildner, M. Brenton; Hudnall, Todd W.","Cyclic (Aryl)(Amido)carbenes: Pushing the π-Acidity of Amidocarbenes Through Benzannulation","Chemical Communications","2019","","","","","10.1039/C9CC05280A","","","0.71073","MoKα","","0.1164","0.0591","","","0.1172","0.1402","","","","","","1.018","","","","has coordinates","218831","2020-10-21","18:00:00",""
"7124233","8.073","0.0008","11.6945","0.0012","14.8493","0.0013","90","","90","","90","","1401.9","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mes-Camary-sulfur","N-mesityl-3-thiooisoindolin-1-one","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","1","","Gildner, M. Brenton; Hudnall, Todd W.","Cyclic (Aryl)(Amido)carbenes: Pushing the π-Acidity of Amidocarbenes Through Benzannulation","Chemical Communications","2019","","","","","10.1039/C9CC05280A","","x-ray","0.71073","MoKα","","0.0686","0.0503","","","0.1306","0.1455","","","","","","1.078","","","","has coordinates","218831","2020-10-21","18:00:00",""
"7124234","10.019","0.002","8.6626","0.0017","17.467","0.005","90","","101.67","0.03","90","","1484.6","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mesityl-Camary-Selenium","2-mesityl-3-selenoxoisoindolin-1-one","","- C17 H15 N O Se -","- C17 H15 N O Se -","- C68 H60 N4 O4 Se4 -","4","1","","Gildner, M. Brenton; Hudnall, Todd W.","Cyclic (Aryl)(Amido)carbenes: Pushing the π-Acidity of Amidocarbenes Through Benzannulation","Chemical Communications","2019","","","","","10.1039/C9CC05280A","","x-ray","0.71073","MoKα","","0.0858","0.0541","","","0.1219","0.1487","","","","","","0.98","","","","has coordinates","218831","2020-10-21","18:00:00",""
"7124235","7.524","0.007","14.474","0.013","16.108","0.015","90","","91.52","0.03","90","","1754","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O6 -","- C20 H17 N O6 -","- C80 H68 N4 O24 -","4","1","","Liang, Yong-Xin; Meng, Xiang-He Meng; Yang, Ming; Mehfooz, Haroon; Zhao, Yu-long","Zn(OAc)2-Catalyzed tandem cyclization of isocyanides, α-diazoketones, and anhydrides: a general route to polysubstituted maleimides","Chemical Communications","2019","","","","","10.1039/C9CC05802H","","","0.71073","MoKα","","0.045","0.0335","","","0.0754","0.0812","","","","","","1.039","","","","has coordinates","218880","2020-10-21","18:00:00",""
"7124236","12.176","0.002","14.488","0.002","23.065","0.004","90","","92.255","0.005","90","","4065.7","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H44 Co F16 N4 Si4 -","- C64 H44 Co F16 N4 Si4 -","- C128 H88 Co2 F32 N8 Si8 -","2","0.5","","Xu, Gelun; Lei, Haitao; Zhou, Guojun; Zhang, Chaochao; Xie, Lisi; Zhang, Wei; Cao, Rui","Boosting Hydrogen evolution by using covalent frameworks of fluorinated cobalt porphyrin supported on carbon nanotubes","Chemical Communications","2019","","","","","10.1039/C9CC06916J","","","0.71073","MoKα","","0.1584","0.1211","","","0.3037","0.3251","","","","","","1.048","","","","has coordinates","218881","2020-10-21","18:00:00",""
"7124237","7.2857","0.0004","11.4124","0.0006","20.6457","0.0011","90","","94.519","0.002","90","","1711.3","0.16","290","2","289.87","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 S2 -","- C18 H16 O3 S2 -","- C72 H64 O12 S8 -","4","1","","Meng, Xiangtai; Chen, Dengfeng; Cao, Xiaoji; Luo, Jinyue; Wang, Fei; Huang, Shenlin","Synthesis of Polysubstituted Cyclic 1,2-Diketones Enabled by Iterative Sulfoxide-Mediated Arylation","Chemical Communications","2019","","","","","10.1039/C9CC06505A","","","0.71073","MoKα","","0.1046","0.0649","","","0.1494","0.1764","","","","","","1.032","","","","has coordinates","218882","2020-10-21","18:00:00",""
"7124238","9.2472","0.0008","13.6858","0.0014","19.2652","0.0015","90","","90","","90","","2438.1","0.4","283","2","283.47","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 S2 -","- C29 H32 O3 S2 -","- C116 H128 O12 S8 -","4","1","","Meng, Xiangtai; Chen, Dengfeng; Cao, Xiaoji; Luo, Jinyue; Wang, Fei; Huang, Shenlin","Synthesis of Polysubstituted Cyclic 1,2-Diketones Enabled by Iterative Sulfoxide-Mediated Arylation","Chemical Communications","2019","","","","","10.1039/C9CC06505A","","","0.71073","MoKα","","0.1475","0.0638","","","0.11","0.1418","","","","","","1.047","","","","has coordinates","218882","2020-10-21","18:00:00",""
"7124239","18.92","0.003","6.6165","0.0009","29.427","0.004","90","","91.184","0.014","90","","3683","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Br Cl O2 S6 -","- C36 H24 Br Cl O2 S6 -","- C144 H96 Br4 Cl4 O8 S24 -","4","1","","Meng, Xiangtai; Chen, Dengfeng; Cao, Xiaoji; Luo, Jinyue; Wang, Fei; Huang, Shenlin","Synthesis of Polysubstituted Cyclic 1,2-Diketones Enabled by Iterative Sulfoxide-Mediated Arylation","Chemical Communications","2019","","","","","10.1039/C9CC06505A","","x-ray","0.71073","MoKα","","0.1201","0.0851","","","0.2035","0.2325","","","","","","1.042","","","","has coordinates","218882","2020-10-21","18:00:00",""
"7124240","20.1467","0.0013","22.7942","0.0013","14.9932","0.0009","90","","91.472","0.002","90","","6883","0.7","100","2","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H130 Bi6 I34 N12 O6 -","- C48 H132 Bi6 I34 N12 O6 -","- C96 H264 Bi12 I68 N24 O12 -","2","0.5","","Kou, Bo; Zhang, WeiChuan; Ji, Chengmin; Wu, Zhenyue; Zhang, Shuhua; Liu, Xitao; Luo, Junhua","Tunable Optical Absorption in Lead-Free Perovskite-Like Hybrids by Iodide Management","Chemical Communications","2019","","","","","10.1039/C9CC05365D","","","0.71073","MoKα","","0.1043","0.0877","","","0.237","0.2432","","","","","","1.092","","","","has coordinates","218885","2020-10-21","18:00:00",""
"7124241","10.4885","0.0007","24.8912","0.0017","12.3295","0.0009","90","","113.343","0.002","90","","2955.4","0.4","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Bi2 I8 N2 O -","- C8 H22 Bi2 I8 N2 O -","- C32 H88 Bi8 I32 N8 O4 -","4","1","","Kou, Bo; Zhang, WeiChuan; Ji, Chengmin; Wu, Zhenyue; Zhang, Shuhua; Liu, Xitao; Luo, Junhua","Tunable Optical Absorption in Lead-Free Perovskite-Like Hybrids by Iodide Management","Chemical Communications","2019","","","","","10.1039/C9CC05365D","","","0.71073","MoKα","","0.0985","0.0508","","","0.0991","0.1134","","","","","","1.008","","","","has coordinates","218885","2020-10-21","18:00:00",""
"7124242","15.7709","0.0007","22.3276","0.0012","24.5774","0.0013","90","","90","","90","","8654.4","0.8","100","2","99.99","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H44 Bi2 I10 N4 O2 -","- C16 H44 Bi2 I10 N4 O2 -","- C128 H352 Bi16 I80 N32 O16 -","8","1","","Kou, Bo; Zhang, WeiChuan; Ji, Chengmin; Wu, Zhenyue; Zhang, Shuhua; Liu, Xitao; Luo, Junhua","Tunable Optical Absorption in Lead-Free Perovskite-Like Hybrids by Iodide Management","Chemical Communications","2019","","","","","10.1039/C9CC05365D","","","0.71073","MoKα","","0.0339","0.0291","","","0.0671","0.0693","","","","","","1.086","","","","has coordinates","218885","2020-10-21","18:00:00",""
"7124243","12.74","0.003","12.982","0.003","13.026","0.003","64.27","0.03","79.31","0.03","78.76","0.03","1891.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H86 N2 O20 Ti4 -","- C58 H78 N2 O20 Ti4 -","- C58 H78 N2 O20 Ti4 -","1","0.5","","Liu, Pei-Yi; Cui, Li-Na; Yang, Lei; Shu, Xian-Ping; Zhu, Qin-Yu; Dai, Jie","Bio-compatible fluorescent nano TiO materials prepared from titanium-oxo-cluster precursors","Chemical Communications","2019","","","","","10.1039/C9CC06235A","","","0.71073","MoKα","","0.1074","0.0871","","","0.2014","0.2157","","","","","","1.119","","","","has coordinates","218886","2020-10-21","18:00:00",""
"7124244","11.383","0.002","12.183","0.002","14.906","0.003","90.01","0.03","98.41","0.03","95.11","0.03","2036.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 N2 O18 Ti4 -","- C78 H100 N2 O18 Ti4 -","- C78 H100 N2 O18 Ti4 -","1","0.5","","Liu, Pei-Yi; Cui, Li-Na; Yang, Lei; Shu, Xian-Ping; Zhu, Qin-Yu; Dai, Jie","Bio-compatible fluorescent nano TiO materials prepared from titanium-oxo-cluster precursors","Chemical Communications","2019","","","","","10.1039/C9CC06235A","","","0.71073","MoKα","","0.0726","0.0613","","","0.1686","0.1868","","","","","","1.108","","","","has coordinates","218886","2020-10-21","18:00:00",""
"7124245","15.836","0.002","11.5845","0.0014","18.08","0.002","90","","102.343","0.004","90","","3240.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 N2 O16 Ti4 -","- C56 H82 N2 O16 Ti4 -","- C112 H164 N4 O32 Ti8 -","2","0.5","","Liu, Pei-Yi; Cui, Li-Na; Yang, Lei; Shu, Xian-Ping; Zhu, Qin-Yu; Dai, Jie","Bio-compatible fluorescent nano TiO materials prepared from titanium-oxo-cluster precursors","Chemical Communications","2019","","","","","10.1039/C9CC06235A","","","0.71073","MoKα","","0.1066","0.0646","","","0.1588","0.1979","","","","","","1.064","","","","has coordinates","218886","2020-10-21","18:00:00",""
"7124246","21.2202","0.0011","12.708","0.0006","22.4553","0.0012","90","","110.496","0.002","90","","5672.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H177 La2 N4 O10 -","- C111 H177 La2 N4 O10 -","- C222 H354 La4 N8 O20 -","2","0.5","","Chang, Kejian; Dong, Yifan; Xu, Xin","Dihydrogen activation by intermolecular rare-earth aryloxide/N-heterocyclic carbene Lewis pairs","Chemical Communications","2019","","","","","10.1039/C9CC06676D","","","0.71073","MoKα","","0.0606","0.0402","","","0.1026","0.12","","","","","","1.12","","","","has coordinates","218887","2020-10-21","18:00:00",""
"7124247","21.6284","0.0007","14.1604","0.0005","20.9678","0.0007","90","","113.327","0.001","90","","5896.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H91 La N2 O3 -","- C61 H91 La N2 O3 -","- C244 H364 La4 N8 O12 -","4","1","","Chang, Kejian; Dong, Yifan; Xu, Xin","Dihydrogen activation by intermolecular rare-earth aryloxide/N-heterocyclic carbene Lewis pairs","Chemical Communications","2019","","","","","10.1039/C9CC06676D","","","0.71073","MoKα","","0.0484","0.0313","","","0.067","0.077","","","","","","1.078","","","","has coordinates","218887","2020-10-21","18:00:00",""
"7124248","26.151","0.005","10.682","0.002","14.443","0.003","90","","107.88","0.03","90","","3839.7","1.5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Cu2 N6 O16 -","- C32 H39.9972 Cl2 Cu2 N6 O15.9986 -","- C128 H159.989 Cl8 Cu8 N24 O63.9944 -","4","0.5","","Belle, Catherine; Isaac, James Alfred; Thibon-Pourret, Aurore; Durand, Amélie; Philouze, Christian; Le Poul, Nicolas","High-valent CuIICuIII Species in Action: Demonstration of Aliphatic C—H Bond Activation at Room Temperature","Chemical Communications","2019","","","","","10.1039/C9CC04422A","","x-ray","0.71073","MoKα","","0.0322","0.0252","","","0.0647","0.0708","","","","","","1.074","","","","has coordinates,has disorder","218921","2020-10-21","18:00:00",""
"7124249","13.9104","0.0009","21.1124","0.0007","17.7837","0.0007","90","","90.887","0.004","90","","5222.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H81 N2 O P Si3 -","- C56 H81 N2 O P Si3 -","- C224 H324 N8 O4 P4 Si12 -","4","1","","Guddorf, Benedikt J.; Mück-Lichtenfeld, Christian; Hepp, Alexander; Lips, Felicitas","Formation of an NHC-Stabilized Heterocyclic Housane and its Isomerization into a Cyclopentenyl Anion Analogue","Chemical Communications","2019","","","","","10.1039/C9CC07109A","","","0.71073","MoKα","","0.0543","0.0492","","","0.1311","0.1359","","","","","","1.04","","","","has coordinates","218922","2020-10-21","18:00:00",""
"7124250","12.4344","0.0006","14.9016","0.0007","16.3149","0.0007","89.305","0.001","68.416","0.001","88.941","0.001","2810.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H73 N2 O0 P Si3 -","- C52 H73 N2 P Si3 -","- C104 H146 N4 P2 Si6 -","2","1","","Guddorf, Benedikt J.; Mück-Lichtenfeld, Christian; Hepp, Alexander; Lips, Felicitas","Formation of an NHC-Stabilized Heterocyclic Housane and its Isomerization into a Cyclopentenyl Anion Analogue","Chemical Communications","2019","","","","","10.1039/C9CC07109A","","","0.71073","MoKα","","0.0548","0.0469","","","0.1208","0.1254","","","","","","1.077","","","","has coordinates","218922","2020-10-21","18:00:00",""
"7124251","14.1641","0.0008","14.7127","0.0009","19.0224","0.0012","69.805","0.002","71.09","0.002","70.621","0.002","3409.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 N2 O6 P Si3 W -","- C64 H88 N2 O6 P Si3 W -","- C128 H176 N4 O12 P2 Si6 W2 -","2","1","","Guddorf, Benedikt J.; Mück-Lichtenfeld, Christian; Hepp, Alexander; Lips, Felicitas","Formation of an NHC-Stabilized Heterocyclic Housane and its Isomerization into a Cyclopentenyl Anion Analogue","Chemical Communications","2019","","","","","10.1039/C9CC07109A","","","0.71073","MoKα","","0.0349","0.0324","","","0.0834","0.0847","","","","","","1.043","","","","has coordinates","218922","2020-10-21","18:00:00",""
"7124252","11.3214","0.0004","12.0761","0.0005","23.4333","0.0009","90.323","0.001","103.579","0.001","116.273","0.001","2770.35","0.19","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H52 Cl2 F6 N4 O6 Pd S2 -","- C49 H52 Cl2 F6 N4 O6 Pd S2 -","- C98 H104 Cl4 F12 N8 O12 Pd2 S4 -","2","1","","Plessius, Raoul; Orth, Nicole; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Reek, Joost N. H.; van der Vlugt, Jarl Ivar","Reversible Multi-Electron Storage in Dual-Site Redox-Active Supramolecular Cages","Chemical Communications","2019","","","","","10.1039/C9CC07138E","","","0.71073","MoKα","","0.0325","0.0292","","","0.0708","0.0729","","","","","","1.05","","","","has coordinates,has disorder","218923","2020-10-21","18:00:00",""
"7124253","40.579","0.002","12.5401","0.0007","24.303","0.0013","90","","121.629","0.002","90","","10530","1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H53 Cl3 F6 N4 O6 Pt S2 -","- C49.5 H53 Cl3 F6 N4 O6 Pt S2 -","- C396 H424 Cl24 F48 N32 O48 Pt8 S16 -","8","1","","Plessius, Raoul; Orth, Nicole; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Reek, Joost N. H.; van der Vlugt, Jarl Ivar","Reversible Multi-Electron Storage in Dual-Site Redox-Active Supramolecular Cages","Chemical Communications","2019","","","","","10.1039/C9CC07138E","","","0.71073","MoKα","","0.039","0.028","","","0.0517","0.0551","","","","","","1.056","","","","has coordinates,has disorder","218923","2020-10-21","18:00:00",""
"7124254","10.9181","0.0004","12.5117","0.0005","17.7197","0.0007","90","","90","","90","","2420.58","0.16","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br N4 O3 -","- C25 H25 Br N4 O3 -","- C100 H100 Br4 N16 O12 -","4","1","","Li, Wenjun; Yuan, Huijun; Li, Yao; Zhao, Hanhui; Yang, Zhihong; Li, Xin","Asymmetric Synthesis of Atropisomeric Pyrazole via an Enantioselective Reaction of Azonaphthalene with Pyrazolone","Chemical Communications","2019","","","","","10.1039/C9CC06360A","","x-ray","0.71073","MoKα","","0.0501","0.0379","","","0.0855","0.0915","","","","","","1.023","","","","has coordinates","218982","2020-10-21","18:00:00",""
"7124255","7.048","0.0002","12.9076","0.0003","18.7303","0.0005","90","","90","","90","","1703.95","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VL_785-1","","","- C16 H19 Br Cl N O3 -","- C16 H19 Br Cl N O3 -","- C64 H76 Br4 Cl4 N4 O12 -","4","1","","Laina, Victor; Perez, Ignacio; Fernández-Salas, José Antonio; Aleman, Jose","Nucleophilic Halo-Michael Addition under Lewis-Base Activation","Chemical Communications","2019","","","","","10.1039/C9CC07068K","","","0.71073","MoKα","","0.032","0.0284","","","0.074","0.0858","","","","","","1.192","","","","has coordinates","219042","2020-10-21","18:00:00",""
"7124256","9.5744","0.0003","12.8702","0.0006","18.8207","0.0009","107.276","0.004","98.664","0.003","97.376","0.003","2152.14","0.17","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 Br Eu N5 O22 -","- C30 H27 Br Eu N3 O8 -","- C60 H54 Br2 Eu2 N6 O16 -","2","1","","Yang, Xiao-Dong; Gao, Na; Ma, Shuai; Cui, Jing-Wang; Jia, Meng-Ze; Zhang, Jie","Photoinduced-electron-transfer-driven Surface Modification to Regulate Adsorption Behavior in A Pyridinium-decorated Metal−Organic Framework","Chemical Communications","2019","","","","","10.1039/C9CC06416H","","","0.71073","MoKα","","0.0688","0.0564","","","0.1566","0.1673","","","","","","1.036","","","","has coordinates","219043","2020-10-21","18:00:00",""
"7124257","9.176","0.005","10.351","0.005","11.107","0.006","96.843","0.009","108.663","0.009","113.73","0.008","876.8","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O5 -","- C22 H18 O5 -","- C44 H36 O10 -","2","1","","Peng, Xueke; Hu, Zhiye; Zhang, Jing; Ning, Wentao; Zhang, Silong; Dong, Chune; Shi, Xiaodong; Zhou, Haibing","Construction of Benzofuranone Library via Metal-Free, One-Pot Intermolecular Condensation and Their Application as Efficient Estrogen Receptor β Modulators","Chemical Communications","2019","","","","","10.1039/C9CC05756K","","","0.71073","MoKα","","0.1439","0.1305","","","0.3963","0.4022","","","","","","1.005","","","","has coordinates","219044","2020-10-21","18:00:00",""
"7124258","20.884","0.007","17.686","0.005","12.169","0.004","90","","115.529","0.005","90","","4056","2","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C208 H176 N16 O8 -","8","1","","Guo, Hongchao; Mao, Biming; Zhang, Junya; Xu, Yi; Yan, Zhengyang; Wang, Wei; Wu, Yongjun; Sun, Changqing; Zheng, Bing","Palladium-Catalyzed [3+2] Annulation of Allenyl Carbinol Acetates with C,N-Cyclic Azomethine Imines","Chemical Communications","2019","","","","","10.1039/C9CC06670E","","","0.71073","MoKα","","0.0849","0.0707","","","0.1323","0.1393","","","","","","1.188","","","","has coordinates,has disorder","219045","2020-10-21","18:00:00",""
"7124259","13.161","0.0013","15.4629","0.0015","24.04","0.002","90","","98.064","0.001","90","","4843.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H38 Eu F9 N2 O7 -","- C55 H38 Eu F9 N2 O7 -","- C220 H152 Eu4 F36 N8 O28 -","4","1","","Zhang, Jing; Li, Jing; Feng, Xin; Kong, Ming; Hu, Zhaobo; Zheng, You-Xuan; Song, You","Light-controlled efficient photoluminescence based on an europium β-diketonate with single-crystal-to-single-crystal [2+2] cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05227E","","","0.71073","MoKα","","0.0298","0.0248","","","0.058","0.0602","","","","","","1.043","","","","has coordinates","219046","2020-10-21","18:00:00",""
"7124260","13.1434","0.0011","15.3452","0.0013","23.763","0.002","90","","97.768","0.001","90","","4748.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H76 F18 Gd2 N4 O14 -","- C110 H76 F18 Gd2 N4 O14 -","- C220 H152 F36 Gd4 N8 O28 -","2","0.5","","Zhang, Jing; Li, Jing; Feng, Xin; Kong, Ming; Hu, Zhaobo; Zheng, You-Xuan; Song, You","Light-controlled efficient photoluminescence based on an europium β-diketonate with single-crystal-to-single-crystal [2+2] cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05227E","","","0.71073","MoKα","","0.0774","0.059","","","0.1542","0.1658","","","","","","1.026","","","","has coordinates","219046","2020-10-21","18:00:00",""
"7124261","13.1434","0.0011","15.3452","0.0013","23.763","0.002","90","","97.768","0.001","90","","4748.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H76 Eu2 F18 N4 O14 -","- C110 H76 Eu2 F18 N4 O14 -","- C220 H152 Eu4 F36 N8 O28 -","2","0.5","","Zhang, Jing; Li, Jing; Feng, Xin; Kong, Ming; Hu, Zhaobo; Zheng, You-Xuan; Song, You","Light-controlled efficient photoluminescence based on an europium β-diketonate with single-crystal-to-single-crystal [2+2] cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05227E","","","0.71073","MoKα","","0.0408","0.0359","","","0.0882","0.0915","","","","","","1.041","","","","has coordinates","219046","2020-10-21","18:00:00",""
"7124262","13.161","0.0013","15.4629","0.0015","24.04","0.002","90","","98.064","0.001","90","","4843.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H38 F9 Gd N2 O7 -","- C55 H38 F9 Gd N2 O7 -","- C220 H152 F36 Gd4 N8 O28 -","4","1","","Zhang, Jing; Li, Jing; Feng, Xin; Kong, Ming; Hu, Zhaobo; Zheng, You-Xuan; Song, You","Light-controlled efficient photoluminescence based on an europium β-diketonate with single-crystal-to-single-crystal [2+2] cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05227E","","","0.71073","MoKα","","0.0322","0.0246","","","0.0504","0.0527","","","","","","1.029","","","","has coordinates","219046","2020-10-21","18:00:00",""
"7124263","13.0614","0.0009","12.3133","0.0006","20.7087","0.0013","90","","105.427","0.004","90","","3210.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 B F12 P Rh -","- C33 H29 B F12 P Rh -","- C132 H116 B4 F48 P4 Rh4 -","4","1","","Boudjelel, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Strong metal-borane interactions in low-valent cyclopentadienyl Rhodium complexes","Chemical Communications","2019","","","","","10.1039/C9CC06639J","","","0.71073","MoKα","","0.0853","0.0472","","","0.1018","0.1196","","","","","","1.038","","","","has coordinates,has disorder","219047","2020-10-21","18:00:00",""
"7124264","14.0294","0.0005","17.6591","0.0007","15.134","0.0006","90","","94.309","0.002","90","","3738.8","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 B F12 P2 Rh -","- C36 H38 B F12 P2 Rh -","- C144 H152 B4 F48 P8 Rh4 -","4","1","","Boudjelel, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Strong metal-borane interactions in low-valent cyclopentadienyl Rhodium complexes","Chemical Communications","2019","","","","","10.1039/C9CC06639J","","","0.71073","MoKα","","0.0544","0.0387","","","0.0867","0.0954","","","","","","1.036","","","","has coordinates,has disorder","219047","2020-10-21","18:00:00",""
"7124265","11.1009","0.001","19.504","0.002","18.98","0.002","90","","100.359","0.003","90","","4042.4","0.7","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 B F12 N P Rh -","- C42 H38 B F12 N P Rh -","- C168 H152 B4 F48 N4 P4 Rh4 -","4","1","","Boudjelel, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Strong metal-borane interactions in low-valent cyclopentadienyl Rhodium complexes","Chemical Communications","2019","","","","","10.1039/C9CC06639J","","","0.71073","MoKα","","0.0568","0.0356","","","0.0789","0.0891","","","","","","1.02","","","","has coordinates,has disorder","219047","2020-10-21","18:00:00",""
"7124266","12.965","0.005","13.304","0.005","15.631","0.005","89.633","0.005","66.535","0.005","64.672","0.005","2191.3","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H43 Br Cl Cu Mn N7 O11 -","- C41 H43 Br Cl Cu Mn N7 O11 -","- C82 H86 Br2 Cl2 Cu2 Mn2 N14 O22 -","2","1","","Cao, Shuhua; Fan, Jiangli; Sun, Wen; Li, Fahui; Li, Kaoxue; Tai, Xi-Shi; Peng, Xiaojun","A Novel Mn-Cu Bimetallic Complex for Enhanced Chemodynamic Therapy with Simultaneous Glutathione Depletion","Chemical Communications","2019","","","","","10.1039/C9CC06040E","","","0.71073","MoKα","","0.0633","0.0494","","","0.1283","0.1373","","","","","","1.033","","","","has coordinates,has disorder","219048","2020-10-21","18:00:00",""
"7124267","12.7078","0.0013","15.6706","0.0015","18.6755","0.0018","90","","94.217","0.003","90","","3708.9","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Br Cl Cu N7 Ni O9 -","- C34 H33 Br Cl Cu N7 Ni O9 -","- C136 H132 Br4 Cl4 Cu4 N28 Ni4 O36 -","4","1","","Cao, Shuhua; Fan, Jiangli; Sun, Wen; Li, Fahui; Li, Kaoxue; Tai, Xi-Shi; Peng, Xiaojun","A Novel Mn-Cu Bimetallic Complex for Enhanced Chemodynamic Therapy with Simultaneous Glutathione Depletion","Chemical Communications","2019","","","","","10.1039/C9CC06040E","","","0.71073","MoKα","","0.2101","0.1165","","","0.2409","0.2798","","","","","","1.1","","","","has coordinates","219048","2020-10-21","18:00:00",""
"7124268","13.1606","0.0017","21.552","0.003","24.145","0.003","79.506","0.002","75.85","0.002","89.599","0.003","6524.5","1.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H35 Br Cl Cu N7 Ni O9 -","- C39 H35 Br Cl Cu N7 Ni O9 -","- C234 H210 Br6 Cl6 Cu6 N42 Ni6 O54 -","6","3","","Cao, Shuhua; Fan, Jiangli; Sun, Wen; Li, Fahui; Li, Kaoxue; Tai, Xi-Shi; Peng, Xiaojun","A Novel Mn-Cu Bimetallic Complex for Enhanced Chemodynamic Therapy with Simultaneous Glutathione Depletion","Chemical Communications","2019","","","","","10.1039/C9CC06040E","","","0.71073","MoKα","","0.1504","0.0695","","","0.1383","0.1584","","","","","","1.012","","","","has coordinates","219048","2020-10-21","18:00:00",""
"7124269","23.4972","0.0002","15.1546","0.0001","24.4653","0.0002","90","","114.523","0.001","90","","7926.01","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H113 Ca2 N4 Sn -","- C86 H113 Ca2 N4 Sn -","- C344 H452 Ca8 N16 Sn4 -","4","1","","Hill, Michael; Morris, Louis; McMullin, Claire L.; Mahon, Mary F.; Rajabi, Nasir A.; Manners, Ian","Calcium Stannyl Formation by Organostannane Dehydrogenation","Chemical Communications","2019","","","","","10.1039/C9CC07289F","","x-ray","1.54184","CuKα","","0.0374","0.0324","","","0.0834","0.087","","","","","","1.029","","","","has coordinates,has disorder","219080","2020-10-21","18:00:00",""
"7124270","11.7067","0.0003","13.9755","0.0004","17.1606","0.0005","76.575","0.003","86.913","0.002","76.718","0.002","2657.83","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C61 H72 Ca N2 Sn -","- C61 H72 Ca N2 Sn -","- C122 H144 Ca2 N4 Sn2 -","2","1","","Hill, Michael; Morris, Louis; McMullin, Claire L.; Mahon, Mary F.; Rajabi, Nasir A.; Manners, Ian","Calcium Stannyl Formation by Organostannane Dehydrogenation","Chemical Communications","2019","","","","","10.1039/C9CC07289F","","x-ray","1.54184","CuKα","","0.0454","0.0415","","","0.108","0.1117","","","","","","1.056","","","","has coordinates,has disorder","219080","2020-10-21","18:00:00",""
"7124271","8.9487","0.0003","20.3068","0.0007","17.8492","0.0008","90","","97.5939","0.0014","90","","3215.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 B2 N6 -","- C38 H38 B2 N6 -","- C152 H152 B8 N24 -","4","1","","Wang, Baolin; Koshino, Kota; Kinjo, Rei","Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile","Chemical Communications","2019","","","","","10.1039/C9CC06453B","","","0.71073","MoKα","","0.0829","0.0545","","","0.135","0.1499","","","","","","1.097","","","","has coordinates","219100","2020-10-21","18:00:00",""
"7124272","12.1073","0.0002","11.2713","0.0002","21.9583","0.0004","90","","98.2737","0.0008","90","","2965.35","0.09","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Au B2 N5 -","- C34 H32 Au B2 N5 -","- C136 H128 Au4 B8 N20 -","4","1","","Wang, Baolin; Koshino, Kota; Kinjo, Rei","Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile","Chemical Communications","2019","","","","","10.1039/C9CC06453B","","","1.54178","CuKα","","0.0346","0.0308","","","0.0865","0.0902","","","","","","1.095","","","","has coordinates","219100","2020-10-21","18:00:00",""
"7124273","11.299","0.0018","11.6148","0.0018","25.321","0.004","90","","102.163","0.004","90","","3248.4","0.9","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 B2 N6 -","- C40 H36 B2 N6 -","- C160 H144 B8 N24 -","4","1","","Wang, Baolin; Koshino, Kota; Kinjo, Rei","Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile","Chemical Communications","2019","","","","","10.1039/C9CC06453B","","","0.71073","MoKα","","0.1141","0.0709","","","0.1362","0.1516","","","","","","1.13","","","","has coordinates","219100","2020-10-21","18:00:00",""
"7124274","13.2614","0.0006","11.0676","0.0005","21.335","0.0009","90","","100.482","0.0015","90","","3079.1","0.2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 Au B2 Cl D6 N5 -","- C33 H25 Au B2 Cl D6 N5 -","- C132 H100 Au4 B8 Cl4 D24 N20 -","4","1","","Wang, Baolin; Koshino, Kota; Kinjo, Rei","Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile","Chemical Communications","2019","","","","","10.1039/C9CC06453B","","","0.71073","MoKα","","0.0535","0.0313","","","0.0663","0.0752","","","","","","1.046","","","","has coordinates","219100","2020-10-21","18:00:00",""
"7124275","14.7746","0.0003","17.3633","0.0004","30.4935","0.0006","88.524","0.002","86.188","0.002","65.006","0.002","7074.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","[Au7Ag9]n","","- C116 H84 Ag9 Au7 B F25 Fe3 O14 P6 -","- C116 H84 Ag9 Au7 B F25 Fe3 O14 P6 -","- C232 H168 Ag18 Au14 B2 F50 Fe6 O28 P12 -","2","1","","Wen, Zhao-Rui; Guan, Zong-Jie; Zhang, Ying; Lin, Yu-Mei; Wang, Quan-Ming","[Au7Ag9(dppf)3(CF3CO2)7BF4]n: A Linear Nanocluster Polymer from Molecular Au7Ag8 Clusters Covalently Linking by Silver Atoms","Chemical Communications","2019","","","","","10.1039/C9CC05924E","","","0.71073","MoKα","","0.1638","0.1468","","","0.3585","0.3668","","","","","","1.049","","","","has coordinates","219134","2020-10-21","18:00:00",""
"7124276","14.7","0.003","15.38","0.003","17.73","0.004","81.04","0.03","74.47","0.03","86.42","0.03","3814.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2",";Lu3N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Lu3 N5 Ni -","- C128 H56 Lu3 N5 Ni -","- C256 H112 Lu6 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.0785","0.0673","","","0.1964","0.2075","","","","","","1.101","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124277","14.78","0.003","15.48","0.003","17.86","0.004","81.2","0.03","74.11","0.03","86.2","0.03","3882.6","1.5","220","2","220","2","","","","","","","","5","P -1","-P 1","2",";Lu3N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Lu3 N5 Ni -","- C128 H56 Lu2.9988 N5 Ni -","- C256 H112 Lu5.9976 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.219","0.1576","","","0.3972","0.4704","","","","","","1.694","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124278","14.76","0.003","15.46","0.003","17.79","0.004","81.26","0.03","74.34","0.03","86.42","0.03","3862.4","1.5","190","2","190","2","","","","","","","","6","P -1","-P 1","2",";Ho2LuN@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Ho2 Lu N5 Ni -","- C128 H56 Ho2.0012 Lu0.9999 N5 Ni -","- C256 H112 Ho4.0024 Lu1.9998 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.0933","0.0808","","","0.2222","0.2372","","","","","","1.07","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124279","14.75","0.003","15.44","0.003","17.77","0.004","81.2","0.03","74.32","0.03","86.38","0.03","3849.5","1.5","160","2","160","2","","","","","","","","5","P -1","-P 1","2",";Lu3N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Lu3 N5 Ni -","- C128 H56 Lu2.9991 N5 Ni -","- C256 H112 Lu5.9982 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.1731","0.1212","","","0.322","0.4062","","","","","","1.503","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124280","14.81","0.003","15.5","0.003","17.94","0.004","81.15","0.03","73.94","0.03","86.15","0.03","3909.1","1.5","280","2","280","2","","","","","","","","6","P -1","-P 1","2",";Ho2LuN@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Ho2 Lu N5 Ni -","- C128 H56 Ho1.9998 Lu0.9994 N5 Ni -","- C256 H112 Ho3.9996 Lu1.9988 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.181","0.1462","","","0.418","0.4549","","","","","","1.868","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124281","14.75","0.003","15.43","0.003","17.76","0.004","81.21","0.03","74.41","0.03","86.49","0.03","3846.7","1.5","160","2","160","2","","","","","","","","6","P -1","-P 1","2",";Ho2LuN@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Ho2 Lu N5 Ni -","- C128 H56 Ho2 Lu0.9998 N5 Ni -","- C256 H112 Ho4 Lu1.9996 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.0877","0.0728","","","0.1996","0.2193","","","","","","1.087","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124282","14.7","0.003","15.38","0.003","17.73","0.004","81","0.03","74.53","0.03","86.56","0.03","3815","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2",";Ho2LuN@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Ho2 Lu N5 Ni -","- C128 H56 Ho2 Lu N5 Ni -","- C256 H112 Ho4 Lu2 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.055","0.0504","","","0.1388","0.1459","","","","","","1.057","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124283","14.8","0.003","15.49","0.003","17.89","0.004","81.2","0.03","74.06","0.03","86.21","0.03","3895.9","1.5","250","2","250","2","","","","","","","","6","P -1","-P 1","2",";Ho2LuN@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Ho2 Lu N5 Ni -","- C128 H56 Ho2.0002 Lu0.9996 N5 Ni -","- C256 H112 Ho4.0004 Lu1.9992 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.1618","0.1304","","","0.386","0.4232","","","","","","1.762","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124284","14.73","0.003","15.41","0.003","17.74","0.004","81.1","0.03","74.48","0.03","86.55","0.03","3832.5","1.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2",";Ho2LuN@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Ho2 Lu N5 Ni -","- C128 H56 Ho2.0002 Lu N5 Ni -","- C256 H112 Ho4.0004 Lu2 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.0717","0.0629","","","0.1685","0.182","","","","","","1.075","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124285","14.82","0.003","15.5","0.003","17.96","0.004","81.11","0.03","73.86","0.03","86.07","0.03","3914","1.5","280","2","280","2","","","","","","","","5","P -1","-P 1","2",";Lu3N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Lu3 N5 Ni -","- C128 H56 Lu2.9988 N5 Ni -","- C256 H112 Lu5.9976 N10 Ni2 -","2","1","","Liu, Fupin; Spree, Lukas","Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction","Chemical Communications","2019","","","","","10.1039/C9CC06363C","","","0.89429","synchrotron","","0.2262","0.1605","","","0.3967","0.4542","","","","","","1.399","","","","has coordinates,has disorder","219135","2020-10-21","18:00:00",""
"7124286","9.51375","0.00016","16.825","0.0003","22.3825","0.0006","90","","90","","90","","3582.74","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 Br2 N4 O4 -","- C38 H38 Br2 N4 O4 -","- C152 H152 Br8 N16 O16 -","4","1","","Li, Jiangtao; Gu, Ziwei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Asymmetric Aerobic Decarboxylative Povarov Reactions of N-Aryl α-Amino Acids with Methylenephthalimidines via Cooperative Photoredox and Chiral Brønsted Acid Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC07380A","","x-ray","1.54184","CuKα","","0.0505","0.045","","","0.1195","0.1262","","","","","","1.061","","","","has coordinates","219166","2020-10-21","18:00:00",""
"7124287","6.3224","0.0005","11.8122","0.001","24.672","0.002","90","","90","","90","","1842.5","0.3","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Li, Can; Liu, Yan; Wang, Kai; Ping, Chen; Zhang, Boyu; Guo, Wengang","Water Enables an Asymmetric Cross Reaction of α-Keto Acid to α-Keto Ester for the Synthesis of Quaternary Isotetronic Acid","Chemical Communications","2019","","","","","10.1039/C9CC06356K","","","0.71073","MoKα","","0.0389","0.0327","","","0.0783","0.0812","","","","","","1.051","","","","has coordinates,has disorder","219167","2020-10-21","18:00:00",""
"7124288","6.9606","0.0006","15.3498","0.001","9.8404","0.0007","90","","93.958","0.008","90","","1048.88","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F6 N2 O4 -","- C22 H16 F6 N2 O4 -","- C44 H32 F12 N4 O8 -","2","0.5","","Li, Zhengyu; Dong, Jingnan; Wang, Junwen; Yang, Ding-Yah; Weng, Zhiqiang","Elemental sulfur-promoted one-pot synthesis of 2-(2,2,2-trifluoroethyl)benzoxazoles and their derivatives","Chemical Communications","2019","","","","","10.1039/C9CC06822H","","","1.54184","CuKα","","0.0849","0.0558","","","0.1464","0.1735","","","","","","1.06","","","","has coordinates","219168","2020-10-21","18:00:00",""
"7124289","8.8272","0.0017","5.0631","0.001","12.707","0.002","90","","94.248","0.016","90","","566.35","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H8 Br F3 N2 S -","- C9 H8 Br F3 N2 S -","- C18 H16 Br2 F6 N4 S2 -","2","1","","Li, Zhengyu; Dong, Jingnan; Wang, Junwen; Yang, Ding-Yah; Weng, Zhiqiang","Elemental sulfur-promoted one-pot synthesis of 2-(2,2,2-trifluoroethyl)benzoxazoles and their derivatives","Chemical Communications","2019","","","","","10.1039/C9CC06822H","","","1.54184","CuKα","","0.0993","0.0707","","","0.1797","0.2252","","","","","","0.995","","","","has coordinates","219168","2020-10-21","18:00:00",""
"7124290","8.7458","0.0003","9.9923","0.0003","22.1097","0.0006","95.966","0.002","90.358","0.002","111.455","0.003","1786.5","0.1","119.98","0.11","119.98","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C60 H72 B4 F16 N20 O6 Pd2 -","- C60 H72 B4 F16 N20 O6 Pd2 -","- C60 H72 B4 F16 N20 O6 Pd2 -","1","0.5","","Preston, Dan; Inglis, Amanda R.; Garden, Anna L.; Kruger, Paul","A symmetry interaction approach to [M2L2]4+ metallocycles and their self-catenation","Chemical Communications","2019","","","","","10.1039/C9CC07130J","","x-ray","1.54184","CuKα","","0.061","0.0487","","","0.1207","0.131","","","","","","1.032","","","","has coordinates","219169","2020-10-21","18:00:00",""
"7124291","13.2862","0.0018","11.6119","0.0014","19.29","0.003","90","","98.741","0.005","90","","2941.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Au Cl O2 P3 Si3 -","- C21 H33 Au Cl O2 P3 Si3 -","- C84 H132 Au4 Cl4 O8 P12 Si12 -","4","1","","Giese, Steven; Buzsaki, Daniel; Nyulaszi, Laszlo; Muller, Christian","Four Consecutive Reactions in one Pot: Cascade Formation of an Unprecedented Triphosphatricyclo[3.2.1.02,7]oct-3-ene","Chemical Communications","2019","","","","","10.1039/C9CC07462G","","","0.71073","MoKα","","0.019","0.0169","","","0.0411","0.0415","","","","","","1.096","","","","has coordinates","219225","2020-10-21","18:00:00",""
"7124292","20.886","0.002","21.28","0.003","3.6073","0.0004","90","","90","","90","","1603.3","0.3","101","2","101","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C80 H48 O32 -","8","0.5","","Giese, Steven; Buzsaki, Daniel; Nyulaszi, Laszlo; Muller, Christian","Four Consecutive Reactions in one Pot: Cascade Formation of an Unprecedented Triphosphatricyclo[3.2.1.02,7]oct-3-ene","Chemical Communications","2019","","","","","10.1039/C9CC07462G","","","0.71073","MoKα","","0.0315","0.0279","","","0.0697","0.0727","","","","","","1.119","","","","has coordinates","219225","2020-10-21","18:00:00",""
"7124293","8.941","0.003","9.608","0.004","16.384","0.006","106.21","0.008","103.338","0.015","93.876","0.01","1301.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H33 O2 P3 Si3 -","- C21 H33 O2 P3 Si3 -","- C42 H66 O4 P6 Si6 -","2","1","","Giese, Steven; Buzsaki, Daniel; Nyulaszi, Laszlo; Muller, Christian","Four Consecutive Reactions in one Pot: Cascade Formation of an Unprecedented Triphosphatricyclo[3.2.1.02,7]oct-3-ene","Chemical Communications","2019","","","","","10.1039/C9CC07462G","","","0.71073","MoKα","","0.0343","0.0273","","","0.062","0.0647","","","","","","1.039","","","","has coordinates","219225","2020-10-21","18:00:00",""
"7124294","12.381","0.004","13.372","0.004","17.518","0.005","106.111","0.007","99.386","0.008","99.154","0.007","2684.4","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H66 Br Cu O4 P6 Si6 -","- C42 H66 Br Cu O4 P6 Si6 -","- C84 H132 Br2 Cu2 O8 P12 Si12 -","2","1","","Giese, Steven; Buzsaki, Daniel; Nyulaszi, Laszlo; Muller, Christian","Four Consecutive Reactions in one Pot: Cascade Formation of an Unprecedented Triphosphatricyclo[3.2.1.02,7]oct-3-ene","Chemical Communications","2019","","","","","10.1039/C9CC07462G","","","0.71073","MoKα","","0.0462","0.0314","","","0.0623","0.0671","","","","","","1.04","","","","has coordinates","219225","2020-10-21","18:00:00",""
"7124295","15.465","0.003","15.465","0.003","6.3597","0.0013","90","","90","","120","","1317.2","0.5","293","2","293","2","","","","","","","","5","P 62","P 62","171","","","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C36 H30 N12 O12 Zn3 -","3","0.5","","Hou, Hongwei; Shao, Chao Zhi; Yu, Cai-Xia; Xie, Qiong; Wu, Qiong; Zhao, Yujie","Porous functionalized MOF self-evolution promoting molecule encapsulation and Hg2+ removal","Chemical Communications","2019","","","","","10.1039/C9CC06849J","","","0.71073","MoKα","","0.0192","0.019","","","0.0459","0.0461","","","","","","0.777","","","","has coordinates","219226","2020-10-21","18:00:00",""
"7124296","14.7391","0.0005","14.7855","0.0005","9.8812","0.0004","90","","90","","90","","2153.36","0.14","273.15","","273.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","1","","Hou, Hongwei; Shao, Chao Zhi; Yu, Cai-Xia; Xie, Qiong; Wu, Qiong; Zhao, Yujie","Porous functionalized MOF self-evolution promoting molecule encapsulation and Hg2+ removal","Chemical Communications","2019","","","","","10.1039/C9CC06849J","","","0.71073","MoKα","","0.0299","0.0273","","","0.0842","0.0867","","","","","","1.074","","","","has coordinates","219226","2020-10-21","18:00:00",""
"7124297","24.556","0.005","39.353","0.008","34.244","0.007","90","","110.06","0.03","90","","31084","12","190","1","190","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cluster-1","","- C280 H378 Nd42 O238 -","- C280 H378 Nd42 O238 -","- C560 H756 Nd84 O476 -","2","0.5","","Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Jiang, Dongmei; Liu, Jieni; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","Large Ln42 coordination nanorings: NIR luminescent sensing of metal ions and nitro explosives","Chemical Communications","2019","","","","","10.1039/C9CC07430A","","","0.71073","MoKα","","0.1132","0.0667","","","0.1696","0.1925","","","","","","0.983","","","","has coordinates","219262","2020-10-21","18:00:00",""
"7124298","24.689","0.005","39.712","0.008","34.537","0.007","90","","109.93","0.03","90","","31834","13","190","1","190","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cluster-2","","- C280 H378 La42 O238 -","- C280 H378 La42 O238 -","- C560 H756 La84 O476 -","2","0.5","","Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Jiang, Dongmei; Liu, Jieni; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","Large Ln42 coordination nanorings: NIR luminescent sensing of metal ions and nitro explosives","Chemical Communications","2019","","","","","10.1039/C9CC07430A","","","0.71073","MoKα","","0.1048","0.0626","","","0.1496","0.1651","","","","","","0.961","","","","has coordinates","219262","2020-10-21","18:00:00",""
"7124299","5.7489","0.0004","10.8111","0.0007","22.1649","0.0014","90","","90","","90","","1377.59","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","","Phan Thi Thanh , Nga; Tone, Masaya; Inoue, Hayato; Fujisawa, Ikuhide; Iwasa, Seiji","Highly Stereoselective Intramolecular Buchner Reaction of Diazoacetamides Catalyzed by a Ru(II)-Pheox Complex","Chemical Communications","2019","","","","","10.1039/C9CC06889A","","x-ray","0.71075","MoKα","","0.0422","0.0365","","","0.0854","0.0895","","","","","","1.08","","","","has coordinates","219263","2020-10-21","18:00:00",""
"7124300","7.647","0.007","21.749","0.019","7.647","","90","","90.142","0.001","90","","1271.8","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","","Jiang, Bo; Zhang, Tian-Shu; Zhang, Hongping; Fu, Rong; Wang, Jianyi; Hao, Wen-Juan; Tu, Shu-Jiang","tert-Butyl peroxide (TBHP)/KI-mediated dual C(sp2)-H bond amination of arylamines with α-diazo carbonyls toward 1,2,4-benzotriazines","Chemical Communications","2019","","","","","10.1039/C9CC07236E","","","0.71073","MoKα","","0.1277","0.0505","","","0.0897","0.1095","","","","","","1.018","","","","has coordinates","219300","2020-10-21","18:00:00",""
"7124301","5.93","0.0001","8.7765","0.0002","24.7421","0.0006","90","","90","","90","","1287.69","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans","Chemical Communications","2019","","","","","10.1039/C9CC07204G","","","1.54178","CuKα","","0.0424","0.0387","","","0.1033","0.1079","","","","","","1.046","","","","has coordinates","219301","2020-10-21","18:00:00",""
"7124302","4.6461","0.0006","11.4107","0.0016","24.622","0.003","90","","90","","90","","1305.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans","Chemical Communications","2019","","","","","10.1039/C9CC07204G","","","1.54178","CuKα","","0.0661","0.0562","","","0.1556","0.1632","","","","","","1.158","","","","has coordinates","219301","2020-10-21","18:00:00",""
"7124303","9.4768","0.0004","10.9099","0.0004","13.1313","0.0005","113.798","0.003","91.992","0.004","112.004","0.004","1123.73","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 Si -","- C28 H28 N2 Si -","- C56 H56 N4 Si2 -","2","1","","Dong, Yafang; Takata, Yuta; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Lewis Acid-Catalyzed Synthesis of Silafluorene Derivatives from Biphenyls and Dihydrosilanes via Double Sila-Friedel-Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC07692A","","x-ray","0.71073","MoKα","","0.0467","0.0402","","","0.106","0.11","","","","","","1.085","","","","has coordinates","219314","2020-10-21","18:00:00",""
"7124304","8.868","0.005","8.948","0.005","10.107","0.006","84.918","0.004","66.058","0.004","61.274","0.004","637.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-3-(2-((1H-pyrazol-1-yl)methyl)phenyl)acrylate","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","","Kim, Hyewon; Thombal, Raju S.; Khanal, Hari Datta; Lee, Yong Rok","Rhodium(III)-catalyzed regioselective distal ortho C-H alkenylation of N-benzyl/furanylmethylpyrazoles directed by N-coordinating heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC06758B","","","0.71073","MoKα","","0.1219","0.0664","","","0.1336","0.1556","","","","","","1.095","","","","has coordinates","219336","2020-10-21","18:00:00",""
"7124305","7.423","0.005","10.929","0.007","10.931","0.007","106.755","0.004","107.442","0.004","108.018","0.004","730.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-3-(2-((1H-indazol-1-yl)methyl)phenyl)acrylate","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Kim, Hyewon; Thombal, Raju S.; Khanal, Hari Datta; Lee, Yong Rok","Rhodium(III)-catalyzed regioselective distal ortho C-H alkenylation of N-benzyl/furanylmethylpyrazoles directed by N-coordinating heterocycles","Chemical Communications","2019","","","","","10.1039/C9CC06758B","","","0.71073","MoKα","","0.1008","0.0576","","","0.1104","0.1248","","","","","","1.062","","","","has coordinates","219336","2020-10-21","18:00:00",""
"7124306","30.109","0.006","29.594","0.006","33.02","0.007","90","","90","","90","","29422","10","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C230 H409 Cl2 N27 O72 V24 Yb2 -","- C198 H329 Cl2 N27 O64 V24 Yb2 -","- C792 H1316 Cl8 N108 O256 V96 Yb8 -","4","0.5","","Pütt, Ricarda; Qiu, Xinkai; Kozłowski, Piotr; Gildenast, Hans; Linnenberg, Oliver; Zahn, Stefan; Chiechi, Ryan; Monakhov, Kirill","Self-assembled monolayers of polyoxovanadates with phthalocyaninato lanthanide moieties on gold surfaces","Chemical Communications","2019","","","","","10.1039/C9CC06852J","","","0.71073","MoKα","","0.1053","0.0671","","","0.1923","0.2284","","","","","","0.744","","","","has coordinates,has disorder","219337","2020-10-21","18:00:00",""
"7124307","14.84","0.003","14.84","0.003","35.452","0.008","90","","90","","90","","7807","3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C120 H152 Cl N23 O32 V12 Yb2 -","- C116 H146 Cl N21 O32 V12 Yb2 -","- C232 H292 Cl2 N42 O64 V24 Yb4 -","2","0.25","","Pütt, Ricarda; Qiu, Xinkai; Kozłowski, Piotr; Gildenast, Hans; Linnenberg, Oliver; Zahn, Stefan; Chiechi, Ryan; Monakhov, Kirill","Self-assembled monolayers of polyoxovanadates with phthalocyaninato lanthanide moieties on gold surfaces","Chemical Communications","2019","","","","","10.1039/C9CC06852J","","","0.71073","MoKα","","0.1102","0.0777","","","0.2085","0.2347","","","","","","1.056","","","","has coordinates,has disorder","219337","2020-10-21","18:00:00",""
"7124308","7.5711","0.0004","14.0965","0.0008","13.1401","0.0007","90","","90.629","0.005","90","","1402.31","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Compound 7m","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","0.5","","Bhabak, Krishna Pada; Bhattacherjee, Debojit; Sufian, Abu; Mahato, Sulendar K.; Begum, Samiyara; Banerjee, Kaustav; De, Sharmistha; Srivastava, Hemant Kumar","Trisulfides over Disulfides: Highly Selective Synthetic Strategies, Anti-proliferative Activities and Sustained H2S Release Profiles","Chemical Communications","2019","","","","","10.1039/C9CC05562B","","","0.71073","MoKα","","0.0509","0.0414","","","0.1022","0.1092","","","","","","1.072","","","","has coordinates","219369","2020-10-21","18:00:00",""
"7124309","4.6759","0.0012","14.355","0.004","12.253","0.004","90","","90.12","0.02","90","","822.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Compound 5m","","- C14 H12 N2 O4 S3 -","- C14 H12 N2 O4 S3 -","- C28 H24 N4 O8 S6 -","2","1","","Bhabak, Krishna Pada; Bhattacherjee, Debojit; Sufian, Abu; Mahato, Sulendar K.; Begum, Samiyara; Banerjee, Kaustav; De, Sharmistha; Srivastava, Hemant Kumar","Trisulfides over Disulfides: Highly Selective Synthetic Strategies, Anti-proliferative Activities and Sustained H2S Release Profiles","Chemical Communications","2019","","","","","10.1039/C9CC05562B","","","0.71073","MoKα","","0.0998","0.0467","","","0.1084","0.127","","","","","","0.904","","","","has coordinates","219369","2020-10-21","18:00:00",""
"7124310","13.6592","0.0005","7.8745","0.0003","14.1331","0.0005","90","","99.026","0.002","90","","1501.32","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Compound 6m","","- C14 H12 N2 O4 S2 -","- C14 H12 N2 O4 S2 -","- C56 H48 N8 O16 S8 -","4","1","","Bhabak, Krishna Pada; Bhattacherjee, Debojit; Sufian, Abu; Mahato, Sulendar K.; Begum, Samiyara; Banerjee, Kaustav; De, Sharmistha; Srivastava, Hemant Kumar","Trisulfides over Disulfides: Highly Selective Synthetic Strategies, Anti-proliferative Activities and Sustained H2S Release Profiles","Chemical Communications","2019","","","","","10.1039/C9CC05562B","","","0.71073","MoKα","","0.0582","0.0418","","","0.1089","0.1174","","","","","","1.089","","","","has coordinates","219369","2020-10-21","18:00:00",""
"7124311","8.014","0.0003","8.014","0.0003","6.4519","0.0003","90","","90","","90","","414.37","0.03","100","2","100","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- Be H12 N10 -","- Be H12 N10 -","- Be2 H24 N20 -","2","0.125","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0339","0.0334","","","0.0945","0.0946","","","","","","1.188","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124312","6.8278","0.0002","12.2863","0.0002","6.9291","0.0002","90","","101.446","0.002","90","","569.71","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","diamminberylliumbromide","","","- Be Br2 H6 N2 -","- Be Br2 H6 N2 -","- Be4 Br8 H24 N8 -","4","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0215","0.0195","","","0.0498","0.0507","","","","","","1.056","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124313","9.9007","0.0002","7.3274","0.0002","12.7965","0.0003","90","","90","","90","","928.34","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Be H12 I2 N4 -","- Be H12 I2 N4 -","- Be4 H48 I8 N16 -","4","0.5","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0412","0.0407","","","0.1116","0.1123","","","","","","1.186","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124314","10.445","0.0002","11.5311","0.0002","16.3117","0.0005","90","","101.353","0.002","90","","1926.18","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Be Br2 H36 N12 -","- Be Br2 H36 N12 -","- Be4 Br8 H144 N48 -","4","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0265","0.0234","","","0.0586","0.06","","","","","","1.05","","","","has coordinates,has disorder","219370","2020-10-21","18:00:00",""
"7124315","7.2739","0.0004","13.1326","0.0006","7.3586","0.0004","90","","102.674","0.005","90","","685.8","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Be H6 I2 N2 -","- Be H6 I2 N2 -","- Be4 H24 I8 N8 -","4","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.064","0.0485","","","0.117","0.1285","","","","","","1.053","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124316","9.5332","0.0002","6.9355","0.0001","12.2289","0.0003","90","","90","","90","","808.54","0.03","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetramminberylliumbromide","","- Be Br2 H12 N4 -","- Be Br2 H12 N4 -","- Be4 Br8 H48 N16 -","4","0.5","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0178","0.0175","","","0.045","0.0451","","","","","","1.19","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124317","6.5519","0.0002","11.8065","0.0003","6.6589","0.0002","90","","100.321","0.003","90","","506.76","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Be Cl2 H6 N2 -","- Be Cl2 H6 N2 -","- Be4 Cl8 H24 N8 -","4","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0368","0.0338","","","0.0918","0.0957","","","","","","1.097","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124318","11.9956","0.0005","11.799","0.0004","13.2171","0.0005","90","","90","","90","","1870.7","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H12 Be N6 S2 -","- C2 H12 Be N6 S2 -","- C16 H96 Be8 N48 S16 -","8","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0244","0.0204","","","0.0541","0.0556","","","","","","0.992","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124319","9.1188","0.0003","12.6103","0.0006","6.9022","0.0003","90","","90","","90","","793.69","0.06","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H12 Be N6 -","- C2 H12 Be N6 -","- C8 H48 Be4 N24 -","4","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0457","0.0336","","","0.0813","0.0866","","","","","","0.998","","","","has coordinates,has disorder","219370","2020-10-21","18:00:00",""
"7124320","7.0691","0.0002","18.6278","0.0005","8.7985","0.0003","90","","109.625","0.001","90","","1091.3","0.06","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl2 F8 N2 O2 Pd -","- C18 H18 Cl2 F8 N2 O2 Pd -","- C36 H36 Cl4 F16 N4 O4 Pd2 -","2","0.5","","Elakkat, Vijayanath; Chang, Chu-Jun; Chen, Jun-Yu; Fang, Yung-Cheng; Shen, Chia-Rui; LIU, Ling-Kang; Lu, Norman","The first two examples of halogen bonding with a sigma hole-donating fluorine in Csp3-F…Osp3 interaction from polyfluorinated trans-dihalo-palladium(II) di-substituted pyridine complexes","Chemical Communications","2019","","","","","10.1039/C9CC06731K","","","0.71073","MoKα","","0.0239","0.0211","","","0.0479","0.0498","","","","","","1.054","","","","has coordinates","219371","2020-10-21","18:00:00",""
"7124321","7.2992","0.0003","18.6059","0.0007","8.7965","0.0004","90","","110.215","0.002","90","","1121.05","0.08","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br2 F8 N2 O2 Pd -","- C18 H18 Br2 F8 N2 O2 Pd -","- C36 H36 Br4 F16 N4 O4 Pd2 -","2","0.5","","Elakkat, Vijayanath; Chang, Chu-Jun; Chen, Jun-Yu; Fang, Yung-Cheng; Shen, Chia-Rui; LIU, Ling-Kang; Lu, Norman","The first two examples of halogen bonding with a sigma hole-donating fluorine in Csp3-F…Osp3 interaction from polyfluorinated trans-dihalo-palladium(II) di-substituted pyridine complexes","Chemical Communications","2019","","","","","10.1039/C9CC06731K","","","0.71073","MoKα","","0.0163","0.0153","","","0.037","0.0373","","","","","","1.081","","","","has coordinates","219371","2020-10-21","18:00:00",""
"7124322","11.7737","0.0008","11.782","0.0008","17.9734","0.0008","96.427","0.005","101.078","0.005","109.297","0.006","2267.5","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","7,8-dipropyl-2-tosyl-2,3,6,8a-tetrahydro-1H-3a,6-epoxycyclohepta[c]pyrrole","","- C24 H33 N O3 S -","- C24 H33 N O3 S -","- C96 H132 N4 O12 S4 -","4","2","","Drew, Melanie; Arndt, Sebastian; Richardson, Christopher; Rudolph, Matthias; Hashmi, Stephen; Hyland, Christopher James Timothy","Divergent Gold-catalyzed Reactions of Cyclopropenylmethyl Sulfonamides with Tethered Heteroaromatics","Chemical Communications","2019","","","","","10.1039/C9CC06241F","","x-ray","0.71073","MoKα","","0.1465","0.0796","","","0.1393","0.1597","","","","","","1.045","","","","has coordinates,has disorder","219372","2020-10-21","18:00:00",""
"7124323","7.9109","0.0004","13.3891","0.0006","14.4067","0.0009","71.699","0.005","75.057","0.005","78.424","0.004","1387.81","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","(E)-9-methyl-4-(oct-4-en-4-yl)-2-tosyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","","- C27 H34 N2 O2 S -","- C27 H34 N2 O2 S -","- C54 H68 N4 O4 S2 -","2","1","","Drew, Melanie; Arndt, Sebastian; Richardson, Christopher; Rudolph, Matthias; Hashmi, Stephen; Hyland, Christopher James Timothy","Divergent Gold-catalyzed Reactions of Cyclopropenylmethyl Sulfonamides with Tethered Heteroaromatics","Chemical Communications","2019","","","","","10.1039/C9CC06241F","","x-ray","0.71073","MoKα","","0.0691","0.0482","","","0.1275","0.1366","","","","","","1.058","","","","has coordinates,has disorder","219372","2020-10-21","18:00:00",""
"7124324","7.0071","0.0005","8.4037","0.0007","28.7235","0.0019","90","","90","","90","","1691.4","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C72 H64 Cl8 O16 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0516","0.0423","","","0.097","0.1172","","","","","","1.104","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124325","8.9103","0.0003","13.8372","0.0005","20.3954","0.0007","90","","98.621","0.003","90","","2486.21","0.15","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 O4 -","- C32 H28 O4 -","- C128 H112 O16 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","1.54184","CuKα","","0.0919","0.0622","","","0.1495","0.1736","","","","","","1.059","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124326","18.7764","0.0019","7.2681","0.0005","12.7018","0.0011","90","","101.273","0.009","90","","1700","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br2 O4 -","- C18 H16 Br2 O4 -","- C72 H64 Br8 O16 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0933","0.0575","","","0.1378","0.1902","","","","","","1.13","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124327","14.5511","0.0008","7.0251","0.0003","17.6664","0.0009","90","","112.931","0.007","90","","1663.2","0.17","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 O3 -","- C18 H16 Cl2 O3 -","- C72 H64 Cl8 O12 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0493","0.0379","","","0.1098","0.1417","","","","","","1.162","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124328","18.3597","0.0009","7.1062","0.0004","12.2665","0.0006","90","","106.841","0.005","90","","1531.75","0.14","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 O3 -","- C17 H16 Cl2 O3 -","- C68 H64 Cl8 O12 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0619","0.0464","","","0.1051","0.1164","","","","","","1.04","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124329","18.4503","0.0008","7.2258","0.0003","12.36","0.0006","90","","106.686","0.005","90","","1578.43","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 Br2 O3 -","- C17 Br2 O3 -","- C68 Br8 O12 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0509","0.0466","","","0.1218","0.1276","","","","","","1.105","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124330","18.0534","0.0007","7.3013","0.0003","12.5575","0.0006","90","","110.171","0.005","90","","1553.73","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 O2 -","- C17 H16 Br2 O2 -","- C68 H64 Br8 O8 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0329","0.0262","","","0.0604","0.063","","","","","","1.046","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124331","12.9918","0.0005","7.129","0.0003","16.6483","0.0006","90","","96.41","0.003","90","","1532.3","0.1","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 Cl4 N2 O8 -","- C32 H26 Cl4 N2 O8 -","- C64 H52 Cl8 N4 O16 -","2","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0484","0.0409","","","0.0804","0.0858","","","","","","1.037","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124332","8.0044","0.0005","11.4822","0.0008","16.6812","0.0011","80.569","0.006","84.056","0.005","72.088","0.006","1436.8","0.17","293.43","0.1","293.43","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 B Cl F2 O2 S3 -","- C26 H22 B Cl F2 O2 S3 -","- C52 H44 B2 Cl2 F4 O4 S6 -","2","1","","Li, Ziyong; Dai, Yijie; Lu, Zhiqiang; Pei, Yingying; Chen, Hong; Zhang, Lilei; Duan, Ying; Guo, Hui","Efficient Green Light-Excited Switches Based on Dithienylethenes with BF2-doped π-Conjugated Systems","Chemical Communications","2019","","","","","10.1039/C9CC06838D","","x-ray","0.71073","MoKα","","0.1863","0.1213","","","0.3805","0.4227","","","","","","1.321","","","","has coordinates","219374","2020-10-21","18:00:00",""
"7124333","18.085","0.004","9.7655","0.0019","17.955","0.004","90","","115.852","0.015","90","","2853.7","1.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Lv, Yunhe; Pu, Weiya; Liu, Xueru; Sun, Jinye; Cui, Mengxing","Copper-catalyzed 1,1-arylalkylation of terminal alkynes with diazo esters and organoboronic acids","Chemical Communications","2019","","","","","10.1039/C9CC07461A","","","0.71073","MoKα","","0.0729","0.044","","","0.1131","0.1346","","","","","","1.012","","","","has coordinates","219401","2020-10-21","18:00:00",""
"7124334","8.8709","0.001","24.886","0.003","9.1415","0.0009","90","","109.974","0.004","90","","1896.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O3 -","- C24 H16 N2 O3 -","- C96 H64 N8 O12 -","4","1","","zhou, cong; Dong, Yaqun; Yu, Jin-Tao; Sun, Song; Cheng, Jiang","Palladium/copper-catalyzed multicomponent reactions of propargylic amides, halohydrocarbons and CO2 toward functionalized oxazolidine-2,4-diones","Chemical Communications","2019","","","","","10.1039/C9CC07027C","","","0.71073","MoKα","","0.132","0.1158","","","0.2364","0.2441","","","","","","1.186","","","","has coordinates","219402","2020-10-21","18:00:00",""
"7124335","20.5383","0.0009","12.5927","0.0005","33.4495","0.0014","90","","106.533","0.002","90","","8293.5","0.6","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Bis{bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)}-bis(μ-hydrido)]-[([3,5-dimethyl-2-(3-{[3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-1-yl]boranyl}imidazol-2-ylidene-1-yl)phenyl]methyl)-tantalum(III)]-bis(μ-hydrido)-(μ-hydrido)","","- C72 H88 B3 N12 Ta3 -","- C72 H88 B3 N12 Ta3 -","- C288 H352 B12 N48 Ta12 -","4","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.71073","MoKα","","0.0935","0.0566","","","0.0912","0.1011","","","","","","1.012","","","","has coordinates,has disorder","219403","2020-10-21","18:00:00",""
"7124336","39.4861","0.0015","8.8759","0.0004","9.4907","0.0004","90","","90","","90","","3326.2","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tetramethyl-tantalum(V)","","- C35 H48 B N4 Ta -","- C35 H48 B N4 Ta -","- C140 H192 B4 N16 Ta4 -","4","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.7288","synchrotron","","0.0271","0.0243","","","0.0523","0.0533","","","","","","1.044","","","","has coordinates","219403","2020-10-21","18:00:00",""
"7124337","16.6448","0.0003","17.7225","0.0004","18.6699","0.0004","90","","96.747","0.002","90","","5469.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-chlorido-tantalum(IV)]-tetrakis(μ-hydrido)","","- C55 H68 B2 Cl2 N8 Ta2 -","- C55 H68 B2 Cl2 N8 Ta2 -","- C220 H272 B8 Cl8 N32 Ta8 -","4","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.71073","MoKα","","0.0357","0.0268","","","0.0621","0.0654","","","","","","1.04","","","","has coordinates","219403","2020-10-21","18:00:00",""
"7124338","13.8721","0.0004","28.0792","0.0008","44.8293","0.0012","90","","90.941","0.002","90","","17459.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)]-bis(μ-hydrido)-( μ-η4:η4-toluene)","","- C183 H240 B6 N24 Ta6 -","- C183 H240 B6 N24 Ta6 -","- C732 H960 B24 N96 Ta24 -","4","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.71073","MoKα","","0.0521","0.0369","","","0.062","0.066","","","","","","1.058","","","","has coordinates,has disorder","219403","2020-10-21","18:00:00",""
"7124339","17.0723","0.0017","25.671","0.003","17.2881","0.0018","90","","92.9","0.004","90","","7567","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{Bis([3,5-dimethyl-2-(3-{[3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-1-yl]boranyl}imidazol-2-ylidene-1-yl)phenyl]methyl)-tantalum(III)}-bis(μ-hydrido)]-[bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)]-bis(μ-hydrido)","","- C78 H100 B3 N12 Ta3 -","- C78 H100 B3 N12 Ta3 -","- C312 H400 B12 N48 Ta12 -","4","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.7288","synchrotron","","0.047","0.0343","","","0.0834","0.0891","","","","","","1.042","","","","has coordinates","219403","2020-10-21","18:00:00",""
"7124340","12.8612","0.0003","12.8924","0.0003","16.4689","0.0004","86.292","0.002","83.751","0.002","66.08","0.002","2480.73","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[(bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)]-bis(μ-hydrido)-( μ-η4:η4-benzene)","","- C54 H64 B2 N8 Ta2 -","- C54 H64 B2 N8 Ta2 -","- C108 H128 B4 N16 Ta4 -","2","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.71073","MoKα","","0.0372","0.0319","","","0.0784","0.0802","","","","","","1.095","","","","has coordinates","219403","2020-10-21","18:00:00",""
"7124341","10.4157","0.0003","11.4099","0.0003","12.0668","0.0002","93.644","0.002","98.974","0.002","94.335","0.002","1408.3","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-chloridio-trimethyl-tantalum(V)","","- C27 H37 B Cl N4 Ta -","- C27 H37 B Cl N4 Ta -","- C54 H74 B2 Cl2 N8 Ta2 -","2","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.71073","MoKα","","0.0209","0.0191","","","0.0455","0.046","","","","","","1.066","","","","has coordinates","219403","2020-10-21","18:00:00",""
"7124342","15.5435","0.0007","15.7355","0.0005","22.4546","0.0008","98.365","0.003","100.634","0.004","113.523","0.004","4800.6","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H76 F6 Fe O13 P4 S2 -","- C93 H76 F6 Fe O13 P4 S2 -","- C186 H152 F12 Fe2 O26 P8 S4 -","2","1","","Horibe, Takahiro; Nakagawa, Keita; Hazeyama, Takashi; Takeda, Kazuki; Ishihara, Kazuaki","Enantioselective oxidative coupling reaction of 2-naphthol derivatives catalyzed by chiral diphosphine oxide‒iron(II) complexes","Chemical Communications","2019","","","","","10.1039/C9CC07834G","","x-ray","0.71073","MoKα","","0.1833","0.1094","","","0.3067","0.3485","","","","","","1.056","","","","has coordinates","219404","2020-10-21","18:00:00",""
"7124343","14.7161","0.0006","14.8437","0.0007","20.7334","0.0007","94.995","0.003","98.196","0.003","116.057","0.004","3969.7","0.3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C91 H67 F6 Fe O11 P4 S2 -","- C91 H67 F6 Fe O11 P4 S2 -","- C182 H134 F12 Fe2 O22 P8 S4 -","2","1","","Horibe, Takahiro; Nakagawa, Keita; Hazeyama, Takashi; Takeda, Kazuki; Ishihara, Kazuaki","Enantioselective oxidative coupling reaction of 2-naphthol derivatives catalyzed by chiral diphosphine oxide‒iron(II) complexes","Chemical Communications","2019","","","","","10.1039/C9CC07834G","","x-ray","0.71073","MoKα","","0.1633","0.0765","","","0.1907","0.2349","","","","","","0.996","","","","has coordinates","219404","2020-10-21","18:00:00",""
"7124344","8.0211","0.0004","8.0211","0.0004","6.2888","0.0008","90","","90","","90","","404.61","0.06","296","2","296.15","","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- Ba0.81 Ga2 K0.38 Se4 -","- Ba0.806 Ga2 K0.38 Se4 -","- Ba1.612 Ga4 K0.76 Se8 -","2","0.125","","Li, Ya-Nan; Chi, Yang; Sun, Zong-Dong; Xue, Huaiguo; Suen, Nian-Tzu; Guo, Sheng-Ping","Partial substitution induced centrosymmetric to noncentrosymmetric structure transformation and promising second-order nonlinear optical properties of (K0.38Ba0.81)Ga2Se4","Chemical Communications","2019","","","","","10.1039/C9CC07112A","","","0.71073","MoKα","","0.038","0.0379","","","0.0943","0.0944","","","","","","1.188","","","","has coordinates","219428","2020-10-21","18:00:00",""
"7124345","10.0141","0.0005","16.8417","0.0006","18.3913","0.0008","88.276","0.003","83.244","0.004","77.357","0.004","3005.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N2 O Si -","- C38 H36 N2 O Si -","- C152 H144 N8 O4 Si4 -","4","2","","Liu, Chengjun; Sun, Zenghui; Xie, Fukai; Liang, Guoduan; Yang, Lu; Li, Yaqiao; Cheng, Mao-sheng; Lin, Bin; Liu, Yongxiang","Gold(I)-Catalyzed Pathway-Switchable Tandem Cycloisomerizations to Indolizino[8,7-b]indole and Indolo[2,3-a]quinolizine Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC05667J","","x-ray","1.54184","CuKα","","0.0785","0.0635","","","0.1769","0.1928","","","","","","1.062","","","","has coordinates","219429","2020-10-21","18:00:00",""
"7124346","17.426","0.002","7.9081","0.0007","14.0205","0.0016","90","","106.829","0.013","90","","1849.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Liu, Chengjun; Sun, Zenghui; Xie, Fukai; Liang, Guoduan; Yang, Lu; Li, Yaqiao; Cheng, Mao-sheng; Lin, Bin; Liu, Yongxiang","Gold(I)-Catalyzed Pathway-Switchable Tandem Cycloisomerizations to Indolizino[8,7-b]indole and Indolo[2,3-a]quinolizine Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC05667J","","x-ray","0.71073","MoKα","","0.0954","0.0835","","","0.2124","0.2233","","","","","","1.057","","","","has coordinates","219429","2020-10-21","18:00:00",""
"7124347","8.7439","0.0001","12.3456","0.0002","18.3547","0.0003","90","","90","","90","","1981.37","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O6 -","- C20 H19 Br N2 O6 -","- C80 H76 Br4 N8 O24 -","4","1","","Huang, Ke-Xin; Xie, Ming-Sheng; Wang, Dong-Chao; Sang, Ji-Wei; Qu, Gui-Rong; Guo, Hai-Ming","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of α-N-Heterocyclic Acrylates with Vinyl Epoxides for Construction of Isonucleoside Analogs","Chemical Communications","2019","","","","","10.1039/C9CC07571B","","x-ray","1.54184","CuKα","","0.0262","0.0253","","","0.065","0.0657","","","","","","1.046","","","","has coordinates","219430","2020-10-21","18:00:00",""
"7124348","11.5414","0.0002","7.3357","0.0001","19.5853","0.0003","90","","100.033","0.002","90","","1632.82","0.04","100","0.1","100","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C15 H18 Cl N5 O3 -","- C15 H18 Cl N5 O3 -","- C60 H72 Cl4 N20 O12 -","4","1","","Huang, Ke-Xin; Xie, Ming-Sheng; Wang, Dong-Chao; Sang, Ji-Wei; Qu, Gui-Rong; Guo, Hai-Ming","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of α-N-Heterocyclic Acrylates with Vinyl Epoxides for Construction of Isonucleoside Analogs","Chemical Communications","2019","","","","","10.1039/C9CC07571B","","x-ray","1.54184","CuKα","","0.0264","0.0263","","","0.0696","0.0696","","","","","","1.045","","","","has coordinates","219430","2020-10-21","18:00:00",""
"7124349","8.8937","0.0004","10.7491","0.0004","12.9531","0.0005","114.219","0.004","99.926","0.003","98.501","0.003","1078.99","0.09","282","3","282","3","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 N O3 P Pd -","- C24 H22 N O3 P Pd -","- C48 H44 N2 O6 P2 Pd2 -","2","1","","Chen, Lijin; Zhou, Zhenfei; Zhang, Saifei; Li, Xiaoqian; Ma, Xuebing; Dong, Jiaxing","Palladium(II)-catalyzed Oxidative C(sp3)‒P Bond Formation via C(sp3)‒H Bond Activation","Chemical Communications","2019","","","","","10.1039/C9CC07637A","","x-ray","0.71073","MoKα","","0.0503","0.0447","","","0.1146","0.1203","","","","","","1.052","","","","has coordinates","219438","2020-10-21","18:00:00",""
"7124350","14.7369","0.0006","31.5086","0.0013","5.9773","0.0002","90","","90","","90","","2775.49","0.19","170","2","170","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H26 Ag F6 N6 Sb -","- C26 H26 Ag F6 N6 Sb -","- C104 H104 Ag4 F24 N24 Sb4 -","4","1","","Gao, Xiao-Tong; Xie, Shi-Liang; Zhou, Feng; Wu, Hai-Hong; Zhou, Jian","Multifunctional 1,3-diphenylguanidine for carboxylative cyclization of homopropargyl amines with CO2 under ambient temperature and pressure","Chemical Communications","2019","","","","","10.1039/C9CC07671A","","","1.34139","GaKα","","0.1557","0.0639","","","0.1336","0.1822","","","","","","1.001","","","","has coordinates","219439","2020-10-21","18:00:00",""
"7124351","7.8681","0.0004","15.5552","0.0007","13.3803","0.0007","90","","90.782","0.002","90","","1637.46","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B8 I -","- C9 H23 B8 I -","- C36 H92 B32 I4 -","4","1","","El Anwar, Suzan; Assaf, Khaleel I.; Begaj, Barbara; Samsonov, Maksim A.; Ruzickova, Zdenka; Holub, Josef; Bavol, Dmytro; Nau, Werner M.; Gabel, Detlef; Gruner, Bohumir","Versatile, one-pot introduction of nonahalogenated 2-ammonio-decaborate ions as boron cluster scaffolds into organic molecules; host-guest complexation with γ-cyclodextrin","Chemical Communications","2019","","","","","10.1039/C9CC07678F","","","0.71073","MoKα","","0.0522","0.0463","","","0.1417","0.1475","","","","","","1.054","","","","has coordinates,has disorder","219440","2020-10-21","18:00:00",""
"7124352","5.85118","0.00012","10.3913","0.00017","28.5036","0.0005","90","","94.0443","0.0018","90","","1728.74","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Zhang, Kuan; Han, Hua-Bin; Wang, Lele; Zhang, Ziying; Wang, Qi-Lin; Zhang, Wenjing; Bu, Zhanwei","An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC07114H","","x-ray","1.54184","CuKα","","0.0516","0.0432","","","0.1137","0.1221","","","","","","1.031","","","","has coordinates","219441","2020-10-21","18:00:00",""
"7124353","16.5851","0.0008","10.5603","0.0005","9.9923","0.0004","90","","91.303","0.004","90","","1749.64","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Zhang, Kuan; Han, Hua-Bin; Wang, Lele; Zhang, Ziying; Wang, Qi-Lin; Zhang, Wenjing; Bu, Zhanwei","An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC07114H","","x-ray","1.54184","CuKα","","0.0599","0.0463","","","0.1201","0.1342","","","","","","1.041","","","","has coordinates","219441","2020-10-21","18:00:00",""
"7124354","18.878","0.003","10.2614","0.0012","10.1973","0.001","90","","97.147","0.004","90","","1960","0.4","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Zhang, Kuan; Han, Hua-Bin; Wang, Lele; Zhang, Ziying; Wang, Qi-Lin; Zhang, Wenjing; Bu, Zhanwei","An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC07114H","","","0.71073","MoKα","","0.1398","0.0635","","","0.1261","0.1635","","","","","","1.046","","","","has coordinates","219441","2020-10-21","18:00:00",""
"7124355","11.0904","0.0007","18.5155","0.0015","19.5419","0.0016","90","","90","","90","","4012.8","0.5","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C192 H160 Cl8 N8 O16 -","8","1","","Zhang, Kuan; Han, Hua-Bin; Wang, Lele; Zhang, Ziying; Wang, Qi-Lin; Zhang, Wenjing; Bu, Zhanwei","An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC07114H","","","0.71073","MoKα","","0.1024","0.0503","","","0.1493","0.1869","","","","","","1.061","","","","has coordinates","219441","2020-10-21","18:00:00",""
"7124356","11.9272","0.0007","15.6713","0.0009","18.1611","0.0011","108.369","0.002","95.406","0.002","104.122","0.002","3069.8","0.3","150","2","150.02","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H70 N6 O12 -","- C64 H70 N6 O12 -","- C128 H140 N12 O24 -","2","1","","Zhang, Kuan; Han, Hua-Bin; Wang, Lele; Zhang, Ziying; Wang, Qi-Lin; Zhang, Wenjing; Bu, Zhanwei","An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC07114H","","","0.71073","MoKα","","0.1863","0.0877","","","0.2123","0.2763","","","","","","1.016","","","","has coordinates,has disorder","219441","2020-10-21","18:00:00",""
"7124357","6.80413","0.00003","12.83725","0.00007","22.67679","0.00012","90","","90","","90","","1980.73","0.017","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","1","","Mondal, Mukulesh; Panda, Manashi; Davis, Nicholas; McKee, Vickie; Kerrigan, Nessan Joseph","Asymmetric Synthesis of Cyclopentanones through Dual Lewis Acid-Catalysed [3 + 2]-Cycloaddition of Donor-Acceptor Cyclopropanes with Ketenes","Chemical Communications","2019","","","","","10.1039/C9CC07477E","","x-ray","1.54184","CuKα","","0.0253","0.0246","","","0.0641","0.0648","","","","","","1.044","","","","has coordinates","219442","2020-10-21","18:00:00",""
"7124358","6.80314","0.00004","12.83574","0.00007","22.67729","0.00012","90","","90","","90","","1980.26","0.019","100","0.3","100","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","1","","Mondal, Mukulesh; Panda, Manashi; Davis, Nicholas; McKee, Vickie; Kerrigan, Nessan Joseph","Asymmetric Synthesis of Cyclopentanones through Dual Lewis Acid-Catalysed [3 + 2]-Cycloaddition of Donor-Acceptor Cyclopropanes with Ketenes","Chemical Communications","2019","","","","","10.1039/C9CC07477E","","x-ray","1.54184","CuKα","","0.0251","0.0245","","","0.0636","0.064","","","","","","1.029","","","","has coordinates","219442","2020-10-21","18:00:00",""
"7124359","20.7784","0.0004","17.8911","0.0004","17.4121","0.0003","90","","105.487","0.001","90","","6237.9","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","[70]fullerene chloride VCl4 solvate","","- C70 Cl29.06 V0.71 -","- C70 Cl29.0644 V0.7149 -","- C280 Cl116.258 V2.8596 -","4","0.5","","Brotsman, Victor A.; Kemnitz, Erhard; Troyanov, Sergey I.","Fused-pentagon C70Cl26 obtained via chlorination-promoted Stone‒Wales cage transformations of C70","Chemical Communications","2019","","","","","10.1039/C9CC07464C","","","0.71073","MoKα","","0.0288","0.0266","","","0.067","0.0682","","","","","","1.06","","","","has coordinates","219443","2020-10-21","18:00:00",""
"7124360","12.878","0.001","15.157","0.0008","18.581","0.001","91.294","0.01","99.799","0.008","102.931","0.008","3476.4","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","[70]fullerene chloride toluene solvate","","- C81.25 H12.87 Cl26 -","- C81.308 H6.4 Cl25.9997 -","- C162.616 H12.8 Cl51.9994 -","2","1","","Brotsman, Victor A.; Kemnitz, Erhard; Troyanov, Sergey I.","Fused-pentagon C70Cl26 obtained via chlorination-promoted Stone‒Wales cage transformations of C70","Chemical Communications","2019","","","","","10.1039/C9CC07464C","","","0.895","synchrotron","","0.2057","0.1789","","","0.3823","0.3907","","","","","","1.081","","","","has coordinates,has disorder","219443","2020-10-21","18:00:00",""
"7124361","13.2571","0.0009","17.5409","0.0008","15.084","0.0007","90","","101.831","0.004","90","","3433.1","0.3","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","[70]fullerene chloride toluene solvate","","- C86.44 H18.78 Cl26.3 -","- C86.4346 H6.7824 Cl26.3044 -","- C172.869 H13.5648 Cl52.6088 -","2","0.5","","Brotsman, Victor A.; Kemnitz, Erhard; Troyanov, Sergey I.","Fused-pentagon C70Cl26 obtained via chlorination-promoted Stone‒Wales cage transformations of C70","Chemical Communications","2019","","","","","10.1039/C9CC07464C","","","0.895","synchrotron","","0.0771","0.0685","","","0.18","0.1859","","","","","","1.009","","","","has coordinates","219443","2020-10-21","18:00:00",""
"7124362","9.9541","0.0002","15.0085","0.0003","16.4447","0.0003","94.735","0.001","96.226","0.001","103.502","0.002","2359.95","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Ca2(L1)2(DMF)2(H2O)]n","","","- C52 H46 Ca2 N4 O11 -","- C52 H42.724 Ca2 N4 O11 -","- C104 H85.448 Ca4 N8 O22 -","2","1","","Lu, Jian; Wu, Hui-Fang; Wang, Wen-Fei; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Calcium-based efficient cathode-ray scintillating metal-organic frameworks constructed from π-conjugated luminescent motifs","Chemical Communications","2019","","","","","10.1039/C9CC06760D","","","0.71073","MoKα","","0.0582","0.0484","","","0.1197","0.1249","","","","","","1.061","","","","has coordinates,has disorder","219454","2020-10-21","18:00:00",""
"7124363","9.9576","0.0003","13.2038","0.0003","37.1629","0.0013","90","","92.879","0.003","90","","4879.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ca2(L2)2(DMF)2]n,0.5nH2O","","","- C56 H45 Ca2 N4 O10.5 -","- C56 H45 Ca2 N4 O10.5 -","- C224 H180 Ca8 N16 O42 -","4","1","","Lu, Jian; Wu, Hui-Fang; Wang, Wen-Fei; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Calcium-based efficient cathode-ray scintillating metal-organic frameworks constructed from π-conjugated luminescent motifs","Chemical Communications","2019","","","","","10.1039/C9CC06760D","","","0.71073","MoKα","","0.0901","0.0589","","","0.1278","0.144","","","","","","1.045","","","","has coordinates,has disorder","219454","2020-10-21","18:00:00",""
"7124364","12.326","0.003","12.494","0.003","15.298","0.003","68.11","0.03","84.51","0.03","62.63","0.03","1933.1","1.1","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 B F2 N2 -","- C24 H19 B F2 N2 -","- C96 H76 B4 F8 N8 -","4","2","","Teng, Kun-Xu; Niu, Li-Ya; Li, Jie; Jia, Lu; Yang, Qing-Zheng","An Unexpected Coupling-Reduction Tandem Reaction for Synthesis of Alkenyl-Substituted BODIPYs","Chemical Communications","2019","","","","","10.1039/C9CC07730H","","","0.71073","MoKα","","0.1219","0.0904","","","0.1504","0.1651","","","","","","1.171","","","","has coordinates","219455","2020-10-21","18:00:00",""
"7124365","8.105","0.0002","19.2881","0.0006","14.1234","0.0004","90","","92.977","0.003","90","","2204.93","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 K O6 -","- C21 H31 K O6 -","- C84 H124 K4 O24 -","4","1","","Mandal, Swadhin K.; Ahmed, Jasimuddin; Swain, Asim Kumar; Das, Arpan; Govindarajan, R.; Bhunia, Mrinal","A K-Arylacetylide Complex for Catalytic Terminal Alkyne Functionalization using KOtBu as a Precatalyst","Chemical Communications","2019","","","","","10.1039/C9CC07833A","","x-ray","1.54184","CuKα","","0.0394","0.0321","","","0.0815","0.0857","","","","","","1.028","","","","has coordinates","219456","2020-10-21","18:00:00",""
"7124366","21.5229","0.0014","8.6696","0.0003","21.8344","0.0019","90","","105.419","0.008","90","","3927.5","0.5","99.73","0.16","99.73","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H57 K2 N4 O12 -","- C32 H57 K2 N4 O12 -","- C128 H228 K8 N16 O48 -","4","1","","Mandal, Swadhin K.; Ahmed, Jasimuddin; Swain, Asim Kumar; Das, Arpan; Govindarajan, R.; Bhunia, Mrinal","A K-Arylacetylide Complex for Catalytic Terminal Alkyne Functionalization using KOtBu as a Precatalyst","Chemical Communications","2019","","","","","10.1039/C9CC07833A","","x-ray","1.54184","CuKα","","0.1169","0.0993","","","0.2896","0.3165","","","","","","1.267","","","","has coordinates","219456","2020-10-21","18:00:00",""
"7124367","21.762","0.004","6.5576","0.0013","27.605","0.006","90","","100","0.03","90","","3879.6","1.4","113","2","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","1","","Zhang, Tingting; Wen, Liu; Liu, Genjiang; Yan, Jiaying; Liu, Xiang; Zheng, Kaibo; Zhang, Nuonuo","A stable AIEgen cis-diarylethene-Based ‘ESIPT’ benchmark","Chemical Communications","2019","","","","","10.1039/C9CC07434A","","","0.71073","MoKα","","0.0728","0.0578","","","0.1331","0.1429","","","","","","1.098","","","","has coordinates","219457","2020-10-21","18:00:00",""
"7124368","9.681","0.0019","11.462","0.002","16.848","0.003","90","","98.17","0.03","90","","1850.5","0.6","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Zhang, Tingting; Wen, Liu; Liu, Genjiang; Yan, Jiaying; Liu, Xiang; Zheng, Kaibo; Zhang, Nuonuo","A stable AIEgen cis-diarylethene-Based ‘ESIPT’ benchmark","Chemical Communications","2019","","","","","10.1039/C9CC07434A","","","0.71073","MoKα","","0.0996","0.0493","","","0.0963","0.1181","","","","","","1.012","","","","has coordinates","219457","2020-10-21","18:00:00",""
"7124369","32.6797","0.0002","32.6797","0.0002","13.5625","0.0002","90","","90","","90","","14484.2","0.2","293","1","293","1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H29 N15.5 O10.5 Zn0.25 -","- C33 H29 N15.5 O10.5 Zn0.25 -","- C528 H464 N248 O168 Zn4 -","16","1","","Yang, Xue; Giorgi, Michel; Karoui, Hakim; Gigmes, Didier; Hornebecq, Virginie; Ouari, Olivier; Kermagoret, Anthony; Bardelang, David","A single-crystal-to-single-crystal transformation affording photochromic 3D MORF crystals","Chemical Communications","2019","","","","","10.1039/C9CC07121K","","x-ray","1.54184","CuKα","","0.0547","0.0507","","","0.1429","0.1476","","","","","","1.091","","","","has coordinates","219463","2020-10-21","18:00:00",""
"7124370","46.597","0.003","46.046","0.007","14.9947","0.0015","90","","90","","90","","32173","6","125","0.1","125","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C66 H75.2 N31 O29.6 Zn0.5 -","- C66 H75.2 N31 O29.6 Zn0.5 -","- C1056 H1203.2 N496 O473.6 Zn8 -","16","1","","Yang, Xue; Giorgi, Michel; Karoui, Hakim; Gigmes, Didier; Hornebecq, Virginie; Ouari, Olivier; Kermagoret, Anthony; Bardelang, David","A single-crystal-to-single-crystal transformation affording photochromic 3D MORF crystals","Chemical Communications","2019","","","","","10.1039/C9CC07121K","","x-ray","1.54184","CuKα","","0.1469","0.1272","","","0.3584","0.3893","","","","","","1.36","","","","has coordinates,has disorder","219463","2020-10-21","18:00:00",""
"7124371","10.4615","0.0001","10.5145","0.0001","23.7246","0.0003","90","","90","","90","","2609.65","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O9 -","- C28 H28 N2 O9 -","- C112 H112 N8 O36 -","4","1","","Chang, Shun-qin; Zuo, Xiong; Gong, Ying; He, Xue-Wen; Liu, Xiong-Li; Zhou, Ying","Stereocontrolled construction of six vicinal stereogenic centers on hexahydroxanthone framework through a formal [2+1+3] annulation","Chemical Communications","2019","","","","","10.1039/C9CC08101A","","x-ray","1.54184","CuKα","","0.0469","0.046","","","0.1226","0.1239","","","","","","1.033","","","","has coordinates","219464","2020-10-21","18:00:00",""
"7124372","8.4093","0.0001","9.0929","0.0001","13.3012","0.0002","90","","104.141","0.001","90","","986.26","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 Br2 N O -","- C9 H5 Br2 N O -","- C36 H20 Br8 N4 O4 -","4","1","","Li, Yiming; Mou, Tao; Lu, Linglin; Jiang, Xuefeng","Visible-Light-Promoted Oxidative Halogenation of Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC07655G","","x-ray","1.54184","CuKα","","0.0497","0.0487","","","0.1264","0.128","","","","","","1.066","","","","has coordinates","219465","2020-10-21","18:00:00",""
"7124373","11.936","0.003","10.888","0.002","22.186","0.005","90","","95.814","0.006","90","","2868.4","1.1","220","","220","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 F N O P Si -","- C27 H43 F N O P Si -","- C108 H172 F4 N4 O4 P4 Si4 -","4","1","","Wu, Wanqing; Fang, Songjia; Jiang, Guangbin; Li, Meng; Liu, Zhenying; Jiang, Huanfeng","Palladium-Catalyzed Regioselective C−H Alkynylation of Indoles with Haloalkynes: Access to Functionalized 7-Alkynylindoles","Chemical Communications","2019","","","","","10.1039/C9CC07263B","","","0.71073","MoKα","","0.1315","0.0633","","","0.1297","0.1558","","","","","","0.903","","","","has coordinates","219466","2020-10-21","18:00:00",""
"7124374","8.9101","0.0004","11.0141","0.0005","17.3483","0.0008","84.2353","0.0014","78.5292","0.0013","85.5819","0.0013","1657.22","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H94 N4 O5 -","- C82 H94 N4 O5 -","- C82 H94 N4 O5 -","1","0.5","","Soltani, Mohammad; Mash, Brandon L.; Henseler, Julian; Badri, Sharhzad; Zeller, Matthias; Salter, E. Alan; Wierzbicki, Andrzej; Stenson, Alexandra C.; Davis, James H.","Unorthodox crystalline drug salts via the reaction of amine-containing drugs with CO2","Chemical Communications","2019","","","","","10.1039/C9CC06429J","","","1.54178","CuKα","","0.0451","0.042","","","0.1114","0.1139","","","","","","1.104","","","","has coordinates,has disorder","219499","2020-10-21","18:00:00",""
"7124375","10.8194","0.0006","27.0609","0.0015","11.5232","0.0006","90","","111.902","0.0018","90","","3130.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 N2 O2 -","- C39 H42 N2 O2 -","- C156 H168 N8 O8 -","4","1","","Soltani, Mohammad; Mash, Brandon L.; Henseler, Julian; Badri, Sharhzad; Zeller, Matthias; Salter, E. Alan; Wierzbicki, Andrzej; Stenson, Alexandra C.; Davis, James H.","Unorthodox crystalline drug salts via the reaction of amine-containing drugs with CO2","Chemical Communications","2019","","","","","10.1039/C9CC06429J","","","0.71073","MoKα","","0.0603","0.0526","","","0.1269","0.1316","","","","","","1.094","","","","has coordinates","219499","2020-10-21","18:00:00",""
"7124376","8.9559","0.0003","33.9149","0.001","20.7715","0.0006","90","","97.3341","0.001","90","","6257.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 N4 O2 -","- C37 H44 N4 O2 -","- C296 H352 N32 O16 -","8","2","","Soltani, Mohammad; Mash, Brandon L.; Henseler, Julian; Badri, Sharhzad; Zeller, Matthias; Salter, E. Alan; Wierzbicki, Andrzej; Stenson, Alexandra C.; Davis, James H.","Unorthodox crystalline drug salts via the reaction of amine-containing drugs with CO2","Chemical Communications","2019","","","","","10.1039/C9CC06429J","","","1.54178","CuKα","","0.0439","0.0402","","","0.1067","0.1092","","","","","","1.047","","","","has coordinates","219499","2020-10-21","18:00:00",""
"7124377","11.1385","0.0007","11.1376","0.0006","14.7537","0.0009","90.66","0.002","90.947","0.002","90.281","0.002","1829.89","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","4","","Soltani, Mohammad; Mash, Brandon L.; Henseler, Julian; Badri, Sharhzad; Zeller, Matthias; Salter, E. Alan; Wierzbicki, Andrzej; Stenson, Alexandra C.; Davis, James H.","Unorthodox crystalline drug salts via the reaction of amine-containing drugs with CO2","Chemical Communications","2019","","","","","10.1039/C9CC06429J","","","0.71073","MoKα","","0.0675","0.0486","","","0.1273","0.1373","","","","","","1.037","","","","has coordinates","219499","2020-10-21","18:00:00",""
"7124378","9.7614","0.0001","13.3279","0.0002","22.9045","0.0003","97.113","0.001","100.509","0.001","97.927","0.001","2867.71","0.07","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72 N2 O3 Si6 -","- C60 H72 N2 O3 Si6 -","- C120 H144 N4 O6 Si12 -","2","1","","Ai, Liqing; Chen, Yi; He, Lijuan; Luo, Yongming; Li, Shuhong; Xu, Caihong","Synthesis of Structured Polysiloxazanes via Piers‒Rubinsztajn Reaction","Chemical Communications","2019","","","","","10.1039/C9CC07312D","","x-ray","1.54184","CuKα","","0.0409","0.0384","","","0.1015","0.1031","","","","","","1.052","","","","has coordinates,has disorder","219500","2020-10-21","18:00:00",""
"7124379","12.9345","0.0004","12.9345","0.0004","8.9057","0.0005","90","","90","","90","","1489.94","0.11","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C0.75 H4.5 Cu1.25 Ge N0.75 Se3 -","- C0.75 H4.75 Cu1.25 Ge N0.75 Se3 -","- C6 H38 Cu10 Ge8 N6 Se24 -","8","1","","Liu, Hua-Wei; Wang, Kai-Yao; Ding, Dong; Sun, Meng; Cheng, Lin; Wang, Cheng","Deep Eutectic Solvothermal Synthesis of an Open Framework Copper Selenidogermanate with pH-resistant Cs+ Ion Exchange Property","Chemical Communications","2019","","","","","10.1039/C9CC06906B","","","0.71073","MoKα","","0.0358","0.03","","","0.0707","0.0731","","","","","","1.013","","","","has coordinates","219501","2020-10-21","18:00:00",""
"7124380","12.9557","0.0003","12.9557","0.0003","8.728","0.0006","90","","90","","90","","1465","0.11","293","2","293","2","","","","","","","","8","P -4 21 m","P -4 2ab","113","","","","- C0.05 H0.8 Cs0.7 Cu1.25 Ge N0.05 O0.25 Se3 -","- Cs0.7 Cu1.25 Ge O0.25 Se3 -","- Cs5.6 Cu10 Ge8 O2 Se24 -","8","1","","Liu, Hua-Wei; Wang, Kai-Yao; Ding, Dong; Sun, Meng; Cheng, Lin; Wang, Cheng","Deep Eutectic Solvothermal Synthesis of an Open Framework Copper Selenidogermanate with pH-resistant Cs+ Ion Exchange Property","Chemical Communications","2019","","","","","10.1039/C9CC06906B","","","0.71073","MoKα","","0.0295","0.0273","","","0.0616","0.0622","","","","","","1.007","","","","has coordinates","219501","2020-10-21","18:00:00",""
"7124381","15.304","0.003","5.8888","0.0012","16.007","0.003","90","","106.59","0.03","90","","1382.5","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","","Wu, Lingang; Hao, Yanan; Liu, Yu-Xiu; Wang, Qingmin","Visible-Light-Induced Intramolecular sp3 C−H Oxidation of 2-Alkyl-Substituted Benzamides for Synthesis of Functionalized Iminoisobenzofurans","Chemical Communications","2019","","","","","10.1039/C9CC07791J","","","0.71073","MoKα","","0.0598","0.0434","","","0.0906","0.0978","","","","","","0.983","","","","has coordinates","219517","2020-10-21","18:00:00",""
"7124382","10.467","0.006","18.051","0.009","22.288","0.012","88.516","0.008","82.089","0.008","89.724","0.009","4170","4","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C184 H208 O48 -","8","4","","Otawa, Yuna; Mori, Keiji","Construction of Seven- and Eight-Membered Carbocycles by Lewis Acid Catalyzed C(sp3)‒H Bond Functionalization","Chemical Communications","2019","","","","","10.1039/C9CC08074K","","","0.71073","MoKα","","0.2368","0.1023","","","0.1712","0.2281","","","","","","1.01","","","","has coordinates","219518","2020-10-21","18:00:00",""
"7124383","14.1114","0.0019","14.1114","0.0019","31.276","0.004","90","","90","","120","","5393.6","1.2","123","2","123","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C24.33 H16.33 Co0.67 Ir0.67 N2 O5.33 P0.33 -","- C24.3333 H16.3336 Co0.666667 Ir0.666667 N2 O5.33337 P0.3333 -","- C146 H98.0016 Co4 Ir4 N12 O32.0002 P1.9998 -","6","0.5","","Liao, Chwen-Haw; Fan, Kun; Bao, Song-Song; Fan, Hao; Wang, Xizhang; Hu, Zheng; Kurmoo, Mohamedally; Zheng, Li-Min","From a layered iridium(III)-cobalt(II) organophosphonate to an efficient oxygen-evolution-reaction electrocatalyst","Chemical Communications","2019","","","","","10.1039/C9CC06164A","","","0.71073","MoKα","","0.0582","0.0474","","","0.1406","0.151","","","","","","1.004","","","","has coordinates","219519","2020-10-21","18:00:00",""
"7124384","17.0574","0.0003","10.5308","0.0003","31.2176","0.0008","90","","91.68","0.002","90","","5605.1","0.2","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45 H56 B2 Cl4 N12 O4 Pt Se2 W2 -","- C45 H56 B2 Cl4 N12 O4 Pt Se2 W2 -","- C180 H224 B8 Cl16 N48 O16 Pt4 Se8 W8 -","4","0.5","","Hill, Anthony; Watson, Lachlan J.; Frogley, Benjamin","Bridging selenocarbonyl ligands: An open and shut case.","Chemical Communications","2019","","","","","10.1039/C9CC07757J","","","1.54184","CuKα","","0.0647","0.0425","","","0.0856","0.0926","","","","","","1.007","","","","has coordinates","220333","2020-10-21","18:00:00",""
"7124385","12.4389","0.0003","13.8519","0.0004","14.2608","0.0003","90","","90.601","0.002","90","","2457.03","0.11","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 Cl4 N12 O4 Pt Se2 W2 -","- C38 H48 B2 Cl4 N12 O4 Pt Se2 W2 -","- C76 H96 B4 Cl8 N24 O8 Pt2 Se4 W4 -","2","0.5","","Hill, Anthony; Watson, Lachlan J.; Frogley, Benjamin","Bridging selenocarbonyl ligands: An open and shut case.","Chemical Communications","2019","","","","","10.1039/C9CC07757J","","","1.54184","CuKα","","0.0585","0.0434","","","0.1115","0.1229","","","","","","1.041","","","","has coordinates","220333","2020-10-21","18:00:00",""
"7124386","10.4524","0.0006","16.4733","0.001","16.6029","0.0012","90","","99.08","0.006","90","","2823","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 B2 N14 O4 Pt Se2 W2 -","- C46 H62 B2 N14 O4 Pt Se2 W2 -","- C92 H124 B4 N28 O8 Pt2 Se4 W4 -","2","0.5","","Hill, Anthony; Watson, Lachlan J.; Frogley, Benjamin","Bridging selenocarbonyl ligands: An open and shut case.","Chemical Communications","2019","","","","","10.1039/C9CC07757J","","","0.71073","MoKα","","0.0667","0.0386","","","0.0567","0.064","","","","","","0.966","","","","has coordinates","220333","2020-10-21","18:00:00",""
"7124387","14.1718","0.0003","15.5447","0.0004","15.4562","0.0004","90","","106.216","0.002","90","","3269.48","0.14","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C20 H26 Au B Cl4 N6 O2 Se W -","- C20 H26 Au B Cl4 N6 O2 Se W -","- C80 H104 Au4 B4 Cl16 N24 O8 Se4 W4 -","4","2","","Hill, Anthony; Watson, Lachlan J.; Frogley, Benjamin","Bridging selenocarbonyl ligands: An open and shut case.","Chemical Communications","2019","","","","","10.1039/C9CC07757J","","","1.54184","CuKα","","0.0496","0.0438","","","0.1157","0.1211","","","","","","1.02","","","","has coordinates","220333","2020-10-21","18:00:00",""
"7124388","20.1587","0.0009","19.5305","0.0006","19.4821","0.0008","90","","117.307","0.006","90","","6815.5","0.6","150","0.1","150","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Au2 B2 Cl10 N12 O4 Pt Se2 W2 -","- C48 H64 Au2 B2 Cl10 N12 O4 Pt Se2 W2 -","- C192 H256 Au8 B8 Cl40 N48 O16 Pt4 Se8 W8 -","4","1","","Hill, Anthony; Watson, Lachlan J.; Frogley, Benjamin","Bridging selenocarbonyl ligands: An open and shut case.","Chemical Communications","2019","","","","","10.1039/C9CC07757J","","","0.71073","MoKα","","0.052","0.0358","","","0.0628","0.0695","","","","","","1.015","","","","has coordinates","220333","2020-10-21","18:00:00",""
"7124389","17.2097","0.0008","10.5679","0.0003","32.232","0.002","90","","101.23","0.005","90","","5749.8","0.5","299.99","0.11","299.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(3,5 Me2TPM)(TPM)][Fe(azp)2]ClO4 2MeCN","","","- C54 H54 Cl Fe2 N18 O8 -","- C54 H54 Cl Fe2 N18 O8 -","- C216 H216 Cl4 Fe8 N72 O32 -","4","1","","Murray, Keith S.; Phonsri, Wasinee; Jameson, Guy N. L.; Lewis, Barnaby","Double Spin Crossovers: A New Double Salt Strategy to Improve Magnetic and Memory Properties","Chemical Communications","2019","","","","","10.1039/C9CC07416C","","x-ray","0.71073","MoKα","","0.1453","0.0593","","","0.1528","0.1878","","","","","","1.011","","","","has coordinates,has disorder","220334","2020-10-21","18:00:00",""
"7124390","17.2993","0.0008","10.5858","0.0004","32.3862","0.0014","90","","101.594","0.004","90","","5809.8","0.4","370","0.2","370","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Fe(3,5 Me2TPM)(TPM)][Fe(azp)2]ClO4 MeCN","","- C52 H48 Cl Fe2 N17 O8 -","- C52 H48 Cl Fe2 N17 O8 -","- C208 H192 Cl4 Fe8 N68 O32 -","4","1","","Murray, Keith S.; Phonsri, Wasinee; Jameson, Guy N. L.; Lewis, Barnaby","Double Spin Crossovers: A New Double Salt Strategy to Improve Magnetic and Memory Properties","Chemical Communications","2019","","","","","10.1039/C9CC07416C","","x-ray","1.54184","CuKα","","0.1064","0.0815","","","0.2436","0.2681","","","","","","1.038","","","","has coordinates,has disorder","220334","2020-10-21","18:00:00",""
"7124391","16.948","0.003","10.425","0.002","31.438","0.006","90","","100.41","0.03","90","","5463.1","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(3,5 Me2TPM)(TPM)][Fe(azp)2]ClO4 2MeCN","","","- C54 H54 Cl Fe2 N18 O8 -","- C54 H54 Cl Fe2 N18 O8 -","- C216 H216 Cl4 Fe8 N72 O32 -","4","1","","Murray, Keith S.; Phonsri, Wasinee; Jameson, Guy N. L.; Lewis, Barnaby","Double Spin Crossovers: A New Double Salt Strategy to Improve Magnetic and Memory Properties","Chemical Communications","2019","","","","","10.1039/C9CC07416C","","","0.71073","Synchrotron","","0.0487","0.0445","","","0.1186","0.1211","","","","","","1.054","","","","has coordinates,has disorder","220334","2020-10-21","18:00:00",""
"7124392","10.3195","0.0005","12.2231","0.0005","16.8849","0.0007","90","","98.881","0.004","90","","2104.26","0.16","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C96 H100 N12 O16 -","4","1","","Huang, You; Feng, Jiaxu","Phosphine-Catalyzed (3+2)/(2+3) Sequential Annulation by Triple Nucleophilic Addition Reaction of γ-Vinyl Allenoates","Chemical Communications","2019","","","","","10.1039/C9CC07346A","","x-ray","0.71073","MoKα","","0.0579","0.0437","","","0.0988","0.1076","","","","","","1.042","","","","has coordinates","220335","2020-10-21","18:00:00",""
"7124393","10.74","0.002","22.857","0.005","10.909","0.002","90","","104.54","0.03","90","","2592.2","1","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl3 N3 O4 -","- C25 H26 Cl3 N3 O4 -","- C100 H104 Cl12 N12 O16 -","4","2","","Huang, You; Feng, Jiaxu","Phosphine-Catalyzed (3+2)/(2+3) Sequential Annulation by Triple Nucleophilic Addition Reaction of γ-Vinyl Allenoates","Chemical Communications","2019","","","","","10.1039/C9CC07346A","","","0.71073","MoKα","","0.0997","0.0713","","","0.1584","0.18","","","","","","1.044","","","","has coordinates","220335","2020-10-21","18:00:00",""
"7124394","11.8382","0.0009","15.3232","0.001","11.6575","0.0009","90","","98.841","0.007","90","","2089.5","0.3","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C96 H100 N12 O16 -","4","1","","Huang, You; Feng, Jiaxu","Phosphine-Catalyzed (3+2)/(2+3) Sequential Annulation by Triple Nucleophilic Addition Reaction of γ-Vinyl Allenoates","Chemical Communications","2019","","","","","10.1039/C9CC07346A","","x-ray","0.71073","MoKα","","0.0788","0.0535","","","0.1313","0.1564","","","","","","1.083","","","","has coordinates","220335","2020-10-21","18:00:00",""
"7124395","12.471","0.008","13.794","0.009","13.094","0.008","90","","116.562","0.016","90","","2015","2","200","2","200.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H52 Cu N3 S2 -","- C42 H52 Cu N3 S2 -","- C84 H104 Cu2 N6 S4 -","2","1","","Elsby, Matthew R.; Baker, R. Tom","Cu(i)-SNS complexes for outer-sphere hydroboration and hydrosilylation of carbonyls.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc07266g","","","0.71073","MoKα","","0.0345","0.0299","","","0.0706","0.073","","","","","","1.049","","","","has coordinates,has disorder","220336","2020-10-21","18:00:00",""
"7124396","12.955","0.003","15.654","0.003","19.26","0.004","90","","95.175","0.013","90","","3890","1.4","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C41H48CuN3S2","","- C41 H48 Cu N3 S2 -","- C41 H48 Cu N3 S2 -","- C164 H192 Cu4 N12 S8 -","4","1","","Elsby, Matthew R.; Baker, R. Tom","Cu(i)-SNS complexes for outer-sphere hydroboration and hydrosilylation of carbonyls.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc07266g","","","0.71073","MoKα","","0.0757","0.0429","","","0.1005","0.1161","","","","","","1.011","","","","has coordinates","220336","2020-10-21","18:00:00",""
"7124397","5.7226","0.0001","16.3731","0.0003","32.1528","0.0007","90","","90","","90","","3012.61","0.1","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Topić, Filip; Lisac, Katarina; Arhangelskis, Mihails; Rissanen, Kari; Cinčić, Dominik; Friščić, Tomislav","Cocrystal trimorphism as a consequence of orthogonality of halogen- and hydrogen-bonds synthons","Chemical Communications","2019","","","","","10.1039/C9CC06735C","","","0.71073","MoKα","","0.0448","0.0419","","","0.1058","0.1069","","","","","","1.306","","","","has coordinates","220516","2020-10-21","18:00:00",""
"7124398","6.0447","0.0004","11.5656","0.0006","12.5757","0.0007","113.43","0.005","100.733","0.005","97.582","0.005","771.6","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","1","0.5","","Topić, Filip; Lisac, Katarina; Arhangelskis, Mihails; Rissanen, Kari; Cinčić, Dominik; Friščić, Tomislav","Cocrystal trimorphism as a consequence of orthogonality of halogen- and hydrogen-bonds synthons","Chemical Communications","2019","","","","","10.1039/C9CC06735C","","x-ray","0.71073","MoKα","","0.0327","0.0295","","","0.0705","0.0738","","","","","","1.058","","","","has coordinates","220516","2020-10-21","18:00:00",""
"7124399","8.6356","0.0004","24.2366","0.0012","16.6059","0.0009","90","","101.535","0.005","90","","3405.4","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 O P -","- C13 H13 O P -","- C156 H156 O12 P12 -","12","3","","Topić, Filip; Lisac, Katarina; Arhangelskis, Mihails; Rissanen, Kari; Cinčić, Dominik; Friščić, Tomislav","Cocrystal trimorphism as a consequence of orthogonality of halogen- and hydrogen-bonds synthons","Chemical Communications","2019","","","","","10.1039/C9CC06735C","","","0.71073","MoKα","","0.106","0.0587","","","0.1236","0.148","","","","","","1.025","","","","has coordinates","220516","2020-10-21","18:00:00",""
"7124400","11.5273","0.0004","5.88431","0.00018","23.589","0.0007","90","","90.628","0.003","90","","1599.95","0.09","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C64 H52 F8 I4 O4 P4 -","2","0.5","","Topić, Filip; Lisac, Katarina; Arhangelskis, Mihails; Rissanen, Kari; Cinčić, Dominik; Friščić, Tomislav","Cocrystal trimorphism as a consequence of orthogonality of halogen- and hydrogen-bonds synthons","Chemical Communications","2019","","","","","10.1039/C9CC06735C","","x-ray","0.71073","MoKα","","0.0273","0.0227","","","0.0454","0.0479","","","","","","1.067","","","","has coordinates","220516","2020-10-21","18:00:00",""
"7124401","6.0473","0.0001","12.0007","0.0002","12.5641","0.0001","116.036","0.0006","100.528","0.0007","94.7799","0.0007","791.56","0.02","253","0.1","253","0.1","","","","","","","isobutanol","6","P -1","-P 1","2","","","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","1","0.5","","Topić, Filip; Lisac, Katarina; Arhangelskis, Mihails; Rissanen, Kari; Cinčić, Dominik; Friščić, Tomislav","Cocrystal trimorphism as a consequence of orthogonality of halogen- and hydrogen-bonds synthons","Chemical Communications","2019","","","","","10.1039/C9CC06735C","","","0.71073","MoKα","","0.0222","0.0202","","","0.0474","0.0482","","","","","","1.056","","","","has coordinates","220516","2020-10-21","18:00:00",""
"7124402","13.8396","0.0014","15.5527","0.0016","5.7751","0.0006","90","","90","","90","","1243.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C56 H52 N8 O8 Zn2 -","2","0.5","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.0281","0.0276","","","0.0826","0.0828","","","","","","1.208","","","","has coordinates","220517","2020-10-21","18:00:00",""
"7124403","12.246","0.003","14.757","0.003","17.563","0.003","90","","90","","90","","3173.9","1.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N6 O12 Zn -","- C28 H31.371 N6 O12 Zn -","- C112 H125.484 N24 O48 Zn4 -","4","1","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.09","0.0567","","","0.1332","0.1513","","","","","","1.027","","","","has coordinates,has disorder","220517","2020-10-21","18:00:00",""
"7124404","7.5321","0.0012","12.861","0.002","14.071","0.002","90","","90","","90","","1363.1","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl N2 O2 Zn -","- C14 H13 Cl N2 O2 Zn -","- C56 H52 Cl4 N8 O8 Zn4 -","4","1","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.0353","0.0267","","","0.0569","0.0592","","","","","","1.039","","","","has coordinates","220517","2020-10-21","18:00:00",""
"7124405","7.86","0.003","13.271","0.005","13.788","0.005","90","","90","","90","","1438.2","0.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N5 O2 Zn -","- C14 H13 N5 O2 Zn -","- C56 H52 N20 O8 Zn4 -","4","1","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.0492","0.0363","","","0.0761","0.0822","","","","","","1.076","","","","has coordinates","220517","2020-10-21","18:00:00",""
"7124406","12.2448","0.0002","18.3117","0.0002","17.9788","0.0003","90","","104.121","0.0017","90","","3909.45","0.1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Cl2 N2 P Ru -","- C40 H59 Cl2 N2 P Ru -","- C160 H236 Cl8 N8 P4 Ru4 -","4","1","","YOSHIOKA, Shohei; Takehara, Tsunayoshi; MATSUZAKI, Tsuyoshi; Suzuki, Takeyuki; Tsujino, Hirofumi; Uno, Tadayuki; Tsutumi, Y.; Murai, Kenichi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Direct Synthesis of Dialkylaryl-vinylsilane Derivatives: Metathesis of Dialkylaryl-iso-propenylsilane and Its Application to Tetracyclic Silacycle Dye Synthesis","Chemical Communications","2019","","","","","10.1039/C9CC06777A","","","0.71073","MoKα","","0.0457","0.0346","","","0.0798","0.0847","","","","","","1.058","","","","has coordinates","220574","2020-10-21","18:00:00",""
"7124407","10.0281","0.0001","18.2669","0.0002","20.2604","0.0002","90","","98.473","0.001","90","","3670.84","0.07","253","0.1","253","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 N4 O6 -","- C45 H42 N4 O6 -","- C180 H168 N16 O24 -","4","1","","Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas","Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand","Chemical Communications","2019","","","","","10.1039/C9CC07244F","","x-ray","1.54184","CuKα","","0.053","0.0468","","","0.1246","0.1302","","","","","","1.041","","","","has coordinates,has disorder","220575","2020-10-21","18:00:00",""
"7124408","11.7718","0.0007","15.1157","0.0008","21.9868","0.0014","90","","90","","90","","3912.3","0.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H42 Cl Cu N4 O6 -","- C45 H42 Cl Cu N4 O6 -","- C180 H168 Cl4 Cu4 N16 O24 -","4","1","","Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas","Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand","Chemical Communications","2019","","","","","10.1039/C9CC07244F","","x-ray","0.71073","MoKα","","0.1155","0.0645","","","0.1423","0.1658","","","","","","1.076","","","","has coordinates","220575","2020-10-21","18:00:00",""
"7124409","20.7019","0.0002","10.8404","0.0001","17.9416","0.0002","90","","101.37","0.001","90","","3947.38","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Cl N4 O7 -","- C46 H47 Cl N4 O7 -","- C184 H188 Cl4 N16 O28 -","4","1","","Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas","Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand","Chemical Communications","2019","","","","","10.1039/C9CC07244F","","x-ray","1.54184","CuKα","","0.0519","0.047","","","0.127","0.1332","","","","","","1.017","","","","has coordinates","220575","2020-10-21","18:00:00",""
"7124410","5.4653","0.0009","14.009","0.003","15.061","0.003","115.001","0.005","89.766","0.006","100.874","0.005","1022.6","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H40 N2 -","- C55 H40 N2 -","- C55 H40 N2 -","1","0.5","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","0.71073","MoKα","","0.0875","0.0574","","","0.1284","0.1493","","","","","","1.106","","","","has coordinates,has disorder","220576","2020-10-21","18:00:00",""
"7124411","32.439","0.007","5.764","0.0012","22.026","0.005","90","","111.054","0.005","90","","3843.5","1.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 N2 O -","- C52 H40 N2 O -","- C208 H160 N8 O4 -","4","0.5","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","0.71073","MoKα","","0.0682","0.0515","","","0.1444","0.1589","","","","","","1.059","","","","has coordinates,has disorder","220576","2020-10-21","18:00:00",""
"7124412","5.4413","0.0001","14.0103","0.0003","15.0265","0.0003","114.802","0.001","90.263","0.002","101.034","0.002","1016.01","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H37 Cl N2 -","- C54 H37 Cl N2 -","- C54 H37 Cl N2 -","1","0.5","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","1.54178","CuKα","","0.1143","0.0626","","","0.1607","0.1949","","","","","","1.049","","","","has coordinates,has disorder","220576","2020-10-21","18:00:00",""
"7124413","5.5357","0.0005","13.9222","0.0014","15.0956","0.0015","115.448","0.002","90.572","0.002","97.252","0.002","1039.44","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H21 N -","- C28 H21 N -","- C56 H42 N2 -","2","1","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","0.71073","MoKα","","0.128","0.0551","","","0.1104","0.1437","","","","","","1.01","","","","has coordinates","220576","2020-10-21","18:00:00",""
"7124414","34.4065","0.0011","5.4036","0.0002","19.9747","0.0006","90","","113.01","0.001","90","","3418.2","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N2 -","- C48 H32 N2 -","- C192 H128 N8 -","4","0.5","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","1.54175","CuKα","","0.044","0.0412","","","0.1162","0.1202","","","","","","1.053","","","","has coordinates","220576","2020-10-21","18:00:00",""
"7124415","9.6185","0.0005","11.6931","0.0007","30.7216","0.0016","90","","90","","90","","3455.3","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 N2 -","- C48 H32 N2 -","- C192 H128 N8 -","4","1","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","0.71073","MoKα","","0.2871","0.0849","","","0.1255","0.1769","","","","","","1","","","","has coordinates,has disorder","220576","2020-10-21","18:00:00",""
"7124416","33.601","0.002","5.7693","0.0003","20.7237","0.0015","90","","109.43","0.005","90","","3788.6","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H33 Cl3 N2 -","- C49 H33 Cl3 N2 -","- C196 H132 Cl12 N8 -","4","0.5","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","0.71073","MoKα","","0.2328","0.0839","","","0.1261","0.1725","","","","","","0.981","","","","has coordinates,has disorder","220576","2020-10-21","18:00:00",""
"7124417","16.0599","0.0007","10.4661","0.0003","16.9384","0.0008","90","","109.324","0.003","90","","2686.7","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl Fe N2 O6 -","- C28 H28 Cl Fe N2 O6 -","- C112 H112 Cl4 Fe4 N8 O24 -","4","0.5","","Rajnák, Cyril; Titis, Jan; Moncol, Jan; Renz, Franz; Boca, Roman","Slow Magnetic Relaxation in a High-spin Pentacoordinate Fe(III) Complex","Chemical Communications","2019","","","","","10.1039/C9CC06610A","","","1.54186","CuKα","","0.0368","0.0308","","","0.071","0.0744","","","","","","1.062","","","","has coordinates","220616","2020-10-21","18:00:00",""
"7124418","19.9608","0.0011","23.1","0.0012","22.9095","0.0013","90","","101.775","0.0018","90","","10341.2","1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105.5 H118 Cl3 Eu N9 O15 -","- C105.5 H118 Cl3 Eu N9 O15 -","- C422 H472 Cl12 Eu4 N36 O60 -","4","2","","starck, matthieu; MacKenzie, Lewis Edward; Batsanov, Andrei Stepanovich; Parker, David; Pal, Robert","Excitation modulation of Eu:BPEPC based complexes as low-energy reference standards for circularly polarised luminescence (CPL).","Chemical Communications","2019","","","","","10.1039/C9CC07290J","","x-ray","0.71073","MoKα","","0.0621","0.0389","","","0.0739","0.0795","","","","","","1.012","","","","has coordinates,has disorder","222239","2020-10-21","18:00:00",""
"7124419","19.884","0.008","23.01","0.01","23.107","0.011","90","","101.685","0.016","90","","10353","8","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H113 Cl3 Eu N9 O14 -","- C104 H113 Cl3 Eu N9 O14 -","- C416 H452 Cl12 Eu4 N36 O56 -","4","2","","starck, matthieu; MacKenzie, Lewis Edward; Batsanov, Andrei Stepanovich; Parker, David; Pal, Robert","Excitation modulation of Eu:BPEPC based complexes as low-energy reference standards for circularly polarised luminescence (CPL).","Chemical Communications","2019","","","","","10.1039/C9CC07290J","","x-ray","0.71073","MoKα","","0.0763","0.0501","","","0.1053","0.1135","","","","","","1.035","","","","has coordinates,has disorder","222239","2020-10-21","18:00:00",""
"7124420","22.122","0.005","4.6531","0.0012","22.137","0.005","90","","108.971","0.003","90","","2154.9","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 I2 Te -","- C8 H8 I2 Te -","- C64 H64 I16 Te8 -","8","2","","Tavares Luppi, Bruno; McDonald, Robert; Ferguson, Michael J.; Sang, Lingzi; Rivard, Eric","Rapid Access to (Cycloalkyl)tellurophenes Oligomer Mixtures and the First Poly(3-aryltellurophene)","Chemical Communications","2019","","","","","10.1039/C9CC07512G","","","0.71073","MoKα","","0.0461","0.038","","","0.0873","0.0922","","","","","","1.067","","","","has coordinates,has disorder","222240","2020-10-21","18:00:00",""
"7124421","9.1429","0.0005","8.1178","0.0005","31.1553","0.0018","90","","90","","90","","2312.4","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Te -","- C13 H14 Te -","- C104 H112 Te8 -","8","1","","Tavares Luppi, Bruno; McDonald, Robert; Ferguson, Michael J.; Sang, Lingzi; Rivard, Eric","Rapid Access to (Cycloalkyl)tellurophenes Oligomer Mixtures and the First Poly(3-aryltellurophene)","Chemical Communications","2019","","","","","10.1039/C9CC07512G","","","0.71073","MoKα","","0.0415","0.0319","","","0.0781","0.084","","","","","","1.059","","","","has coordinates,has disorder","222240","2020-10-21","18:00:00",""
"7124422","12.4859","0.0006","4.5525","0.0002","17.4405","0.0008","90","","100.567","0.0005","90","","974.54","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 I2 Te -","- C7 H6 I2 Te -","- C28 H24 I8 Te4 -","4","1","","Tavares Luppi, Bruno; McDonald, Robert; Ferguson, Michael J.; Sang, Lingzi; Rivard, Eric","Rapid Access to (Cycloalkyl)tellurophenes Oligomer Mixtures and the First Poly(3-aryltellurophene)","Chemical Communications","2019","","","","","10.1039/C9CC07512G","","","0.71073","MoKα","","0.0198","0.0184","","","0.0422","0.0428","","","","","","1.159","","","","has coordinates","222240","2020-10-21","18:00:00",""
"7124423","8.4728","0.0007","33.754","0.003","6.1208","0.0006","90","","95.686","0.004","90","","1741.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-5a","(Z)-2-(benzyloxy)-N,N-dimethyl-3-phenylpenta-2,4-dienamide","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Das, Shyamsundar; Ko, Nakeun; Lee, Eunsung; Kim, Sang Eun; Lee, Byung Chul","Stereoselective Three-component Cascade Synthesis of α-Substituted 2,4-Dienamide from gem-Difluorochloro Ethanes","Chemical Communications","2019","","","","","10.1039/C9CC07100H","","","0.71073","MoKα","","0.0714","0.0549","","","0.1443","0.156","","","","","","1.051","","","","has coordinates","222241","2020-10-21","18:00:00",""
"7124424","9.2925","0.0009","9.7764","0.001","28.414","0.003","89.994","0.003","89.985","0.003","90.048","0.003","2581.3","0.5","290","2","290","2","","","","","","","","4","P -1","-P 1","2","Z-24","(Z)-N,5-dimethyl-2-phenylhexa-2,4-dienamide","","- C56 H68 N4 O4 -","- C56 H68 N4 O4 -","- C112 H136 N8 O8 -","2","1","","Das, Shyamsundar; Ko, Nakeun; Lee, Eunsung; Kim, Sang Eun; Lee, Byung Chul","Stereoselective Three-component Cascade Synthesis of α-Substituted 2,4-Dienamide from gem-Difluorochloro Ethanes","Chemical Communications","2019","","","","","10.1039/C9CC07100H","","","0.71073","MoKα","","0.308","0.1915","","","0.4975","0.5484","","","","","","1.601","","","","has coordinates","222241","2020-10-21","18:00:00",""
"7124425","11.5932","0.0003","14.511","0.0003","15.1619","0.0004","90","","90","","90","","2550.67","0.11","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N P2 Rh -","- C22 H42 Cl N P2 Rh -","- C88 H168 Cl4 N4 P8 Rh4 -","4","1","","Kawakami, Ryosuke; Kuriyama, Shogo; Tanaka, Hiromasa; Arashiba, Kazuya; Konomi, Asuka; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen into tris(trimethylsilyl)amine using rhodium complexes with pyrrole-based PNP-type pincer ligand","Chemical Communications","2019","","","","","10.1039/C9CC06896A","","","0.71075","MoKα","","0.0287","0.0257","","","0.0574","0.0583","","","","","","1.056","","","","has coordinates","222242","2020-10-21","18:00:00",""
"7124426","15.2008","0.0005","13.0723","0.0004","14.5495","0.0004","90","","118.509","0.008","90","","2540.6","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N3 P2 Rh -","- C22 H42 N3 P2 Rh -","- C88 H168 N12 P8 Rh4 -","4","1","","Kawakami, Ryosuke; Kuriyama, Shogo; Tanaka, Hiromasa; Arashiba, Kazuya; Konomi, Asuka; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen into tris(trimethylsilyl)amine using rhodium complexes with pyrrole-based PNP-type pincer ligand","Chemical Communications","2019","","","","","10.1039/C9CC06896A","","","0.71075","MoKα","","0.0734","0.0526","","","0.1033","0.1102","","","","","","1.145","","","","has coordinates","222242","2020-10-21","18:00:00",""
"7124427","15.2192","0.0004","13.0419","0.0004","14.5491","0.0005","90","","118.51","0.008","90","","2537.6","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 N O P2 Rh -","- C23 H42 N O P2 Rh -","- C92 H168 N4 O4 P8 Rh4 -","4","1","","Kawakami, Ryosuke; Kuriyama, Shogo; Tanaka, Hiromasa; Arashiba, Kazuya; Konomi, Asuka; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen into tris(trimethylsilyl)amine using rhodium complexes with pyrrole-based PNP-type pincer ligand","Chemical Communications","2019","","","","","10.1039/C9CC06896A","","","0.71075","MoKα","","0.0632","0.0459","","","0.1035","0.1087","","","","","","1.097","","","","has coordinates","222242","2020-10-21","18:00:00",""
"7124428","30.3543","0.0009","10.6969","0.0004","31.0098","0.001","90","","92.302","0.007","90","","10060.7","0.6","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H82 Cl K N O8 P2 Rh -","- C42 H82 Cl K N O8 P2 Rh -","- C336 H656 Cl8 K8 N8 O64 P16 Rh8 -","8","1","","Kawakami, Ryosuke; Kuriyama, Shogo; Tanaka, Hiromasa; Arashiba, Kazuya; Konomi, Asuka; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen into tris(trimethylsilyl)amine using rhodium complexes with pyrrole-based PNP-type pincer ligand","Chemical Communications","2019","","","","","10.1039/C9CC06896A","","","0.71075","MoKα","","0.0605","0.0374","","","0.0758","0.0837","","","","","","0.99","","","","has coordinates","222242","2020-10-21","18:00:00",""
"7124429","14.4647","0.0008","7.5084","0.0004","20.9965","0.0011","90","","108.165","0.002","90","","2166.7","0.2","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C5 H12 Bi2 I7 N -","- C5 H12 Bi2 I7 N -","- C20 H48 Bi8 I28 N4 -","4","1","","Dehnhardt, Natalie; Luy, Jan-Niclas; Szabo, Marvin; Wende, Mirco; Tonner, Ralf; Heine, Johanna","Synthesis of a two-dimensional organic‒inorganic bismuth iodide metalate through in situ formation of iminium cations","Chemical Communications","2019","","","","","10.1039/C9CC06625J","","","0.71073","MoKα","","0.0305","0.0222","","","0.0352","0.0367","","","","","","1.111","","","","has coordinates,has disorder","223269","2020-10-21","18:00:00",""
"7124430","6.1986","0.0003","9.7279","0.0004","17.3084","0.0009","87.686","0.004","83.388","0.004","74.34","0.004","998.21","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C48 H40 Br2 N2 O6 -","2","1","","Yang, Fei; Liu, Caiping; Yin, Di; Xu, Yanqing; Wu, Mingyan; Wei, Wei","Atropisomer-based Construction of Macrocyclic Hosts that Selectively Recognize Tryptophan from Standard Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC07646H","","","1.54184","CuKα","","0.0462","0.0423","","","0.1167","0.1193","","","","","","1.08","","","","has coordinates","223270","2020-10-21","18:00:00",""
"7124431","10.1328","0.0002","12.6924","0.0003","15.9749","0.0003","70.388","0.002","74.964","0.002","82.199","0.002","1866.4","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Br2 N2 O4 -","- C42 H28 Br2 N2 O4 -","- C84 H56 Br4 N4 O8 -","2","1","","Yang, Fei; Liu, Caiping; Yin, Di; Xu, Yanqing; Wu, Mingyan; Wei, Wei","Atropisomer-based Construction of Macrocyclic Hosts that Selectively Recognize Tryptophan from Standard Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC07646H","","","1.54184","CuKα","","0.0482","0.0453","","","0.1128","0.115","","","","","","1.056","","","","has coordinates","223270","2020-10-21","18:00:00",""
"7124432","27.3135","0.001","21.0409","0.0008","21.4328","0.0007","90","","90","","90","","12317.4","0.8","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H56 F12 N4 O12 P2 -","- C64 H46 F12 N4 O12 P2 -","- C512 H368 F96 N32 O96 P16 -","8","1","","Yang, Fei; Liu, Caiping; Yin, Di; Xu, Yanqing; Wu, Mingyan; Wei, Wei","Atropisomer-based Construction of Macrocyclic Hosts that Selectively Recognize Tryptophan from Standard Amino Acids","Chemical Communications","2019","","","","","10.1039/C9CC07646H","","","1.54178","CuKα","","0.232","0.138","","","0.3548","0.4098","","","","","","1.331","","","","has coordinates","223270","2020-10-21","18:00:00",""
"7124433","5.9203","0.0013","18.197","0.004","19.707","0.004","90","","90","","90","","2123.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br I N O5 -","- C21 H20 Br I N O5 -","- C84 H80 Br4 I4 N4 O20 -","4","1","","Wu, Shi-Lu; Li, Ning; Yin, Guan-Wu; Xu, Zheng; Ye, Fei; Li, Li; Cui, Yu-Ming; Xu, Li-Wen","Catalytic Asymmetric Cycloaddition with Unsymmetrical EWG-activated Alkenes to Fully Substituted Pyrrolidines Bearing Three Different Carbonyl Groups","Chemical Communications","2019","","","","","10.1039/C9CC07738C","","","0.71073","MoKα","","0.0371","0.0287","","","0.0681","0.0712","","","","","","1.011","","","","has coordinates","223382","2020-10-21","18:00:00",""
"7124434","11.9319","0.0003","12.083","0.0003","13.2689","0.0003","109.533","0.001","101.703","0.001","102.456","0.001","1680.07","0.07","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C29.5 H24 Br Cl F6 N6 P Ru -","- C29.5 H23 Br Cl F6 N6 P Ru -","- C59 H46 Br2 Cl2 F12 N12 P2 Ru2 -","2","1","","Zhang, Zheng-Hao; He, Piao; Kang, Shi-Rui; Liu, Chao; Yi, Xiao-Yi","Reversible Pyrrole-Based Proton Storage/Release in Ruthenium(II) Complexes","Chemical Communications","2019","","","","","10.1039/C9CC08288C","","","0.71073","MoKα","","0.0702","0.0593","","","0.1798","0.1919","","","","","","1.095","","","","has coordinates","223383","2020-10-21","18:00:00",""
"7124435","19.5132","0.0006","10.8824","0.0003","18.0933","0.0005","90","","116.331","0.002","90","","3443.49","0.18","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br F6 N6 O6 Ru S1.76 -","- C31 H23 Br F6 N6 O6 Ru S1.59 -","- C124 H92 Br4 F24 N24 O24 Ru4 S6.36 -","4","1","","Zhang, Zheng-Hao; He, Piao; Kang, Shi-Rui; Liu, Chao; Yi, Xiao-Yi","Reversible Pyrrole-Based Proton Storage/Release in Ruthenium(II) Complexes","Chemical Communications","2019","","","","","10.1039/C9CC08288C","","x-ray","0.71073","MoKα","","0.1042","0.0679","","","0.1663","0.1914","","","","","","1.027","","","","has coordinates,has disorder","223383","2020-10-21","18:00:00",""
"7124436","11.35","0.003","13.447","0.004","10.912","0.003","90","","108.139","0.004","90","","1582.7","0.8","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Zhang, Lin-Bao; Zhu, Ming-Hui; Du, Wu-Bo; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming","Silver-Promoted Regioselective [4+2] Annulation Reaction of Indoles with Alkenes to Construct Dihydropyrimidoindolone Scaffolds","Chemical Communications","2019","","","","","10.1039/C9CC07098B","","","0.71073","MoKα","","0.0505","0.0474","","","0.1026","0.105","","","","","","1.104","","","","has coordinates","223384","2020-10-21","18:00:00",""
"7124437","13.2754","0.0016","13.4235","0.0013","9.5478","0.0009","90","","93.807","0.01","90","","1697.7","0.3","108","0.14","108","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O3 -","- C24 H14 O3 -","- C96 H56 O12 -","4","1","","Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo","Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation","Chemical Communications","2019","","","","","10.1039/C9CC05233J","","x-ray","0.71073","MoKα","","0.0846","0.053","","","0.0943","0.1104","","","","","","1.053","","","","has coordinates","223385","2020-10-21","18:00:00",""
"7124438","8.4942","0.0008","10.2513","0.0009","15.9443","0.0015","94.831","0.001","96.681","0.001","104.819","0.001","1323.7","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H24 O3 -","- C38 H24 O3 -","- C76 H48 O6 -","2","1","","Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo","Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation","Chemical Communications","2019","","","","","10.1039/C9CC05233J","","","0.71073","MoKα","","0.048","0.0433","","","0.1159","0.1219","","","","","","1.059","","","","has coordinates","223385","2020-10-21","18:00:00",""
"7124439","6.9362","0.0005","16.8867","0.0011","21.0716","0.0011","90","","90","","90","","2468.1","0.3","110.6","0.14","110.6","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H17 Cl3 F3 N O6 -","- C27 H17 Cl3 F3 N O6 -","- C108 H68 Cl12 F12 N4 O24 -","4","1","","Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo","Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation","Chemical Communications","2019","","","","","10.1039/C9CC05233J","","x-ray","0.71073","MoKα","","0.0625","0.0518","","","0.118","0.1266","","","","","","1.047","","","","has coordinates","223385","2020-10-21","18:00:00",""
"7124440","7.2581","0.0015","14.444","0.003","17.808","0.004","75.829","0.004","84.143","0.004","87.362","0.005","1800.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 Cl2 O3 -","- C24 H12 Cl2 O3 -","- C96 H48 Cl8 O12 -","4","2","","Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo","Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation","Chemical Communications","2019","","","","","10.1039/C9CC05233J","","","0.71073","MoKα","","0.0511","0.0439","","","0.1066","0.1159","","","","","","1.107","","","","has coordinates","223385","2020-10-21","18:00:00",""
"7124441","13.3669","0.0016","6.5367","0.0003","16.812","0.0014","90","","112.656","0.012","90","","1355.6","0.2","107.7","0.1","107.7","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C76 H48 O12 -","4","1","","Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo","Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation","Chemical Communications","2019","","","","","10.1039/C9CC05233J","","x-ray","0.71073","MoKα","","0.0618","0.0467","","","0.1033","0.1141","","","","","","1.035","","","","has coordinates","223385","2020-10-21","18:00:00",""
"7124442","7.963","0.0007","10.0358","0.0009","28.017","0.003","90","","91.863","0.003","90","","2237.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O6 S -","- C25 H24 N2 O6 S -","- C100 H96 N8 O24 S4 -","4","1","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","","1.54178","CuKα","","0.0372","0.0372","","","0.0963","0.0963","","","","","","1.055","","","","has coordinates","223386","2020-10-21","18:00:00",""
"7124443","18.4668","0.0016","17.8732","0.0016","16.6797","0.0014","90","","95.476","0.006","90","","5480.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 B F24 N P2 -","- C58 H36 B F24 N P2 -","- C232 H144 B4 F96 N4 P8 -","4","0.5","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","x-ray","0.71073","MoKα","","0.1061","0.0543","","","0.1304","0.1568","","","","","","1.022","","","","has coordinates","223386","2020-10-21","18:00:00",""
"7124444","8.0303","0.0006","26.226","0.002","23.4324","0.0019","90","","90.377","0.005","90","","4934.8","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 B F20 Mn N O P4 -","- C45 H51 B F20 Mn N O P4 -","- C180 H204 B4 F80 Mn4 N4 O4 P16 -","4","1","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","x-ray","0.71073","MoKα","","0.1411","0.0898","","","0.1906","0.2093","","","","","","1.097","","","","has coordinates,has disorder","223386","2020-10-21","18:00:00",""
"7124445","12.129","0.0011","18.6974","0.0017","36.581","0.003","90","","90","","90","","8295.9","1.3","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C86 H60 B F24 Mn O2 P4 -","- C86 H60 B F24 Mn O2 P4 -","- C344 H240 B4 F96 Mn4 O8 P16 -","4","0.5","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","x-ray","0.71073","MoKα","","0.1076","0.0686","","","0.1601","0.1811","","","","","","1.028","","","","has coordinates","223386","2020-10-21","18:00:00",""
"7124446","13.128","0.005","18.154","0.006","18.203","0.006","96.069","0.012","92.463","0.014","99.009","0.015","4253","3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C87 H67 B Cl4 F24 Mn N O P4 -","- C87 H67 B Cl4 F24 Mn N O P4 -","- C174 H134 B2 Cl8 F48 Mn2 N2 O2 P8 -","2","1","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","x-ray","0.71073","MoKα","","0.0656","0.0537","","","0.1273","0.1379","","","","","","1.021","","","","has coordinates,has disorder","223386","2020-10-21","18:00:00",""
"7124447","10.9026","0.0007","12.5479","0.0009","15.0949","0.0009","69.272","0.004","70.857","0.004","78.274","0.004","1815.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24.5 B F20 N O0.25 P2 -","- C34 H24.5 B F20 N O0.25 P2 -","- C68 H49 B2 F40 N2 O0.5 P4 -","2","1","","Cook, Brian J.; Johnson, Samantha I.; Chambers, Geoffrey M.; Kaminsky, Werner; Bullock, R. Morris","Triple Hydrogen Atom Abstraction from Mn-NH3 Complexes Results in Cyclophosphazenium Cations","Chemical Communications","2019","","","","","10.1039/C9CC06915A","","x-ray","0.71073","MoKα","","0.1091","0.0498","","","0.1035","0.1264","","","","","","1.014","","","","has coordinates,has disorder","223386","2020-10-21","18:00:00",""
"7124448","23.9255","0.0013","7.4483","0.0007","18.7126","0.0011","90","","90","","90","","3334.7","0.4","293","2","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H26 Cl2 N8 O6 Pd2 -","- C29 H26 Cl2 N8 O6 Pd2 -","- C116 H104 Cl8 N32 O24 Pd8 -","4","0.5","","Mao, Yang-Jie; Luo, Gen; Hao, Hong-Yan; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Anion Ligand Promoted Selective C-F Bond Reductive Elimination Enables C(sp2)-H Fluorination","Chemical Communications","2019","","","","","10.1039/C9CC07726J","","","0.71073","MoKα","","0.0823","0.0598","","","0.148","0.1668","","","","","","1.057","","","","has coordinates","223387","2020-10-21","18:00:00",""
"7124449","33.8026","0.0006","4.6919","0.0001","20.2989","0.0004","90","","101.14","0.001","90","","3158.71","0.11","302","2","302.25","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 O3 Pd -","- C14 H14 N4 O3 Pd -","- C112 H112 N32 O24 Pd8 -","8","1","","Mao, Yang-Jie; Luo, Gen; Hao, Hong-Yan; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Anion Ligand Promoted Selective C-F Bond Reductive Elimination Enables C(sp2)-H Fluorination","Chemical Communications","2019","","","","","10.1039/C9CC07726J","","","1.34139","GaKα","","0.0426","0.0301","","","0.073","0.0819","","","","","","1.062","","","","has coordinates","223387","2020-10-21","18:00:00",""
"7124450","7.387","0.0002","9.3722","0.0002","15.5339","0.0004","73.192","0.001","85.049","0.001","75.31","0.001","995.76","0.04","170","2","169.97","","","","","","","","","5","P 1","P 1","1","","","","- C24 H28 F N O2 -","- C24 H28 F N O2 -","- C48 H56 F2 N2 O4 -","2","2","","Mao, Yang-Jie; Luo, Gen; Hao, Hong-Yan; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Anion Ligand Promoted Selective C-F Bond Reductive Elimination Enables C(sp2)-H Fluorination","Chemical Communications","2019","","","","","10.1039/C9CC07726J","","","1.34139","GaKα","","0.0365","0.036","","","0.0994","0.1003","","","","","","1.042","","","","has coordinates","223387","2020-10-21","18:00:00",""
"7124451","14.2552","0.0003","22.1202","0.0007","7.4973","0.0002","90","","90","","90","","2364.11","0.11","125","","125","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C16 H12 F2 O -","- C16 H12 F2 O -","- C128 H96 F16 O8 -","8","1","","Fang, Zeguo; Gillatt, Roscoe; Slawin, Alexandra; Cordes, David Bradford; Carpenter-Warren, Cameron L.; O'Hagan, David","Unexpected a,a’-difluoroethers from Ag(I)F and N-bromosuccinimide reactions of dibenzo[a,e]cyclooctatetraene","Chemical Communications","2019","","","","","10.1039/C9CC06426E","","x-ray","1.54184","CuKα","","0.0697","0.0531","","","0.1248","0.1362","","","","","","1.043","","","","has coordinates,has disorder","223388","2020-10-21","18:00:00",""
"7124452","12.7703","0.0004","7.4822","0.0002","13.8047","0.0005","90","","110.433","0.004","90","","1236.05","0.08","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F4 -","- C16 H12 F4 -","- C64 H48 F16 -","4","1","","Fang, Zeguo; Gillatt, Roscoe; Slawin, Alexandra; Cordes, David Bradford; Carpenter-Warren, Cameron L.; O'Hagan, David","Unexpected a,a’-difluoroethers from Ag(I)F and N-bromosuccinimide reactions of dibenzo[a,e]cyclooctatetraene","Chemical Communications","2019","","","","","10.1039/C9CC06426E","","x-ray","1.54184","CuKα","","0.0672","0.0625","","","0.1818","0.1869","","","","","","1.031","","","","has coordinates","223388","2020-10-21","18:00:00",""
"7124453","14.2342","0.0006","14.2342","0.0006","14.2342","0.0006","90","","90","","90","","2884","0.2","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ba6 Cu2 Fe Ge4 S16 -","- Ba6 Cu1.9998 Fe0.9999 Ge4 S16 -","- Ba24 Cu7.9992 Fe3.9996 Ge16 S64 -","4","0.0833333","","Cao, Wangzhu; Mei, Dajiang; Yang, Yi; Wu, YuanWang; Zhang, Lingyun; Wu, Yuandong; He, Xiao; Lin, Zheshuai; Huang, Fu Qiang","From CuFeS2 to Ba6Cu2FeGe4S16: Rational Band Gap Engineering Achieves Large Second-Harmonic-Generation Together with High Laser Damage Threshold","Chemical Communications","2019","","","","","10.1039/C9CC07288H","","","0.71073","MoKα","","0.031","0.0297","","","0.0701","0.0709","","","","","","1.102","","","","has coordinates","223389","2020-10-21","18:00:00",""
"7124454","9.5967","0.0008","14.6083","0.0012","24.1283","0.0019","90","","90","","90","","3382.6","0.5","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C128 H128 N16 O40 S8 -","8","1","","Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; Li, Yun; Zhai, HB","Pyridinium 1,4-Zwitterionic Thiolates as a useful Class of Sulfur-containing Synthons: Application to the Synthesis of 2,5-Dihydro-1,4,5-thiadiazepines","Chemical Communications","2019","","","","","10.1039/C9CC08326J","","","0.71073","MoKα","","0.043","0.0346","","","0.0895","0.096","","","","","","1.028","","","","has coordinates","223390","2020-10-21","18:00:00",""
"7124455","9.1191","0.0007","26.9873","0.0015","7.2702","0.0005","90","","105.108","0.007","90","","1727.4","0.2","292.46","0.1","292.46","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O7 S -","- C16 H16 N2 O7 S -","- C64 H64 N8 O28 S4 -","4","1","","Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; Li, Yun; Zhai, HB","Pyridinium 1,4-Zwitterionic Thiolates as a useful Class of Sulfur-containing Synthons: Application to the Synthesis of 2,5-Dihydro-1,4,5-thiadiazepines","Chemical Communications","2019","","","","","10.1039/C9CC08326J","","","0.71073","MoKα","","0.0888","0.0551","","","0.1068","0.1303","","","","","","1.047","","","","has coordinates","223390","2020-10-21","18:00:00",""
"7124456","8.8077","0.0006","14.2501","0.0011","28.349","0.002","95.311","0.002","91.077","0.002","95.834","0.002","3523","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H37.5 Cl2.5 Co N6 O5.5 -","- C34.5 H37.5 Cl2.5 Co N6 O5.5 -","- C138 H150 Cl10 Co4 N24 O22 -","4","2","","Wang, Feng; Hu, Jun-Chao; Sun, Shanshan; Li, Ming-De; Xia, Wu; Wu, Jin; Liu, Hongfang","A biomimetic self-assembly Cobaloxime@CdS/rGO hybrid for boosting photocatalytic H2 production","Chemical Communications","2019","","","","","10.1039/C9CC08512B","","x-ray","0.71073","MoKα","","0.1515","0.0704","","","0.1621","0.2019","","","","","","1.013","","","","has coordinates","223435","2020-10-21","18:00:00",""
"7124457","28.225","0.005","28.225","0.005","22.062","0.004","90","","90","","90","","17576","5","296.15","","296.15","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C48 H118 N32 O51 -","- C48 H48 N32 O16 -","- C384 H384 N256 O128 -","8","0.5","","Chen, Li-Xia; Liu, Ming; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jinxin; Zhu, Bixue; Tao, Zhu","Outer surface interaction to drive cucurbit[8]uril-based supramolecular frameworks: possible application in gold recovery","Chemical Communications","2019","","","","","10.1039/C9CC07147D","","x-ray","0.71073","MoKα","","0.1255","0.0742","","","0.1711","0.1941","","","","","","1.023","","","","has coordinates","225405","2020-10-21","18:00:00",""
"7124458","29.828","0.003","29.828","0.003","24.556","0.003","90","","90","","120","","18921","4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H48 N32 O16 -","- C48 H48 N32 O16 -","- C432 H432 N288 O144 -","9","0.5","","Chen, Li-Xia; Liu, Ming; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jinxin; Zhu, Bixue; Tao, Zhu","Outer surface interaction to drive cucurbit[8]uril-based supramolecular frameworks: possible application in gold recovery","Chemical Communications","2019","","","","","10.1039/C9CC07147D","","x-ray","0.71073","MoKα","","0.0822","0.0516","","","0.1351","0.1456","","","","","","1.081","","","","has coordinates","225405","2020-10-21","18:00:00",""
"7124459","10.1696","0.0005","17.3936","0.0008","18.8594","0.0008","95.703","0.004","94.597","0.004","90.041","0.004","3308.6","0.3","99.98","0.13","99.98","0.13","","","","","","","","3","P -1","-P 1","2","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C144 H184 N8 -","4","2","","Ghadwal, Rajendra S.; Sharma, Mahendra; Neumann, Beate; Stammler, Georg; Andrada, Diego M.","Electrophilic terminal arsinidene-iron(0) complexes with a two-coordinated arsenic atom","Chemical Communications","2019","","","","","10.1039/C9CC08630G","","x-ray","1.54184","CuKα","","0.1099","0.0632","","","0.1571","0.1882","","","","","","1.013","","","","has coordinates","227483","2020-10-21","18:00:00",""
"7124460","22.4516","0.0005","9.0396","0.0002","17.926","0.0004","90","","105.448","0.002","90","","3506.71","0.14","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 As Cl2 N2 -","- C39 H48 As Cl2 N2 -","- C156 H192 As4 Cl8 N8 -","4","1","","Ghadwal, Rajendra S.; Sharma, Mahendra; Neumann, Beate; Stammler, Georg; Andrada, Diego M.","Electrophilic terminal arsinidene-iron(0) complexes with a two-coordinated arsenic atom","Chemical Communications","2019","","","","","10.1039/C9CC08630G","","x-ray","0.71073","MoKα","","0.0718","0.044","","","0.083","0.0934","","","","","","1.029","","","","has coordinates,has disorder","227483","2020-10-21","18:00:00",""
"7124461","18.4632","0.0003","10.6939","0.0002","40.9108","0.0008","90","","101.601","0.0018","90","","7912.6","0.3","100.01","0.11","100.01","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H49 As Fe N2 O4.5 -","- C40 H45 As Fe N2 O4 -","- C320 H360 As8 Fe8 N16 O32 -","8","1","","Ghadwal, Rajendra S.; Sharma, Mahendra; Neumann, Beate; Stammler, Georg; Andrada, Diego M.","Electrophilic terminal arsinidene-iron(0) complexes with a two-coordinated arsenic atom","Chemical Communications","2019","","","","","10.1039/C9CC08630G","","x-ray","0.71073","MoKα","","0.0725","0.0464","","","0.108","0.1192","","","","","","1.036","","","","has coordinates,has disorder","227483","2020-10-21","18:00:00",""
"7124462","10.33882","0.00014","20.3971","0.0003","20.0912","0.0002","90","","102.908","0.0013","90","","4129.81","0.09","100","0.01","100","0.01","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H53 As Fe N4 O4 -","- C45 H53 As Fe N4 O4 -","- C180 H212 As4 Fe4 N16 O16 -","4","1","","Ghadwal, Rajendra S.; Sharma, Mahendra; Neumann, Beate; Stammler, Georg; Andrada, Diego M.","Electrophilic terminal arsinidene-iron(0) complexes with a two-coordinated arsenic atom","Chemical Communications","2019","","","","","10.1039/C9CC08630G","","x-ray","1.54184","CuKα","","0.0393","0.0328","","","0.0822","0.0866","","","","","","1.044","","","","has coordinates","227483","2020-10-21","18:00:00",""
"7124463","10.5768","0.0003","17.836","0.0004","21.1952","0.0004","81.8399","0.0016","87.3548","0.0019","85.871","0.002","3945.06","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 As Fe N2 O4 -","- C38 H41 As Fe N2 O4 -","- C152 H164 As4 Fe4 N8 O16 -","4","2","","Ghadwal, Rajendra S.; Sharma, Mahendra; Neumann, Beate; Stammler, Georg; Andrada, Diego M.","Electrophilic terminal arsinidene-iron(0) complexes with a two-coordinated arsenic atom","Chemical Communications","2019","","","","","10.1039/C9CC08630G","","x-ray","1.54184","CuKα","","0.0403","0.0356","","","0.0911","0.0951","","","","","","1.037","","","","has coordinates,has disorder","227483","2020-10-21","18:00:00",""
"7124464","10.58","0.004","23.646","0.009","30.45","0.011","90","","90","","90","","7618","5","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H21 N O -","- C25 H21 N O -","- C400 H336 N16 O16 -","16","2","","xu, kunhua; chen, wenming; lin, jin; chen, guifang; wang, biao; Xu, Tian","Facile Synthesis of 9H-Pyrrolo[1,2-a]indoles Via Brønsted Acid Catalyzed Cascade Reaction","Chemical Communications","2019","","","","","10.1039/C9CC07228D","","","0.71073","MoKα","","0.1143","0.0516","","","0.1078","0.1336","","","","","","1.012","","","","has coordinates","227485","2020-10-21","18:00:00",""
"7124465","16.9959","0.0006","10.4193","0.0004","30.6729","0.0011","90","","90.081","0.003","90","","5431.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 N2 -","- C33 H26 N2 -","- C264 H208 N16 -","8","1","","xu, kunhua; chen, wenming; lin, jin; chen, guifang; wang, biao; Xu, Tian","Facile Synthesis of 9H-Pyrrolo[1,2-a]indoles Via Brønsted Acid Catalyzed Cascade Reaction","Chemical Communications","2019","","","","","10.1039/C9CC07228D","","","1.54178","CuKα","","0.1568","0.1324","","","0.3673","0.3965","","","","","","1.499","","","","has coordinates","227485","2020-10-21","18:00:00",""
"7124466","8.729","0.009","8.729","0.009","33.58","0.04","90","","90","","120","","2216","4","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H42 Cl2 Cu N4 O14 -","- C16 H42 Cl2 Cu N4 O14 -","- C48 H126 Cl6 Cu3 N12 O42 -","3","0.5","","Nakakoji, Takashi; Sato, Hirofumi; Ono, Daisuke; Miyake, Hiroyuki; Shinoda, Satoshi; Tsukube, Hiroshi; Kawasaki, Hideya; Arakawa, Ryuichi; Shizuma, Motohiro","Mass spectrometric detection of enantioselectivity in three-component complexation, copper(ii)-chiral tetradentate ligand-free amino acid in solution.","Chemical communications (Cambridge, England)","2019","56","1","54","57","10.1039/c9cc07231d","","","0.7107","MoKα","","0.0448","0.0415","","","0.0939","0.0971","","","","","","1.277","","","","has coordinates,has disorder","247577","2020-10-21","18:00:00",""
"7124467","18.5763","0.001","40.241","0.002","5.6042","0.0003","90","","90","","90","","4189.3","0.4","289","2","289","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H16 F4 -","- C26 H16 F4 -","- C208 H128 F32 -","8","0.5","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","0.71073","MoKα","","0.0494","0.0396","","","0.0955","0.1034","","","","","","1.057","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124468","9.3392","0.0007","15.1764","0.0014","21.938","0.002","90","","90","","90","","3109.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetrabromophenylethene","","","- C34 H32 Br4 O2 -","- C34 H32 Br4 O2 -","- C136 H128 Br16 O8 -","4","1","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","0.71073","MoKα","","0.0765","0.0458","","","0.0871","0.0986","","","","","","1.017","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124469","9.6191","0.0005","17.2316","0.0006","18.9386","0.0008","90","","90","","90","","3139.1","0.2","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetraiodophenylethene","","","- C26 H22 I4 O3 -","- C26 H22 I4 O3 -","- C104 H88 I16 O12 -","4","1","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","0.71073","MoKα","","0.0597","0.0432","","","0.1246","0.1342","","","","","","1.064","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124470","20.1695","0.001","9.8843","0.0005","23.3874","0.0011","90","","92.701","0.002","90","","4657.4","0.4","298","2","298.32","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl4 -","- C26 H16 Cl4 -","- C208 H128 Cl32 -","8","2","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","1.54178","CuKα","","0.0825","0.0708","","","0.1875","0.2078","","","","","","1.051","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124481","13.4056","0.0006","15.3549","0.0006","24.7629","0.0012","91.038","0.002","94.84","0.002","113.84","0.002","4638.1","0.4","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H148 Br6 Dy2 O4 P4 -","- C79 H140 Br6 Dy2 O4 P4 -","- C158 H280 Br12 Dy4 O8 P8 -","2","1","","Li, Min; Wu, Haipeng; Xia, Zhengqiang; Montigaud, Vincent; Cador, Olivier; Le Guennic, Boris; Ke, Hongshan; Wang, Wenyuan; Xie, Gang; Chen, Sanping","Bromine-bridged Dy2 single-molecule magnet: magnetic anisotropy driven by cis/trans stereoisomers","Chemical Communications","2019","","","","","10.1039/C9CC07552F","","","0.71073","MoKα","","0.0497","0.0331","","","0.07","0.0768","","","","","","1.013","","","","has coordinates","227741","2020-10-21","18:00:00",""
"7124482","13.453","0.005","15.414","0.006","24.917","0.01","90.982","0.012","94.971","0.012","113.756","0.011","4704","3","153","2","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H148 Br6 Gd2 O4 P4 -","- C79 H140 Br6 Gd2 O4 P4 -","- C158 H280 Br12 Gd4 O8 P8 -","2","1","","Li, Min; Wu, Haipeng; Xia, Zhengqiang; Montigaud, Vincent; Cador, Olivier; Le Guennic, Boris; Ke, Hongshan; Wang, Wenyuan; Xie, Gang; Chen, Sanping","Bromine-bridged Dy2 single-molecule magnet: magnetic anisotropy driven by cis/trans stereoisomers","Chemical Communications","2019","","","","","10.1039/C9CC07552F","","","0.71073","MoKα","","0.0586","0.0456","","","0.1101","0.1176","","","","","","1.143","","","","has coordinates","227741","2020-10-21","18:00:00",""
"7124485","7.7938","0.0016","19.374","0.003","13.085","0.002","90","","102.646","0.007","90","","1927.9","0.6","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 B20 -","- C32 H54 B20 -","- C64 H108 B40 -","2","0.5","","So, Hyunhee; Kim, Jaeho; Lee, Ji Hye; Hwang, Hyonseok; An, Duk Keun; Lee, Kang Mun","Planarity of Terphenyl Rings Possessing o-Carborane Cages: Turning on Intramolecular-Charge-Transfer-Based Emission","Chemical Communications","2019","","","","","10.1039/C9CC07729D","","","0.71073","MoKα","","0.0888","0.0695","","","0.1753","0.1902","","","","","","1.032","","","","has coordinates,has disorder","227743","2020-10-21","18:00:00",""
"7124498","9.191","0.004","13.066","0.006","15.321","0.007","90","","97.757","0.009","90","","1823.1","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B2 Ba4 S12 -","- B2 Ba4 S12 -","- B8 Ba16 S48 -","4","1","","Li, Guangmao; Li, Junjie; Wu, Kui; Yang, Zhihua; Pan, Shilie","Ba4(BS3S)2S4: A New Thioborate with Unprecedented [BS3-S] and [S4] Fundamental Building Blocks","Chemical Communications","2019","","","","","10.1039/C9CC07930K","","","0.71073","MoKα","","0.0707","0.0427","","","0.075","0.0853","","","","","","0.973","","","","has coordinates","227852","2020-10-21","18:00:00",""
"7124499","22.4467","0.0013","18.9064","0.0009","11.4637","0.0005","90","","97.463","0.005","90","","4823.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","quinazoline","","","- C24 H25 Cl N4 O4 S -","- C24 H25 Cl N4 O4 S -","- C192 H200 Cl8 N32 O32 S8 -","8","2","","Ansari, Arshad J.; Wani, Aabid; Maurya, Antim Kumar; Verma, Sarika; Agnihotri, Vijai K.; Sharon, Ashoke; Bharatam, Prasad V.; Sawant, Devesh M.","An unprecedented N- to C-sulfonyl migration in the reaction of azomethine amine and allenoates: Access to arylsulfonylmethyl substituted pyrazolo[1,5-c]quinazoline and mechanistic studies","Chemical Communications","2019","","","","","10.1039/C9CC06751E","","","0.71073","MoKα","","0.1147","0.0769","","","0.2421","0.2696","","","","","","1.076","","","","has coordinates,has disorder","227853","2020-10-21","18:00:00",""
"7124500","5.6324","0.0004","30.062","0.002","6.7574","0.0006","90","","111.203","0.003","90","","1066.72","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Yadava, Khushboo; Qin, Xian; Liu, Xiaogang; Vittal, Jagadese","Straight, bendable and bent organic crystals","Chemical Communications","2019","","","","","10.1039/C9CC07774J","","","0.71073","MoKα","","0.0781","0.0525","","","0.1235","0.1357","","","","","","1.067","","","","has coordinates","227854","2020-10-21","18:00:00",""
"7124501","13.1648","0.0006","24.9566","0.001","21.5935","0.0009","90","","107.569","0.002","90","","6763.6","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C66.5 H57 B Br4 Cl3 I N6 Ru S3 -","- C66.5 H57 B Br4 Cl3 I N6 Ru S3 -","- C266 H228 B4 Br16 Cl12 I4 N24 Ru4 S12 -","4","1","","Gisbert, Yohan; ABID, Seifallah; Bertrand, Gaelle; Kammerer, Claire; Rapenne, Gwenael; Saffon-Merceron, Nathalie","Modular synthesis of pentaarylcyclopentadienyl Ru-based molecular machines via sequential Pd-catalysed cross couplings","Chemical Communications","2019","","","","","10.1039/C9CC08384G","","","1.54178","CuKα","","0.1073","0.0737","","","0.1759","0.1953","","","","","","1.023","","","","has coordinates,has disorder","227855","2020-10-21","18:00:00",""
"7124507","12.859","0.0003","13.8291","0.0004","24.3771","0.0006","85.237","0.002","77.006","0.002","85.321","0.002","4200.51","0.19","123","","123","","","","","","","","","5","P 1","P 1","1","cyclohexanohemicucurbit[6]uril complex with zinc tetraphenylporphyrin","","","- C185 H206 N32 O14 Zn2 -","- C185 H206 N32 O14 Zn2 -","- C185 H206 N32 O14 Zn2 -","1","1","","Ustrnul, Lukaš; Kaabel, Sandra; Burankova, Tatsiana; Martõnova, Jevgenija; Adamson, Jasper; Konrad, Nele; Burk, Peeter; Borovkov, Victor; Aav, Riina","Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8)","Chemical Communications","2019","","","","","10.1039/C9CC07150D","","x-ray","1.54184","CuKα","","0.0746","0.06","","","0.1419","0.1562","","","","","","1.019","","","","has coordinates,has disorder","227950","2020-10-21","18:00:00",""
"7124508","17.6254","0.0002","18.115","0.0002","35.0077","0.0004","86.071","0.001","82.833","0.001","87.195","0.001","11054.8","0.2","123","2","123","","","","","","","","","6","P 1","P 1","1","cyclohexanohemicucurbit[8]uril complex with zinc tetraphenylporphyrin","","","- C154.67 H158.67 Cl4 N24 O8.67 Zn2 -","- C154.667 H158.667 Cl4 N24 O8.66667 Zn2 -","- C464 H476 Cl12 N72 O26 Zn6 -","3","3","","Ustrnul, Lukaš; Kaabel, Sandra; Burankova, Tatsiana; Martõnova, Jevgenija; Adamson, Jasper; Konrad, Nele; Burk, Peeter; Borovkov, Victor; Aav, Riina","Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8)","Chemical Communications","2019","","","","","10.1039/C9CC07150D","","x-ray","1.54184","CuKα","","0.067","0.0625","","","0.1809","0.1927","","","","","","0.827","","","","has coordinates,has disorder","227950","2020-10-21","18:00:00",""
"7124509","8.9309","0.0008","15.243","0.0013","17.0309","0.0015","90","","101.808","0.003","90","","2269.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O3 -","- C30 H21 N O3 -","- C120 H84 N4 O12 -","4","1","","Jiang, Bo; Chen, Ke; Xu, Ting; Liang , Jian; Zhou, Meng; Zhang, Jie; Hao, Wen-Juan; Wang, Jianyi; Tu, Shu-Jiang","Completely regioselective insertion of unsymmetrical alkynes into electron-deficient alkenes for the synthesis of new pentacyclic indoles","Chemical Communications","2019","","","","","10.1039/C9CC08762A","","","0.71073","MoKα","","0.1288","0.0559","","","0.1115","0.13","","","","","","1.068","","","","has coordinates","231014","2020-10-21","18:00:00",""
"7124510","9.6509","0.001","16.0605","0.0017","18.319","0.002","85.627","0.004","76.636","0.003","75.927","0.004","2679","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","Compound-3","","","- C33 H32 O4 -","- C33 H32 O4 -","- C132 H128 O16 -","4","2","","Nishikawa, Tsuyoshi; Narita, Hiroki; Ogi, Soichiro; Sato, Yoshikatsu; Yamaguchi, Shigehiro","Hydrophobicity and CH/π-interaction-driven self-assembly of amphiphilic aromatic hydrocarbons into nanosheets","Chemical Communications","2019","","","","","10.1039/C9CC08070H","","","0.71075","MoKα","","0.0544","0.044","","","0.1258","0.1457","","","","","","1.081","","","","has coordinates,has disorder","231015","2020-10-21","18:00:00",""
"7124511","10.461","0.0004","7.4395","0.0002","22.5216","0.0007","90","","94.046","0.003","90","","1748.37","0.1","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Biphenylanthracene","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Nishikawa, Tsuyoshi; Narita, Hiroki; Ogi, Soichiro; Sato, Yoshikatsu; Yamaguchi, Shigehiro","Hydrophobicity and CH/π-interaction-driven self-assembly of amphiphilic aromatic hydrocarbons into nanosheets","Chemical Communications","2019","","","","","10.1039/C9CC08070H","","","0.71073","MoKa","","0.0584","0.039","","","0.0907","0.0988","","","","","","1.032","","","","has coordinates","231015","2020-10-21","18:00:00",""
"7124512","23.0332","0.0001","23.0332","0.0001","9.5153","0.0001","90","","90","","90","","5048.14","0.06","90","2","90","2","","","","","","","","3","P 42/n :2","-P 4bc","86","Compound-6","","","- C32 H30 O4 -","- C32 H30 O4 -","- C256 H240 O32 -","8","1","","Nishikawa, Tsuyoshi; Narita, Hiroki; Ogi, Soichiro; Sato, Yoshikatsu; Yamaguchi, Shigehiro","Hydrophobicity and CH/π-interaction-driven self-assembly of amphiphilic aromatic hydrocarbons into nanosheets","Chemical Communications","2019","","","","","10.1039/C9CC08070H","","","0.8104","Synchrotron","","0.0603","0.0543","","","0.1454","0.1506","","","","","","1.033","","","","has coordinates,has disorder","231015","2020-10-21","18:00:00",""
"7124513","10.4323","0.0004","10.4323","0.0004","14.3109","0.0008","90","","90","","90","","1557.5","0.12","299","2","299.11","","","","","","","","","5","P 43","P 4cw","78","","","","- C9 H2 Eu N O7 -","- C9 H4 Eu N O7 -","- C36 H16 Eu4 N4 O28 -","4","1","","Wu, Dai; Zhang, Zhe; Chen, Xiwen; Meng, Lingkun; Li, Chunguang; Li, Guanghua; Chen, Xiao-Bo; Shi, Zhan; Feng, Shouhua","A non-luminescent Eu-MOF-based “turn-on” sensor towards anthrax biomark through single-crystal to single-crystal phase transition","Chemical Communications","2019","","","","","10.1039/C9CC08206A","","","0.71073","MoKα","","0.0509","0.0397","","","0.1135","0.1239","","","","","","0.976","","","","has coordinates","231016","2020-10-21","18:00:00",""
"7124514","14.564","0.003","14.564","0.003","14.223","0.004","90","","90","","90","","3016.8","1.2","299","2","299.02","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C9 H3 Eu N O7 -","- C9 H3 Eu N O7 -","- C72 H24 Eu8 N8 O56 -","8","1","","Wu, Dai; Zhang, Zhe; Chen, Xiwen; Meng, Lingkun; Li, Chunguang; Li, Guanghua; Chen, Xiao-Bo; Shi, Zhan; Feng, Shouhua","A non-luminescent Eu-MOF-based “turn-on” sensor towards anthrax biomark through single-crystal to single-crystal phase transition","Chemical Communications","2019","","","","","10.1039/C9CC08206A","","","0.71073","MoKα","","0.046","0.0392","","","0.1137","0.1232","","","","","","1.127","","","","has coordinates,has disorder","231016","2020-10-21","18:00:00",""
"7124519","13.66","0.0003","14.2151","0.0003","35.8526","0.0009","90","","95.642","0.002","90","","6928.1","0.3","133.15","","133.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60 N2 P4 S12 -","- C72 H60 N2 P4 S12 -","- C288 H240 N8 P16 S48 -","4","1","","Chivers, Tristram; Edelmann, Frank T.; Liebing , Phil; Hilfert, Liane; Goldhahn , R.; Feneberg, Martin; Swanson, Claudia; kueling, marcel","Catenated and Spirocyclic Polychalcogenides from Potassium Carbonate and Elemental Chalcogens","Chemical Communications","2019","","","","","10.1039/C9CC08347B","","","0.71073","MoKα","","0.0385","0.0351","","","0.0852","0.0879","","","","","","1.054","","","","has coordinates","231063","2020-10-21","18:00:00",""
"7124520","10.9704","0.0003","18.3061","0.0004","17.763","0.0005","90","","95.713","0.002","90","","3549.54","0.16","133.15","","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 N2 P4 Se11 -","- C72 H60 N2 P4 Se11 -","- C144 H120 N4 P8 Se22 -","2","0.5","","Chivers, Tristram; Edelmann, Frank T.; Liebing , Phil; Hilfert, Liane; Goldhahn , R.; Feneberg, Martin; Swanson, Claudia; kueling, marcel","Catenated and Spirocyclic Polychalcogenides from Potassium Carbonate and Elemental Chalcogens","Chemical Communications","2019","","","","","10.1039/C9CC08347B","","","0.71073","MoKα","","0.0732","0.0439","","","0.0776","0.0872","","","","","","1.116","","","","has coordinates","231063","2020-10-21","18:00:00",""
"7124521","13.0798","0.0005","14.2813","0.0008","19.7342","0.0008","90","","102.562","0.003","90","","3598","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H58 B N3 -","- C41 H58 B N3 -","- C164 H232 B4 N12 -","4","1","","Okuda, Jun; Schuhknecht, Danny; Spaniol, Thomas Paul; Laurent, Maron; Douair, Iskander","A Tetranuclear Calcium Hydride Cluster with a Highly Symmetric [Ca4H6]2+ Core","Chemical Communications","2019","","","","","10.1039/C9CC08540H","","x-ray","0.71073","MoKα","","0.1248","0.0733","","","0.1726","0.1849","","","","","","1.075","","","","has coordinates","231064","2020-10-21","18:00:00",""
"7124522","18.88272","0.00018","18.88272","0.00018","16.61907","0.00016","90","","90","","90","","5925.65","0.1","100","","100","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C58 H97 B Ca2 N6 O2 -","- C58 H97 B Ca2 N6 O2 -","- C232 H388 B4 Ca8 N24 O8 -","4","0.5","","Okuda, Jun; Schuhknecht, Danny; Spaniol, Thomas Paul; Laurent, Maron; Douair, Iskander","A Tetranuclear Calcium Hydride Cluster with a Highly Symmetric [Ca4H6]2+ Core","Chemical Communications","2019","","","","","10.1039/C9CC08540H","","x-ray","1.54178","CuKα","","0.0527","0.0511","","","0.1394","0.1419","","","","","","1.043","","","","has coordinates,has disorder","231064","2020-10-21","18:00:00",""
"7124523","17.9517","0.0006","22.8784","0.001","7.7265","0.0002","90","","90","","90","","3173.32","0.19","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H20 Al Cl N2 -","- C16 H20 Al Cl N2 -","- C128 H160 Al8 Cl8 N16 -","8","1","","Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay","Organoaluminum cations for carbonyl activation","Chemical Communications","2019","","","","","10.1039/C9CC08272G","","","0.71073","MoKα","","0.0552","0.0354","","","0.0786","0.089","","","","","","1.011","","","","has coordinates","231099","2020-10-21","18:00:00",""
"7124524","13.7249","0.0005","12.1252","0.0004","36.2951","0.0012","90","","92.707","0.002","90","","6033.4","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 Al B Cl8 N8 O2 P2 -","- C52 H68 Al B Cl8 N8 O2 P2 -","- C208 H272 Al4 B4 Cl32 N32 O8 P8 -","4","1","","Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay","Organoaluminum cations for carbonyl activation","Chemical Communications","2019","","","","","10.1039/C9CC08272G","","","0.71073","MoKα","","0.1256","0.069","","","0.1763","0.2205","","","","","","1.001","","","","has coordinates,has disorder","231099","2020-10-21","18:00:00",""
"7124525","18.379","0.002","12.3001","0.0013","23.496","0.003","90","","109.87","0.004","90","","4995.4","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H104 Al2 B2 Cl16 N4 O5 -","- C100 H104 Al2 B2 Cl16 N4 O5 -","- C200 H208 Al4 B4 Cl32 N8 O10 -","2","0.5","","Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay","Organoaluminum cations for carbonyl activation","Chemical Communications","2019","","","","","10.1039/C9CC08272G","","","0.71073","MoKα","","0.0715","0.0443","","","0.1006","0.1147","","","","","","1.023","","","","has coordinates,has disorder","231099","2020-10-21","18:00:00",""
"7124526","14.079","0.005","17.811","0.006","22.443","0.007","90","","90","","90","","5628","3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H62 Al B Cl8 N2 O2 P2 -","- C52 H62 Al B Cl8 N2 O2 P2 -","- C208 H248 Al4 B4 Cl32 N8 O8 P8 -","4","1","","Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay","Organoaluminum cations for carbonyl activation","Chemical Communications","2019","","","","","10.1039/C9CC08272G","","","0.71073","MoKα","","0.1434","0.0664","","","0.1282","0.1647","","","","","","1.019","","","","has coordinates","231099","2020-10-21","18:00:00",""
"7124527","14.1938","0.0003","9.8306","0.0002","17.9027","0.0003","90","","101.589","0.001","90","","2447.1","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O6 -","- C27 H27 N O6 -","- C108 H108 N4 O24 -","4","1","","Xing, Miaomiao; Wang, Kangnan; Wu, Xiang-Wen; Ma, Shuyue; Cao, Duxia; Guan, Ruifang; Liu, Zhiqiang","A coumarin chalcone ratiometric fluorescent probe for hydrazine based on deprotection, addition and succent cyclization mechanism","Chemical Communications","2019","","","","","10.1039/C9CC08174G","","","1.54178","CuKα","","0.0588","0.049","","","0.1349","0.1448","","","","","","1.043","","","","has coordinates","231100","2020-10-21","18:00:00",""
"7124528","17.6924","0.0011","6.6868","0.0004","15.241","0.0009","90","","90","","90","","1803.09","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21.75 N3 O3 -","- C22 H22 N3 O3 -","- C88 H88 N12 O12 -","4","1","","Xing, Miaomiao; Wang, Kangnan; Wu, Xiang-Wen; Ma, Shuyue; Cao, Duxia; Guan, Ruifang; Liu, Zhiqiang","A coumarin chalcone ratiometric fluorescent probe for hydrazine based on deprotection, addition and succent cyclization mechanism","Chemical Communications","2019","","","","","10.1039/C9CC08174G","","","1.54178","CuKα","","0.1084","0.0991","","","0.2245","0.2303","","","","","","1.036","","","","has coordinates","231100","2020-10-21","18:00:00",""
"7124529","6.0407","0.0003","21.1209","0.0012","27.1076","0.0014","90","","90","","90","","3458.5","0.3","298.9","0.5","298.9","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 N6 O6 -","- C36 H48 N6 O6 -","- C144 H192 N24 O24 -","4","1","","Kielty, Patrick; Farràs, Pau; McArdle, Patrick; Smith, Dennis A.; Aldabbagh, Fawaz","Visible-light unmasking of heterocyclic quinone methide radicals from alkoxyamines","Chemical Communications","2019","","","","","10.1039/C9CC08261A","","","0.71073","MoKα","","0.0942","0.0519","","","0.1002","0.1188","","","","","","1.002","","","","has coordinates","231101","2020-10-21","18:00:00",""
"7124530","13.0387","0.0008","10.1877","0.0006","15.224","0.0009","90","","102.358","0.002","90","","1975.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O2 -","- C26 H19 Cl O2 -","- C104 H76 Cl4 O8 -","4","1","","He, Xinwei; Choy, Pui Ying; Leung, Man Pan; Yuen, On Ying; Liu, Tianyi; Shang, Yongjia; Kwong, Fuk Yee","ZnI2-Catalyzed Regioselective Cascade 1,4-Conjugate Addition/5-exo-dig Annulation Pathway for One-pot Access of Heterobiaryl Frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07054K","","","0.71073","MoKα","","0.0674","0.0498","","","0.1213","0.1318","","","","","","1.07","","","","has coordinates","231182","2020-10-21","18:00:00",""
"7124531","5.6336","0.0003","19.4288","0.001","16.8408","0.0009","90","","94.477","0.002","90","","1837.67","0.17","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","1","","He, Xinwei; Choy, Pui Ying; Leung, Man Pan; Yuen, On Ying; Liu, Tianyi; Shang, Yongjia; Kwong, Fuk Yee","ZnI2-Catalyzed Regioselective Cascade 1,4-Conjugate Addition/5-exo-dig Annulation Pathway for One-pot Access of Heterobiaryl Frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07054K","","","0.71073","MoKα","","0.0649","0.044","","","0.1061","0.1173","","","","","","1.028","","","","has coordinates","231182","2020-10-21","18:00:00",""
"7124532","9.025","0.005","31.019","0.005","15.875","0.005","90","0.005","95.563","0.005","90","0.005","4423","3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 F6 Ir N11 O P -","- C43 H45 F6 Ir N11 O P -","- C172 H180 F24 Ir4 N44 O4 P4 -","4","1","","Yang, Tianzhi; Wang, Yue; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Reversible tricolour luminescence switching based on a piezochromic iridium(iii) complex","Chemical Communications","2019","","","","","10.1039/C9CC08545A","","","0.71069","MoKα","","0.0483","0.0447","","","0.0925","0.0938","","","","","","1.226","","","","has coordinates,has disorder","231183","2020-10-21","18:00:00",""
"7124533","20.025","0.007","12.326","0.004","20.303","0.006","90","","101.211","0.018","90","","4916","3","297","2","297.14","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H43 F6 Ir N11 P -","- C44.5 H43 F6 Ir N11 P -","- C178 H172 F24 Ir4 N44 P4 -","4","1","","Yang, Tianzhi; Wang, Yue; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Reversible tricolour luminescence switching based on a piezochromic iridium(iii) complex","Chemical Communications","2019","","","","","10.1039/C9CC08545A","","","1.54178","CuKα","","0.1112","0.0664","","","0.163","0.1955","","","","","","1.068","","","","has coordinates,has disorder","231183","2020-10-21","18:00:00",""
"7124534","12.5861","0.0012","13.0814","0.0012","32.104","0.003","90","","90","","90","","5285.7","0.9","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H20 Cl Cu3 I2 N3 O6 Sb -","- C19 H20 Cl Cu3 I2 N3 O6 Sb -","- C152 H160 Cl8 Cu24 I16 N24 O48 Sb8 -","8","1","","Lin, Li-Dan; Li, Zhong; Liu, Jin-Hua; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","New type composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters","Chemical Communications","2019","","","","","10.1039/C9CC08443F","","","0.71073","MoKα","","0.0439","0.0342","","","0.0791","0.0842","","","","","","1.009","","","","has coordinates","231184","2020-10-21","18:00:00",""
"7124535","7.582","0.005","29.72","0.02","15.225","0.011","90","","100.104","0.01","90","","3378","4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C104 H160 Cl4 Cu4 N24 O40 Sb4 -","- C104 H160 Cl4 Cu4 N24 O40 Sb4 -","- C104 H160 Cl4 Cu4 N24 O40 Sb4 -","1","0.25","","Lin, Li-Dan; Li, Zhong; Liu, Jin-Hua; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","New type composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters","Chemical Communications","2019","","","","","10.1039/C9CC08443F","","","0.71073","MoKα","","0.0458","0.0409","","","0.1043","0.1069","","","","","","1.009","","","","has coordinates","231184","2020-10-21","18:00:00",""
"7124536","17.557","0.003","26.674","0.004","8.0497","0.0012","90","","109.822","0.003","90","","3546.4","1","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H20 Cu I N2 O6 Sb -","- C18 H20 Cu I N2 O6 Sb -","- C72 H80 Cu4 I4 N8 O24 Sb4 -","4","0.5","","Lin, Li-Dan; Li, Zhong; Liu, Jin-Hua; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","New type composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters","Chemical Communications","2019","","","","","10.1039/C9CC08443F","","","0.71073","MoKα","","0.0777","0.0607","","","0.1586","0.1689","","","","","","1.05","","","","has coordinates","231184","2020-10-21","18:00:00",""
"7124537","16.995","0.002","44.439","0.006","54.864","0.008","90","","90","","90","","41436","10","175","2","175","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C18 H20 Cu2 I2 N2 O6 Sb -","- C18 H20 Cu2 I2 N2 O6 Sb -","- C576 H640 Cu64 I64 N64 O192 Sb32 -","32","1","","Lin, Li-Dan; Li, Zhong; Liu, Jin-Hua; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","New type composite MOFs based on high-valent Sb(V)-based units and cuprous-halide clusters","Chemical Communications","2019","","","","","10.1039/C9CC08443F","","","0.71073","MoKα","","0.1193","0.0983","","","0.2788","0.2976","","","","","","0.995","","","","has coordinates,has disorder","231184","2020-10-21","18:00:00",""
"7124538","10.2696","0.0007","18.4321","0.0013","9.8213","0.0007","90","","97.243","0.003","90","","1844.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B N O3 -","- C20 H24 B N O3 -","- C80 H96 B4 N4 O12 -","4","1","","Rodriguez, Jessica; Adet, Nicolas; Saffon-Merceron, Nathalie; Bourissou, Didier","Au(i)/Au(iii)-Catalyzed C-N coupling.","Chemical communications (Cambridge, England)","2019","56","1","94","97","10.1039/c9cc07666b","","","0.71073","MoKα","","0.0792","0.0501","","","0.1234","0.1401","","","","","","1.048","","","","has coordinates","247576","2020-10-21","18:00:00",""
"7124539","9.8911","0.0012","14.4529","0.0019","17.441","0.002","102.378","0.003","104.982","0.003","109.989","0.003","2133.9","0.5","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C37 H48 Au F6 Li2 N2 O8 P S3 -","- C37 H48 Au F6 Li2 N2 O8 P S3 -","- C74 H96 Au2 F12 Li4 N4 O16 P2 S6 -","2","1","","Rodriguez, Jessica; Adet, Nicolas; Saffon-Merceron, Nathalie; Bourissou, Didier","Au(i)/Au(iii)-Catalyzed C-N coupling.","Chemical communications (Cambridge, England)","2019","56","1","94","97","10.1039/c9cc07666b","","","0.71073","MoKα","","0.0905","0.0482","","","0.0869","0.0998","","","","","","1.027","","","","has coordinates","247576","2020-10-21","18:00:00",""
"7124540","5.43658","0.00014","5.70292","0.00017","25.123","0.0006","90","","93.371","0.002","90","","777.58","0.04","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H18 O2 S2 -","- C16 H18 O2 S2 -","- C32 H36 O4 S4 -","2","1","","Riant, Olivier; Rout, Saroj Kumar; Marghem, Gilles; Lan, Junji; Leyssens, Tom","A Radical Exchange Process: Synthesis of Bicyclo [1.1.1]pentane Derivatives of Xanthates","Chemical Communications","2019","","","","","10.1039/C9CC07610G","","","0.71073","MoKα","","0.0262","0.0253","","","0.068","0.0688","","","","","","1.076","","","","has coordinates","231186","2020-10-21","18:00:00",""
"7124541","18.5665","0.0005","21.0808","0.0006","13.5866","0.0004","90","","103.88","0.0009","90","","5162.5","0.3","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 N O15 S4 -","- C47 H63 N O15 S4 -","- C188 H252 N4 O60 S16 -","4","1","","Landovský, Tomáš; Eigner, Václav; Babor, Martin; Tichotová, Markéta; Dvořáková, Hana; Lhoták, Pavel","Regioselective S<sub>N</sub>Ar reaction of the phenoxathiin-based thiacalixarene as a route to a novel macrocyclic skeleton.","Chemical communications (Cambridge, England)","2019","56","1","78","81","10.1039/c9cc08335a","","","1.5418","CuKα","","0.039","0.0357","","0.0943","0.091","0.0943","","","","","","1.0066","","","","has coordinates,has disorder","247571","2020-10-21","18:00:00",""
"7124542","39.4032","0.0008","10.2963","0.0002","23.4609","0.0005","90","","90","","90","","9518.3","0.3","180","","180","","","","101","","","","","4","P b c n","-P 2n 2ab","60","","","","- C45 H58 O13.08 S4 -","- C45 H58.081 O13.081 S4 -","- C360 H464.648 O104.648 S32 -","8","1","","Landovský, Tomáš; Eigner, Václav; Babor, Martin; Tichotová, Markéta; Dvořáková, Hana; Lhoták, Pavel","Regioselective S<sub>N</sub>Ar reaction of the phenoxathiin-based thiacalixarene as a route to a novel macrocyclic skeleton.","Chemical communications (Cambridge, England)","2019","56","1","78","81","10.1039/c9cc08335a","","","1.54178","CuKα","","0.0465","0.0458","","0.0959","0.0958","0.0959","","","","","","0.9984","","","","has coordinates,has disorder","247571","2020-10-21","18:00:00",""
"7124543","20.25","0.003","21.622","0.003","15.041","0.002","90","","90","","90","","6585.6","1.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C272 H272 N16 O80 S16 -","16","1","","Fan, Huaqiang; Wan, Yi; Pan, Peng; Cai, Wenbin; Liu, Shihui; Liu, Chuanxu; Zhang, Yongqiang","A cascade approach to 3D cyclic carbamates via an ionic decarboxylative functionalization of olefinic oxamic acids.","Chemical communications (Cambridge, England)","2019","56","1","86","89","10.1039/c9cc07709j","","","0.71073","MoKα","","0.0697","0.0468","","","0.0937","0.1023","","","","","","0.99","","","","has coordinates","247569","2020-10-21","18:00:00",""
"7124544","6.3499","0.0004","20.1527","0.0014","9.1657","0.0007","90","","96.921","0.002","90","","1164.37","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Fan, Huaqiang; Wan, Yi; Pan, Peng; Cai, Wenbin; Liu, Shihui; Liu, Chuanxu; Zhang, Yongqiang","A cascade approach to 3D cyclic carbamates via an ionic decarboxylative functionalization of olefinic oxamic acids.","Chemical communications (Cambridge, England)","2019","56","1","86","89","10.1039/c9cc07709j","","","0.71073","MoKα","","0.0696","0.0594","","","0.1137","0.119","","","","","","1.162","","","","has coordinates","247569","2020-10-21","18:00:00",""
"7124545","22.9224","0.0015","15.4103","0.001","28.4878","0.0019","90","","96.414","0.001","90","","10000.1","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H127 Dy N7 O40 P W11 -","- C72 H126 Dy N7 O40 P W11 -","- C288 H504 Dy4 N28 O160 P4 W44 -","4","1","","Cañón-Mancisidor, Walter; Zapata-Lizama, Matias; Hermosilla-Ibáñez, Patricio; Cruz, Carlos; Venegas-Yazigi, Diego; Minguez Espallargas, Guillermo","Hybrid organic-inorganic mononuclear Lanthanoid Single Ion Magnets","Chemical Communications","2019","","","","","10.1039/C9CC07868A","","","0.71073","MoKα","","0.0918","0.0532","","","0.1244","0.1413","","","","","","1.024","","","","has coordinates","232024","2020-10-21","18:00:00",""
"7124546","23.6346","0.0019","15.5653","0.0013","28.567","0.002","90","","97.21","0.001","90","","10426.1","1.4","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H127 Gd N7 O40 P W11 -","- C72 H124 Gd N7 O40 P W11 -","- C288 H496 Gd4 N28 O160 P4 W44 -","4","1","","Cañón-Mancisidor, Walter; Zapata-Lizama, Matias; Hermosilla-Ibáñez, Patricio; Cruz, Carlos; Venegas-Yazigi, Diego; Minguez Espallargas, Guillermo","Hybrid organic-inorganic mononuclear Lanthanoid Single Ion Magnets","Chemical Communications","2019","","","","","10.1039/C9CC07868A","","","0.71073","MoKα","","0.1357","0.0696","","","0.1748","0.215","","","","","","1.014","","","","has coordinates","232024","2020-10-21","18:00:00",""
"7124547","23.51","0.003","15.593","0.002","28.591","0.004","90","","97.187","0.002","90","","10399","2","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H127 Er N7 O40 P W11 -","- C72 H124 Er N7 O40 P W11 -","- C288 H496 Er4 N28 O160 P4 W44 -","4","1","","Cañón-Mancisidor, Walter; Zapata-Lizama, Matias; Hermosilla-Ibáñez, Patricio; Cruz, Carlos; Venegas-Yazigi, Diego; Minguez Espallargas, Guillermo","Hybrid organic-inorganic mononuclear Lanthanoid Single Ion Magnets","Chemical Communications","2019","","","","","10.1039/C9CC07868A","","","0.71073","MoKα","","0.1482","0.0718","","","0.1829","0.2309","","","","","","1.001","","","","has coordinates","232024","2020-10-21","18:00:00",""
"7125354","34.603","0.002","9.5694","0.0006","20.2633","0.0012","90","","120.599","0.002","90","","5775.5","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Fentanyl citrate hydrate","","- C224 H306 N16 O74 -","- C224 H304 N16 O73 -","- C224 H304 N16 O73 -","1","0.125","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0766","0.0516","","","0.1193","0.1329","","","","","","1.018","","","","has coordinates,has disorder","236779","2020-10-21","18:00:00",""
"7125355","17.904","0.0012","9.6858","0.0006","19.3593","0.0013","90","","108.125","0.003","90","","3190.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fentanyl citrate toluene solvate","","- C35 H44 N2 O8 -","- C35 H44 N2 O8 -","- C140 H176 N8 O32 -","4","1","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0648","0.049","","","0.1363","0.1511","","","","","","1.053","","","","has coordinates","236779","2020-10-21","18:00:00",""
"7125356","8.963","0.0005","11.2533","0.0007","14.874","0.0009","109.411","0.002","96.728","0.002","107.486","0.002","1309.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Fentanyl citrate","","- C28 H36 N2 O8 -","- C28 H36 N2 O8 -","- C56 H72 N4 O16 -","2","1","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0514","0.0406","","","0.1017","0.1083","","","","","","1.027","","","","has coordinates","236779","2020-10-21","18:00:00",""
"7125357","11.687","0.002","9.657","0.0019","11.95","0.002","90","","96.8","0.03","90","","1339.2","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N O2 S -","- C12 H11 Cl2 N O2 S -","- C48 H44 Cl8 N4 O8 S4 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","0.71073","MoKα","","0.1062","0.0954","","","0.2761","0.2893","","","","","","1.0563","","","","has coordinates,has disorder","236782","2020-10-21","18:00:00",""
"7125358","7.9156","0.0001","9.8147","0.0002","15.3289","0.0002","90","","90","","90","","1190.89","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","1.54184","CuKα","","0.0315","0.0314","","","0.085","0.0856","","","","","","1.056","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125359","7.583","0.0002","6.1506","0.0001","25.4866","0.0005","90","","95.003","0.002","90","","1184.17","0.04","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","1.54184","CuKα","","0.0453","0.0399","","","0.1009","0.1062","","","","","","1.0693","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125360","7.3625","0.0004","9.5369","0.0004","16.9216","0.0007","90","","94.933","0.004","90","","1183.76","0.1","293.67","0.1","293.67","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N2 O2 S -","- C3 H6 N2 O2 S -","- C24 H48 N16 O16 S8 -","8","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.0882","0.0934","","","","","","1.0733","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125361","14.0809","0.001","12.1296","0.0005","21.4422","0.001","90","","90","","90","","3662.2","0.3","291.37","0.11","291.37","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N2 O6 S -","- C16 H20 N2 O6 S -","- C128 H160 N16 O48 S8 -","8","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0628","0.0474","","","0.1241","0.1385","","","","","","1.0479","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125362","13.051","0.014","18.73","0.02","19.67","0.02","90","","90.889","0.01","90","","4808","9","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C92 H90 N8 O16 -","- C92 H90 N8 O16 -","- C184 H180 N16 O32 -","2","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.71075","MoKα","","0.096","0.0789","","","0.2119","0.227","","","","","","1.089","","","","has coordinates,has disorder","236784","2020-10-21","18:00:00",""
"7125363","33.668","0.002","33.668","0.002","33.668","0.002","90","","90","","90","","38164","4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C96 H92 F12 N8 O28 S4 -","- C96 H92 F12 N8 O28 S4 -","- C1152 H1104 F144 N96 O336 S48 -","12","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.7015","synchrotron","","0.1354","0.1133","","","0.3122","0.3369","","","","","","1.349","","","","has coordinates","236784","2020-10-21","18:00:00",""
"7125364","28.8044","0.0017","13.8129","0.0008","17.8677","0.001","90","","91.37","0.001","90","","7107","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H48.5 Cl3.5 F24 N4 P4 -","- C56 H46 F24 N4 P4 -","- C224 H184 F96 N16 P16 -","4","1","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.1145","0.0998","","","0.2686","0.2799","","","","","","1.082","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125365","39.9","0.011","9.539","0.003","26.857","0.008","90","","90","","90","","10222","5","153","2","153","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C108 H140 F24 N4 O8 P4 -","- C76 H60 F24 N4 P4 -","- C304 H240 F96 N16 P16 -","4","0.25","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.09","0.0729","","","0.2589","0.275","","","","","","1.125","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125366","9.3179","0.0004","12.5656","0.0006","18.0807","0.0008","70.915","0.004","81.783","0.004","85.771","0.004","1979.25","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 Mg N3 O -","- C41 H67 Mg N3 O -","- C82 H134 Mg2 N6 O2 -","2","1","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0925","0.0636","","","0.1507","0.1694","","","","","","1.026","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125367","13.0738","0.0004","14.2398","0.0005","19.0456","0.0006","90","","92.872","0.003","90","","3541.2","0.2","123.4","","123.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H98 Mg2 N10 -","- C77 H98 Mg2 N10 -","- C154 H196 Mg4 N20 -","2","0.5","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0704","0.0497","","","0.1173","0.1297","","","","","","1.019","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125368","18.4812","0.0009","18.3287","0.001","10.6762","0.0005","90","","90.832","0.004","90","","3616","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Mg N3 -","- C41 H51 Mg N3 -","- C164 H204 Mg4 N12 -","4","1","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0742","0.0474","","","0.1093","0.1224","","","","","","1.032","","","","has coordinates","237829","2020-10-21","18:00:00",""
"7125369","19.736","0.0005","20.5218","0.0004","17.9367","0.0004","90","","112.105","0.003","90","","6730.7","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H110 Mg2 N6 -","- C75 H110 Mg2 N6 -","- C300 H440 Mg8 N24 -","4","0.5","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","1.54184","CuKα","","0.0588","0.0503","","","0.134","0.1421","","","","","","1.025","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125370","21.231","0.008","21.328","0.008","20.064","0.007","90","","90","","90","","9085","6","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C56 H96 N4 O20 P4 S4 Zn4 -","- C56 H96 N4 O20 P4 S4 Zn4 -","- C224 H384 N16 O80 P16 S16 Zn16 -","4","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0741","0.0726","","","0.17","0.171","","","","","","1.092","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125371","16.942","0.005","16.942","0.005","15.489","0.005","90","","90","","90","","4446","2","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C15 H24 N O6 P Zn -","- C15 H24 N O6 P Zn -","- C120 H192 N8 O48 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0297","0.0285","","","0.0708","0.0715","","","","","","1.042","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125372","18.2767","0.0004","18.2767","0.0004","30.7812","0.0009","90","","90","","90","","10282.1","0.4","396","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C36 H43 N8 O8 P2 Zn2 -","- C36 H43 N8 O8 P2 Zn2 -","- C288 H344 N64 O64 P16 Zn16 -","8","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.1491","0.0955","","","0.2324","0.2683","","","","","","1.07","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125373","16.7211","0.0002","16.7211","0.0002","15.5352","0.0004","90","","90","","90","","4343.57","0.13","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C14 H24 N O8 P Zn -","- C14 H24 N O8 P Zn -","- C112 H192 N8 O64 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71073","MoKα","","0.0415","0.0393","","","0.1041","0.1067","","","","","","1.08","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125374","18.9546","0.0005","18.9546","0.0005","13.4969","0.0004","90","","90","","90","","4849.1","0.2","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C25 H19 Cu2 O12 -","- C25 H16 Cu2 O12 -","- C100 H64 Cu8 O48 -","4","0.25","","Hu, Falu; Huang, Pan; Di, Zhengyi; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","A robust cage-based framework for the highly selective purification of natural gas.","Chemical communications (Cambridge, England)","2019","55","69","10257","10260","10.1039/c9cc03354h","","","1.54184","CuKα","","0.0831","0.0591","","","0.1609","0.1789","","","","","","0.977","","","","has coordinates","237836","2020-10-21","18:00:00",""
"7125375","9.0479","0.0009","10.7246","0.0011","25.204","0.003","90","","98.105","0.004","90","","2421.2","0.5","193","2","192.98","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50.04 H35.42 F6 Ir N4 O2 P S2 -","- C50.05 H35.7 F6 Ir N4 O2 P S2 -","- C100.1 H71.4 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","1.34139","GaKα","","0.0513","0.0456","","","0.114","0.1188","","","","","","1.025","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125376","11.182","0.0006","15.6943","0.0008","30.695","0.0016","90","","90","","90","","5386.8","0.5","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.076","0.0434","","","0.0971","0.1077","","","","","","0.9142","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125377","11.0991","0.0011","15.4078","0.0016","31.051","0.003","90","","90","","90","","5310.1","0.9","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0697","0.0525","","","0.1385","0.1479","","","","","","1.0186","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125378","9.0612","0.0005","10.7892","0.0006","25.3691","0.0014","90","","97.738","0.001","90","","2457.6","0.2","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H36 F6 Ir N4 O2 P S2 -","- C50 H36 F6 Ir N4 O2 P S2 -","- C100 H72 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0567","0.0435","","","0.094","0.0997","","","","","","0.9963","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125379","8.7656","0.0013","10.8058","0.0015","19.768","0.003","95.71","0.008","99.202","0.008","112.242","0.008","1684.3","0.4","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H16 Cl4 F6 N3 O8 P S2 -","- C29 H16 Cl4 F6 N3 O8 P S2 -","- C58 H32 Cl8 F12 N6 O16 P2 S4 -","2","1","","Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.","P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.","Chemical communications (Cambridge, England)","2019","55","61","8971","8974","10.1039/c9cc04010b","","","0.71073","MoKα","","0.0492","0.0359","","","0.0886","0.0964","","","","","","1.0498","","","","has coordinates","237839","2020-10-21","18:00:00",""
"7125380","10.6663","0.0004","25.7596","0.001","16.1421","0.0007","90","","100.574","0.002","90","","4359.9","0.3","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 F6 N4 O9 P S2 -","- C43 H37 F6 N4 O9 P S2 -","- C172 H148 F24 N16 O36 P4 S8 -","4","1","","Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.","P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.","Chemical communications (Cambridge, England)","2019","55","61","8971","8974","10.1039/c9cc04010b","","","0.71073","MoKα","","0.1131","0.0565","","","0.1249","0.1533","","","","","","1.0891","","","","has coordinates,has disorder","237839","2020-10-21","18:00:00",""
"7125381","9.1082","0.001","9.8312","0.001","9.9666","0.0011","93.655","0.001","98.898","0.001","90.006","0.001","879.88","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl3 Co N4 -","- C14 H16 Cl3 Co N4 -","- C28 H32 Cl6 Co2 N8 -","2","1","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.037","0.0332","","","0.0925","0.0961","","","","","","1.066","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125382","8.6064","0.0012","28.201","0.004","29.216","0.004","90","","90","","90","","7091","1.7","100","","100","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C14 H16 Cl2 N4 Zn -","- C14 H16 Cl2 N4 Zn -","- C224 H256 Cl32 N64 Zn16 -","16","0.5","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0397","0.0299","","","0.0784","0.0842","","","","","","1.07","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125383","9.1131","0.0016","11.477","0.002","18.784","0.003","98.812","0.002","92.127","0.002","91.893","0.002","1938.6","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl4 Fe2 N8 O -","- C28 H32 Cl4 Fe2 N8 O -","- C56 H64 Cl8 Fe4 N16 O2 -","2","1","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0715","0.0588","","","0.1574","0.1645","","","","","","1.058","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125384","17.178","0.005","8.837","0.003","12.505","0.004","90","","112.309","0.003","90","","1756.2","1","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H32 Cl4 N8 Ni2 -","- C28 H32 Cl4 N8 Ni2 -","- C56 H64 Cl8 N16 Ni4 -","2","0.25","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0777","0.0565","","","0.1521","0.1644","","","","","","1.04","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125385","11.9568","0.0007","12.3682","0.0008","14.6936","0.001","109.732","0.006","92.669","0.005","92.147","0.005","2039.9","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H31 Cl3 N2 O4 S -","- C53 H31 Cl3 N2 O4 S -","- C106 H62 Cl6 N4 O8 S2 -","2","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.1232","0.0885","","","0.2358","0.2528","","","","","","1.085","","","","has coordinates","237842","2020-10-21","18:00:00",""
"7125386","20.1536","0.0004","20.1536","0.0004","55.493","0.002","90","","90","","90","","22539.5","1","99.97","0.16","99.97","0.16","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72.89 H33.78 Cl0 F8.89 N3.56 O10.67 -","- C72.8889 H33.7778 F8.88889 N3.55556 O10.6667 -","- C656 H304 F80 N32 O96 -","9","0.5625","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.1782","0.1311","","","0.3318","0.3889","","","","","","1.18","","","","has coordinates","237842","2020-10-21","18:00:00",""
"7125387","12.9539","0.0016","14.4757","0.0018","14.725","0.0018","70.698","0.003","66.001","0.003","67.022","0.003","2273.4","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl0 F0 N4 O -","- C46 H20 Cl3 F11 N2 O8 -","- C92 H40 Cl6 F22 N4 O16 -","2","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","","0.71073","MoKα","","0.0531","0.0478","","","0.1351","0.1395","","","","","","1.058","","","","has coordinates,has disorder","237842","2020-10-21","18:00:00",""
"7125388","19.5016","0.0003","35.2797","0.0007","23.3317","0.0006","90","","90.269","0.002","90","","16052.3","0.6","99.95","0.18","99.95","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H72 Cl12 F20 N8 O16 -","- C168 H72 Cl12 F20 N8 O16 -","- C672 H288 Cl48 F80 N32 O64 -","4","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.177","0.0943","","","0.245","0.3053","","","","","","1.008","","","","has coordinates,has disorder","237842","2020-10-21","18:00:00",""
"7125389","11.4575","0.0001","10.6962","0.0001","27.0458","0.0002","90","","90","","90","","3314.51","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H28 N4 O2 -","- C36 H28 N4 O2 -","- C144 H112 N16 O8 -","4","0.5","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.0431","0.0404","","","0.1154","0.1217","","","","","","1.053","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125390","9.64598","0.00005","27.23322","0.00015","18.74004","0.0001","90","","101.926","0.0005","90","","4816.59","0.05","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O4 -","- C60 H44 N8 O4 -","- C240 H176 N32 O16 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.051","0.0466","","","0.1306","0.1355","","","","","","1.054","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125391","14.9786","0.0004","9.059","0.0002","57.2212","0.0011","90","","94.208","0.002","90","","7743.5","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H48 N8 O4 -","- C80 H48 N8 O4 -","- C320 H192 N32 O16 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54178","CuKα","","0.0968","0.0832","","","0.2327","0.2421","","","","","","1.089","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125392","19.6993","0.0003","13.7805","0.0002","17.3821","0.0003","90","","92.071","0.002","90","","4715.57","0.13","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H32 N8 O6 -","- C54 H32 N8 O6 -","- C216 H128 N32 O24 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","","1.54178","CuKα","","0.0821","0.0644","","","0.1927","0.2088","","","","","","1.069","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125393","11.433","0.0016","14.879","0.002","25.862","0.004","88.484","0.003","84.89","0.003","77.817","0.003","4283.1","1.1","175","2","175","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H108 Cl16 Cu0 Fe15 N14 O34 -","- C84 H108 Cl16 Fe15 N14 O34 -","- C84 H108 Cl16 Fe15 N14 O34 -","1","0.5","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0985","0.0756","","","0.2282","0.2422","","","","","","1","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125394","11.4027","0.0018","54.461","0.008","18.009","0.003","90","","112.514","0.008","90","","10331","3","175","2","175","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl6 Cu Fe7 I N6 O17 -","- C40 H48 Cl6 Cu Fe7 I N6 O17 -","- C160 H192 Cl24 Cu4 Fe28 I4 N24 O68 -","4","1","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.1313","0.0964","","","0.249","0.2619","","","","","","1.009","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125395","22.375","0.002","23.965","0.002","27.502","0.003","90","","90","","90","","14747","2","175","2","175","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C320 H384 Cl48 Cu0 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","1","0.0625","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0423","0.0375","","","0.109","0.1114","","","","","","1.004","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125396","10.3308","0.0002","11.4554","0.0003","23.6689","0.0006","90","","90","","90","","2801.06","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N7 Ni O5 S2 -","- C25 H21 N7 Ni O5 S2 -","- C100 H84 N28 Ni4 O20 S8 -","4","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.0601","0.0486","","","0.1182","0.1348","","","","","","1.058","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125397","8.758","0.004","11.248","0.005","12.524","0.006","65.786","0.006","84.967","0.007","71.813","0.006","1067.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 N9 Ni O4 S2 -","- C13 H15 N9 Ni O4 S2 -","- C26 H30 N18 Ni2 O8 S4 -","2","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.088","0.0606","","","0.1493","0.1635","","","","","","1.05","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125398","32.1592","0.0012","32.1592","0.0012","10.0314","0.0004","90","","90","","90","","10374.6","0.7","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H23 N11 Ni O2 -","- C17 H23 N11 Ni O2 -","- C272 H368 N176 Ni16 O32 -","16","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.1076","0.0641","","","0.1895","0.2088","","","","","","1.026","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125399","32.1098","0.0004","13.472","0.0002","5.7153","0.0001","90","","90","","90","","2472.34","0.06","100","2","100","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C24 H28 N4 O S3 -","- C24 H28 N4 O S3 -","- C96 H112 N16 O4 S12 -","4","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0352","0.0345","","","0.0933","0.0937","","","","","","1.092","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125400","33.788","0.0002","23.8727","0.0001","44.3077","0.0002","90","","90","","90","","35739.1","0.3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58.6667 H61.3333 Cu6 N12 O0.166667 S3 -","- C1408 H1472 Cu144 N288 O4 S72 -","24","1.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0806","0.0703","","","0.1881","0.2023","","","","","","1.018","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125401","33.7716","0.0002","71.5841","0.0003","44.3018","0.0002","90","","90","","90","","107100","0.9","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58 H60 Cu6 N12 S3 -","- C4176 H4320 Cu432 N864 S216 -","72","4.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.2064","0.15","","","0.4155","0.4645","","","","","","3.001","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125402","22.724","0.008","22.724","0.008","16.435","0.007","90","","90","","90","","8487","6","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C128 H156 Cl12 N24 Ni6 O24 Si8 -","- C128 H120 Cl12 N24 Ni6 O18 Si8 -","- C256 H240 Cl24 N48 Ni12 O36 Si16 -","2","0.25","","Kumar, Kilaparthi Sravan; Mane, Vishwanath S.; Yadav, Ashok; Kumbhar, Avinash S.; Boomishankar, Ramamoorthy","Photochemical hydrogen evolution from water by a 1D-network of octahedral Ni<sub>6</sub>L<sub>8</sub> cages.","Chemical communications (Cambridge, England)","2019","55","87","13156","13159","10.1039/c9cc06286f","","","0.71073","MoKα","","0.1745","0.088","","","0.2341","0.2959","","","","","","1.033","","","","has coordinates,has disorder","237855","2020-10-21","18:00:00",""
"7125403","11.6694","0.0003","10.1505","0.0003","17.4217","0.0005","90","","96.448","0.003","90","","2050.55","0.1","110.15","0.1","110.15","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-oxaphosphinine 2-oxide","rel-(R,R,R)-2-ethoxy-3-(4-bromophenyl)-4,6-diphenyl-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C24 H22 Br O3 P -","- C24 H22 Br O3 P -","- C96 H88 Br4 O12 P4 -","4","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0448","0.0343","","","0.068","0.0723","","","","","","1.032","","","","has coordinates","237857","2020-10-21","18:00:00",""
"7125404","17.8304","0.0014","17.8304","0.0014","36.593","0.017","90","","90","","120","","10075","5","108.05","0.1","108.05","0.1","","","","","","","","5","R -3 :H","-R 3","148","1,2-oxaphosphinine 2-oxide","rel-(2R,3S,4R)-2-ethoxy-4,6-diphenyl-3-(4-(trifluoromethyl)phenyl)-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C25 H22 F3 O3 P -","- C25 H22 F3 O3 P -","- C450 H396 F54 O54 P18 -","18","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0702","0.0494","","","0.0996","0.1102","","","","","","1.03","","","","has coordinates,has disorder","237857","2020-10-21","18:00:00",""
"7125405","9.3032","0.0004","11.5641","0.0004","12.6329","0.0006","111.392","0.004","106.122","0.004","101.324","0.003","1146.41","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H27 Cl2 N2 O4 P Pt -","- C19 H27 Cl2 N2 O4 P Pt -","- C38 H54 Cl4 N4 O8 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0341","0.0287","","","0.0552","0.0579","","","","","","1.018","","","","has coordinates,has disorder","237859","2020-10-21","18:00:00",""
"7125406","9.6106","0.0012","20.423","0.003","10.6731","0.0013","90","","96.686","0.002","90","","2080.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N2 O3 P Pt -","- C16 H18 Cl3 N2 O3 P Pt -","- C64 H72 Cl12 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0384","0.0274","","","0.0748","0.0877","","","","","","1.096","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125407","9.22386","0.00014","13.26158","0.00018","18.9212","0.0003","90","","102.596","0.0015","90","","2258.79","0.06","293","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl2 N2 O4 P Pt -","- C18 H25 Cl2 N2 O4 P Pt -","- C72 H100 Cl8 N8 O16 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.1241","0.1175","","","0.2747","0.2803","","","","","","1.0348","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125408","8.366","0.003","11.425","0.004","14.15","0.005","95.168","0.006","106.359","0.006","106.779","0.006","1220.7","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Cl4 N2 O3 P Pt -","- C18 H23 Cl4 N2 O3 P Pt -","- C36 H46 Cl8 N4 O6 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.1098","0.1012","","","0.2943","0.3041","","","","","","1.313","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125409","8.7652","0.0003","14.5838","0.0006","19.6786","0.001","90","","116.45","0.002","90","","2252.2","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl3 N2 O3 P Pt -","- C17 H22 Cl3 N2 O3 P Pt -","- C68 H88 Cl12 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.1147","0.0898","","","0.2661","0.3076","","","","","","1.139","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125410","8.5496","0.001","11.5478","0.0014","12.5966","0.0015","83.444","0.002","85.19","0.002","71.014","0.002","1166.9","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cl3 N2 O4 P Pt -","- C19 H26 Cl3 N2 O4 P Pt -","- C38 H52 Cl6 N4 O8 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0282","0.026","","","0.071","0.0724","","","","","","1.08","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125411","12.064","0.002","16.098","0.003","22.941","0.004","90","","90","","90","","4455.3","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl3 N2 O4 P Pt -","- C17 H22 Cl3 N2 O4 P Pt -","- C136 H176 Cl24 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0394","0.0249","","","0.0503","0.0553","","","","","","1.048","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125412","8.141","0.0012","17.253","0.003","16.187","0.003","90","","104.267","0.002","90","","2203.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl4 N2 O3 P Pt -","- C16 H19 Cl4 N2 O3 P Pt -","- C64 H76 Cl16 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0387","0.0242","","","0.0495","0.0549","","","","","","1.016","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125413","10.0411","0.0005","14.3523","0.0008","29.091","0.002","90","","90","","90","","4192.4","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl2 N2 O4 P Pt -","- C17 H23 Cl2 N2 O4 P Pt -","- C136 H184 Cl16 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0922","0.0787","","","0.182","0.1969","","","","","","1.049","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125414","14.5333","0.000016","14.5333","0.000016","7.83602","0.000013","90","","90","","90","","1655.1","0.004","150","","150","","","","","","","","synthesized","4","P 42/n :2","-P 4bc","86","","","","- C33 H44 N8 O4 -","- C33 H44 N8 O4 -","- C66 H88 N16 O8 -","2","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","","1.54184","CuKα","","0.0511","0.0499","","0.1348","0.1326","0.1348","","","","","","1.0161","","","","has coordinates","237861","2020-10-21","18:00:00",""
"7125415","13.38177","0.00008","13.38177","0.00008","21.7501","0.00018","90","","90","","90","","3894.83","0.05","150","0.1","150","","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C33 H36 N8 O15 -","- C33 H36 N8 O15 -","- C132 H144 N32 O60 -","4","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","x-ray","1.54184","CuKα","","0.0845","0.081","","","0.2398","0.2466","","","","","","1.079","","","","has coordinates,has disorder","237861","2020-10-21","18:00:00",""
"7125416","27.9512","0.0008","32.0897","0.0008","25.2538","0.0006","90","","90","","90","","22651.3","1","101","2","101","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C78 H42 N4 O16 Zn3 -","- C78 H42 N4 O16 Zn3 -","- C624 H336 N32 O128 Zn24 -","8","1","","Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min","A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.","Chemical communications (Cambridge, England)","2019","55","84","12671","12674","10.1039/c9cc06739f","","","0.71076","MoKα","","0.1192","0.0567","","","0.1376","0.15","","","","","","1.011","","","","has coordinates","237863","2020-10-21","18:00:00",""
"7125417","31.8382","0.0004","28.3102","0.0003","19.3354","0.0003","90","","90","","90","","17427.9","0.4","200","0.1","200","0.1","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C66 H40 N2 O12 Zn3 -","- C66 H40 N2 O12 Zn3 -","- C528 H320 N16 O96 Zn24 -","8","1","","Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min","A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.","Chemical communications (Cambridge, England)","2019","55","84","12671","12674","10.1039/c9cc06739f","","x-ray","1.54184","CuKα","","0.139","0.1247","","","0.45","0.47","","","","","","1.037","","","","has coordinates","237863","2020-10-21","18:00:00",""
"7125418","9.9221","0.0005","9.9221","0.0005","16.2619","0.0008","90","","90","","90","","1600.95","0.14","153","","153","","","","","","","","","4","P 4","P 4","75","","","","- C30 H38 B10 N2 -","- C30 H38 B10 N2 -","- C60 H76 B20 N4 -","2","0.5","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0668","0.0667","","","0.2079","0.208","","","","","","1.143","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125419","13.5625","0.0006","14.0717","0.0006","27.7111","0.0011","100.471","0.001","99.975","0.001","95.016","0.001","5083.2","0.4","153","","153.01","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 B10 -","- C6.5 H7 B2.5 -","- C52 H56 B20 -","8","4","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0426","0.0412","","","0.1029","0.1041","","","","","","1.04","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125420","20.3497","0.0007","11.0447","0.0003","28.6138","0.0009","90","","110.692","0.002","90","","6016.3","0.3","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 B40 O8 -","- C104 H112 B40 O8 -","- C208 H224 B80 O16 -","2","0.5","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.34139","GaKα","","0.29","0.2351","","","0.5474","0.5766","","","","","","2.211","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125421","11.4542","0.0004","14.4867","0.0005","17.2981","0.0006","90","","94.005","0.001","90","","2863.33","0.17","153","","152.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B10 O2 -","- C28 H32 B10 O2 -","- C112 H128 B40 O8 -","4","1","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0431","0.0407","","","0.1054","0.1077","","","","","","1.0536","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125422","10.7797","0.0002","8.0018","0.0002","25.0126","0.0006","90","","94.381","0.001","90","","2151.21","0.08","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 I N2 O2 -","- C24 H23 I N2 O2 -","- C96 H92 I4 N8 O8 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","","0.71073","MoKα","","0.0732","0.0393","","","0.0725","0.0827","","","","","","1.018","","","","has coordinates","237867","2020-10-21","18:00:00",""
"7125423","11.7674","0.001","5.8992","0.0005","17.3999","0.0015","90","","96.609","0.008","90","","1199.84","0.18","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","","1.54184","CuKα","","0.1092","0.0967","","","0.2119","0.2219","","","","","","1.0188","","","","has coordinates","237867","2020-10-21","18:00:00",""
"7125424","16.3679","0.00012","7.39194","0.00005","19.97192","0.00013","90","","104.187","0.0007","90","","2342.72","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N3 O4 -","- C26 H22 Cl N3 O4 -","- C104 H88 Cl4 N12 O16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","x-ray","1.54184","CuKα","","0.0667","0.0649","","","0.224","0.2271","","","","","","1.0415","","","","has coordinates","237867","2020-10-21","18:00:00",""
"7125425","11.0348","0.0019","9.2759","0.0017","14.386","0.003","90","","97.876","0.005","90","","1458.6","0.5","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 1","","","- C15 H11 N2 O7 Tb -","- C15 H11 N2 O7 Tb -","- C60 H44 N8 O28 Tb4 -","4","1","","Wang, Xia; Wang, Yaxing; Wang, Yanlong; Liu, Hanzhou; Zhang, Yugang; Liu, Wei; Wang, Xiangxiang; Wang, Shuao","Color-tunable X-ray scintillation based on a series of isotypic lanthanide-organic frameworks.","Chemical communications (Cambridge, England)","2019","56","2","233","236","10.1039/c9cc08114c","","","0.71073","MoKα","","0.0272","0.0206","","","0.0512","0.0537","","","","","","1.033","","","","has coordinates","247596","2020-10-21","18:00:00",""
"7125426","8.867","0.0018","12.232","0.002","15.032","0.003","90","","90","","90","","1630.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl2 N O2 Pt S -","- C15 H15 Cl2 N O2 Pt S -","- C60 H60 Cl8 N4 O8 Pt4 S4 -","4","1","","Yuan, Caixia; Wang, Weirong; Wang, Jianwei; Li, Xinhua; Wu, Yan-Bo; Li, Shaodong; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi","Potent and selective PTP1B inhibition by a platinum(ii) complex: possible implications for a new antitumor strategy.","Chemical communications (Cambridge, England)","2019","56","1","102","105","10.1039/c9cc06972k","","","0.72","synchrotron","","0.0521","0.0521","","","0.1412","0.1412","","","","","","1.113","","","","has coordinates","247572","2020-10-21","18:00:00",""
"7125431","8.4379","0.0002","10.5541","0.0003","22.3081","0.0006","90","","90","","90","","1986.64","0.09","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","","Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu","Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter.","Chemical communications (Cambridge, England)","2019","56","1","98","101","10.1039/c9cc08000g","","","1.54178","CuKα","","0.0405","0.0398","","","0.1107","0.1115","","","","","","1.071","","","","has coordinates","247573","2020-10-21","18:00:00",""
"7125432","12.1314","0.0004","10.4464","0.0004","15.7145","0.0006","90","","95.952","0.002","90","","1980.75","0.13","150","2","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C76 H112 N16 O16 -","4","2","","Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu","Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter.","Chemical communications (Cambridge, England)","2019","56","1","98","101","10.1039/c9cc08000g","","","1.54178","CuKα","","0.0625","0.0538","","","0.1273","0.1339","","","","","","1.051","","","","has coordinates","247573","2020-10-21","18:00:00",""
"7125433","15.3086","0.0006","9.8592","0.0004","17.7914","0.0007","90","","96.715","0.004","90","","2666.85","0.18","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B N8 O2 W -","- C25 H29 B N8 O2 W -","- C100 H116 B4 N32 O8 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","0.71073","MoKα","","0.0538","0.0455","","","0.0833","0.0865","","","","","","1.163","","","","has coordinates","243756","2020-10-21","18:00:00",""
"7125434","15.8519","0.0008","24.1231","0.0013","14.0794","0.0007","90","","90","","90","","5383.9","0.5","150","0.1","150","0.1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C43 H54 B3 Cl4 F4 N13 O5 W2 -","- C43 H52 B3 Cl4 F4 N13 O5 W2 -","- C172 H208 B12 Cl16 F16 N52 O20 W8 -","4","0.5","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","0.71073","MoKα","","0.063","0.0401","","","0.0825","0.0917","","","","","","1.021","","","","has coordinates,has disorder","243756","2020-10-21","18:00:00",""
"7125435","12.7628","0.0002","40.553","0.0005","11.3383","0.0001","90","","91.898","0.001","90","","5865.14","0.13","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 Au2 B2 Cl2 N14 O4 W2 -","- C43 H50 Au2 B2 Cl2 N14 O4 W2 -","- C172 H200 Au8 B8 Cl8 N56 O16 W8 -","4","1","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","1.54184","CuKα","","0.0655","0.0634","","","0.1353","0.1363","","","","","","1.18","","","","has coordinates","243756","2020-10-21","18:00:00",""
"7125436","33.2746","0.0005","13.8436","0.0002","14.0874","0.0002","90","","98.529","0.001","90","","6417.46","0.16","150","0.1","150","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 B F3 N7 O5 S W -","- C25 H29 B F3 N7 O5 S W -","- C200 H232 B8 F24 N56 O40 S8 W8 -","8","1","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","1.54184","CuKα","","0.0301","0.025","","","0.059","0.0613","","","","","","1.016","","","","has coordinates,has disorder","243756","2020-10-21","18:00:00",""
"7125437","13.6197","0.0004","18.3015","0.0008","26.901","0.0009","88.518","0.003","76.527","0.003","70.518","0.003","6137.7","0.4","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C45.5 H52.5 B2 Cl7.5 F3 N13 O7 S W2 -","- C45.5 H52.5 B2 Cl7.5 F3 N13 O7 S W2 -","- C182 H210 B8 Cl30 F12 N52 O28 S4 W8 -","4","2","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","1.54184","CuKα","","0.0844","0.0697","","","0.1827","0.1943","","","","","","1.082","","","","has coordinates","243756","2020-10-21","18:00:00",""
"7125438","15.8904","0.0003","9.6054","0.0002","17.1964","0.0003","90","","90","","90","","2624.75","0.09","150","0.1","150","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C23 H26 Au B Cl N7 O2 W -","- C23 H26 Au B Cl N7 O2 W -","- C92 H104 Au4 B4 Cl4 N28 O8 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","1.54184","CuKα","","0.0391","0.0383","","","0.0971","0.0984","","","","","","1.085","","","","has coordinates","243756","2020-10-21","18:00:00",""
"7125439","10.6485","0.0004","21.1039","0.0009","13.1797","0.0005","90","","91.758","0.004","90","","2960.4","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 B Cl2 N7 O2 Pt W -","- C25 H30 B Cl2 N7 O2 Pt W -","- C100 H120 B4 Cl8 N28 O8 Pt4 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","0.71073","MoKα","","0.0533","0.0416","","","0.0834","0.0892","","","","","","1.064","","","","has coordinates","243756","2020-10-21","18:00:00",""
"7125440","9.0268","0.0007","12.5394","0.0011","12.5931","0.0007","72.488","0.006","70.192","0.006","87.16","0.007","1276.75","0.18","","","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","2","","Lu, Xiao-Yu; Yan, Lu-Yu; Li, Jin-Song; Li, Jia-Mei; Zhou, Hai-Pin; Jiang, Run-Chuang; Liu, Chuang-Chuang; Lu, Ran; Hu, Rong","Base-free Ni-catalyzed Suzuki-type cross-coupling reactions of epoxides with boronic acids.","Chemical communications (Cambridge, England)","2019","56","1","109","112","10.1039/c9cc08079a","","","1.54184","CuKα","","0.0834","0.0737","","","0.2222","0.2357","","","","","","1.04","","","","has coordinates","247564","2020-10-21","18:00:00",""
"7125453","5.208536","","9.023652","","6.027403","","90","","106.64","","90","","271.424","","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Cu3LiRu2O6","- Cu3 Li O6 Ru2 -","- Cu3 Li O6 Ru2 -","- Cu6 Li2 O12 Ru4 -","2","0.25","","Huang, Bin; Liu, Ziyi; Han, Yifeng; Zhao, Shuang; Wu, Meixia; Frank, Corey E.; Greenblatt, Martha; Croft, Mark; Quackenbush, Nicholas F.; Liu, Sizhan; Tyson, Trevor A.; Zhang, Lei; Sun, Junliang; Shan, Pengfei; Dai, Jianhong; Yu, Xiaohui; Cheng, Jinguang; Li, Man-Rong","Nonmetallic metal toward a pressure-induced bad-metal state in two-dimensional Cu<sub>3</sub>LiRu<sub>2</sub>O<sub>6</sub>.","Chemical communications (Cambridge, England)","2019","56","2","265","268","10.1039/c9cc06691h","","","0.69004","synchrotron","","","0.1302","","","","0.1338","","","","","","1.059","","","","has coordinates","247594","2020-10-21","18:00:00",""
"7125459","15.548","0.005","24.427","0.007","8.266","0.002","90","","91.708","0.005","90","","3138","1.6","293","2","293","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br F N2 O3 -","- C15 H12 Br F N2 O3 -","- C120 H96 Br8 F8 N16 O24 -","8","2","","Zaheer, Mohd Khalid; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Metal-free α-arylation of α-fluoro-α-nitroacetamides employing diaryliodonium salts.","Chemical communications (Cambridge, England)","2019","56","1","153","156","10.1039/c9cc07859b","","","0.71075","MoKα","","0.1289","0.0562","","","0.1153","0.1405","","","","","","1.004","","","","has coordinates","247566","2020-10-21","18:00:00",""
"7125615","18.355","0.003","18.334","0.003","42.496","0.006","90","","90","","90","","14301","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H46 Cu F6 N2 Sb -","- C31.1111 H40.8889 Cu0.888889 F5.33333 N1.77778 Sb0.888889 -","- C560 H736 Cu16 F96 N32 Sb16 -","18","2.25","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.1107","0.0479","","","0.0681","0.0848","","","","","","1.039","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125616","24.087","0.002","9.1915","0.0009","19.165","0.003","90","","124.966","0.002","90","","3477.1","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H44 Cu F6 N2 Sb -","- C34 H44 Cu F6 N2 Sb -","- C136 H176 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.084","0.0449","","","0.0735","0.086","","","","","","1.003","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125617","11.762","0.006","14.725","0.007","21.3","0.009","90","","90","","90","","3689","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 Cu F6 N3 Sb Si3 -","- C28 H49 Cu F6 N3 Sb Si3 -","- C112 H196 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.0748","0.0442","","","0.0931","0.1065","","","","","","1.049","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125618","13.623","0.005","14.768","0.005","20.118","0.007","90","","90","","90","","4047","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H50 Cu F6 N4 Sb -","- C38 H50 Cu F6 N4 Sb -","- C152 H200 Cu4 F24 N16 Sb4 -","4","0.5","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.0787","0.0394","","","0.0588","0.0712","","","","","","1.001","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125619","9.226","0.007","11.541","0.009","18.052","0.014","90","","98.414","0.018","90","","1901","3","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C29 H51 Cu F6 N3 Sb Si3 -","- C29 H51 Cu F6 N3 Sb Si3 -","- C58 H102 Cu2 F12 N6 Sb2 Si6 -","2","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.2138","0.0841","","","0.1605","0.2103","","","","","","1.012","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125620","21.51","0.007","12.624","0.004","21.59","0.007","90","","96.299","0.009","90","","5827","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H79 Cl2 Cu F6 N5 Sb Si3 -","- C49 H79 Cl2 Cu F6 N5 Sb Si3 -","- C196 H316 Cl8 Cu4 F24 N20 Sb4 Si12 -","4","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.0745","0.0531","","","0.1267","0.1449","","","","","","1.047","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125621","10.2767","0.0011","7.5626","0.0008","9.6783","0.001","90","","102.057","0.002","90","","735.59","0.13","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 K N5 O5 -","- C3 H2 K N5 O5 -","- C12 H8 K4 N20 O20 -","4","1","","Liu, Tianlin; Liao, Sicheng; Song, Siwei; Wang, Kangcai; Jin, Yunhe; Zhang, Qinghua","Combination of gem-dinitromethyl functionality and a 5-amino-1,3,4-oxadiazole framework for zwitterionic energetic materials.","Chemical communications (Cambridge, England)","2019","56","2","209","212","10.1039/c9cc08182h","","","0.71073","MoKα","","0.03","0.0279","","","0.1117","0.1151","","","","","","1.0023","","","","has coordinates","247595","2020-10-21","18:00:00",""
"7125622","10.165","0.0012","7.8116","0.0009","9.9589","0.0012","90","","102.907","0.002","90","","770.81","0.16","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C12 H24 N24 O20 -","4","1","","Liu, Tianlin; Liao, Sicheng; Song, Siwei; Wang, Kangcai; Jin, Yunhe; Zhang, Qinghua","Combination of gem-dinitromethyl functionality and a 5-amino-1,3,4-oxadiazole framework for zwitterionic energetic materials.","Chemical communications (Cambridge, England)","2019","56","2","209","212","10.1039/c9cc08182h","","","0.71073","MoKα","","0.0569","0.0426","","","0.1156","0.1233","","","","","","1.06","","","","has coordinates","247595","2020-10-21","18:00:00",""
"7125623","8.2688","0.001","6.1121","0.0007","13.2779","0.0017","90","","90","","90","","671.06","0.14","173","","173","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 H3 N5 O5 -","- C3 H3 N5 O5 -","- C12 H12 N20 O20 -","4","1","","Liu, Tianlin; Liao, Sicheng; Song, Siwei; Wang, Kangcai; Jin, Yunhe; Zhang, Qinghua","Combination of gem-dinitromethyl functionality and a 5-amino-1,3,4-oxadiazole framework for zwitterionic energetic materials.","Chemical communications (Cambridge, England)","2019","56","2","209","212","10.1039/c9cc08182h","","","0.71073","MoKα","","0.0309","0.0292","","","0.0765","0.0779","","","","","","1.105","","","","has coordinates","247595","2020-10-21","18:00:00",""
"7125624","18.33","0.003","6.1101","0.0008","13.6007","0.0018","90","","107.342","0.002","90","","1454","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 N6 O5 -","- C3 H4 N6 O5 -","- C24 H32 N48 O40 -","8","2","","Liu, Tianlin; Liao, Sicheng; Song, Siwei; Wang, Kangcai; Jin, Yunhe; Zhang, Qinghua","Combination of gem-dinitromethyl functionality and a 5-amino-1,3,4-oxadiazole framework for zwitterionic energetic materials.","Chemical communications (Cambridge, England)","2019","56","2","209","212","10.1039/c9cc08182h","","","0.71073","MoKα","","0.0466","0.0377","","","0.1038","0.1098","","","","","","1.053","","","","has coordinates","247595","2020-10-21","18:00:00",""
"7125631","11.116","0.0007","14.9218","0.001","15.4714","0.001","90","","100.85","0.003","90","","2520.4","0.3","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C66 H50 N8 -","- C66 H50 N8 -","- C132 H100 N16 -","2","1","","Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo","Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution","Chemical Communications","2019","","","","","10.1039/C9CC08679J","","","1.54178","CuKα","","0.0594","0.0419","","","0.1004","0.123","","","","","","1.073","","","","has coordinates","244816","2020-10-21","18:00:00",""
"7125632","13.6124","0.0001","11.8701","0.0001","24.4095","0.0002","90","","91.63","0.001","90","","3942.5","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 N2 O4 S2 -","- C49 H42 N2 O4 S2 -","- C196 H168 N8 O16 S8 -","4","1","","Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo","Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution","Chemical Communications","2019","","","","","10.1039/C9CC08679J","","x-ray","1.54184","CuKα","","0.0415","0.0357","","","0.0898","0.0941","","","","","","1.055","","","","has coordinates","244816","2020-10-21","18:00:00",""
"7125633","30.621","0.003","9.4757","0.0008","13.0926","0.0012","90","","90","","90","","3798.9","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 N2 O4 S2 -","- C48 H40 N2 O4 S2 -","- C192 H160 N8 O16 S8 -","4","1","","Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo","Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution","Chemical Communications","2019","","","","","10.1039/C9CC08679J","","","0.71073","MoKα","","0.108","0.0822","","","0.2042","0.2283","","","","","","1.044","","","","has coordinates","244816","2020-10-21","18:00:00",""
"7125643","35.192","0.002","32.9021","0.0018","3.782","0.0002","90","","92.815","0.002","90","","4373.9","0.4","273","2","273.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C60 H34 O8 -","- C60 H34 O8 -","- C120 H68 O16 -","2","0.25","","Wang, Bin; Lv, Xiu-Liang; Lv, Jie; Ma, Li; Lin, Rui-Biao; Cui, Hui; Zhang, Jian; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin","A novel mesoporous hydrogen-bonded organic framework with high porosity and stability.","Chemical communications (Cambridge, England)","2019","56","1","66","69","10.1039/c9cc07802a","","","0.7288","synchrotron","","0.1581","0.1458","","","0.3867","0.4128","","","","","","1.243","","","","has coordinates,has disorder","247574","2020-10-21","18:00:00",""
"7125733","15.086","0.011","21.938","0.016","10.094","0.008","90","","93.185","0.01","90","","3336","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F2 N -","- C22 H15 F2 N -","- C176 H120 F16 N8 -","8","2","","Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen","Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation.","Chemical communications (Cambridge, England)","2019","55","27","3927","3930","10.1039/c9cc00984a","","","0.71073","MoKα","","0.1093","0.0652","","","0.1835","0.2228","","","","","","1.052","","","","has coordinates","246587","2020-10-21","18:00:00",""
"7125734","7.552","0.005","6.143","0.004","31.83","0.02","90","","94.706","0.008","90","","1471.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C72 H56 F8 N8 O4 -","4","1","","Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen","Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation.","Chemical communications (Cambridge, England)","2019","55","27","3927","3930","10.1039/c9cc00984a","","","0.71073","MoKα","","0.0406","0.033","","","0.0832","0.0889","","","","","","1.044","","","","has coordinates","246587","2020-10-21","18:00:00",""
"7125735","7.6379","0.0008","13.856","0.0015","15.3484","0.0016","84.804","0.004","85.101","0.004","74.968","0.003","1559.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 N12 O8 S4 -","- C68 H60 N12 O8 S4 -","- C68 H60 N12 O8 S4 -","1","0.5","","Chen, Wenqiang; Fu, Li; Chen, Chunfei; Xiao, Junan; Li, Wenxiu; Zhang, Liangliang; Xiao, Qi; Huang, Chusheng; Sheng, Jiarong; Song, Xiangzhi","Unexpected reaction patterns enable simultaneous differentiation of H<sub>2</sub>S, H<sub>2</sub>S<sub>n</sub> and biothiols.","Chemical communications (Cambridge, England)","2019","55","56","8130","8133","10.1039/c9cc03054a","","","0.71076","MoKα","","0.2052","0.0724","","","0.1305","0.1657","","","","","","1.006","","","","has coordinates","246588","2020-10-21","18:00:00",""
"7125736","23.5105","0.0004","23.5105","0.0004","40.205","0.003","90","","90","","90","","22223.1","1.7","99.99","0.16","99.99","0.16","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","3D-T4-SnOS","","- C48 H133 N9 O23 S32 Sn20 -","- O10 S32 Sn20 -","- O80 S256 Sn160 -","8","0.25","","Huang, Shan-Lin; He, Liang; Chen, Er-Xia; Lai, Heng-Dong; Zhang, Jian; Lin, Qipu","A wide pH-range stable crystalline framework based on the largest tin-oxysulfide cluster [Sn<sub>20</sub>O<sub>10</sub>S<sub>34</sub>].","Chemical communications (Cambridge, England)","2019","55","74","11083","11086","10.1039/c9cc05736f","","","1.54178","CuKα","","0.0539","0.041","","","0.1077","0.1173","","","","","","1.012","","","","has coordinates","246589","2020-10-21","18:00:00",""
"7125737","50.346","0.015","16.533","0.005","29.033","0.008","90","","112.241","0.009","90","","22368","11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H104 N4 S4 -","- C112 H104 N4 S4 -","- C896 H832 N32 S32 -","8","1","","Ambhore, Madan D.; Basavarajappa, Ashokkumar; Anand, Venkataramanarao G.","A wide-range of redox states of core-modified expanded porphyrinoids.","Chemical communications (Cambridge, England)","2019","55","47","6763","6766","10.1039/c9cc02326g","","","0.71073","MoKα","","0.1091","0.0692","","","0.1853","0.2017","","","","","","1.105","","","","has coordinates","246590","2020-10-21","18:00:00",""
"7125738","10.1189","0.001","20.238","0.002","22.11","0.003","64.047","0.003","88.647","0.003","82.635","0.003","4034.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H59 B20 I18 K N5 O7.5 -","- C18 H58.9992 B20 I18 K N5 O7.5 -","- C36 H117.998 B40 I36 K2 N10 O15 -","2","1","","El Anwar, Suzan; Assaf, Khaleel I.; Begaj, Barbara; Samsonov, Maksim A.; RůŽičková, Zdeňka; Holub, Josef; Bavol, Dmytro; Nau, Werner M.; Gabel, Detlef; Grűner, Bohumír","Versatile, one-pot introduction of nonahalogenated 2-ammonio-decaborate ions as boron cluster scaffolds into organic molecules; host-guest complexation with γ-cyclodextrin.","Chemical communications (Cambridge, England)","2019","55","91","13669","13672","10.1039/c9cc07678f","","","0.71073","MoKα","","0.0607","0.0425","","","0.0973","0.1041","","","","","","1.028","","","","has coordinates,has disorder","246591","2020-10-21","18:00:00",""
"7125739","20.9188","0.0007","11.2773","0.0004","8.3717","0.0003","90","","98.639","0.003","90","","1952.54","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Liu, Gengxin; Yu, Sifan; Hu, Wenhao; Qiu, Huang","A gold(i)-catalysed three-component reaction via trapping oxonium ylides with allenamides.","Chemical communications (Cambridge, England)","2019","55","84","12675","12678","10.1039/c9cc06599g","","x-ray","1.54184","CuKα","","0.0472","0.0398","","","0.1031","0.1087","","","","","","1.032","","","","has coordinates","246592","2020-10-21","18:00:00",""
"7125740","13.82","0.0007","11.3092","0.0004","16.8646","0.0008","90","","104.92","0.004","90","","2547","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N4 -","- C13 H15 Cl N4 -","- C104 H120 Cl8 N32 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0894","0.0575","","","0.1383","0.1759","","","","","","1.093","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125741","12.1903","0.0007","13.3007","0.0008","8.4206","0.0005","90","","102.568","0.005","90","","1332.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1087","0.1028","","","0.2527","0.2665","","","","","","1.18","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125742","5.744","0.0004","14.7496","0.0013","12.563","0.0008","90","","99.892","0.005","90","","1048.54","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 S -","- C11 H10 N4 S -","- C44 H40 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0438","0.0344","","","0.088","0.0919","","","","","","1.033","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125743","10.9377","0.0004","16.6444","0.0007","16.3724","0.0006","90","","92.771","0.003","90","","2977.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 B N4 -","- C38 H37 B N4 -","- C152 H148 B4 N16 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0397","0.0335","","","0.0782","0.0817","","","","","","1.02","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125744","17.423","0.002","11.8598","0.001","6.6646","0.0005","90","","90","","90","","1377.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C56 H64 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1375","0.1166","","","0.2577","0.272","","","","","","1.11","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125745","7.116","0.0005","7.0723","0.0004","14.8576","0.001","77.256","0.005","77.551","0.005","63.341","0.005","645.92","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 Se -","- C13 H14 N4 Se -","- C26 H28 N8 Se2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0338","0.0293","","","0.0723","0.0753","","","","","","1.038","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125746","10.2454","0.0012","17.3799","0.0019","14.473","0.002","90","","98.817","0.011","90","","2546.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 -","- C14 H16 N4 -","- C112 H128 N32 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.079","0.0472","","","0.1079","0.1264","","","","","","1.017","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125747","23.5797","0.0004","35.6568","0.0009","29.9355","0.0007","90","","90","","90","","25169.1","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H62 Cl2 N8 P2 Ru -","- C64 H62 Cl2 N8 P2 Ru -","- C1024 H992 Cl32 N128 P32 Ru16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1465","0.0792","","","0.1568","0.2021","","","","","","1.103","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125748","6.9905","0.0008","7.0369","0.0008","14.519","0.0014","78.264","0.008","78.151","0.008","64.286","0.008","624.46","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 S -","- C13 H14 N4 S -","- C26 H28 N8 S2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0556","0.0411","","","0.1013","0.107","","","","","","1.067","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125749","7.8616","0.0006","12.1269","0.0007","11.1928","0.0009","90","","97.003","0.006","90","","1059.13","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0892","0.0712","","","0.1816","0.2056","","","","","","1.064","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125750","6.4586","0.0005","24.9625","0.0012","17.2461","0.0007","90","","90","","90","","2780.5","0.3","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H17 Cl N4 -","- C14 H16.5 Cl N4 -","- C112 H132 Cl8 N32 -","8","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0918","0.0512","","","0.1056","0.1231","","","","","","1.058","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125751","6.8554","0.0003","13.1808","0.0009","15.3404","0.0007","90","","96.866","0.003","90","","1376.21","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 Se -","- C14 H16 N4 Se -","- C56 H64 N16 Se4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0544","0.0395","","","0.0914","0.1011","","","","","","1.061","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125752","8.303","0.0006","12.2487","0.0009","13.1031","0.0012","90","","98.019","0.007","90","","1319.57","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 Ni -","- C16 H14 N4 Ni -","- C64 H56 N16 Ni4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0531","0.0381","","","0.0994","0.1074","","","","","","1.054","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125753","9.5141","0.0005","22.5212","0.0009","12.1912","0.0007","90","","98.997","0.004","90","","2580.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H45 Cl8 N5 P2 Ru -","- C51 H45 Cl8 N5 P2 Ru -","- C102 H90 Cl16 N10 P4 Ru2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0644","0.0499","","","0.1162","0.1238","","","","","","1.05","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125754","9.5555","0.0002","24.2364","0.0007","21.3888","0.0006","90","","90","","90","","4953.5","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H20 N4 Ni -","- C19 H20 N4 Ni -","- C228 H240 N48 Ni12 -","12","1.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0473","0.0403","","","0.1147","0.1201","","","","","","1.123","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125755","14.1205","0.0004","15.7166","0.0006","22.8944","0.0006","90","","98.417","0.002","90","","5026.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Cl2 N5 P2 Ru -","- C57 H53 Cl2 N5 P2 Ru -","- C228 H212 Cl8 N20 P8 Ru4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1139","0.0872","","","0.2217","0.2553","","","","","","1.14","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125756","15.4397","0.0004","13.018","0.0002","15.7193","0.0004","90","","100.06","0.002","90","","3110.91","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 Ni -","- C18 H18 N4 Ni -","- C144 H144 N32 Ni8 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.0379","0.0281","","","0.0604","0.0653","","","","","","1.049","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125757","11.3628","0.0004","21.1456","0.0007","12.1342","0.0005","90","","109.851","0.003","90","","2742.28","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl3 N4 Ni Rh -","- C27 H32 Cl3 N4 Ni Rh -","- C108 H128 Cl12 N16 Ni4 Rh4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1178","0.0935","","","0.2381","0.2686","","","","","","1.043","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125758","7.1632","0.0007","13.0691","0.0012","13.5288","0.0014","117.501","0.007","95.03","0.008","100.47","0.008","1083.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl N4 Ni Rh -","- C24 H26 Cl N4 Ni Rh -","- C48 H52 Cl2 N8 Ni2 Rh2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0914","0.0779","","","0.202","0.2236","","","","","","1.021","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125759","8.8137","0.0006","9.8816","0.0007","10.4045","0.0007","116.637","0.005","102.468","0.006","93.764","0.006","777.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br Cu N4 Ni -","- C16 H14 Br Cu N4 Ni -","- C32 H28 Br2 Cu2 N8 Ni2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0339","0.0229","","","0.0484","0.0514","","","","","","0.967","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125760","34.3321","0.0004","34.3321","0.0004","10.309","0.0001","90","","90","","90","","12151.1","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C27 H32 Cl N4 Ni Rh -","- C27 H32 Cl N4 Ni Rh -","- C432 H512 Cl16 N64 Ni16 Rh16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.0528","0.0375","","","0.083","0.0916","","","","","","1.031","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125761","13.0554","0.0007","13.51","0.0005","23.7059","0.0011","90","","101.001","0.004","90","","4104.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl2 I2 N8 Ni2 Zn -","- C39 H42 Cl2 I2 N8 Ni2 Zn -","- C156 H168 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0997","0.0603","","","0.1435","0.1656","","","","","","1.067","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125762","20.5758","0.0007","17.6627","0.0008","11.0017","0.0004","90","","90","","90","","3998.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C148 H152 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1029","0.0883","","","0.2313","0.2592","","","","","","1.141","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125763","9.5888","0.0012","20.771","0.002","9.4041","0.0012","90","","112.364","0.009","90","","1732.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 Cu2 N8 Ni2 -","- C36 H36 Br2 Cu2 N8 Ni2 -","- C72 H72 Br4 Cu4 N16 Ni4 -","2","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1311","0.1025","","","0.2746","0.3287","","","","","","1.091","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125764","17.7226","0.0007","16.5686","0.0005","21.4449","0.0007","90","","90","","90","","6297.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H28 I2 N8 Ni2 Zn -","- C32 H28 I2 N8 Ni2 Zn -","- C256 H224 I16 N64 Ni16 Zn8 -","8","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0736","0.0497","","","0.118","0.1328","","","","","","1.135","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125765","9.6279","0.0005","21.6105","0.0013","9.4506","0.0005","90","","112.988","0.004","90","","1810.17","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Br2 Cu2 N8 Ni2 -","- C38 H40 Br2 Cu2 N8 Ni2 -","- C76 H80 Br4 Cu4 N16 Ni4 -","2","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0737","0.0586","","","0.1508","0.1729","","","","","","1.017","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125766","9.9754","0.0007","14.0802","0.0015","10.6923","0.0009","90","","91.036","0.006","90","","1501.5","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11.333 H10 Cl0.667 N1.333 O0.667 -","- C11.3333 H10 Cl0.666667 N1.33333 O0.666667 -","- C68 H60 Cl4 N8 O4 -","6","1.5","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.0706","0.0505","","","0.1325","0.1485","","","","","","0.9498","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7125767","5.9361","0.0007","26.091","0.003","10.7999","0.0011","90","","98.444","0.011","90","","1654.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.0883","0.0591","","","0.1374","0.1542","","","","","","1.0831","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7125768","8.2526","0.0009","9.1103","0.001","21.0646","0.0018","90","","90","","90","","1583.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 -","- C18 H19 Cl N2 -","- C72 H76 Cl4 N8 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.0919","0.1062","","","","","","1.01","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7156298","8.719","0.002","9.572","0.002","12.839","0.003","73.103","0.003","81.352","0.003","77.937","0.003","998","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 F2 O2 -","- C26 H30 F2 O2 -","- C52 H60 F4 O4 -","2","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.072","0.0526","","","0.1284","0.1389","","","","","","1.032","","","","has coordinates","225204","2020-10-21","18:00:00",""
"7156299","14.3431","0.0018","9.3243","0.0012","15.4742","0.0019","90","","111.719","0.002","90","","1922.6","0.4","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(5aS,5bS)-5a,5b-diphenyltetradecahydrocyclobuta[1,2:3,4]di[7]annulene","","- C26 H32 -","- C26 H32 -","- C104 H128 -","4","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.0778","0.0464","","","0.0975","0.1116","","","","","","1.022","","","","has coordinates","225204","2020-10-21","18:00:00",""
"7156300","24.779","0.003","8.6962","0.001","17.543","0.002","90","","100.152","0.002","90","","3721","0.8","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(5aS,5bS,10aS,10bS)-5a,5b-di(pyridin-2-yl)tetradecahydrocyclobuta[1,2:3,4]di[7]annulene","","- C24 H30 N2 -","- C24 H30 N2 -","- C192 H240 N16 -","8","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.0565","0.0495","","","0.1293","0.1339","","","","","","1.05","","","","has coordinates","225204","2020-10-21","18:00:00",""
"7156392","6.6421","0.0005","9.7101","0.0007","15.1008","0.001","90","","97.188","0.007","90","","966.28","0.12","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Lu, Yandong; Zhao, Shan; Zhou, Shijie; Chen, Si-Cong; Luo, Tuoping","Enantioselective syntheses and application of 4-epi-galiellalactone and the corresponding activity-based probe: from strained bicycles to strained tricycles.","Organic & biomolecular chemistry","2019","17","7","1886","1892","10.1039/c8ob01915k","","","0.7107","MoKα","","0.0768","0.0501","","","0.1126","0.1269","","","","","","1.08","","","","has coordinates","225211","2020-10-21","18:00:00",""
"7156464","9.8049","0.0009","9.8109","0.001","11.398","0.0012","87.971","0.004","75.802","0.004","85.937","0.004","1060.08","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H23 O3 -","- C27 H23 O3 -","- C54 H46 O6 -","2","1","","Yaragorla, Srinivasarao; Rajesh, P.","Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.","Organic & biomolecular chemistry","2019","17","7","1924","1928","10.1039/c8ob02158a","","","0.71073","MoKα","","0.0779","0.0603","","","0.1658","0.1761","","","","","","1.065","","","","has coordinates","225210","2020-10-21","18:00:00",""
"7156465","9.9166","0.0011","10.0554","0.0013","12.1593","0.0015","106.883","0.005","98.953","0.005","94.007","0.005","1137.6","0.2","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Yaragorla, Srinivasarao; Rajesh, P.","Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.","Organic & biomolecular chemistry","2019","17","7","1924","1928","10.1039/c8ob02158a","","","0.71073","MoKα","","0.1298","0.0607","","","0.1322","0.1611","","","","","","0.956","","","","has coordinates","225210","2020-10-21","18:00:00",""
"7156490","7.942","0.004","16.844","0.01","17.488","0.011","90","","90","","90","","2339","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-benzoyl-3-(dibenzo[b,d]thophen-4-yl)-8a-methyl-3,4,4a,5-tetrahydro-2H chromen-6(8a H)-one","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C116 H96 O12 S4 -","4","1","","Jadhav, Sandip B.; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Rh-Catalyzed diastereoselective desymmetrization of enone tethered-cyclohexadienones via tandem arylative cyclization.","Organic & biomolecular chemistry","2019","17","7","1937","1946","10.1039/c8ob02284d","","","0.71073","MoKα","","0.1013","0.0529","","","0.123","0.1498","","","","","","0.922","","","","has coordinates,has disorder","225212","2020-10-21","18:00:00",""
"7156524","4.9268","0.0004","7.7","0.0007","12.5316","0.001","89.531","0.007","82.298","0.007","77.518","0.007","459.87","0.07","143","2","143","2","","","","","","","","5","P -1","-P 1","2","KH-86","","","- C8 H6 Cl2 O2 S -","- C8 H6 Cl2 O2 S -","- C16 H12 Cl4 O4 S2 -","2","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0457","0.0361","","","0.0763","0.0828","","","","","","1.069","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156525","19.3829","0.0007","11.6584","0.0004","12.0827","0.0004","90","","127.88","0.001","90","","2155.08","0.13","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","KH-106","","","- C20 H33 B O2 S2 -","- C20 H33 B O2 S2 -","- C80 H132 B4 O8 S8 -","4","0.5","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0342","0.0282","","","0.0668","0.0719","","","","","","1.079","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156526","12.7042","0.0013","7.6415","0.0007","19.807","0.002","90","","102.369","0.004","90","","1878.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KH-85-Ic","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0586","0.0417","","","0.0859","0.0928","","","","","","1.152","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156527","16.0174","0.0011","15.9817","0.001","7.3482","0.0006","90","","90","","90","","1881","0.2","106","2","106","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KH-114","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.041","0.0374","","","0.0814","0.0829","","","","","","1.156","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156528","9.3294","0.0002","21.9444","0.0006","10.2119","0.0003","90","","104.342","0.001","90","","2025.51","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KH-116-Z","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C84 H72 Cl8 O16 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0603","0.0429","","","0.0972","0.1068","","","","","","1.037","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156529","12.7347","0.0014","14.3201","0.0015","22.21","0.002","90","","106.007","0.003","90","","3893.2","0.7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH-111","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C168 H144 Cl16 O32 S8 -","8","2","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0438","0.0339","","","0.0869","0.0932","","","","","","1.076","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156541","5.8336","0.0006","11.4947","0.0015","14.982","0.002","77.575","0.005","81.412","0.005","77.375","0.004","951.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Oxidative cross-dehydrogenative [2 + 3] annulation of α-amino ketones with α-keto esters: concise synthesis of clausenamide analogues.","Organic & biomolecular chemistry","2019","17","7","1740","1743","10.1039/c8ob02369g","","","0.71073","MoKα","","0.085","0.0512","","","0.1273","0.151","","","","","","1.026","","","","has coordinates","225205","2020-10-21","18:00:00",""
"7156552","15.1112","0.0004","15.5876","0.0005","31.4003","0.0009","90","","90","","90","","7396.3","0.4","150","2","150.02","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H68 Cl4 F12 N4 O8 S4 -","- C68 H68 Cl4 F12 N4 O8 S4 -","- C272 H272 Cl16 F48 N16 O32 S16 -","4","1","","Qin, Tian; Jiang, Quanbin; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral selenide-catalyzed enantioselective synthesis of trifluoromethylthiolated 2,5-disubstituted oxazolines.","Organic & biomolecular chemistry","2019","17","7","1763","1766","10.1039/c8ob02575d","","x-ray","1.54184","CuKα","","0.0805","0.0566","","","0.1316","0.1466","","","","","","1.018","","","","has coordinates,has disorder","225206","2020-10-21","18:00:00",""
"7156573","11.0331","0.0007","11.2615","0.0007","19.3004","0.0013","92.446","0.002","93.38","0.002","111.994","0.002","2214.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N4 O2 S -","- C27 H22 N4 O2 S -","- C108 H88 N16 O8 S4 -","4","2","","Samala, Srinivas; Ryu, Do Hyun; Song, Choong Eui; Yoo, Eun Jeong","Multicomponent dipolar cycloadditions: efficient synthesis of polycyclic fused pyrrolizidines via azomethine ylides.","Organic & biomolecular chemistry","2019","17","7","1773","1777","10.1039/c8ob02463d","","","0.71073","MoKα","","0.0534","0.0442","","","0.1202","0.1288","","","","","","1.033","","","","has coordinates","225213","2020-10-21","18:00:00",""
"7156590","15.1652","0.0008","15.1364","0.0013","19.9955","0.0013","90","","106.48","0.006","90","","4401.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C232 H184 N8 O24 -","8","2","","Haldar, Surajit; Jana, Chandan K.","Direct (het)arylation of tetrahydroisoquinolines via a metal and oxidant free C(sp<sup>3</sup>)-H functionalization enabled three component reaction.","Organic & biomolecular chemistry","2019","17","7","1800","1804","10.1039/c8ob02309c","","","0.71073","MoKα","","0.1957","0.0905","","","0.1964","0.3323","","","","","","1.192","","","","has coordinates","225208","2020-10-21","18:00:00",""
"7156599","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T.","Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","2","347","353","10.1039/c8ob02333f","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225139","2020-10-21","18:00:00",""
"7156600","11.6212","0.0012","6.9157","0.0008","12.8041","0.0014","90","","109.534","0.003","90","","969.82","0.18","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Motaghi, Milad; Khosravi, Hormoz; Balalaie, Saeed; Rominger, Frank","Catalytic formal [4 + 1] isocyanide-based cycloaddition: an efficient strategy for the synthesis of 1H-cyclopenta[b]quinolin-1-one derivatives.","Organic & biomolecular chemistry","2019","17","2","275","282","10.1039/c8ob02857e","","","0.71073","MoKα","","0.1131","0.0546","","","0.1068","0.1308","","","","","","1.008","","","","has coordinates,has disorder","225143","2020-10-21","18:00:00",""
"7156601","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225142","2020-10-21","18:00:00",""
"7156602","14.943","0.006","10.893","0.005","16.259","0.006","90","","90.199","0.01","90","","2646.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxyphenyl)-3-(methylsulfonyl)-2-(tosylmethyl)-3,4-dihydrobenzo[f]isoquinoline","","- C29 H27 N O5 S2 -","- C29 H27 N O5 S2 -","- C116 H108 N4 O20 S8 -","4","1","","Undeela, Sridhar; Chandra, Rajesh; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Gold-catalysed regioselective cascade cycloisomerisation reactions of aza-enediynes for the synthesis of substituted benzoisoquinoline derivatives.","Organic & biomolecular chemistry","2019","17","2","369","373","10.1039/c8ob02544d","","","0.71073","MoKα","","0.0482","0.0394","","","0.1185","0.1247","","","","","","1.068","","","","has coordinates","225140","2020-10-21","18:00:00",""
"7156604","10.1801","0.0004","10.2257","0.0014","21.1176","0.0012","90","","103.581","0.01","90","","2136.8","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N3 O -","- C25 H24 Br N3 O -","- C100 H96 Br4 N12 O4 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Wang, Zhan-Yong; Hu, Meng-Wei; Qiu, Ting-Ting; Zhu, Bao-Ku","Cross 1,3-dipolar cycloadditions of C,N-cyclic azomethine imines with an N-benzyl azomethine ylide: facile access to fused tricyclic 1,2,4-hexahydrotriazines.","Organic & biomolecular chemistry","2019","17","2","244","247","10.1039/c8ob02932f","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","225141","2020-10-21","18:00:00",""
"7156605","10.5966","0.0001","7.8609","0.0001","11.8783","0.0001","90","","114.143","0.001","90","","902.899","0.018","99.97","0.19","99.97","0.19","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11.5 H10.5 N1.5 O -","- C11.5 H10.5 N1.5 O -","- C46 H42 N6 O4 -","4","2","","Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng","Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.","Organic & biomolecular chemistry","2019","17","5","1053","1057","10.1039/c8ob02775g","","x-ray","1.54184","CuKα","","0.0295","0.0291","","","0.0736","0.0739","","","","","","1.098","","","","has coordinates","225102","2020-10-21","18:00:00",""
"7156608","38.238","0.002","10.441","0.0005","17.4643","0.0009","90","","98.199","0.002","90","","6901.2","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H51 N2 Sc Si2 -","- C31 H51 N2 Sc Si2 -","- C248 H408 N16 Sc8 Si16 -","8","1","","Su, Jianhong; Zhou, Yiqun; Xu, Xin","Hydroaminoalkylation of sterically hindered alkenes with N,N-dimethyl anilines using a scandium catalyst.","Organic & biomolecular chemistry","2019","17","7","2013","2019","10.1039/c8ob02657b","","","0.71073","MoKα","","0.076","0.0425","","","0.0976","0.1188","","","","","","1.053","","","","has coordinates","225209","2020-10-21","18:00:00",""
"7156609","11.436","0.0006","8.3742","0.0004","14.1928","0.0008","90","","94.648","0.002","90","","1354.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N O3 -","- C15 H10 Br N O3 -","- C60 H40 Br4 N4 O12 -","4","1","","da Silva, Vitor A. F.; da Silva, Gustavo P.; Matsuo, Bianca T.; Ali, Akbar; Davis, Rebecca L.; Zukerman-Schpector, Julio; Corrêa, Arlene G; Paixão, Márcio W","Synthesis of (Z)-β-halo α,β-unsaturated carbonyl systems via the combination of halotrimethylsilane and tetrafluoroboric acid.","Organic & biomolecular chemistry","2019","17","3","519","526","10.1039/c8ob02110d","","","0.71073","MoKα","","0.0454","0.0347","","","0.09","0.0958","","","","","","1.038","","","","has coordinates","225304","2020-10-21","18:00:00",""
"7156610","8.5538","0.0005","28.5184","0.0014","9.9217","0.0005","90","","104.085","0.005","90","","2347.5","0.2","298","2","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 Br N2 O8 -","- C25 H21 Br N2 O8 -","- C100 H84 Br4 N8 O32 -","4","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.0835","0.0463","","","0.0808","0.093","","","","","","1.05","","","","has coordinates","225169","2020-10-21","18:00:00",""
"7156611","8.0079","0.0007","10.6912","0.0011","12.9965","0.0011","79.773","0.008","82.666","0.007","69.817","0.008","1025.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Br N2 O6 -","- C22 H17 Br N2 O6 -","- C44 H34 Br2 N4 O12 -","2","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.101","0.0491","","","0.0872","0.1046","","","","","","0.995","","","","has coordinates","225169","2020-10-21","18:00:00",""
"7156612","7.552","0.0011","8.2283","0.0011","12.801","0.0018","74.726","0.004","86.674","0.005","72.819","0.004","732.95","0.18","300","2","300","2","","","","","","","","5","P -1","-P 1","2","4'-(4-nitrophenyl)spiro[indene-2,5'-[1,4,2]oxathiazol]-1(3H)-one-4'-oxide","","","- C16 H10 N2 O5 S -","- C16 H10 N2 O5 S -","- C32 H20 N4 O10 S2 -","2","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","0.71073","MoKα","","0.0643","0.051","","","0.1583","0.1729","","","","","","1.054","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156613","11.0131","0.0002","11.9246","0.0002","14.5681","0.0003","90","","107.106","0.001","90","","1828.55","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0562","0.0549","","","0.1588","0.16","","","","","","1.06","","","","has coordinates,has disorder","225308","2020-10-21","18:00:00",""
"7156614","14.0083","0.001","8.7108","0.0006","11.5419","0.0008","90","","105.733","0.002","90","","1355.62","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F2 N O2 S -","- C16 H9 F2 N O2 S -","- C64 H36 F8 N4 O8 S4 -","4","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0335","0.0328","","","0.092","0.0927","","","","","","1.1","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156615","15.237","0.003","11.212","0.002","17.948","0.003","90","","90","","90","","3066.2","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 F N O3 S -","- C17 H12 F N O3 S -","- C136 H96 F8 N8 O24 S8 -","8","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0449","0.0448","","","0.1302","0.1303","","","","","","1.097","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156616","7.342","0.002","8.954","0.003","11.714","0.003","70.226","0.009","83.607","0.009","72.23","0.009","690.1","0.4","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O3 S -","- C16 H11 N O3 S -","- C32 H22 N2 O6 S2 -","2","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","0.71073","MoKα","","0.0503","0.0405","","","0.108","0.1166","","","","","","1.055","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156617","8.1792","0.0013","22.368","0.004","9.641","0.0015","90","","90.631","0.003","90","","1763.7","0.5","293","","293","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl F O2 -","- C19 H18 Cl F O2 -","- C76 H72 Cl4 F4 O8 -","4","2","","Schlinquer, Claire; Huang, Wei-Sheng; Chen, Ling; Poisson, Thomas; Pannecoucke, Xavier; Charette, André B; Jubault, Philippe","Rhodium catalysed enantioselective synthesis of mono-(halo)-methyl-cyclopropanes.","Organic & biomolecular chemistry","2019","17","3","472","476","10.1039/c8ob03041c","","x-ray","0.71073","MoKα","","0.0872","0.0569","","","0.1388","0.1615","","","","","","1.015","","","","has coordinates","225310","2020-10-21","18:00:00",""
"7156618","6.1601","0.0007","16.0224","0.0018","16.6437","0.0019","90","","99.193","0.002","90","","1621.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Shen, Jiabin; Xu, Jun; Cai, Heng; Shen, Chao; Zhang, Pengfei","Platinum(ii)-catalyzed selective para C-H alkoxylation of arylamines through a coordinating activation strategy.","Organic & biomolecular chemistry","2019","17","3","490","497","10.1039/c8ob02942c","","","0.71073","MoKα","","0.0662","0.0432","","","0.1025","0.1175","","","","","","1.017","","","","has coordinates","225303","2020-10-21","18:00:00",""
"7156619","5.9701","0.0002","7.3338","0.0003","31.4408","0.0013","90","","90","","90","","1376.59","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br Cl N2 O2 -","- C13 H10 Br Cl N2 O2 -","- C52 H40 Br4 Cl4 N8 O8 -","4","1","","Yu, Kun-Ming; Zhu, Hui-Kai; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalyzed asymmetric tandem conjugate addition-protonation of isocyanoacetates to 2-chloroacrylonitrile.","Organic & biomolecular chemistry","2019","17","3","639","645","10.1039/c8ob02833h","","","0.71073","MoKα","","0.0256","0.0235","","","0.056","0.0569","","","","","","1.059","","","","has coordinates","225307","2020-10-21","18:00:00",""
"7156620","10.3681","0.0006","11.3036","0.0006","13.4537","0.0008","90","","111.487","0.004","90","","1467.15","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Khopade, Tushar M.; Warghude, Prakash K.; Sonawane, Amol D.; Bhat, Ramakrishna G.","Multicomponent synthesis of pyroglutamic acid derivatives via Knoevenagel-Michael-hydrolysis-lactamization-decarboxylation (KMHL-D) sequence.","Organic & biomolecular chemistry","2019","17","3","561","566","10.1039/c8ob02473a","","","1.54178","CuKα","","0.0841","0.0622","","","0.169","0.1845","","","","","","1.045","","","","has coordinates","225309","2020-10-21","18:00:00",""
"7156621","7.3603","0.0007","16.4621","0.0016","24.344","0.002","90","","90","","90","","2949.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N O3 -","- C36 H49 N O3 -","- C144 H196 N4 O12 -","4","1","","Khusnutdinova, Elmira F.; Kazakova, Oxana B.; Lobov, Alexander N.; Kukovinets, Olga S.; Suponitsky, Kyrill Yu; Meyers, Craig B.; Prichard, Mark N.","Synthesis of A-ring quinolones, nine-membered oxolactams and spiroindoles by oxidative transformations of 2,3-indolotriterpenoids.","Organic & biomolecular chemistry","2019","17","3","585","597","10.1039/c8ob02624f","","","0.71073","MoKα","","0.0806","0.0493","","","0.0955","0.1074","","","","","","0.996","","","","has coordinates","225306","2020-10-21","18:00:00",""
"7156622","7.2468","0.0001","11.3553","0.0002","12.5163","0.0002","90","","98.095","0.001","90","","1019.7","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl O2 Rh -","- C21 H26 Cl O2 Rh -","- C42 H52 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0222","0.0194","","","0.0479","0.0502","","","","","","1.001","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156623","8.2888","0.0004","8.8488","0.0005","17.556","0.0009","79.844","0.002","81.31","0.001","89.519","0.001","1252.71","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Br Cl O2 Rh -","- C27 H29 Br Cl O2 Rh -","- C54 H58 Br2 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0331","0.0263","","","0.0713","0.0811","","","","","","1.002","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156624","13.391","0.017","10.239","0.013","21.4","0.03","90","","106.18","0.03","90","","2818","6","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C140 H120 O20 -","- C140 H120 O20 -","- C140 H120 O20 -","1","0.5","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0839","0.041","","","0.0633","0.0717","","","","","","0.802","","","","has coordinates,has disorder","225305","2020-10-21","18:00:00",""
"7156625","11.362","0.0004","15.3627","0.0007","16.0741","0.0007","90","","90","","90","","2805.8","0.2","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 O5 -","- C35 H30 O5 -","- C140 H120 O20 -","4","1","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0557","0.0377","","","0.0862","0.0945","","","","","","1.027","","","","has coordinates","225305","2020-10-21","18:00:00",""
"7156626","10.1298","0.0003","18.7025","0.0005","19.0521","0.0005","90","","90","","90","","3609.47","0.17","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Xu, Zhong-Qi; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Metal-free oxysulfonylation and aminosulfonylation of alkenyl oximes: synthesis of sulfonylated isoxazolines and cyclic nitrones.","Organic & biomolecular chemistry","2019","17","4","898","907","10.1039/c8ob02879f","","x-ray","0.71073","MoKα","","0.0483","0.04","","","0.0977","0.1037","","","","","","1.039","","","","has coordinates","225126","2020-10-21","18:00:00",""
"7156627","10.2176","0.0005","22.5674","0.0012","10.3343","0.0005","90","","117.499","0.001","90","","2113.7","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0576","0.0443","","","0.1097","0.1214","","","","","","1.033","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156628","6.9632","0.0009","20.434","0.003","28.769","0.003","90","","90","","90","","4093.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0605","0.0431","","","0.113","0.1283","","","","","","1.041","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156629","16.4009","0.0008","7.8236","0.0004","31.4855","0.0017","90","","102.498","0.003","90","","3944.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0497","0.0449","","","0.1154","0.1199","","","","","","1.043","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156630","16.935","0.003","7.2255","0.0011","18.475","0.003","90","","96.243","0.016","90","","2247.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br N O S0 -","- C28 H20 Br N O -","- C112 H80 Br4 N4 O4 -","4","1","","Li, Shengxiao; Wu, Xin-Xing; Chen, Shufeng","Base-promoted direct synthesis of functionalized N-arylindoles via the cascade reactions of allenic ketones with indoles.","Organic & biomolecular chemistry","2019","17","4","789","793","10.1039/c8ob02921k","","","0.71073","MoKα","","0.1911","0.0768","","","0.1845","0.2287","","","","","","1.04","","","","has coordinates","225127","2020-10-21","18:00:00",""
"7156631","10.9451","0.0003","7.79","0.0002","25.6813","0.0009","90","","95.0229","0.0014","90","","2181.24","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O3 S -","- C26 H22 O3 S -","- C104 H88 O12 S4 -","4","1","","Rajeshkumar, Venkatachalam; Neelamegam, Chinnaraj; Anandan, Sambandam","A one-pot metal-free protocol for the synthesis of chalcogenated furans from 1,4-enediones and thiols.","Organic & biomolecular chemistry","2019","17","4","982","991","10.1039/c8ob03051k","","","0.71073","MoKα","","0.0694","0.0424","","","0.0934","0.1082","","","","","","1.046","","","","has coordinates","225130","2020-10-21","18:00:00",""
"7156632","12.09","0.003","12.294","0.003","12.543","0.003","63.859","0.003","70.176","0.003","61.173","0.003","1447.1","0.6","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","2","","Yuan, Fu-Ru; Jiang, Fei; Chen, Ke-Wei; Mei, Guang-Jian; Wu, Qiong; Shi, Feng","Phosphine-catalyzed [4 + 2] cyclization of para-quinone methide derivatives with allenes.","Organic & biomolecular chemistry","2019","17","9","2361","2369","10.1039/c8ob02979b","","","0.71073","MoKα","","0.1393","0.068","","","0.1447","0.1806","","","","","","1.018","","","","has coordinates","225215","2020-10-21","18:00:00",""
"7156633","11.2723","0.0008","11.6971","0.0006","10.6896","0.0006","90","","101.099","0.006","90","","1383.1","0.15","223","1","223","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B N2 O3 -","- C15 H13 B N2 O3 -","- C60 H52 B4 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.71073","MoKα","","0.0979","0.0585","","","0.1461","0.1738","","","","","","0.924","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156634","11.3834","0.0013","10.8026","0.0009","12.7677","0.001","90","","103.589","0.01","90","","1526.1","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B2 N2 O3 -","- C15 H16 B2 N2 O3 -","- C60 H64 B8 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.1448","0.081","","","0.1694","0.2174","","","","","","1.045","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156635","7.0763","0.0005","9.3343","0.0007","20.5929","0.0014","90","","92.821","0.007","90","","1358.56","0.17","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B N2 O3 -","- C14 H15 B N2 O3 -","- C56 H60 B4 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.0702","0.0514","","","0.1541","0.1853","","","","","","0.653","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156636","14.4042","0.0011","9.165","0.0005","13.235","0.0009","90","","113.504","0.008","90","","1602.2","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B N2 O4 -","- C17 H17 B N2 O4 -","- C68 H68 B4 N8 O16 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.0728","0.0494","","","0.124","0.1521","","","","","","0.583","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156637","19.3333","0.0008","13.2563","0.0005","24.6689","0.001","90","","108.952","0.002","90","","5979.6","0.4","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H46 N2 O2 -","- C51 H46 N2 O2 -","- C306 H276 N12 O12 -","6","3","","Gu, Haorui; Huang, Shaoying; Lin, Xufeng","Iron-catalyzed asymmetric intramolecular cyclopropanation reactions using chiral tetramethyl-1,1'-spirobiindane-based bisoxazoline (TMSI-BOX) ligands.","Organic & biomolecular chemistry","2019","17","5","1154","1162","10.1039/c8ob03065k","","","1.54178","CuKα","","0.0863","0.0802","","","0.2172","0.2237","","","","","","1.028","","","","has coordinates","225101","2020-10-21","18:00:00",""
"7156638","16.6576","0.0008","13.2575","0.0006","15.4394","0.0007","90","","109.2","0.002","90","","3220","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl4 N2 O3 Ru2 -","- C31 H34 Cl4 N2 O3 Ru2 -","- C124 H136 Cl16 N8 O12 Ru8 -","4","1","","Sundar, Saranya; Rengan, Ramesh","Direct synthesis of 2,4,5-trisubstituted imidazoles from primary alcohols by diruthenium(ii) catalysts under aerobic conditions.","Organic & biomolecular chemistry","2019","17","6","1402","1409","10.1039/c8ob02785d","","","0.71073","MoKα","","0.0511","0.0409","","","0.1138","0.1213","","","","","","1.05","","","","has coordinates","225144","2020-10-21","18:00:00",""
"7156639","14.3847","0.0006","13.9665","0.0005","45.3662","0.0017","90","","95.994","0.003","90","","9064.4","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H44.26 Cl0.77 F40 N8 -","- C98.255 H44.255 Cl0.765 F40 N8 -","- C393.02 H177.02 Cl3.06 F160 N32 -","4","1","","Naito, Wakana; Urakawa, Kazuki; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","Quadruply N-methylated octaphyrin: a helical macrocycle exhibiting chiroptical properties and dynamic conformation changes correlated with helical and inner N-methyl orientations.","Organic & biomolecular chemistry","2019","17","5","1163","1168","10.1039/c8ob03161d","","","0.78224","Synchrotron","","0.3086","0.1066","","","0.2173","0.288","","","","","","0.952","","","","has coordinates","225104","2020-10-21","18:00:00",""
"7156640","10.1785","0.0003","11.8901","0.0004","25.9949","0.0008","90","","90","","90","","3145.99","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br N O6 -","- C14 H14 Br N O6 -","- C112 H112 Br8 N8 O48 -","8","1","","Chen, Huiqing; Xie, Jia; Xing, Dong; Wang, Jinping; Tang, Jie; Yi, Zhengfang; Xia, Fei; Qiu, Wen-Wei; Yang, Fan","Diastereoselective synthesis of 3,3-disubstituted 3-nitro-4-chromanone derivatives as potential antitumor agents.","Organic & biomolecular chemistry","2019","17","5","1062","1066","10.1039/c8ob02761g","","","0.71073","MoKα","","0.0636","0.0501","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates,has disorder","225103","2020-10-21","18:00:00",""
"7156641","13.2804","0.0005","8.7572","0.0004","21.1478","0.0008","90","","106.224","0.0015","90","","2361.53","0.17","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F8 N2 O2 -","- C30 H12 F8 N2 O2 -","- C120 H48 F32 N8 O8 -","4","1","","Brittain, William D. G.; Cobb, Steven L.","Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2110","2115","10.1039/c8ob02899k","","x-ray","0.71073","MoKα","","0.0507","0.0384","","","0.0953","0.1017","","","","","","1.047","","","","has coordinates","225085","2020-10-21","18:00:00",""
"7156642","7.4591","0.0017","10.786","0.003","26.797","0.006","90","","91.012","0.006","90","","2155.6","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 N2 O3 -","- C11 H4 F4 N2 O3 -","- C88 H32 F32 N16 O24 -","8","2","","Brittain, William D. G.; Cobb, Steven L.","Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2110","2115","10.1039/c8ob02899k","","x-ray","0.71073","MoKα","","0.1654","0.0662","","","0.112","0.1393","","","","","","1.01","","","","has coordinates","225085","2020-10-21","18:00:00",""
"7156643","6.1663","0.0003","11.1767","0.0006","16.5802","0.0008","90","","90","","90","","1142.69","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-bromophenyl)isobenzofuran-1(3H)-one","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","x-ray","1.54178","CuKα","","0.0189","0.0188","","","0.0492","0.0492","","","","","","1.071","","","","has coordinates","212996","2020-10-21","18:00:00",""
"7156644","14.8543","0.0004","12.8156","0.0003","16.9743","0.0005","90","","105.02","0.003","90","","3120.95","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br O3 S Se -","- C31 H23 Br O3 S Se -","- C124 H92 Br4 O12 S4 Se4 -","4","1","","Huang, Shengli; Chen, Zhili; Mao, Hui; Hu, Fangli; Li, Dongmei; Tan, Yu; Yang, Fengqing; Qin, Wenling","Metal-free difunctionalization of alkynes to access tetrasubstituted olefins through spontaneous selenosulfonylation of vinylidene ortho-quinone methide (VQM).","Organic & biomolecular chemistry","2019","17","5","1121","1129","10.1039/c8ob02967a","","","0.71073","MoKα","","0.0652","0.0435","","","0.108","0.1184","","","","","","1.048","","","","has coordinates","225098","2020-10-21","18:00:00",""
"7156645","12.3922","0.0004","12.8577","0.0004","13.0925","0.0004","81.681","0.002","84.474","0.002","62.506","0.002","1829.98","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N4 O6 -","- C42 H40 N4 O6 -","- C84 H80 N8 O12 -","2","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.1522","0.087","","","0.2418","0.2905","","","","","","1.052","","","","has coordinates","225099","2020-10-21","18:00:00",""
"7156646","10.6167","0.0004","12.0022","0.0004","14.9533","0.0006","101.198","0.002","95.592","0.002","103.53","0.002","1796.75","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H40 Cl2 N4 O5 -","- C39 H40 Cl2 N4 O5 -","- C78 H80 Cl4 N8 O10 -","2","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.0997","0.0767","","","0.2247","0.2492","","","","","","1.052","","","","has coordinates","225099","2020-10-21","18:00:00",""
"7156647","11.5295","0.0003","20.4745","0.0005","17.1131","0.0004","90","","104.29","0.001","90","","3914.74","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 N4 O5 -","- C43 H48 N4 O5 -","- C172 H192 N16 O20 -","4","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.174","0.0674","","","0.1357","0.1786","","","","","","1.007","","","","has coordinates,has disorder","225099","2020-10-21","18:00:00",""
"7156648","17.0714","0.0012","27.849","0.002","6.8249","0.0003","90","","90","","90","","3244.7","0.4","100","2","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H35 N10 O6.5 -","- C36 H35 N10 O6.5 -","- C144 H140 N40 O26 -","4","1","","Calatrava-Pérez, Elena; Delente, Jason M.; Shanmugaraju, Sankarasekaran; Hawes, Chris S.; Williams, Clive D.; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Glycosylated naphthalimides and naphthalimide Tröger's bases as fluorescent aggregation probes for Con A.","Organic & biomolecular chemistry","2019","17","8","2116","2125","10.1039/c8ob02980f","","x-ray","1.54178","CuKα","","0.0924","0.0754","","","0.1873","0.2039","","","","","","1.082","","","","has coordinates,has disorder","225091","2020-10-21","18:00:00",""
"7156649","16.098","0.0005","16.098","0.0005","10.9326","0.0004","90","","90","","120","","2453.57","0.14","293","2","293","2","","","","","","","","4","P 62","P 62","171","","(R)-3-benzyl-3-((R)-4-hydroxybutan-2-yl)indolin-2-one","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C114 H126 N6 O12 -","3","0.5","","Cheng, Wen-Fu; Chen, Ling-Yan; Xu, Fang-Fang; Lin, Wei-Yu; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric Michael addition between 3-subsituted oxindoles and enals catalyzed by camphor sulfonyl hydrazine.","Organic & biomolecular chemistry","2019","17","4","885","891","10.1039/c8ob02934b","","","1.54178","CuKα","","0.0356","0.0325","","","0.0826","0.0855","","","","","","1.05","","","","has coordinates,has disorder","225129","2020-10-21","18:00:00",""
"7156650","27.0176","0.0006","36.9735","0.0008","14.7072","0.0003","90","","90","","90","","14691.5","0.5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C120 H164 N20 O18 -","- C120 H164 N20 O18 -","- C480 H656 N80 O72 -","4","0.25","","Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.","Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.","Organic & biomolecular chemistry","2019","17","6","1423","1435","10.1039/c8ob03121e","","","1.54178","CuKα","","0.0866","0.0701","","","0.1767","0.1927","","","","","","1.123","","","","has coordinates,has disorder","225146","2020-10-21","18:00:00",""
"7156651","23.014","0.007","6.551","0.002","6.696","0.002","90","","90","","90","","1009.5","0.5","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","0.5","","Wang, Miao; Tang, Bo-Cheng; Ma, Jin-Tian; Wang, Zi-Xuan; Xiang, Jia-Chen; Wu, Yan-Dong; Wang, Jun-Gang; Wu, An-Xin","I<sub>2</sub>/DMSO-mediated multicomponent reaction of o-hydroxyaryl methyl ketones, rongalite, and DMSO: access to C3-sulfenylated chromones.","Organic & biomolecular chemistry","2019","17","6","1535","1541","10.1039/c8ob02994f","","","0.71073","MoKα","","0.0675","0.0493","","","0.1416","0.1604","","","","","","0.942","","","","has coordinates","225150","2020-10-21","18:00:00",""
"7156652","8.3168","0.0009","9.3791","0.0012","18.018","0.002","92.69","0.003","99.941","0.003","114.17","0.003","1252.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","2","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium ylides: general access to functionalized indolizines and efficient synthesis of 1-fluoroindolizines.","Organic & biomolecular chemistry","2019","17","6","1442","1454","10.1039/c8ob03126f","","","0.71073","MoKα","","0.0951","0.0576","","","0.124","0.1484","","","","","","1.001","","","","has coordinates","225148","2020-10-21","18:00:00",""
"7156653","9.371","0.0002","13.7203","0.0003","11.5632","0.0003","90","","93.178","0.001","90","","1484.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N P -","- C38 H40 N P -","- C76 H80 N2 P2 -","2","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0509","0.0505","","","0.1229","0.1233","","","","","","1.161","","","","has coordinates,has disorder","225147","2020-10-21","18:00:00",""
"7156654","10.1412","0.0001","17.5089","0.0002","19.7319","0.0003","90","","90","","90","","3503.62","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl3 N P -","- C42 H41 Cl3 N P -","- C168 H164 Cl12 N4 P4 -","4","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0392","0.0389","","","0.1006","0.1009","","","","","","1.045","","","","has coordinates","225147","2020-10-21","18:00:00",""
"7156655","6.299","0.004","11.213","0.007","12.297","0.008","92.294","0.008","92.253","0.009","96.879","0.008","860.8","0.9","298","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Satpathi, Bishnupada; Dutta, Lona; Ramasastry, S. S. V.","Phosphine- and water-promoted pentannulative aldol reaction.","Organic & biomolecular chemistry","2019","17","6","1547","1551","10.1039/c8ob03106a","","","0.71073","MoKα","","0.0497","0.0391","","","0.1025","0.1119","","","","","","1.0631","","","","has coordinates","225145","2020-10-21","18:00:00",""
"7156656","16.0337","0.0016","12.9982","0.0013","14.006","0.0014","90","","99.941","0.003","90","","2875.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","1","","Bi, Ya-Ping; Wang, He-Min; Qu, Hong-Yu; Liang, Xian-Chen; Zhou, Ying; Li, Xue-Ying; Xu, Defeng; Shen, Mei-Hua; Xu, Hua-Dong","Stereoselective synthesis of all-cis boryl tetrahydroquinolines via copper-catalyzed regioselective addition/cyclization of o-aldiminyl cinnamate with B<sub>2</sub>Pin<sub>2</sub>.","Organic & biomolecular chemistry","2019","17","6","1542","1546","10.1039/c8ob03195a","","","0.71073","MoKα","","0.0991","0.0606","","","0.168","0.1961","","","","","","1.046","","","","has coordinates","225149","2020-10-21","18:00:00",""
"7156657","31.9","0.004","9.7621","0.001","15.5417","0.0016","90","","107.394","0.014","90","","4618.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 B F4 N2 -","- C28 H19 B F4 N2 -","- C224 H152 B8 F32 N16 -","8","1","","Talukdar, Kangkan; Roy, Subhasish; Bag, Raghunath; Punniyamurthy, Tharmalingam","Rh-Catalyzed tandem C-C/C-N bond formation of quinoxalines with alkynes leading to heterocyclic ammonium salts.","Organic & biomolecular chemistry","2019","17","8","2148","2152","10.1039/c8ob03103g","","","0.71073","MoKα","","0.2352","0.1092","","","0.2628","0.3187","","","","","","1.349","","","","has coordinates","225089","2020-10-21","18:00:00",""
"7156658","10.9656","0.0008","14.167","0.0012","14.562","0.003","112.022","0.014","102.093","0.011","104.464","0.007","1911.4","0.5","108","1","108","1","","","","","","","","6","P -1","-P 1","2","","N-(trans-2-Iodocyclohexyl)-N-(phenylsulfonyl)benzenesulfonamide","","- C18 H20 I N O4 S2 -","- C18 H20 I N O4 S2 -","- C72 H80 I4 N4 O16 S8 -","4","2","","Lei, Bowen; Miao, Qi; Ma, Lifang; Fu, Ruoqi; Hu, Fangrong; Ni, Ni; Li, Ziyuan","Efficient metal-free aminoiodination of alkenes with N-fluorobenzenesulfonimide under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2126","2133","10.1039/c8ob03019g","","x-ray","0.71073","MoKα","","0.0397","0.0329","","","0.0723","0.0766","","","","","","1.029","","","","has coordinates","225092","2020-10-21","18:00:00",""
"7156659","11.8316","0.0003","18.9651","0.0005","15.2168","0.0004","90","","101.139","0.001","90","","3350.14","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.75 H3.38 Cl0.25 N0.13 O0.75 S0.13 -","- C4.75 H3.375 Cl0.25 N0.125 O0.75 S0.125 -","- C152 H108 Cl8 N4 O24 S4 -","32","8","","Deng, Zhi-Xiong; Xie, Zhen-Zhen; Zheng, Yu; Xiao, Jun-An; Wang, Rui-Jia; Xiang, Hao-Yue; Yang, Hua","Intramolecular hydrogen-bonding-assisted phosphine-catalysed [3 + 2] cyclisation of ynones with o-hydroxy/amino benzaldehydes.","Organic & biomolecular chemistry","2019","17","8","2187","2191","10.1039/c9ob00056a","","","0.71073","MoKα","","0.139","0.0999","","","0.3069","0.3436","","","","","","1.089","","","","has coordinates","225090","2020-10-21","18:00:00",""
"7156660","18.8452","0.0014","5.9542","0.0004","27.679","0.002","90","","103.868","0.002","90","","3015.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Li, Bang; Mao, Qi; Zhou, Jia; Liu, Feng; Ye, Na","HFIP-promoted Michael reactions: direct para-selective C-H activation of anilines with maleimides.","Organic & biomolecular chemistry","2019","17","8","2242","2246","10.1039/c8ob03073a","","","0.71073","MoKα","","0.0632","0.0522","","","0.1608","0.1714","","","","","","1.028","","","","has coordinates","225088","2020-10-21","18:00:00",""
"7156661","6.7899","0.0004","16.6281","0.0011","18.1779","0.0016","90","","90","","90","","2052.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H88 O16 S4 -","- C96 H88 O16 S4 -","- C96 H88 O16 S4 -","1","0.25","","Zehra, Syeda Tazeen; Zhang, Guoxiang; Yang, Shuang; Fang, Xinqiang","Kinetic resolution of β-ketoesters with quaternary stereocenters via a carbene-catalyzed benzoin reaction.","Organic & biomolecular chemistry","2019","17","8","2169","2173","10.1039/c8ob02468e","","","0.71073","MoKα","","0.0417","0.0402","","","0.1104","0.1122","","","","","","1.033","","","","has coordinates","225093","2020-10-21","18:00:00",""
"7156662","25.1245","0.0004","17.8586","0.0003","7.11686","0.0001","90","","90","","90","","3193.25","0.09","100","0.4","100","0.4","","","","","","","Marine Fungi","3","I b a 2","I 2 -2c","45","Versispiroketal A","(1'R,2R,7'S)-4,5',7'-trihydroxy-2',6,7'-trimethylspiro[benzo[d][1,3]dioxole-2,8'-bicyclo[3.2.1]octan]-2'-en-4'-one","","- C17 H20 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Salendra, Limbadri; Luo, Xiaowei; Lin, Xiuping; Wang, Junfeng; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Versispiroketal A, an unusual tetracyclic bridged spiroketal from the sponge-associated fungus Aspergillus versicolor SCSIO 41013.","Organic & biomolecular chemistry","2019","17","8","2182","2186","10.1039/c9ob00110g","","x-ray","1.54184","CuKα","","0.0363","0.0345","","","0.0897","0.091","","","","","","1.043","","","","has coordinates","225087","2020-10-21","18:00:00",""
"7156663","7.3505","0.0004","15.9493","0.0009","13.0154","0.0008","90","","95.358","0.003","90","","1519.2","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H9 Br F N O3 -","- C19 H9 Br F N O3 -","- C76 H36 Br4 F4 N4 O12 -","4","1","","Mphahlele, Malose J.; Mmonwa, Mmakwena M.","Vilsmeier-Haack reaction of 7-acetyl-2-arylindoles: a convenient method for the synthesis of 6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-1,5-dicarbaldehydes.","Organic & biomolecular chemistry","2019","17","8","2204","2211","10.1039/c8ob03040e","","","0.56086","AgKα","","0.0599","0.0379","","","0.0739","0.081","","","","","","1.045","","","","has coordinates,has disorder","225083","2020-10-21","18:00:00",""
"7156664","36.5813","0.0018","6.2452","0.0003","13.6063","0.0007","90","","91.068","0.004","90","","3107.9","0.3","170","2","169.96","","","","","","","","","4","C 1 2 1","C 2y","5","Abinukitrine A","","","- C35 H49 N O4 -","- C35 H49 N O4 -","- C140 H196 N4 O16 -","4","1","","Li, Yong-Li; Xue, Li-Jun; Li, Jie; Chen, Li-Ming; Wu, Jian-Jun; Xu, Zhuo-Ni; Chen, Ying; Tian, Yu-Ping; Yang, Xian-Wen","Abinukitrine A, a unique 17,18-cyclolanostane triterpenoid from Abies nukiangensis.","Organic & biomolecular chemistry","2019","17","8","2107","2109","10.1039/c8ob03117g","","","1.34139","GaKα","","0.0373","0.0355","","","0.0892","0.0908","","","","","","1.052","","","","has coordinates","225084","2020-10-21","18:00:00",""
"7156665","16.3438","0.0002","12.83299","0.00016","10.54089","0.00014","90","","107.083","0.0014","90","","2113.3","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Pang, Yadong; Liang, Guoduan; Xie, Fukai; Hu, Haibin; Du, Chuan; Zhang, Xinhang; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang","N-Fluorobenzenesulfonimide as a highly effective Ag(i)-catalyst attenuator for tryptamine-derived ynesulfonamide cycloisomerization.","Organic & biomolecular chemistry","2019","17","8","2247","2257","10.1039/c9ob00059c","","","1.54184","CuKα","","0.0378","0.0343","","","0.0848","0.0879","","","","","","1.053","","","","has coordinates","225086","2020-10-21","18:00:00",""
"7156666","15.2261","0.0008","4.4752","0.0003","22.3479","0.0012","90","","102.846","0.006","90","","1484.67","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F4 N4 S -","- C16 H8 F4 N4 S -","- C64 H32 F16 N16 S4 -","4","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","x-ray","0.71073","MoKα","","0.046","0.0396","","","0.0998","0.1048","","","","","","1.034","","","","has coordinates","225218","2020-10-21","18:00:00",""
"7156667","14.8813","0.0008","8.3305","0.0005","18.5422","0.0012","90","","90","","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H0.12 N4 S -","- C12 H10 N4 S -","- C96 H80 N32 S8 -","8","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","","0.71073","MoKα","","0.0932","0.0615","","","0.1565","0.1756","","","","","","1.053","","","","has coordinates","225218","2020-10-21","18:00:00",""
"7156668","8.9724","0.0003","17.884","0.0007","18.7581","0.0007","71.649","0.004","78.938","0.003","75.953","0.003","2749.6","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Cl2 N4 O12 -","- C58 H64 Cl2 N4 O12 -","- C116 H128 Cl4 N8 O24 -","2","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","1.54184","CuKα","","0.0751","0.0543","","","0.1458","0.1644","","","","","","1.018","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156669","13.3255","0.0006","13.5278","0.0006","17.7443","0.0008","90.033","0.003","100.915","0.004","105.148","0.004","3027.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H78.5 N6 O20.25 -","- C58 H78 N6 O20.25 -","- C116 H156 N12 O40.5 -","2","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0729","0.0468","","","0.0975","0.1109","","","","","","1.021","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156670","28.3764","0.0009","22.9821","0.0008","26.0316","0.001","90","","110.512","0.004","90","","15900.2","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C75 H106 Ag F3 N6 O21 S -","- C59 H66 Ag F3 N6 O17 S -","- C472 H528 Ag8 F24 N48 O136 S8 -","8","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0999","0.0751","","","0.2218","0.2435","","","","","","1.023","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156671","11.4706","0.0001","12.9944","0.0001","17.0882","0.0001","90","","95.055","0.001","90","","2537.15","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,3aR,9bR)-3a-(2-oxo-2-phenylethyl)-3-phenyl-3,3a,4',5'-tetrahydro-1H,2'H-spiro[chromeno[4,3-b]pyrrole-2,3'-furan]-2',4(9bH)-dione","","- C29 H25 Cl2 N O5 -","- C29 H25 Cl2 N O5 -","- C116 H100 Cl8 N4 O20 -","4","2","","Kowalczyk-Dworak, Dorota; Albrecht, Łukasz","α,β-Unsaturated butenolides in an organocatalytic doubly annulative cascade for the preparation of 3,4-dihydrocoumarins.","Organic & biomolecular chemistry","2019","17","10","2624","2628","10.1039/c9ob00068b","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0866","0.0867","","","","","","0.907","","","","has coordinates","225041","2020-10-21","18:00:00",""
"7156672","5.4276","0.0004","9.6873","0.0007","10.8442","0.0008","69.319","0.006","82.283","0.006","83.399","0.005","527.2","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","2-phenylthieno[3,2-c]pyridine-4,6,7(5H)-trione","Compound 3","","- C13 H7 N O3 S -","- C13 H7 N O3 S -","- C26 H14 N2 O6 S2 -","2","1","","Tasker, Nikhil R.; Rastelli, Ettore J.; Blanco, Isabella K.; Burnett, James C.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors.","Organic & biomolecular chemistry","2019","17","9","2448","2466","10.1039/c9ob00025a","","","1.54178","CuKα","","0.0621","0.0438","","","0.1068","0.1164","","","","","","1.034","","","","has coordinates","225219","2020-10-21","18:00:00",""
"7156673","11.8058","0.0008","12.6003","0.0011","19.4463","0.0012","90","","90","","90","","2892.8","0.4","108.2","0.14","108.2","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O10 -","- C31 H38 O10 -","- C124 H152 O40 -","4","1","","He, Jun; Xu, Jie-Kun; Zhang, Jia; Bai, Hong-Jin; Ma, Bing-Zhi; Cheng, Yung-Chi; Zhang, Wei-Ku","Fischeriana A, a meroterpenoid with an unusual 6/6/5/5/5/6/6 heptacyclic carbon skeleton from the roots of Euphorbia fischeriana.","Organic & biomolecular chemistry","2019","17","10","2721","2724","10.1039/c9ob00013e","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.0944","0.0973","","","","","","1.024","","","","has coordinates","225051","2020-10-21","18:00:00",""
"7156674","9.8708","0.0004","40.1183","0.0017","9.9473","0.0005","90","","90","","90","","3939.1","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H14 Cl I N2 O S -","- C22 H14 Cl I N2 O S -","- C176 H112 Cl8 I8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On water: iodine-mediated direct construction of 1,3-benzothiazines from ortho-alkynylanilines by regioselective 6-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2657","2662","10.1039/c9ob00128j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1418","0.1766","","","","","","1.026","","","","has coordinates","225043","2020-10-21","18:00:00",""
"7156675","10.7279","0.0004","9.5705","0.0003","14.6231","0.0005","90","","95.351","0.003","90","","1494.83","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 S -","- C17 H24 S -","- C68 H96 S4 -","4","1","","Urriolabeitia, Esteban P.; Ruiz, Sara","Ru(ii)-Catalysed synthesis of (1H)-isothiochromenes by oxidative coupling of benzylthioethers with internal alkynes.","Organic & biomolecular chemistry","2019","17","9","2542","2547","10.1039/c8ob03201g","","","0.71073","MoKα","","0.0858","0.0506","","","0.104","0.1243","","","","","","1.03","","","","has coordinates","225221","2020-10-21","18:00:00",""
"7156676","11.677","0.004","12.61","0.004","16.02","0.005","90","","99.578","0.013","90","","2326","1.3","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 I N4 O -","- C25 H31 I N4 O -","- C100 H124 I4 N16 O4 -","4","1","","Jaffett, Victor A.; Nerurkar, Alok; Cao, Xufeng; Guzei, Ilia A.; Golden, Jennifer E.","Telescoped synthesis of C3-functionalized (E)-arylamidines using Ugi-Mumm and regiospecific quinazolinone rearrangements.","Organic & biomolecular chemistry","2019","17","12","3118","3128","10.1039/c9ob00073a","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0494","0.0506","","","","","","1.031","","","","has coordinates","225302","2020-10-21","18:00:00",""
"7156677","5.7177","0.0005","7.7029","0.0006","35.315","0.003","90","","90","","90","","1555.4","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Sengoku, Tetsuya; Ikeda, Ikuhei; Ai, Keisuke; Takahashi, Masaki; Yoda, Hidemi","Indium- and zinc-catalyzed enantioselective amide propargylation of aldehydes with stannylated allenyl amides.","Organic & biomolecular chemistry","2019","17","10","2614","2618","10.1039/c9ob00040b","","","0.71075","MoKα","","0.0491","0.0461","","","0.1235","0.1286","","","","","","1.077","","","","has coordinates","225047","2020-10-21","18:00:00",""
"7156678","8.624","0.003","8.992","0.003","13.312","0.004","92.425","0.005","103.464","0.005","118.016","0.004","872.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C44 H34 N6 O2 -","2","1","","Hu, Fangpeng; Cui, Xinfeng; Ban, Zihui; Lu, Guoqiang; Luo, Nan; Huang, Guosheng","Synthesis of quinazolin-4(1H)-ones via amination and annulation of amidines and benzamides.","Organic & biomolecular chemistry","2019","17","9","2356","2360","10.1039/c9ob00020h","","","0.71073","MoKα","","0.0684","0.0484","","","0.1301","0.1463","","","","","","1","","","","has coordinates","225214","2020-10-21","18:00:00",""
"7156679","9.7345","0.0003","14.0642","0.0004","13.0475","0.0004","90","","91.839","0.003","90","","1785.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Yan, Xuebin; Shao, Pei; Song, Xixi; Zhang, Chaofei; Lu, Chang; Liu, Songtao; Li, Yanli","Chemoselective syntheses of spirodihydrofuryl and spirocyclopropyl barbiturates via cascade reactions of barbiturate-based olefins and acetylacetone.","Organic & biomolecular chemistry","2019","17","10","2684","2690","10.1039/c9ob00004f","","x-ray","1.54184","CuKα","","0.0587","0.0484","","","0.1375","0.1493","","","","","","1.026","","","","has coordinates","225050","2020-10-21","18:00:00",""
"7156680","10.4959","0.0012","20.229","0.002","11.8444","0.0014","90","","96.215","0.002","90","","2500","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C120 H128 N8 O20 -","4","1","","Pesquet, Anthony; Marzag, Hamid; Knorr, Michael; Strohmann, Carsten; Lawson, Ata Martin; Ghinet, Alina; Dubois, Joëlle; Amaury, Farce; Daïch, Adam; Othman, Mohamed","Access to 3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species: a new family of potent farnesyltransferase inhibitors.","Organic & biomolecular chemistry","2019","17","10","2798","2808","10.1039/c8ob02612b","","","0.71073","MoKα","","0.0579","0.0511","","","0.1246","0.1291","","","","","","1.067","","","","has coordinates","225052","2020-10-21","18:00:00",""
"7156681","9.6654","0.0018","5.3717","0.0012","17.065","0.003","90","","95.42","0.018","90","","882","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O3 -","- C19 H21 Br O3 -","- C38 H42 Br2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1239","0.0709","","","","0.2044","","","","","","1.0588","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156682","8.2235","0.0006","15.8364","0.0013","17.2177","0.0013","90","","90","","90","","2242.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0792","0.0551","","","","0.1265","","","","","","1.0707","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156683","9.3718","0.0009","5.8521","0.0004","16.3645","0.0014","90","","106.047","0.009","90","","862.54","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C38 H42 Cl2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0846","0.0634","","","","0.1482","","","","","","1.0266","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156684","9.3173","0.0007","10.8597","0.0009","22.3122","0.0019","90","","90","","90","","2257.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0696","0.0484","","","","0.0972","","","","","","1.0772","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156685","5.8561","0.0005","8.9674","0.0008","10.0618","0.0009","94.232","0.007","97.739","0.007","98.721","0.007","515.12","0.08","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C24 H23 Br O3 -","1","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","MoKα","","0.0618","0.045","","","0.0997","0.1119","","","","","","1.089","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156686","8.8657","0.0009","10.5557","0.0009","18.97","0.002","90","","90","","90","","1775.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C76 H84 Cl4 O12 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1129","0.0699","","","","0.2009","","","","","","0.9575","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156687","8.5827","0.0007","11.8639","0.001","12.5606","0.001","74.85","0.002","89.545","0.002","88.331","0.002","1234","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","2","","Liu, Teng; Ji, Yi-Gang; Wu, Lei","tert-Butyl nitrite-mediated radical cyclization of tetrazole amines and alkynes toward tetrazolo[1,5-a]quinolines.","Organic & biomolecular chemistry","2019","17","10","2619","2623","10.1039/c9ob00169g","","","0.71073","MoKα","","0.0809","0.0523","","","0.1452","0.1645","","","","","","1.067","","","","has coordinates","225046","2020-10-21","18:00:00",""
"7156688","6.5026","0.0001","13.1145","0.0002","21.4093","0.0003","90","","90","","90","","1825.75","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O8 -","- C20 H24 O8 -","- C80 H96 O32 -","4","1","","Liu, Hong-Xin; Tan, Hai-Bo; Chen, Kai; Zhao, Li-Yun; Chen, Yu-Chan; Li, Sai-Ni; Li, Hao-Hua; Zhang, Wei-Min","Cytosporins A-D, novel benzophenone derivatives from the endophytic fungus Cytospora rhizophorae A761.","Organic & biomolecular chemistry","2019","17","9","2346","2350","10.1039/c8ob03223h","","x-ray","1.54184","CuKα","","0.0283","0.0275","","","0.0724","0.0729","","","","","","1.068","","","","has coordinates","225217","2020-10-21","18:00:00",""
"7156689","11.1279","0.0002","6.767","0.0001","29.5619","0.0004","90","","97.073","0.001","90","","2209.14","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N O6 S -","- C25 H27 N O5 S -","- C100 H108 N4 O20 S4 -","4","1","","Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.","Convenient access to 5-membered cyclic iminium ions: evidence for a stepwise [4 + 2] cycloaddition mechanism.","Organic & biomolecular chemistry","2019","17","10","2705","2714","10.1039/c9ob00262f","","","1.54184","CuKα","","0.0361","0.0325","","","0.085","0.0874","","","","","","0.869","","","","has coordinates","225042","2020-10-21","18:00:00",""
"7156690","39.9997","0.0016","39.9997","0.0016","7.8237","0.0005","90","","90","","90","","12517.7","1.1","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","1,3-dimethyl-4,5-bis(2-methyl-5-(4-vinylphenyl)thiophen-3-yl)-1H-imidazol-3-ium hexafluorophosphate","","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C500 H472 Cl8 F96 N32 P16 S32 -","16","1","","Joo, Wontae; Bielawski, Christopher W.","Design, synthesis and study of a photochromic α,ω-diene: toward new classes of photoswitchable polymers.","Organic & biomolecular chemistry","2019","17","9","2486","2491","10.1039/c9ob00049f","","","1.54184","CuKα","","0.1024","0.0689","","","0.132","0.1477","","","","","","1.089","","","","has coordinates,has disorder","225220","2020-10-21","18:00:00",""
"7156691","7.613","0.003","15.188","0.005","17.464","0.006","77.323","0.005","84.333","0.004","89.849","0.005","1960.1","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O6 S -","- C20 H22 N2 O6 S -","- C80 H88 N8 O24 S4 -","4","2","","Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.","Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.","Organic & biomolecular chemistry","2019","17","10","2753","2758","10.1039/c9ob00003h","","","0.71073","MoKα","","0.119","0.0954","","","0.2547","0.2687","","","","","","1.151","","","","has coordinates","225044","2020-10-21","18:00:00",""
"7156692","9.5182","0.0015","9.9604","0.0015","10.7803","0.0017","89.926","0.004","89.896","0.004","89.878","0.004","1022","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C42 H48 N4 O12 S2 -","2","1","","Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.","Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.","Organic & biomolecular chemistry","2019","17","10","2753","2758","10.1039/c9ob00003h","","","0.71073","MoKα","","0.0761","0.0624","","","0.1522","0.1637","","","","","","0.947","","","","has coordinates","225044","2020-10-21","18:00:00",""
"7156693","8.9412","0.0015","11.6147","0.0019","11.727","0.002","92.06","0.005","111.91","0.005","102.119","0.005","1095.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C48 H54 N2 O6 S2 -","2","1","","Yan, Fachao; Liang, Hanbing; Ai, Bing; Liang, Wenjing; Jiao, Luyang; Yao, Shuzhi; Zhao, Pingping; Liu, Qing; Dong, Yunhui; Liu, Hui","Palladium-catalyzed intermolecular [4 + 2] formal cycloaddition with (Z)-3-iodo allylic nucleophiles and allenamides.","Organic & biomolecular chemistry","2019","17","10","2651","2656","10.1039/c8ob03072c","","","0.71073","MoKα","","0.0904","0.0453","","","0.1017","0.12","","","","","","1.003","","","","has coordinates","225049","2020-10-21","18:00:00",""
"7156694","6.5334","0.0007","16.5353","0.0019","9.6045","0.0011","90","","99.396","0.004","90","","1023.7","0.2","297","2","297.05","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10.5 H10 N O3.5 -","- C10.5 H10 N O3.5 -","- C42 H40 N4 O14 -","4","2","","Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong","Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.","Organic & biomolecular chemistry","2019","17","11","2883","2886","10.1039/c9ob00330d","","","0.71073","MoKα","","0.0678","0.0663","","","0.1825","0.1842","","","","","","1.071","","","","has coordinates,has disorder","225287","2020-10-21","18:00:00",""
"7156695","7.021","0.009","20.14","0.03","21.54","0.03","90","","95.79","0.02","90","","3030","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","2","","Guduru, Ravinder; Mangina, N. S. V. M. Rao; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed formation of aryl-fused pyrazolooxazepines via intramolecular regioselective 7-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2809","2817","10.1039/c8ob03157f","","","0.71073","MoKα","","0.0586","0.0453","","","0.1109","0.1183","","","","","","1.021","","","","has coordinates","225048","2020-10-21","18:00:00",""
"7156696","15.43","0.003","8.5473","0.0014","20.666","0.003","90","","127.448","0.009","90","","2163.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O2 P -","- C27 H21 O2 P -","- C108 H84 O8 P4 -","4","1","","Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei","Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.","Organic & biomolecular chemistry","2019","17","11","2972","2984","10.1039/c9ob00129h","","","0.71073","MoKα","","0.0962","0.0667","","","0.1966","0.2242","","","","","","1.054","","","","has coordinates","225288","2020-10-21","18:00:00",""
"7156697","11.624","0.002","16.463","0.003","10.9887","0.0018","90","","105.891","0.002","90","","2022.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 O3 P -","- C20 H33 O3 P -","- C80 H132 O12 P4 -","4","1","","Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei","Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.","Organic & biomolecular chemistry","2019","17","11","2972","2984","10.1039/c9ob00129h","","","0.71073","MoKα","","0.0575","0.0472","","","0.1318","0.1386","","","","","","1.08","","","","has coordinates","225288","2020-10-21","18:00:00",""
"7156698","16.8122","0.0006","5.9942","0.0002","21.1564","0.0007","90","","103.421","0.001","90","","2073.83","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0491","0.0482","","","0.126","0.127","","","","","","1.054","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156699","6.873","0.0007","18.4289","0.0018","20.6056","0.0019","85.901","0.005","88.492","0.005","84.225","0.005","2589.6","0.4","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H84 O10 Si2 -","- C48 H84 O10 Si2 -","- C96 H168 O20 Si4 -","2","1","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0553","0.0465","","","0.13","0.1368","","","","","","1.049","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156700","20.301","0.001","8.1121","0.0004","34.9928","0.0017","90","","90","","90","","5762.7","0.5","150","2","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H43 N O6 Si2 -","- C24 H43 N O6 Si2 -","- C192 H344 N8 O48 Si16 -","8","2","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0819","0.0731","","","0.1834","0.1922","","","","","","1.088","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156701","12.4079","0.0007","12.825","0.0007","12.9266","0.0008","97.287","0.005","100.642","0.005","93.026","0.005","1999.2","0.2","298.84","0.1","298.84","0.1","","","","","","","","7","P 1","P 1","1","","","","- C25 H22 Br F3 N2 O5 S -","- C25 H22 Br F3 N2 O5 S -","- C75 H66 Br3 F9 N6 O15 S3 -","3","3","","Li, Boyu; Liu, Jikun; Gao, Fengyun; Sun, Mengmeng; Guo, Yifei; Zhou, Yuan; Wen, Dongwa; Deng, Yabo; Chen, Hui; Wang, Kairong; Yan, Wenjin","The asymmetric construction of CF<sub>3</sub>-containing spiro-thiazolone-pyrrolidine compounds via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","11","2892","2895","10.1039/c9ob00325h","","x-ray","0.71073","MoKα","","0.1146","0.0553","","","0.0815","0.1032","","","","","","0.999","","","","has coordinates","225286","2020-10-21","18:00:00",""
"7156702","9.1355","0.0004","13.633","0.0005","18.2466","0.0007","90","","101.056","0.004","90","","2230.33","0.16","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N2 O2 -","- C28 H25 N2 O2 -","- C112 H100 N8 O8 -","4","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1458","0.1548","","","","","","1.086","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156703","13.785","0.003","9.6814","0.0019","17.39","0.004","90","","106.75","0.03","90","","2222.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","","0.71073","MoKα","","0.0929","0.0625","","","0.1468","0.1663","","","","","","0.995","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156704","10.4057","0.0005","10.8124","0.0008","13.1072","0.0008","103.696","0.006","104.327","0.005","102.121","0.005","1330.51","0.16","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C68 H56 N4 O4 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","0.71073","MoKα","","0.0689","0.0491","","","0.1154","0.1276","","","","","","1.051","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156705","12.5063","0.0003","13.3807","0.0002","16.7023","0.0003","68.356","0.002","80.275","0.002","62.538","0.002","2305.2","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","2","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","1.54184","CuKα","","0.0502","0.0479","","","0.1371","0.1395","","","","","","1.069","","","","has coordinates,has disorder","225301","2020-10-21","18:00:00",""
"7156706","9.8542","0.0002","10.4047","0.0002","11.6372","0.0002","112.543","0.001","94.288","0.001","106.465","0.001","1033.89","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C54 H38 N6 O2 -","2","1","","Guo, Tao; Fu, Xiang-Heng; Zhang, Miao; Li, Yu-Liu; Ma, Yong-Cheng","Catalyst-free direct cross-dehydrogenative coupling of imidazoheterocycles with glyoxal hydrates: an efficient approach to 1,2-diketones.","Organic & biomolecular chemistry","2019","17","12","3150","3158","10.1039/c9ob00095j","","","1.54178","","","0.0438","0.0378","","","0.0992","0.1053","","","","","","1.052","","","","has coordinates","225299","2020-10-21","18:00:00",""
"7156707","16.7865","0.0006","18.0322","0.0008","18.9289","0.0007","90","","99.888","0.001","90","","5644.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 B Cl2 F24 Se -","- C59 H47 B Cl2 F24 Se -","- C236 H188 B4 Cl8 F96 Se4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0481","0.0326","","","0.0685","0.075","","","","","","1.043","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156708","7.9846","0.0003","15.1323","0.0005","12.2645","0.0004","90","","90","","90","","1481.86","0.09","115","2","115","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H14 Br2 Se -","- C14 H14 Br2 Se -","- C56 H56 Br8 Se4 -","4","0.5","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0236","0.0187","","","0.0417","0.0434","","","","","","1.064","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156709","22.637","0.0013","8.9594","0.0005","18.7848","0.0011","90","","95.8","0.004","90","","3790.3","0.4","106","2","106","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Se -","- C23 H28 Se -","- C184 H224 Se8 -","8","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.0568","0.0411","","","0.102","0.1092","","","","","","0.96","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156710","13.7859","0.0005","28.6706","0.001","14.2244","0.0005","90","","104.535","0.001","90","","5442.3","0.3","116","2","116","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H47 B F24 Se -","- C59 H47 B F24 Se -","- C236 H188 B4 F96 Se4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0605","0.0418","","","0.0816","0.0878","","","","","","1.057","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156711","12.6757","0.0005","13.1647","0.0005","16.7688","0.0006","84.782","0.001","73.312","0.001","82.574","0.001","2653.63","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H49 B F24 Se -","- C56 H49 B F24.003 Se -","- C112 H98 B2 F48.006 Se2 -","2","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.0381","0.0363","","","0.0907","0.0919","","","","","","1.025","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156712","20.0832","0.0007","17.7513","0.0006","17.4707","0.0006","90","","114.811","0.001","90","","5653.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 B Cl2 F24 S -","- C59 H47 B Cl2 F24 S -","- C236 H188 B4 Cl8 F96 S4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.054","0.0459","","","0.1042","0.1092","","","","","","1.032","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156713","10.141","0.0014","10.4626","0.0013","19.267","0.003","90","","90","","90","","2044.3","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl N -","- C26 H22 Cl N -","- C104 H88 Cl4 N4 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0363","0.0326","","","0.095","0.1037","","","","","","1.134","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156714","10.8507","0.0008","8.1358","0.0005","25.379","0.002","90","","93.054","0.003","90","","2237.3","0.3","300","2","300","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C28 H24 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0706","0.0612","","","0.1641","0.1712","","","","","","1.042","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156715","10.3117","0.0011","10.8487","0.0011","13.8774","0.0012","69.647","0.005","87.597","0.005","63.669","0.005","1292.8","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C64 H48 N4 O8 -","2","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.144","0.0595","","","0.1368","0.1618","","","","","","1.03","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156716","8.2333","0.0003","9.5236","0.0004","16.9935","0.0007","75.145","0.003","76.297","0.003","83.645","0.003","1249.51","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C66 H54 N2 O4 -","2","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.1159","0.0581","","","0.1174","0.1425","","","","","","0.979","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156717","5.0331","0.0003","12.9922","0.0008","17.1983","0.0011","90","","93.403","0.002","90","","1122.63","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-5-(3,4-dimethoxybenzylidene)-2-((2-oxo-2-phenylethyl)selanyl)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H22 N2 O4 Se -","- C26 H22 N2 O4 Se -","- C52 H44 N4 O8 Se2 -","2","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0394","0.0335","","","0.0644","0.0658","","","","","","1.077","","","","has coordinates,has disorder","225289","2020-10-21","18:00:00",""
"7156718","14.9997","0.0015","8.0616","0.0007","20.034","0.002","90","","107.259","0.004","90","","2313.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3,4-dimethoxybenzyl)-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0986","0.076","","","0.1852","0.2052","","","","","","1.01","","","","has coordinates","225289","2020-10-21","18:00:00",""
"7156719","6.8836","0.0003","7.0346","0.0003","13.579","0.0005","88.344","0.003","89.963","0.003","79.153","0.004","645.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Br N S2 -","- C15 H8 Br N S2 -","- C30 H16 Br2 N2 S4 -","2","1","","Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng","Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.","Organic & biomolecular chemistry","2019","17","13","3424","3432","10.1039/c9ob00377k","","x-ray","0.71073","MoKα","","0.0289","0.0268","","","0.0644","0.0657","","","","","","1.086","","","","has coordinates","225195","2020-10-21","18:00:00",""
"7156720","4.2674","0.0003","12.9135","0.0008","13.473","0.0008","77.893","0.005","87.653","0.005","86.789","0.005","724.48","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 F3 N S3 -","- C16 H8 F3 N S3 -","- C32 H16 F6 N2 S6 -","2","1","","Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng","Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.","Organic & biomolecular chemistry","2019","17","13","3424","3432","10.1039/c9ob00377k","","x-ray","0.71073","MoKα","","0.0402","0.035","","","0.0812","0.0855","","","","","","1.055","","","","has coordinates","225195","2020-10-21","18:00:00",""
"7156721","8.9287","0.0018","19.324","0.004","9.833","0.002","90","","110.58","0.03","90","","1588.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O2 -","- C16 H19 N5 O2 -","- C64 H76 N20 O8 -","4","1","","Zakharova, Elena A.; Shmatova, Olga I.; Kutovaya, Irina V.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of macrocyclic peptidomimetics via the Ugi-click-strategy.","Organic & biomolecular chemistry","2019","17","13","3433","3445","10.1039/c9ob00229d","","","0.9699","synchrotron","","0.1099","0.0825","","","0.1707","0.1881","","","","","","0.959","","","","has coordinates","225197","2020-10-21","18:00:00",""
"7156722","9.7321","0.0006","12.1142","0.0007","16.7703","0.001","85.618","0.002","85.655","0.002","70.199","0.002","1852.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,10,15-tris(4'-methoxyphenyl)-5-(2''-pyrrolyl)isocorrole","","- C45 H37 Cl2 N5 O3 -","- C45 H37 Cl2 N5 O3 -","- C90 H74 Cl4 N10 O6 -","2","1","","Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik","Rapid one-pot synthesis of pyrrole-appended isocorroles.","Organic & biomolecular chemistry","2019","17","12","3159","3166","10.1039/c9ob00168a","","","0.7749","synchrotron","","0.097","0.0814","","","0.1996","0.2088","","","","","","1.137","","","","has coordinates,has disorder","225297","2020-10-21","18:00:00",""
"7156723","11.1767","0.0016","11.631","0.0016","15.297","0.002","104.788","0.003","91.215","0.003","96.469","0.003","1907.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Copper(II) 5,10,15-tris(4'-methoxyphenyl)-10-(2''-pyrrolyl)isocorrole","","- C45 H34 Cl3 Cu N5 O3 -","- C44.9929 H33.9929 Cl2.9787 Cu N5 O3 -","- C89.9858 H67.9858 Cl5.9574 Cu2 N10 O6 -","2","1","","Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik","Rapid one-pot synthesis of pyrrole-appended isocorroles.","Organic & biomolecular chemistry","2019","17","12","3159","3166","10.1039/c9ob00168a","","","0.7749","synchrotron","","0.0842","0.0698","","","0.1939","0.2105","","","","","","1.026","","","","has coordinates,has disorder","225297","2020-10-21","18:00:00",""
"7156724","8.4665","0.0008","9.9099","0.0008","20.0858","0.0016","94.466","0.007","93.734","0.007","95.165","0.007","1668.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N2 O6 S2 -","- C40 H30 N2 O6 S2 -","- C80 H60 N4 O12 S4 -","2","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.1371","0.0664","","","0.1426","0.1849","","","","","","1.034","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156725","13.1858","0.0004","8.0088","0.0002","15.5088","0.0004","90","","107.498","0.003","90","","1561.98","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.0955","0.0576","","","0.1391","0.1623","","","","","","1.063","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156726","13.2102","0.0005","11.1069","0.0003","15.6812","0.0006","90","","106.801","0.004","90","","2202.6","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.75 H22.5 F2 N O4 S2 -","- C24 H20 F N O5 S2 -","- C96 H80 F4 N4 O20 S8 -","4","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.0759","0.0534","","","0.14","0.1635","","","","","","1.059","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156727","7.8813","0.0004","9.4987","0.0005","13.5549","0.0007","95.706","0.004","92.226","0.004","91.5","0.004","1008.5","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 I N O2 S Se -","- C21 H18 I N O2 S Se -","- C42 H36 I2 N2 O4 S2 Se2 -","2","1","","Zeng, Xianghua; Chen, Lu","Organo-selenium mediated regio- and stereoselective iodoselenylation of alkynes in an aqueous medium: simple access to (E)-β-iodoalkenyl selenides.","Organic & biomolecular chemistry","2019","17","13","3338","3342","10.1039/c9ob00524b","","x-ray","0.71073","MoKα","","0.0387","0.0316","","","0.0653","0.0694","","","","","","1.018","","","","has coordinates","225201","2020-10-21","18:00:00",""
"7156728","9.8651","0.0004","18.4812","0.0009","11.3374","0.0006","90","","107.506","0.005","90","","1971.29","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Ren, Linning; Wang, Manman; Fang, Benyao; Yu, Wenquan; Chang, Junbiao","Iodine-mediated oxidative N-N coupling of secondary amines to hydrazines.","Organic & biomolecular chemistry","2019","17","13","3446","3450","10.1039/c9ob00279k","","x-ray","1.54184","CuKα","","0.0649","0.0487","","","0.1316","0.1474","","","","","","1.028","","","","has coordinates","225199","2020-10-21","18:00:00",""
"7156729","17.424","0.003","12.1","0.002","19.028","0.003","90","","101.189","0.004","90","","3935.4","1.1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl N O -","- C24 H22 Cl N O -","- C192 H176 Cl8 N8 O8 -","8","1","","Wu, Qiong; Li, Gui-Lin; Yang, Shuang; Shi, Xiao-Qin; Huang, Tian-Zi; Du, Xi-Hua; Chen, Yan","A chemo- and regioselective C6-functionalization of 2,3-disubstituted indoles: highly efficient synthesis of diarylindol-6-ylmethanes.","Organic & biomolecular chemistry","2019","17","13","3462","3470","10.1039/c9ob00283a","","","0.71073","MoKα","","0.1218","0.0478","","","0.1126","0.145","","","","","","1","","","","has coordinates,has disorder","225198","2020-10-21","18:00:00",""
"7156730","8.7751","0.0005","13.7237","0.0007","14.599","0.001","90","","101.524","0.006","90","","1722.67","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun","Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.","Organic & biomolecular chemistry","2019","17","13","3343","3347","10.1039/c9ob00159j","","x-ray","0.71073","MoKα","","0.0606","0.0464","","","0.0981","0.107","","","","","","1.056","","","","has coordinates","225196","2020-10-21","18:00:00",""
"7156731","8.8758","0.0008","14.7297","0.0012","11.9629","0.0011","90","","101.831","0.009","90","","1530.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun","Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.","Organic & biomolecular chemistry","2019","17","13","3343","3347","10.1039/c9ob00159j","","x-ray","0.71073","MoKα","","0.062","0.0482","","","0.1047","0.1144","","","","","","1.029","","","","has coordinates","225196","2020-10-21","18:00:00",""
"7156732","8.209","0.002","9.719","0.003","12.587","0.005","111.424","0.006","104.496","0.007","96.556","0.004","881.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","1","1","","- C18 H6 B F5 N2 O0 S4 -","- C18 H6 B F5 N2 S4 -","- C36 H12 B2 F10 N4 S8 -","2","1","","Sun, Yijuan; Qu, Zhirong; Zhou, Zhikuan; Gai, Lizhi; Lu, Hua","Thieno[3,2-b]thiophene fused BODIPYs: synthesis, near-infrared luminescence and photosensitive properties.","Organic & biomolecular chemistry","2019","17","14","3617","3622","10.1039/c9ob00030e","","","0.71073","MoKα","","0.0804","0.0443","","","0.1154","0.1543","","","","","","1.095","","","","has coordinates","225203","2020-10-21","18:00:00",""
"7156733","5.103","0.0001","24.0246","0.0003","13.7034","0.0002","90","","98.635","0.001","90","","1660.96","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 F N2 O6 -","- C15 H19 F N2 O6 -","- C60 H76 F4 N8 O24 -","4","2","","Zhu, Liping; Xiong, Jiale; An, Junkai; Chen, Nannan; Xue, Jijun; Jiang, Xianxing","Highly efficient regio-selective ring-opening nucleophilic fluorination of aziridines and azetidines: access to β- or γ-fluorinated amino acid derivatives.","Organic & biomolecular chemistry","2019","17","15","3797","3804","10.1039/c9ob00172g","","x-ray","1.54184","CuKα","","0.0375","0.036","","","0.0933","0.0954","","","","","","1.054","","","","has coordinates,has disorder","225242","2020-10-21","18:00:00",""
"7156734","13.5721","0.0006","12.8938","0.0008","7.9189","0.0004","90","","106.101","0.005","90","","1331.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N S -","- C14 H10 F3 N S -","- C56 H40 F12 N4 S4 -","4","1","","Qiao, Mengjun; Zhang, Jinli; Chen, Ling; Zhou, Fengyi; Zhang, Yali; Zhou, Lingfei; Wu, Yangjie","Transition metal-free α-C<sub>sp<sup>3</sup></sub>-H oxidative sulfuration of benzyl thiosulfates with anilines to form N-aryl thioamides.","Organic & biomolecular chemistry","2019","17","15","3790","3796","10.1039/c9ob00336c","","x-ray","1.54184","CuKα","","0.0764","0.061","","","0.1697","0.1865","","","","","","1.047","","","","has coordinates,has disorder","225238","2020-10-21","18:00:00",""
"7156735","28.113","0.003","13.907","0.0015","20.473","0.002","90","","94.807","0.005","90","","7976.1","1.4","90","2","90","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 I3 N2 -","- C18 H19 I3 N2 -","- C288 H304 I48 N32 -","16","4","","Johnson, Lewis E.; Kingsbury, Jason S.; Elder, Delwin L.; Cattolico, Rose Ann; Latimer, Luke N.; Hardin, William; De Meulenaere, Evelien; Deodato, Chloe; Depotter, Griet; Madabushi, Sowmya; Bigelow, Nicholas W.; Smolarski, Brittany A.; Hougen, Trevor K.; Kaminsky, Werner; Clays, Koen; Robinson, Bruce H.","DANPY (dimethylaminonaphthylpyridinium): an economical and biocompatible fluorophore.","Organic & biomolecular chemistry","2019","17","15","3765","3780","10.1039/c8ob02536c","","x-ray","0.71073","MoKα","","0.1019","0.0559","","","0.1324","0.1481","","","","","","1.061","","","","has coordinates","225237","2020-10-21","18:00:00",""
"7156736","20.6684","0.0013","20.6684","0.0013","24.235","0.002","90","","90","","120","","8965.8","1.1","216","2","216","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H110 N24 Ni6 O9 S12 -","- C81 H108 N24 Ni6 O9 S12 -","- C243 H324 N72 Ni18 O27 S36 -","3","0.166667","","Zhang, Meng-Juan; Li, Hong-Xi; Young, David J.; Li, Hai-Yan; Lang, Jian-Ping","Reaction condition controlled nickel(ii)-catalyzed C-C cross-coupling of alcohols.","Organic & biomolecular chemistry","2019","17","14","3567","3574","10.1039/c9ob00418a","","","0.71073","MoKα","","0.0798","0.0458","","","0.1163","0.1251","","","","","","1.001","","","","has coordinates","225202","2020-10-21","18:00:00",""
"7156737","16.3542","0.001","6.0255","0.0004","17.1246","0.0012","90","","98.854","0.002","90","","1667.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","Mitsunobu-initiated cascade cyclization of p-quinamines and 2-furanylmethanols: highly regio- and diastereoselective synthesis of functionalized hydrobenzo[c,d]indoles.","Organic & biomolecular chemistry","2019","17","15","3737","3740","10.1039/c9ob00585d","","","0.71073","MoKα","","0.053","0.0433","","","0.106","0.1143","","","","","","1.05","","","","has coordinates","225240","2020-10-21","18:00:00",""
"7156738","7.1904","0.0015","17.064","0.004","8.726","0.0019","90","","100.039","0.004","90","","1054.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C40 H32 Cl8 O16 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.0501","0.0388","","","0.0986","0.1066","","","","","","1.039","","","","has coordinates","225239","2020-10-21","18:00:00",""
"7156739","12.4339","0.0019","19.941","0.003","12.721","0.0019","90","","96.173","0.003","90","","3135.8","0.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H49 N O4 Si2 -","- C26 H49 N O4 Si2 -","- C104 H196 N4 O16 Si8 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.1895","0.0786","","","0.1887","0.2425","","","","","","1.014","","","","has coordinates","225239","2020-10-21","18:00:00",""
"7156740","8.84318","0.00016","8.84318","0.00016","47.459","0.0011","90","","90","","90","","3711.38","0.13","297.71","0.1","297.71","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C160 H192 O56 -","8","1","","Yang, Xing; Yuan, Po; Shui, Feng; Zhou, Yuqin; Chen, Xiaochuan","A divergent strategy to synthesize gabosines featuring a switchable two-way aldol cyclization.","Organic & biomolecular chemistry","2019","17","16","4061","4072","10.1039/c9ob00469f","","x-ray","1.54184","CuKα","","0.078","0.0745","","","0.1895","0.1909","","","","","","1.115","","","","has coordinates","225168","2020-10-21","18:00:00",""
"7156741","15.7507","0.0018","9.3997","0.0011","12.8142","0.0015","90","","93.56","0.002","90","","1893.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Jin, Li-Wen; Jiang, Fei; Chen, Ke-Wei; Du, Bai-Xiang; Mei, Guang-Jian; Shi, Feng","Phosphine-catalyzed regiospecific (3 + 2) cyclization of 3-nitroindoles with allene esters.","Organic & biomolecular chemistry","2019","17","16","3894","3901","10.1039/c9ob00432g","","","0.71073","MoKα","","0.1139","0.0715","","","0.2062","0.2455","","","","","","1.024","","","","has coordinates","225164","2020-10-21","18:00:00",""
"7156742","23.3244","0.0007","9.7484","0.0003","23.6714","0.0007","90","","107.472","0.002","90","","5134","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl N4 O2 S -","- C28 H25 Cl N4 O2 S -","- C224 H200 Cl8 N32 O16 S8 -","8","2","","Mariappan, Arumugam; Rajaguru, Kandasamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A facile one pot synthesis of thiazolo[3,2-a]benzimidazole and pyran fused polyheterocyclic scaffolds.","Organic & biomolecular chemistry","2019","17","17","4196","4199","10.1039/c9ob00300b","","","1.54178","CuKα","","0.0746","0.0549","","","0.1081","0.1168","","","","","","1.055","","","","has coordinates","225134","2020-10-21","18:00:00",""
"7156743","8.7437","0.0004","9.0981","0.0005","11.3532","0.0006","89.931","0.004","69.876","0.005","83.515","0.004","841.91","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O -","- C22 H16 Br N O -","- C44 H32 Br2 N2 O2 -","2","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","0.71073","MoKα","","0.0723","0.0469","","","0.0969","0.1055","","","","","","0.989","","","","has coordinates","225132","2020-10-21","18:00:00",""
"7156744","14.9969","0.0004","14.8584","0.0003","10.6249","0.0003","90","","110.575","0.003","90","","2216.53","0.11","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N O -","- C30 H21 N O -","- C120 H84 N4 O4 -","4","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","1.54184","CuKα","","0.0395","0.0379","","","0.0994","0.1006","","","","","","1.024","","","","has coordinates","225132","2020-10-21","18:00:00",""
"7156745","10.6454","0.001","15.8564","0.0011","9.6081","0.001","90","","112.912","0.012","90","","1493.9","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","0.71073","MoKα","","0.0885","0.0855","","","0.2156","0.2174","","","","","","1.058","","","","has coordinates","225132","2020-10-21","18:00:00",""
"7156746","7.0958","0.0006","8.4262","0.0007","11.316","0.0008","87.424","0.006","82.903","0.006","75.668","0.007","650.44","0.09","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","3-{[2-(Dimethylamino)ethyl]amino}-5-hydroxy-5-(trifluoromethyl)cyclohex-2-en-1-one","","- C11 H17 F3 N2 O2 -","- C11 H17 F3 N2 O2 -","- C22 H34 F6 N4 O4 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.","Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.","Organic & biomolecular chemistry","2019","17","17","4273","4280","10.1039/c9ob00293f","","","0.71073","MoKα","","0.1146","0.0646","","","0.1552","0.2089","","","","","","1.002","","","","has coordinates","225137","2020-10-21","18:00:00",""
"7156747","9.1257","0.0009","21.064","0.002","8.9372","0.001","90","","117.891","0.014","90","","1518.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyrrolidinium 5-Hydroxy-2-propyl-5-(trifluoromethyl)cyclohex-1-one-3-olate","","- C14 H22 F3 N O3 -","- C14 H22 F3 N O3 -","- C56 H88 F12 N4 O12 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.","Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.","Organic & biomolecular chemistry","2019","17","17","4273","4280","10.1039/c9ob00293f","","","0.71073","MoKα","","0.1277","0.0666","","","0.1804","0.2429","","","","","","1.003","","","","has coordinates,has disorder","225137","2020-10-21","18:00:00",""
"7156748","19.3581","0.0002","25.0827","0.0003","6.72","0.0001","90","","90","","90","","3262.92","0.07","118.4","0.8","118.4","0.8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H29 Br N2 O5 -","- C35 H29 Br N2 O5 -","- C140 H116 Br4 N8 O20 -","4","1","","Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.","Organic & biomolecular chemistry","2019","17","16","3945","3950","10.1039/c9ob00419j","","x-ray","1.54184","CuKα","","0.0353","0.0304","","","0.0692","0.0758","","","","","","0.871","","","","has coordinates","225163","2020-10-21","18:00:00",""
"7156749","12.6579","0.0007","19.8384","0.0011","5.6765","0.0003","90","","90","","90","","1425.44","0.13","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H16 -","- C21 H16 -","- C84 H64 -","4","1","","Mato, Mauro; Martín-Torres, Inmaculada; Herlé, Bart; Echavarren, Antonio M.","Cyclopropane-alkene metathesis by gold(i)-catalyzed decarbenation of persistent cyclopropanes.","Organic & biomolecular chemistry","2019","17","17","4216","4219","10.1039/c9ob00359b","","","0.71073","MoKα","","0.0475","0.0407","","","0.1078","0.1152","","","","","","1.055","","","","has coordinates","225136","2020-10-21","18:00:00",""
"7156750","13.27","0.003","5.3525","0.0011","20.691","0.004","90","","103.956","0.004","90","","1426.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","","Shu, Wen-Ming; Wang, Shuai; Zhang, Xun-Fang; He, Jian-Xin; Wu, An-Xin","A cascade oxidation/[4 + 1] annulation of sulfonium salts for synthesis of polyfunctional furans: DMSO as one carbon source.","Organic & biomolecular chemistry","2019","17","17","4311","4316","10.1039/c9ob00443b","","","0.71073","MoKα","","0.0854","0.0502","","","0.1332","0.1574","","","","","","1.051","","","","has coordinates","225133","2020-10-21","18:00:00",""
"7156751","11.0875","0.0014","11.2228","0.0012","25.651","0.003","90","","98.141","0.004","90","","3159.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N O5 -","- C41 H29 N O5 -","- C164 H116 N4 O20 -","4","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.135","0.0646","","","0.1513","0.1802","","","","","","1.016","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156752","8.851","0.003","9.689","0.004","19.549","0.007","95.91","0.012","96.198","0.01","100.149","0.011","1627.8","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Cl N O6 -","- C39 H30 Cl N O6 -","- C78 H60 Cl2 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.0686","0.0461","","","0.1121","0.1233","","","","","","1.015","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156753","9.861","0.008","10.277","0.008","21.278","0.015","76.246","0.02","86.55","0.02","85.28","0.02","2086","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cl3 N O6 -","- C42 H26 Cl3 N O6 -","- C84 H52 Cl6 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.3149","0.1476","","","0.3565","0.4562","","","","","","1.03","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156754","10.252","0.003","11.75","0.003","15.681","0.004","99.354","0.008","103.382","0.008","103.029","0.008","1743.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F N O5 -","- C42 H30 F N O5 -","- C84 H60 F2 N2 O10 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.1367","0.0704","","","0.1748","0.2112","","","","","","1.019","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156755","8.936","0.001","11.8146","0.0014","14.0852","0.0015","88.678","0.004","73.876","0.003","86.577","0.004","1426","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N5 O3 -","- C34 H27 N5 O3 -","- C68 H54 N10 O6 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.0808","0.05","","","0.1153","0.1307","","","","","","1.025","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156756","9.6947","0.0008","10.8845","0.0008","18.8025","0.0014","80.319","0.002","80.832","0.002","72.455","0.003","1852.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H31 N O6 -","- C43 H31 N O6 -","- C86 H62 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.1256","0.0719","","","0.1883","0.2058","","","","","","1.106","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156757","6.2201","0.0007","12.705","0.0014","35.317","0.004","90","","90","","90","","2791","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl N3 O3 -","- C34 H28 Cl N3 O3 -","- C136 H112 Cl4 N12 O12 -","4","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1045","0.0512","","","0.08","0.0956","","","","","","1.015","","","","has coordinates","225135","2020-10-21","18:00:00",""
"7156758","6.871","0.003","10.77","0.005","21.856","0.011","94.578","0.01","94.404","0.01","102.422","0.013","1567.1","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cl N3 O9 -","- C33 H38 Cl N3 O9 -","- C66 H76 Cl2 N6 O18 -","2","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1566","0.0773","","","0.1769","0.2077","","","","","","1.02","","","","has coordinates,has disorder","225135","2020-10-21","18:00:00",""
"7156759","10.868","0.01","15.852","0.015","21.43","0.02","74.499","0.01","79.884","0.01","87.811","0.01","3502","6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 B Cu2 F4 N8 O4 -","- C68 H56 B Cu2 F4 N8 O4 -","- C136 H112 B2 Cu4 F8 N16 O8 -","2","1","","Harada, Kentaro; Sekiya, Ryo; Maehara, Takeshi; Haino, Takeharu","Substituent-controlled racemization of dissymmetric coordination capsules.","Organic & biomolecular chemistry","2019","17","19","4729","4735","10.1039/c9ob00388f","","","0.71073","MoKα","","0.2041","0.1819","","","0.4678","0.4807","","","","","","1.873","","","","has coordinates","225156","2020-10-21","18:00:00",""
"7156760","7.92142","0.00004","7.19257","0.00004","11.36141","0.00005","90","","97.7125","0.0004","90","","641.465","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aS,7S,10aR)-2-methoxy-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.0626","0.0626","","","","","","1.006","","","","has coordinates","225138","2020-10-21","18:00:00",""
"7156761","8.5399","0.0001","7.2817","0.0001","10.6201","0.0001","90","","105.546","0.001","90","","636.25","0.013","100","","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aR,7R,10aS)-2-Methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0556","0.0556","","","","","","1.054","","","","has coordinates","225138","2020-10-21","18:00:00",""
"7156762","7.2227","0.0009","8.8688","0.0011","9.7985","0.0013","72.745","0.002","86.41","0.003","77","0.002","584.04","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl O2 S2 -","- C12 H9 Cl O2 S2 -","- C24 H18 Cl2 O4 S4 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0539","0.0422","","","0.1267","0.1387","","","","","","0.948","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156763","7.4647","0.0005","10.1476","0.0006","14.7974","0.0009","90","","97.68","0.001","90","","1110.83","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C48 H40 O8 S8 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0293","0.0266","","","0.0742","0.0764","","","","","","1.035","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156764","7.5548","0.0005","8.985","0.0006","11.3559","0.0007","75.451","0.001","79.463","0.001","65.962","0.001","678.58","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O2 S2 -","- C15 H14 O2 S2 -","- C30 H28 O4 S4 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0408","0.0371","","","0.1001","0.1037","","","","","","1.042","","","","has coordinates,has disorder","225190","2020-10-21","18:00:00",""
"7156765","16.7044","0.0015","4.7039","0.0004","18.5969","0.0017","90","","90","","90","","1461.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0444","0.0391","","","0.0962","0.1007","","","","","","1.012","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156766","7.522","0.002","9.502","0.003","26.913","0.008","86.186","0.005","89.331","0.005","69.408","0.005","1796.6","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N2 O3.5 -","- C23 H19 N2 O3.5 -","- C92 H76 N8 O14 -","4","2","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.1079","0.1027","","","0.2634","0.2668","","","","","","1.615","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156767","8.7979","0.0018","24.844","0.005","9.454","0.0019","90","","111.09","0.03","90","","1928","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 S2 -","- C21 H22 N2 O2 S2 -","- C84 H88 N8 O8 S8 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0483","0.0392","","","0.0977","0.1041","","","","","","1.029","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156768","16.1338","0.0003","8.5259","0.0001","14.364","0.0002","90","","114.544","0.0008","90","","1797.31","0.05","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 O3 S -","- C11 H8 O3 S -","- C88 H64 O24 S8 -","8","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0358","0.0312","","","0.0887","0.0924","","","","","","1.072","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156769","7.21212","0.00009","15.4816","0.0002","26.0416","0.0003","90","","90","","90","","2907.68","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Ghosh, Arnab; Hegde, Rajeev; Makane, Vitthal B.; Sridhar, Balasubramanian; Rode, Haridas B.; Patil, Siddappa A.; Dateer, Ramesh B.","Transition metal-free functionalized hydration of alkynes: one-pot synthesis of fluorinated β-keto-imidates using Selectfluor.","Organic & biomolecular chemistry","2019","17","18","4440","4445","10.1039/c9ob00527g","","","0.71073","MoKα","","0.1954","0.0757","","","0.1242","0.1564","","","","","","1.024","","","","has coordinates","225247","2020-10-21","18:00:00",""
"7156770","8.6622","0.0001","10.7712","0.0002","11.176","0.0002","102.418","0.0005","97.3598","0.0005","113.427","0.0004","907.48","0.03","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 F N O4 -","- C23 H18 F N O4 -","- C46 H36 F2 N2 O8 -","2","1","","Shinde, Sundar S.; Laha, Soumi; Tiwari, Dharmendra K.; Sridhar, B.; Likhar, Pravin R.","A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides.","Organic & biomolecular chemistry","2019","17","16","4121","4128","10.1039/c9ob00560a","","","0.71073","MoKα","","0.053","0.0457","","","0.1261","0.1321","","","","","","1.042","","","","has coordinates","225170","2020-10-21","18:00:00",""
"7156771","25.282","0.002","3.7619","0.0002","35.085","0.003","90","","92.481","0.007","90","","3333.7","0.4","293","","293","","","","","","","","synthesized","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 F2 N5 -","- C15 H11 F2 N5 -","- C120 H88 F16 N40 -","8","1","","Kathuria, Deepika; Gupta, Pankaj; Chourasiya, Sumit S.; Sahoo, Subash C.; Beifuss, Uwe; Chakraborti, Asit K.; Bharatam, Prasad V.","An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I<sub>2</sub>-induced tandem oxidative transformation.","Organic & biomolecular chemistry","2019","17","16","4129","4138","10.1039/c9ob00610a","","x-ray","0.71073","MoKα","","0.2008","0.07","","","0.1632","0.2208","","","","","","0.9196","","","","has coordinates","225167","2020-10-21","18:00:00",""
"7156772","10.6086","0.0014","11.1096","0.0013","15.126","0.002","104.594","0.003","106.964","0.004","93.19","0.003","1634","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N3 O9 -","- C37 H37 N3 O9 -","- C74 H74 N6 O18 -","2","1","","Arrata, Irene; Grison, Claire M.; Coubrough, Heather M.; Prabhakaran, Panchami; Little, Marc A.; Tomlinson, Darren C.; Webb, Michael E.; Wilson, Andrew J.","Control of conformation in α-helix mimicking aromatic oligoamide foldamers through interactions between adjacent side-chains.","Organic & biomolecular chemistry","2019","17","15","3861","3867","10.1039/c9ob00123a","","","0.71073","MoKα","","0.0735","0.0419","","","0.0872","0.0989","","","","","","1.007","","","","has coordinates","225241","2020-10-21","18:00:00",""
"7156773","11.156","0.005","11.456","0.005","13.201","0.006","100.51","0.02","108.58","0.02","100.45","0.02","1519.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 -","- C35 H28 Cl2 N2 O4 -","- C70 H56 Cl4 N4 O8 -","2","1","","Tehri, Piyush; Peddinti, Rama Krishna","DBU-catalyzed [3 + 2] cycloaddition and Michael addition reactions of 3-benzylidene succinimides with 3-ylidene oxindoles and chalcones.","Organic & biomolecular chemistry","2019","17","16","3964","3970","10.1039/c9ob00385a","","","0.71073","MoKα","","0.1441","0.1081","","","0.3387","0.3861","","","","","","1.474","","","","has coordinates","225165","2020-10-21","18:00:00",""
"7156774","10.6788","0.0006","11.5046","0.0003","12.2981","0.0003","114.417","0.001","103.953","0.002","96.855","0.002","1293.5","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cl N O3 -","- C32 H24 Cl N O3 -","- C64 H48 Cl2 N2 O6 -","2","1","","Tehri, Piyush; Peddinti, Rama Krishna","DBU-catalyzed [3 + 2] cycloaddition and Michael addition reactions of 3-benzylidene succinimides with 3-ylidene oxindoles and chalcones.","Organic & biomolecular chemistry","2019","17","16","3964","3970","10.1039/c9ob00385a","","","0.71073","MoKα","","0.074","0.048","","","0.1407","0.1803","","","","","","1.052","","","","has coordinates","225165","2020-10-21","18:00:00",""
"7156775","8.5355","0.0003","9.9613","0.0003","17.9321","0.0005","90","","100.199","0.002","90","","1500.58","0.08","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Yan, Li-Qin; Cai, Xiaoting; He, Xinwei; Wang, Hui; Xie, Mengqing; Zuo, Youpeng; Shang, Yongjia","Synthesis of 4-styrylcoumarins via FeCl<sub>3</sub>-promoted cascade reactions of propargylamines with β-keto esters.","Organic & biomolecular chemistry","2019","17","16","4005","4013","10.1039/c9ob00323a","","","0.71073","MoKα","","0.0743","0.0544","","","0.1402","0.1582","","","","","","1.031","","","","has coordinates","225166","2020-10-21","18:00:00",""
"7156776","23.736","0.004","5.9771","0.0006","21.99","0.003","90","","90","","90","","3119.8","0.7","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C180 H108 N12 O12 -","12","3","","Patil, Manoj D.; Liu, Rai-Shung","Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers.","Organic & biomolecular chemistry","2019","17","18","4452","4455","10.1039/c9ob00468h","","","0.71073","MoKα","","0.2074","0.082","","","0.1809","0.2602","","","","","","1.013","","","","has coordinates,has disorder","225246","2020-10-21","18:00:00",""
"7156777","8.1844","0.0009","24.475","0.003","8.6835","0.0009","90","","106.736","0.006","90","","1665.7","0.3","294","2","294.21","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4.21 H3.79 F0.63 N0.21 O0.21 -","- C4.21053 H3.78947 F0.631579 N0.210526 O0.210526 -","- C80 H72 F12 N4 O4 -","19","4.75","","Guo, Jia; Xu, Cong; Wang, Ling; Huang, Wanqiao; Wang, Mang","Catalyst-free and selective trifluoromethylative cyclization of acryloanilides using PhICF<sub>3</sub>Cl.","Organic & biomolecular chemistry","2019","17","18","4593","4599","10.1039/c9ob00601j","","","1.54178","CuKα","","0.0664","0.052","","","0.1199","0.128","","","","","","1.05","","","","has coordinates","225243","2020-10-21","18:00:00",""
"7156778","12.285","0.0004","28.8977","0.0011","25.3483","0.0009","90","","103.049","0.001","90","","8766.5","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95 H95.5 N6.5 O16 -","- C95 H101 N6.5 O16 -","- C380 H404 N26 O64 -","4","2","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156779","13.9003","0.0017","13.9234","0.0016","13.9234","0.0016","78.58","","63.598","0.002","63.598","0.002","2161.9","0.4","150","2","149.99","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H29 N13 -","- C51 H29 N13 -","- C102 H58 N26 -","2","1","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","0.71073","MoKα","","0.1494","0.0655","","","0.148","0.1715","","","","","","0.901","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156780","11.8381","0.0005","12.1136","0.0005","16.2757","0.0008","91.438","0.003","99.204","0.002","99.741","0.002","2267.44","0.18","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Cl5 N6 O4 -","- C47 H35 Cl5 N6 O4 -","- C94 H70 Cl10 N12 O8 -","2","1","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","0.71073","MoKα","","0.1953","0.1147","","","0.3011","0.36","","","","","","1.191","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156781","7.316","0.0002","19.1755","0.0005","12.7269","0.0005","90","","103.311","0.004","90","","1737.46","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Zhao, Xue-Mei; Huang, En-Ling; Zhu, Yu-Shen; Li, Jing; Song, Bing; Zhu, Xinju; Hao, Xin-Qi","Oxidative sulfonamidomethylation of imidazopyridines utilizing methanol as the main C1 source.","Organic & biomolecular chemistry","2019","17","19","4869","4878","10.1039/c9ob00596j","","x-ray","1.54184","CuKα","","0.0971","0.0913","","","0.1988","0.2019","","","","","","1.015","","","","has coordinates,has disorder","225161","2020-10-21","18:00:00",""
"7156782","9.405","0.007","9.471","0.007","9.815","0.007","84.218","0.008","63.798","0.007","78.437","0.008","768.4","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Chen, Jinpeng; Liang, Taoyuan; Zhao, He; Lin, Chuyuan; Chen, Lu; Zhang, Min","Silver-mediated three-component cycloaddition reaction for direct synthesis of 1-N-vinyl-substituted 1,2,3-triazoles.","Organic & biomolecular chemistry","2019","17","19","4843","4849","10.1039/c9ob00686a","","","0.71073","MoKα","","0.043","0.0395","","","0.1204","0.125","","","","","","1.032","","","","has coordinates","225159","2020-10-21","18:00:00",""
"7156783","9.1145","0.0005","18.1803","0.0017","18.6882","0.0017","115.886","0.009","99.779","0.006","99.493","0.006","2643.8","0.5","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C120 H204 O12 -","6","3","","Chen, Song; Chen, Ting; Liu, Guanggen; Wang, Xiao; Zhu, Guili; Liu, Yongjiang; Fu, Shaomin; Liu, Bo","Total synthesis of (±)-epi-stemodan-13α,17-diol.","Organic & biomolecular chemistry","2019","17","19","4711","4714","10.1039/c9ob00661c","","x-ray","0.71073","MoKα","","0.1951","0.1359","","","0.3946","0.4337","","","","","","1.284","","","","has coordinates","225162","2020-10-21","18:00:00",""
"7156784","42.209","0.004","10.8705","0.0009","32.818","0.003","90","","124.056","0.003","90","","12475","2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N O3 -","- C40.605 H30.42 N2 O2.605 -","- C649.68 H486.72 N32 O41.68 -","16","2","","Purnachandar, Dalovai; Suneel, Kanaparthy; Balasubramanian, Sridhar; Karunakar, Galla V.","Gold-carbene assisted formation of tetraarylmethane derivatives: double X-H activation by gold.","Organic & biomolecular chemistry","2019","17","19","4856","4864","10.1039/c9ob00470j","","","0.71073","MoKα","","0.1098","0.0615","","","0.1504","0.1735","","","","","","1.027","","","","has coordinates","225155","2020-10-21","18:00:00",""
"7156785","8.217","0.0003","23.5453","0.0007","8.6771","0.0003","90","","96.908","0.004","90","","1666.59","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0554","0.047","","","0.1356","0.1463","","","","","","1.047","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156786","8.1912","0.0004","25.2962","0.0016","8.6202","0.0003","90","","94.497","0.004","90","","1780.66","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0736","0.0492","","","0.1321","0.1558","","","","","","1.026","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156787","12.2348","0.0012","6.8428","0.0007","23.447","0.002","90","","100.176","0.009","90","","1932.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.1232","0.0783","","","0.218","0.2779","","","","","","1.021","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156788","12.6928","0.0004","7.034","0.0003","21.7643","0.0008","90","","90","","90","","1943.14","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Cl O2 -","- C24 H17 Cl O2 -","- C96 H68 Cl4 O8 -","4","0.5","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0932","0.0728","","","0.2076","0.2326","","","","","","1.054","","","","has coordinates,has disorder","225244","2020-10-21","18:00:00",""
"7156789","9.415","0.0006","10.3881","0.0007","11.1903","0.0007","78.293","0.006","85.937","0.005","65.446","0.006","974.66","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C54 H36 O4 -","2","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0927","0.0531","","","0.139","0.1704","","","","","","1.018","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156790","10.4181","0.0005","9.807","0.0005","18.121","0.0007","90","","101.548","0.004","90","","1813.95","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F O2 -","- C24 H17 F O2 -","- C96 H68 F4 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0838","0.0586","","","0.1615","0.1846","","","","","","1.023","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156791","8.4865","0.0004","8.5936","0.0004","13.0039","0.0006","71.285","0.002","82.909","0.002","65.007","0.002","814.03","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Chinta, Bhavani Shankar; Gandhi, Soniya; Baire, Beeraiah","Acid catalysed rearrangement of isobenzofurans to angularly fused phthalides.","Organic & biomolecular chemistry","2019","17","19","4715","4719","10.1039/c9ob00708c","","","0.71073","MoKα","","0.0548","0.0441","","","0.1038","0.1158","","","","","","1.033","","","","has coordinates","225151","2020-10-21","18:00:00",""
"7156792","11.9791","0.0002","13.0772","0.0002","22.8452","0.0004","90","","105.324","0.0007","90","","3451.54","0.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 S -","- C14.4 H19.2 N1.6 O1.6 S0.8 -","- C144 H192 N16 O16 S8 -","10","2.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0912","0.0714","","","0.169","0.1839","","","","","","1.043","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156793","9.96514","0.00018","12.7027","0.0003","13.1411","0.0003","60.2937","0.0008","81.682","0.0009","81.684","0.0008","1424.48","0.05","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 F N3 O5 S -","- C14 H14.5 F0.5 N O2.5 S -","- C56 H58 F2 N4 O10 S4 -","4","2","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.1185","","","","0.392","","","","","","1.535","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156794","6.0572","0.0003","12.5122","0.0005","24.3995","0.0009","90","","93.382","0.003","90","","1845.99","0.14","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 S -","- C12.6667 H17.3333 N1.33333 O1.33333 S0.666667 -","- C76 H104 N8 O8 S4 -","6","1.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0944","0.0731","","","0.166","0.1856","","","","","","1.097","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156795","12.202","0.0002","9.01705","0.00016","16.4287","0.0003","90","","103.693","0.001","90","","1756.21","0.05","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O5 S -","- C13.3333 H14 N0.666667 O2 S0.666667 -","- C80 H84 N4 O12 S4 -","6","1.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0465","0.0403","","","0.0999","0.1029","","","","","","1.049","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156796","6.13461","0.00018","13.8919","0.0005","10.4572","0.0004","90","","91.4472","0.0018","90","","890.89","0.05","296","","296","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H25 N2 O2 S -","- C18 H24 N2 O2 S -","- C36 H48 N4 O4 S2 -","2","1","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.0446","","","","0.1357","","","","","","1.213","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156797","10.9913","0.0008","20.6489","0.0012","12.3839","0.0008","90","","99.075","0.006","90","","2775.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O9 S -","- C28 H26 N2 O9 S -","- C112 H104 N8 O36 S4 -","4","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.1144","0.0663","","","0.1751","0.2127","","","","","","1.014","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156798","16.5068","0.0007","12.2903","0.0006","29.5223","0.001","90","","90","","90","","5989.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N3 O7 S -","- C33 H25 N3 O7 S -","- C264 H200 N24 O56 S8 -","8","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.0542","0.0382","","","0.0874","0.0973","","","","","","1.041","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156799","16.1433","0.0007","9.795","0.0004","16.3549","0.0007","90","","114.957","0.002","90","","2344.62","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O9 S -","- C21 H20 N4 O9 S -","- C84 H80 N16 O36 S4 -","4","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.1113","0.0805","","","0.2259","0.2554","","","","","","1.101","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156800","20.4023","0.0013","16.0765","0.0013","11.2547","0.0007","90","","90","","90","","3691.5","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O0.07 -","- C13.1429 H9.71429 N1.71429 O0.571429 -","- C184 H136 N24 O8 -","14","3.5","","Bakthadoss, Manickam; Raman, Selvakumar; Mushaf, Mohammad","A rearrangement involving a solid-state melt reaction for the synthesis of multifunctional tetrasubstituted olefins.","Organic & biomolecular chemistry","2019","17","19","4767","4773","10.1039/c9ob00639g","","x-ray","0.71073","MoKα","","0.0945","0.0495","","","0.0987","0.1219","","","","","","1.025","","","","has coordinates","225153","2020-10-21","18:00:00",""
"7156801","12.0587","0.0008","15.518","0.0013","12.0126","0.0008","90","","117.134","0.002","90","","2000.5","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C92 H92 N4 O8 S8 -","4","1","","Liu, Caiyan; Shen, Yongli; Yuan, Kedong","Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.","Organic & biomolecular chemistry","2019","17","20","5009","5013","10.1039/c9ob00705a","","x-ray","0.71073","MoKα","","0.0907","0.0579","","","0.1575","0.1804","","","","","","1.035","","","","has coordinates,has disorder","225186","2020-10-21","18:00:00",""
"7156802","12.5619","0.0002","19.642","0.0004","9.1574","0.0002","90","","100.832","0.002","90","","2219.25","0.08","299.83","0.1","299.83","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl0 N O S0.1 -","- C10 H8.8 N0.8 O0.8 S0.8 -","- C100 H88 N8 O8 S8 -","10","2.5","","Liu, Caiyan; Shen, Yongli; Yuan, Kedong","Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.","Organic & biomolecular chemistry","2019","17","20","5009","5013","10.1039/c9ob00705a","","x-ray","1.54184","CuKα","","0.0599","0.0536","","","0.1551","0.1608","","","","","","1.082","","","","has coordinates","225186","2020-10-21","18:00:00",""
"7156803","7.6372","0.0006","7.6372","0.0006","23.721","0.002","90","","90","","120","","1198.21","0.17","293","2","293","2","","","","","","","","4","P 31","P 31","144","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C57 H48 N6 O9 -","3","1","","Wang, Xiaolong; Feng, Cancan; Yang, Fan; Wu, Yangjie","Pd(ii)-Catalyzed C8-H alkoxycarbonylmethylation of 1-naphthylamides with α-chloroalkyl esters.","Organic & biomolecular chemistry","2019","17","19","4865","4868","10.1039/c9ob00648f","","","1.54184","CuKα","","0.0477","0.0411","","","0.104","0.1119","","","","","","1.058","","","","has coordinates","225160","2020-10-21","18:00:00",""
"7156804","21.701","0.006","8.299","0.003","23.48","0.007","90","","115.537","0.004","90","","3816","2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 N2 O10 -","- C43 H46 N2 O10 -","- C172 H184 N8 O40 -","4","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","","0.71073","MoKα","","0.1786","0.0831","","","0.2074","0.2594","","","","","","1.031","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156805","12.1968","0.0002","31.9446","0.0004","12.4129","0.0002","90","","119.137","0.002","90","","4224.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H54 N O11 -","- C47 H54 N O11 -","- C188 H216 N4 O44 -","4","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","x-ray","1.54184","CuKα","","0.0714","0.0633","","","0.14","0.1441","","","","","","1.106","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156806","42.729","0.008","12.651","0.002","16.865","0.003","90","","95.628","0.008","90","","9073","3","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N O12 -","- C47 H53 N O12 -","- C376 H424 N8 O96 -","8","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","","0.71073","MoKα","","0.2285","0.131","","","0.3081","0.3451","","","","","","1.29","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156807","14.761","0.003","9.9736","0.0008","15.8257","0.0019","90","","90","","90","","2329.9","0.6","292.86","0.1","292.86","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Zhan, Zhenzhen; Ma, Haojie; Cui, Xinfeng; Jiang, Pengbo; Pu, Jinghong; Zhang, Yixin; Huang, Guosheng","Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine.","Organic & biomolecular chemistry","2019","17","20","5148","5152","10.1039/c9ob00531e","","","0.71073","MoKα","","0.1334","0.068","","","0.1372","0.1848","","","","","","1.063","","","","has coordinates","225180","2020-10-21","18:00:00",""
"7156808","14.4474","0.0019","9.1512","0.001","9.2001","0.0012","90","","103.529","0.013","90","","1182.6","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl F3 N O -","- C11 H11 Cl F3 N O -","- C44 H44 Cl4 F12 N4 O4 -","4","1","","Huang, Yubing; Hong, Huanliang; Zou, Zirong; Liao, Chunshu; Lu, Jingjun; Qin, Yongwei; Li, Yibiao; Chen, Lu","Electrochemical vicinal aminotrifluoromethylation of alkenes: high regioselective acquisition of β-trifluoromethylamines.","Organic & biomolecular chemistry","2019","17","20","5014","5020","10.1039/c9ob00717b","","x-ray","0.71073","MoKα","","0.0646","0.0476","","","0.0988","0.1088","","","","","","1.071","","","","has coordinates","225188","2020-10-21","18:00:00",""
"7156809","12.47","0.003","11.66","0.002","16.913","0.004","90","","106.043","0.008","90","","2363.4","0.9","158","2","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","","Ali, Sk Asraf; Mondal, Suresh Kumar; Das, Tapas; Manna, Susanta Kumar; Bera, Anirban; Dafadar, Debabrata; Naskar, Sourenjit; Molla, Mijanur Rahaman; Samanta, Shubhankar","One-pot tandem cyclisation to pyrrolo[1,2-a][1,4]benzodiazepines: a modified approach to the Pictet-Spengler reaction.","Organic & biomolecular chemistry","2019","17","18","4652","4662","10.1039/c9ob00448c","","","0.71073","MoKα","","0.0751","0.0563","","","0.1389","0.1541","","","","","","1.033","","","","has coordinates","225248","2020-10-21","18:00:00",""
"7156810","7.6174","0.0003","26.721","0.0013","34.0314","0.0014","90","","90","","90","","6926.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 S -","- C30 H24 O2 S -","- C360 H288 O24 S12 -","12","3","","Feng, Ze-Nan; Luo, Jin-Yun; Zhang, Yang; Du, Guang-Fen; He, Lin","N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael-Michael (aldol) cascade reactions.","Organic & biomolecular chemistry","2019","17","19","4700","4704","10.1039/c9ob00210c","","","0.71073","MoKα","","0.1403","0.0637","","","0.1007","0.1306","","","","","","1.031","","","","has coordinates","225152","2020-10-21","18:00:00",""
"7156811","10.3859","0.001","17.6141","0.001","22.8451","0.0019","90","","94.387","0.008","90","","4167","0.6","150","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dyad","","","- C56 H43 Fe N3 -","- C56 H43 Fe N3 -","- C224 H172 Fe4 N12 -","4","1","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Covalently linked meso-tetraaryl triphyrin(2.1.1)-ferrocene(s) conjugates: synthesis and properties.","Organic & biomolecular chemistry","2019","17","20","5066","5074","10.1039/c9ob00647h","","x-ray","0.71073","MoKα","","0.4362","0.1807","","","0.3922","0.5288","","","","","","1.106","","","","has coordinates","225179","2020-10-21","18:00:00",""
"7156812","12.3938","0.0004","14.5761","0.0008","18.8153","0.0011","79.216","0.005","89.365","0.004","75.485","0.004","3230.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N3 O S -","- C18 H17 N3 O S -","- C144 H136 N24 O8 S8 -","8","4","","Guo, Jun-Ru; Gong, Jun-Fang; Song, Mao-Ping","Nickel(ii)-catalyzed C(sp<sup>2</sup>)-H sulfuration/annulation with elemental sulfur: selective access to benzoisothiazolones.","Organic & biomolecular chemistry","2019","17","20","5029","5037","10.1039/c9ob00449a","","x-ray","1.54184","CuKα","","0.0959","0.0787","","","0.2182","0.2302","","","","","","1.096","","","","has coordinates","225181","2020-10-21","18:00:00",""
"7156813","15.5752","0.0005","15.9896","0.0008","43.3052","0.0015","90","","90","","90","","10784.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H79 B2 Li O4 -","- C61 H79 B2 Li O4 -","- C488 H632 B16 Li8 O32 -","8","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1445","0.0788","","","0.1614","0.1864","","","","","","1.049","","","","has coordinates,has disorder","225187","2020-10-21","18:00:00",""
"7156814","5.7975","0.0006","21.031","0.0017","10.4761","0.0009","90","","93.583","0.007","90","","1274.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 O4 -","- C30 H26 B2 O4 -","- C60 H52 B4 O8 -","2","0.5","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.0621","0.0483","","","0.1272","0.1351","","","","","","1.032","","","","has coordinates","265215","2021-05-14","09:24:14",""
"7156815","12.764","0.002","12.784","0.002","14.741","0.003","93.062","0.013","91.927","0.013","96.748","0.012","2383.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 B Li O4 -","- C58 H66 B Li O4 -","- C116 H132 B2 Li2 O8 -","2","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1671","0.0881","","","0.167","0.1902","","","","","","1.162","","","","has coordinates,has disorder","225187","2020-10-21","18:00:00",""
"7156816","11.0838","0.0015","11.5129","0.0014","12.6492","0.0017","114.953","0.009","98.468","0.011","98.014","0.01","1410.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 B Cl3 O -","- C34 H24 B Cl3 O -","- C68 H48 B2 Cl6 O2 -","2","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.2127","0.0966","","","0.1969","0.2301","","","","","","1.08","","","","has coordinates","265215","2021-05-14","09:24:16",""
"7156817","7.4796","0.0007","8.7825","0.0008","14.3379","0.0014","79.991","0.008","78.903","0.008","89.752","0.007","909.76","0.15","152","1","152","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F N2 O -","- C22 H21 F N2 O -","- C44 H42 F2 N4 O2 -","2","1","","Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V.","Synthesis of pyrazolylvinyl ketones from furan derivatives.","Organic & biomolecular chemistry","2019","17","19","4850","4855","10.1039/c9ob00701f","","x-ray","1.54184","CuKα","","0.063","0.0497","","","0.1258","0.1403","","","","","","1.036","","","","has coordinates","225158","2020-10-21","18:00:00",""
"7156818","4.84497","0.00009","20.0214","0.0004","15.7697","0.0003","90","","96.9103","0.0018","90","","1518.6","0.05","108.9","0.7","108.9","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Liu, Can; Zhu, Xianjin; Han, Yongzhen; Yang, Haijun; Zhu, Changjin; Fu, Hua","Superbase-promoted selective carbon-carbon bond cleavage driven by aromatization.","Organic & biomolecular chemistry","2019","17","20","4984","4989","10.1039/c9ob00606k","","x-ray","1.54184","CuKα","","0.0501","0.0406","","","0.101","0.1083","","","","","","1.017","","","","has coordinates","225183","2020-10-21","18:00:00",""
"7156819","10.4005","0.0015","17.879","0.003","22.883","0.003","90","","95.991","0.003","90","","4231.9","1.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N4 O12 -","- C44 H48 N4 O12 -","- C176 H192 N16 O48 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.1327","0.0588","","","0.118","0.1501","","","","","","1.022","","","","has coordinates","225182","2020-10-21","18:00:00",""
"7156820","9.7079","0.0011","14.071","0.0018","20.822","0.003","90","","90","","90","","2844.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H16 N4 O16 -","- C28 H16 N4 O16 -","- C112 H64 N16 O64 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.0776","0.0374","","","0.0817","0.1031","","","","","","1.06","","","","has coordinates,has disorder","225182","2020-10-21","18:00:00",""
"7156821","8.71","0.004","11.844","0.006","13.132","0.006","94.145","0.009","105.695","0.004","103.095","0.009","1257.3","1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N4 O16 -","- C48 H52 N4 O16 -","- C48 H52 N4 O16 -","1","0.5","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.7107","MoKα","","0.0559","0.0384","","","0.0987","0.1068","","","","","","0.941","","","","has coordinates","225182","2020-10-21","18:00:00",""
"7156822","18.4591","0.0005","18.4591","0.0005","40.8718","0.0014","90","","90","","90","","13926.6","0.7","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H51 B F24 Ir N2 P -","- C72 H51 B F24 Ir N2 P -","- C576 H408 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0734","0.0679","","","0.108","0.1095","","","","","","1.271","","","","has coordinates,has disorder","225189","2020-10-21","18:00:00",""
"7156823","12.8895","0.0001","18.6285","0.0002","13.366","0.0001","90","","93.067","0.001","90","","3204.74","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H51 B F24 Ir N2 P -","- C68 H51 B F24 Ir N2 P -","- C136 H102 B2 F48 Ir2 N4 P2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.0281","0.0264","","","0.0671","0.0676","","","","","","1.03","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156824","9.18906","0.00005","17.8998","0.0001","11.33563","0.00006","90","","92.2391","0.0005","90","","1863.09","0.018","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","2","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","1.54184","CuKα","","0.0364","0.0355","","","0.0931","0.0946","","","","","","1.034","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156825","7.6291","0.0001","10.743","0.0002","13.7168","0.0002","86.396","0.001","79.04","0.001","84.807","0.001","1097.99","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C54 H48 N4 O4 S2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.041","0.0362","","","0.103","0.1063","","","","","","1.071","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156826","18.457","0.003","18.457","0.003","41.453","0.008","90","","90","","90","","14121","4","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H57 B F24 Ir N2 P -","- C72 H57 B F24 Ir N2 P -","- C576 H456 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0957","0.09","","","0.1633","0.1652","","","","","","1.303","","","","has coordinates,has disorder","225189","2020-10-21","18:00:00",""
"7156827","23.533","0.002","10.2022","0.0011","16.6772","0.0018","90","","120.507","0.006","90","","3449.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C152 H136 B8 F16 N16 O8 -","8","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.0956","0.0609","","","0.1484","0.1661","","","","","","1.039","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156828","10.4898","0.001","13.5801","0.0013","20.312","0.002","101.032","0.001","98.314","0.001","96.277","0.001","2782.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C128 H88 B8 F16 N16 O8 -","8","4","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.1492","0.0686","","","0.1333","0.1683","","","","","","0.987","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156829","10.5781","0.001","24.622","0.002","10.7523","0.0011","90","","103.295","0.001","90","","2725.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B F2 N2 O2 -","- C32 H25 B F2 N2 O2 -","- C128 H100 B4 F8 N8 O8 -","4","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.0944","0.053","","","0.1272","0.1466","","","","","","1.038","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156830","12.522","0.003","15.93","0.004","13.262","0.003","90","","114.631","0.003","90","","2404.7","1","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2017","","- C1.69 H1.38 B0.12 F0.25 N0.25 -","- C1.6875 H1.375 B0.125 F0.25 N0.25 -","- C108 H88 B8 F16 N16 -","64","16","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","x-ray","0.71073","MoKα","","0.1884","0.0823","","","0.2292","0.2878","","","","","","0.887","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156831","8.5801","0.0005","10.7434","0.0008","19.1136","0.0012","90.562","0.006","95.92","0.005","97.534","0.006","1736.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","","Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg","Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.","Organic & biomolecular chemistry","2019","17","22","5538","5544","10.1039/c9ob00825j","","","1.54184","CuKα","","0.0646","0.045","","","0.1093","0.121","","","","","","1.015","","","","has coordinates","225054","2020-10-21","18:00:00",""
"7156832","10.1301","0.0002","6.6395","0.0001","23.1337","0.0005","90","","91.894","0.002","90","","1555.09","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg","Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.","Organic & biomolecular chemistry","2019","17","22","5538","5544","10.1039/c9ob00825j","","","1.54184","CuKα","","0.0376","0.0351","","","0.0946","0.0972","","","","","","1.052","","","","has coordinates","225054","2020-10-21","18:00:00",""
"7156833","11.164","0.012","12.003","0.013","17.508","0.018","90","","99.033","0.013","90","","2317","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H104 N8 O24 -","- C96 H104 N8 O24 -","- C96 H104 N8 O24 -","1","0.25","","Sun, Fang; Yin, Tingrui; Feng, Anni; Hu, Yong; Yu, Chenxia; Li, Tuanjie; Yao, Changsheng","Base-promoted regiodivergent allylation of N-acylhydrazones with Morita-Baylis-Hillman carbonates by tuning the catalyst.","Organic & biomolecular chemistry","2019","17","21","5283","5293","10.1039/c9ob00194h","","","0.71073","MoKα","","0.082","0.0531","","","0.1519","0.1744","","","","","","1.035","","","","has coordinates","225256","2020-10-21","18:00:00",""
"7156834","6.9301","0.0003","12.5301","0.0007","17.0571","0.001","85.888","0.005","88.194","0.004","79.004","0.004","1449.97","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","2","","Zhao, Jian-Qiang; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Phosphine-catalyzed dearomative (3 + 2) annulation of 2-nitrobenzofurans and nitrobenzothiophenes with allenoates.","Organic & biomolecular chemistry","2019","17","21","5294","5304","10.1039/c9ob00775j","","x-ray","1.54184","CuKα","","0.0633","0.0496","","","0.1333","0.148","","","","","","1.039","","","","has coordinates,has disorder","225261","2020-10-21","18:00:00",""
"7156835","6.6617","0.0005","6.6834","0.0005","22.736","0.002","90","","95.148","0.006","90","","1008.19","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)formamide","","- C10 H10 F3 N O2 -","- C10 H10 F3 N O2 -","- C40 H40 F12 N4 O8 -","4","2","","Otevrel, Jan; Svestka, David; Bobal, Pavel","Bianthryl-based organocatalysts for the asymmetric Henry reaction of fluoroketones.","Organic & biomolecular chemistry","2019","17","21","5244","5248","10.1039/c9ob00884e","","","0.71073","MoKα","","0.0342","0.0315","","","0.0731","0.0748","","","","","","0.965","","","","has coordinates","225258","2020-10-21","18:00:00",""
"7156836","15.676","0.004","5.9027","0.0013","16.875","0.004","90","","104.625","0.007","90","","1510.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H41 N O4 -","- C36 H41 N O4 -","- C72 H82 N2 O8 -","2","1","","Jiang, Chunfeng; Liu, Quan; Liu, Jiaming; Liu, Kaixuan; Tian, Liangliang; Duan, Mingfei; Wang, Ying; Shen, Zhufang; Xu, Youjun","Selective synthesis of 3-deoxy-5-hydroxy-1-amino-carbasugars as potential α-glucosidase inhibitors.","Organic & biomolecular chemistry","2019","17","21","5381","5391","10.1039/c9ob00762h","","","0.71073","MoKα","","0.106","0.0555","","","0.1068","0.1326","","","","","","0.927","","","","has coordinates","225259","2020-10-21","18:00:00",""
"7156837","9.9148","0.0003","10.2958","0.0003","14.4151","0.0005","90","","109.169","0.002","90","","1389.92","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0275","0.0261","","","0.0595","0.0605","","","","","","1.002","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156838","10.1503","0.0006","7.5835","0.0004","17.626","0.001","90","","93.768","0.002","90","","1353.82","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0282","0.027","","","0.0612","0.0621","","","","","","1","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156839","10.1089","0.0005","12.9197","0.0006","14.1096","0.0007","105.902","0.002","108.629","0.002","106.656","0.002","1531.34","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 Cl F3 N4 O2 -","- C33 H23 Cl F3 N4 O2 -","- C66 H46 Cl2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0533","0.0474","","","0.1395","0.1455","","","","","","1.001","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156840","19.549","0.0016","9.8719","0.0008","10.8488","0.0008","90","","90","","90","","2093.7","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I2 O P -","- C22 H19 I2 O P -","- C88 H76 I8 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0351","0.0347","","","0.1018","0.1021","","","","","","1.123","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156841","8.3026","0.0002","8.563","0.0002","30.125","0.0008","90","","90","","90","","2141.74","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 I N3 O2 P -","- C22 H19 I N3 O2 P -","- C88 H76 I4 N12 O8 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0488","0.0476","","","0.1251","0.1264","","","","","","1.03","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156842","8.209","0.003","16.624","0.007","15.715","0.006","90","","92.215","0.006","90","","2143","1.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N3 O P -","- C22 H19 I N3 O P -","- C88 H76 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0295","0.0268","","","0.0682","0.0698","","","","","","1.086","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156843","9.1543","0.0003","10.061","0.0004","22.0753","0.0009","90","","91.464","0.003","90","","2032.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 I N3 O P -","- C21 H17 I N3 O P -","- C84 H68 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0774","0.0726","","","0.19","0.1985","","","","","","1.027","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156844","8.9643","0.0004","11.6596","0.0006","14.2643","0.0007","69.832","0.002","71.872","0.002","79.193","0.002","1324.64","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 I N3 O P -","- C30 H25 I N3 O P -","- C60 H50 I2 N6 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0354","0.0293","","","0.079","0.0875","","","","","","1.137","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156845","8.2639","0.0011","8.504","0.0013","29.114","0.005","90","","96.974","0.005","90","","2030.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F I O P -","- C21 H16 Cl F I O P -","- C84 H64 Cl4 F4 I4 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0918","0.0516","","","0.0947","0.1046","","","","","","1.061","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156846","8.2948","0.0019","26.144","0.006","14.533","0.003","90","","94.408","0.004","90","","3142.3","1.2","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H19 F I O2 P -","- C22 H19 F I O2 P -","- C132 H114 F6 I6 O12 P6 -","6","3","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0933","0.0715","","","0.17","0.1844","","","","","","0.948","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156847","16.7231","0.0017","7.852","0.0008","12.4005","0.0017","90","","103.7","0.013","90","","1582","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F I O3 P -","- C14 H17 F I O3 P -","- C56 H68 F4 I4 O12 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0688","0.0536","","","0.1426","0.1714","","","","","","1.062","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156848","9.115","0.0007","10.399","0.001","19.1186","0.0018","90","","92.325","0.004","90","","1810.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I2 O3 P -","- C15 H17 I2 O3 P -","- C60 H68 I8 O12 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.088","0.0869","","","0.26","0.2603","","","","","","1.195","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156849","29.548","0.004","8.3033","0.0008","8.5609","0.0011","90","","90","","90","","2100.4","0.4","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl I N3 O P -","- C21 H16 Cl I N3 O P -","- C84 H64 Cl4 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0974","0.078","","","0.2043","0.2136","","","","","","1.121","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156850","9.6921","0.0013","9.8549","0.0012","11.1815","0.0015","90","","107.996","0.004","90","","1015.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 F I O P -","- C22 H19 F I O P -","- C44 H38 F2 I2 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0319","0.0308","","","0.0935","0.0944","","","","","","1.142","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156851","8.0352","0.0017","12.627","0.003","33.738","0.01","90","","90","","90","","3423.1","1.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 -","- C23 H19 N3 -","- C184 H152 N24 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","1.54178","CuKα","","0.0368","0.0321","","","0.0801","0.0828","","","","","","1.059","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156852","9.6209","0.0008","10.4364","0.0008","14.6138","0.0012","87.2358","0.0013","82.3312","0.0013","64.4367","0.0012","1311.79","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H26 Cl N3 O -","- C30.5 H26 Cl N3 O -","- C61 H52 Cl2 N6 O2 -","2","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.1104","0.0726","","","0.1863","0.2137","","","","","","1.049","","","","has coordinates,has disorder","225057","2020-10-21","18:00:00",""
"7156853","21.9776","0.0014","8.2312","0.0005","15.9421","0.0011","90","","94.9609","0.0012","90","","2873.2","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br N3 O -","- C17 H12 Br N3 O -","- C136 H96 Br8 N24 O8 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.0639","0.0372","","","0.0774","0.086","","","","","","1.023","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156854","9.4665","0.001","10.3663","0.0011","12.9597","0.0014","101.761","0.003","90.841","0.003","113.945","0.003","1131.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.1169","0.0592","","","0.1261","0.1526","","","","","","1.008","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156855","8.1","0.001","9.6228","0.0012","14.778","0.0018","98.898","0.002","99.647","0.002","113.901","0.002","1006","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C48 H42 N2 O4 S2 -","2","1","","Sunil, Komalla; Thummala, Yadagiri; Dalovai, Purnachandar; Balasubramanian, Sridhar; Karunakar, Galla V.","A gold-catalyzed facile intramolecular rearrangement and cyclization sequence for synthesis of 2,5-dihydrofurans.","Organic & biomolecular chemistry","2019","17","24","6015","6024","10.1039/c9ob00756c","","","0.71073","MoKα","","0.0923","0.0653","","","0.1523","0.1667","","","","","","1.105","","","","has coordinates","225040","2020-10-21","18:00:00",""
"7156856","10.6779","0.0002","10.889","0.0002","36.8908","0.0007","90","","90","","90","","4289.35","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H24 B N -","- C30 H24 B N -","- C240 H192 B8 N8 -","8","1","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0453","0.0416","","","0.1091","0.1119","","","","","","1.026","","","","has coordinates","225058","2020-10-21","18:00:00",""
"7156857","26.0787","0.0016","18.5482","0.0005","11.033","0.0005","90","","103.001","0.006","90","","5200","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 B Cl3 N -","- C31 H27 B Cl3 N -","- C248 H216 B8 Cl24 N8 -","8","2","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0636","0.045","","","0.1026","0.1112","","","","","","1.014","","","","has coordinates","225058","2020-10-21","18:00:00",""
"7156858","14.8017","0.0012","18.2064","0.0015","20.8364","0.0018","92.0893","0.0011","104.083","0.0011","111.301","0.001","5025.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.18 H83.2 N28 Na3.31 O37.45 S4 -","- C74.187 H83.205 N28 Na3.314 O37.447 S4 -","- C148.374 H166.41 N56 Na6.628 O74.894 S8 -","2","1","","Xue, Weijian; Zavalij, Peter Y.; Isaacs, Lyle","Triazole functionalized acyclic cucurbit[n]uril-type receptors: host·guest recognition properties.","Organic & biomolecular chemistry","2019","17","22","5561","5569","10.1039/c9ob00906j","","","0.71073","MoKα","","0.1519","0.1205","","","0.2253","0.2399","","","","","","1.094","","","","has coordinates,has disorder","225060","2020-10-21","18:00:00",""
"7156859","22.6003","0.0004","12.4998","0.0002","22.7021","0.0004","90","","104.127","0.001","90","","6219.37","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 Cu2 N4 O4 S2 -","- C64 H82 Cu2 N4 O4 S2 -","- C256 H328 Cu8 N16 O16 S8 -","4","1","","Jang, Won Jun; Kang, Byung-Nam; Lee, Ji Hun; Choi, Yoon Mi; Kim, Chong-Hyeak; Yun, Jaesook","NHC-copper-thiophene-2-carboxylate complex for the hydroboration of terminal alkynes.","Organic & biomolecular chemistry","2019","17","21","5249","5252","10.1039/c9ob00839j","","","0.71073","MoKα","","0.0596","0.0403","","","0.1129","0.1251","","","","","","1.052","","","","has coordinates,has disorder","225257","2020-10-21","18:00:00",""
"7156860","8.8036","0.0018","10.75","0.002","11.597","0.002","74.87","0.03","89.66","0.03","71.84","0.03","1003.3","0.4","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","(2'S,3R,3'S)-3'-(4-bromophenyl)-2''-phenyl-4''H-dispiro[indoline-3,1'-cyclopropane-2',5''-thiazole]-2,4''-dione","","- C24 H15 Br N2 O2 S -","- C24 H15 Br N2 O2 S -","- C48 H30 Br2 N4 O4 S2 -","2","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of spirooxindole-fused spirothiazolones via squaramide-catalysed reaction of 3-chlorooxindoles with 5-alkenyl thiazolones.","Organic & biomolecular chemistry","2019","17","21","5375","5380","10.1039/c9ob00998a","","","0.71073","MoKα","","0.0421","0.0386","","","0.0916","0.0942","","","","","","1.05","","","","has coordinates","225260","2020-10-21","18:00:00",""
"7156861","6.8998","0.0002","11.7197","0.0003","26.4465","0.0006","90","","90","","90","","2138.56","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl F N2 O3 S -","- C23 H24 Cl F N2 O3 S -","- C92 H96 Cl4 F4 N8 O12 S4 -","4","1","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Thompson, Amber L.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Liu, Shuang; Ebright, Richard H.; Howells, Alison; Maxwell, Anthony; Moloney, Mark G.","Functionalised bicyclic tetramates derived from cysteine as antibacterial agents.","Organic & biomolecular chemistry","2019","17","22","5615","5632","10.1039/c9ob01076a","","","1.5418","CuKα","","0.0263","0.0257","","0.0689","0.0681","0.0689","","","","","","1.0068","","","","has coordinates","225056","2020-10-21","18:00:00",""
"7156862","7.5793","0.0003","15.2528","0.0005","15.4509","0.0005","90","","90","","90","","1786.21","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O4 S -","- C21 H22 O4 S -","- C84 H88 O16 S4 -","4","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0357","0.0308","","","0.0818","0.0873","","","","","","1.099","","","","has coordinates,has disorder","225249","2020-10-21","18:00:00",""
"7156863","18.466","0.002","9.1472","0.0009","13.5472","0.0015","90","","90.909","0.004","90","","2288","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.1001","0.0736","","","0.1245","0.134","","","","","","1.156","","","","has coordinates","225249","2020-10-21","18:00:00",""
"7156864","7.3474","0.0004","13.1574","0.0008","14.7373","0.0009","65.265","0.002","78.643","0.002","79.941","0.002","1261.82","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","2","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0479","0.0424","","","0.1094","0.1136","","","","","","1.056","","","","has coordinates","225249","2020-10-21","18:00:00",""
"7156865","11.638","0.004","14.774","0.006","14.105","0.005","90","","101.385","0.01","90","","2377.5","1.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O3 S -","- C27 H22 N4 O3 S -","- C108 H88 N16 O12 S4 -","4","1","","Jana, Asim; Bhaumick, Prabhas; Panday, Anoop Kumar; Mishra, Richa; Choudhury, Lokman H.","I<sub>2</sub>/DMSO mediated multicomponent reaction for the synthesis of 2-arylbenzo[d]imidazo[2,1-b] thiazole derivatives.","Organic & biomolecular chemistry","2019","17","21","5316","5330","10.1039/c9ob00515c","","","0.71073","MoKα","","0.1627","0.0671","","","0.1318","0.1679","","","","","","1.023","","","","has coordinates","225255","2020-10-21","18:00:00",""
"7156866","10.9535","0.0005","7.9162","0.0003","11.9942","0.0005","90","","98.836","0.004","90","","1027.68","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C36 H56 F8 O16 -","4","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0477","0.0404","","","0.0907","0.0943","","","","","","1.041","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156867","5.6134","0.0002","10.6394","0.0003","21.7983","0.0005","90","","90","","90","","1301.86","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C48 H64 F16 O24 -","8","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0297","0.0274","","","0.0666","0.0674","","","","","","1.069","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156868","8.3866","0.0002","8.4182","0.0002","10.232","0.0002","90","","90","","90","","722.38","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 F2 O4 -","- C6 H10 F2 O4 -","- C24 H40 F8 O16 -","4","1","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0223","0.0218","","","0.0606","0.0609","","","","","","1.065","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156869","21.893","0.002","16.15","0.001","20.433","0.001","90","","95.293","0.005","90","","7193.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C100 H35 O20 -","- C111 H58 O10 -","- C444 H232 O40 -","4","1","","Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A.","Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage.","Organic & biomolecular chemistry","2019","17","30","7155","7160","10.1039/c9ob00593e","","","0.895","synchrotron","","0.2316","0.1818","","","0.3751","0.3908","","","","","","1.011","","","","has coordinates","225228","2020-10-21","18:00:00",""
"7156870","9.164","0.0012","10.0512","0.0013","28.621","0.004","90","","90.278","0.005","90","","2636.2","0.6","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N O3 P -","- C31 H30 N O3 P -","- C124 H120 N4 O12 P4 -","4","1","","Boureghda, Chaima; Macé, Aurélie; Berrée, Fabienne; Roisnel, Thierry; Debache, Abdelmadjid; Carboni, Bertrand","Ene reactions of 2-borylated α-methylstyrenes: a practical route to 4-methylenechromanes and derivatives.","Organic & biomolecular chemistry","2019","17","23","5789","5800","10.1039/c9ob00963a","","x-ray","0.71073","MoKα","","0.1164","0.1019","","","0.2171","0.2239","","","","","","1.172","","","","has coordinates","225253","2020-10-21","18:00:00",""
"7156871","13.7694","0.0004","12.6853","0.0004","16.4364","0.0005","90","","107.839","0.003","90","","2732.9","0.15","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Wu, Mingchang; Yang, Junhang; Luo, Fang; Cheng, Cungui; Zhu, Gangguo","Iron-catalyzed domino Knoevenagel-hetero-Diels-Alder reaction: facile access to oxabicyclo[3.3.1]nonene derivatives.","Organic & biomolecular chemistry","2019","17","23","5684","5687","10.1039/c9ob00836e","","","0.71073","MoKα","","0.1042","0.0743","","","0.2455","0.2738","","","","","","1.879","","","","has coordinates","225251","2020-10-21","18:00:00",""
"7156872","8.1811","0.0005","12.0413","0.0009","12.5311","0.001","74.768","0.007","73.263","0.006","72.295","0.006","1105.21","0.15","150.02","0.1","150.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 B F4 O2 -","- C28 H21 B F4 O2 -","- C56 H42 B2 F8 O4 -","2","1","","Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.","Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.","Organic & biomolecular chemistry","2019","17","22","5520","5525","10.1039/c9ob00991d","","","0.71073","MoKα","","0.0989","0.0587","","","0.1168","0.1433","","","","","","1.0502","","","","has coordinates","225055","2020-10-21","18:00:00",""
"7156873","9.8844","0.0008","11.0536","0.0008","12.8011","0.0009","72.871","0.007","85.108","0.006","75.762","0.007","1295.41","0.18","150.03","0.1","150.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 B Cl O4 -","- C30 H30 B Cl O4 -","- C60 H60 B2 Cl2 O8 -","2","1","","Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.","Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.","Organic & biomolecular chemistry","2019","17","22","5520","5525","10.1039/c9ob00991d","","","0.71073","MoKα","","0.0786","0.0531","","","0.1183","0.1396","","","","","","1.0457","","","","has coordinates","225055","2020-10-21","18:00:00",""
"7156874","8.3581","0.0005","8.7357","0.0005","12.2791","0.0008","104.472","0.004","102.631","0.005","104.192","0.004","803.31","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 I N5 -","- C12 H24 I N5 -","- C24 H48 I2 N10 -","2","1","","Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander","Triaminopyrimidine derivatives as transmembrane HCl transporters","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB00725C","","","1.54178","CuKα","","0.1119","0.0655","","","0.1337","0.1541","","","","","","1.037","","","","has coordinates,has disorder","215344","2020-10-21","18:00:00",""
"7156875","17.722","0.0006","17.722","0.0006","28.3433","0.0014","90","","90","","90","","8901.8","0.6","220","2","220","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C12 H25 Cl2 N5 -","- C12 H25 Cl2 N5 -","- C192 H400 Cl32 N80 -","16","","","Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander","Triaminopyrimidine derivatives as transmembrane HCl transporters","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB00725C","","","1.54178","CuKα","","0.1176","0.074","","","0.1971","0.2281","","","","","","1.063","","","","has coordinates,has disorder","215344","2020-10-21","18:00:00",""
"7156876","6.495","0.003","17.713","0.008","21.586","0.01","90","","90","","90","","2483","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methyl-3-(4-nitrophenyl)-5,6a-dihydroisothiazolo[5,4-d]isoxazol-6(3aH)-one 4,4-dioxide","","- C11 H9 N3 O6 S -","- C11 H9 N3 O6 S -","- C88 H72 N24 O48 S8 -","8","1","","Lin, Yifan; Zhang, Ke; Gao, Mingchun; Jiang, Zheyi; Liu, Jiajie; Ma, Yurui; Wang, Haoyu; Tan, Qitao; Xiao, Junjie; Xu, Bin","Copper nitrate-mediated synthesis of 3-aryl isoxazolines and isoxazoles from olefinic azlactones.","Organic & biomolecular chemistry","2019","17","22","5509","5513","10.1039/c9ob00857h","","","0.71073","MoKα","","0.0504","0.0374","","","0.1022","0.111","","","","","","1.031","","","","has coordinates","225059","2020-10-21","18:00:00",""
"7156877","12.8593","0.0008","14.1412","0.001","6.7109","0.0005","90","","90","","90","","1220.35","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Li, Ping-Gui; Zhu, Hao; Fan, Min; Yan, Cheng; Shi, Kai; Chi, Xi-Wen; Zou, Liang-Hua","Copper-catalyzed coupling of anthranils and α-keto acids: direct synthesis of α-ketoamides.","Organic & biomolecular chemistry","2019","17","24","5902","5907","10.1039/c9ob00822e","","","0.71073","MoKα","","0.0343","0.031","","","0.0792","0.0812","","","","","","1.097","","","","has coordinates","225037","2020-10-21","18:00:00",""
"7156878","11.3174","0.0002","13.2547","0.0003","7.8913","0.0002","90","","90","","90","","1183.76","0.05","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H16 B N O4 -","- C12 H16 B N O4 -","- C48 H64 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0287","0.0276","","","0.0729","0.074","","","","","","1.066","","","","has coordinates","225036","2020-10-21","18:00:00",""
"7156879","13.3622","0.0006","9.2625","0.0004","8.695","0.0004","90","","94.734","0.002","90","","1072.49","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 B N O4 -","- C11 H14 B N O4 -","- C44 H56 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0598","0.0543","","","0.1538","0.1598","","","","","","1.049","","","","has coordinates","225036","2020-10-21","18:00:00",""
"7156880","10.1546","0.0003","10.8743","0.0004","13.3084","0.0005","85.375","0.002","77.474","0.001","63.999","0.001","1289.22","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","WIN573","","","- C28 H21 Br F3 N O4 -","- C28 H21 Br F3 N O4 -","- C56 H42 Br2 F6 N2 O8 -","2","1","","Winter, Michael; Faust, Kirill; Himmelsbach, Markus; Waser, Mario","Synthesis of α-CF<sub>3</sub>-proline derivatives by means of a formal (3 + 2)-cyclisation between trifluoropyruvate imines and Michael acceptors.","Organic & biomolecular chemistry","2019","17","23","5731","5735","10.1039/c9ob01134j","","","0.71073","MoKα","","0.0881","0.0474","","","0.0911","0.1055","","","","","","1.125","","","","has coordinates","225252","2020-10-21","18:00:00",""
"7156881","19.9226","0.0004","12.6653","0.0003","18.9998","0.0004","90","","101.605","0.001","90","","4696.13","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O6 -","- C24 H35 N O6 -","- C192 H280 N8 O48 -","8","2","","Antonova, Yulia A.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; Tabolin, Andrey A.","Tandem double acylation/[3,3]-rearrangement of aliphatic nitro compounds: a route to α-oxygenated oxime derivatives.","Organic & biomolecular chemistry","2019","17","24","5997","6006","10.1039/c9ob01005j","","","1.54178","CuKα","","0.0381","0.033","","","0.0879","0.0923","","","","","","1.0336","","","","has coordinates","225035","2020-10-21","18:00:00",""
"7156882","7.7673","0.0002","8.9291","0.0003","12.6819","0.0004","99.235","0.002","90.839","0.002","93.211","0.002","866.54","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","O'Boyle, Niamh M; Ana, Gloria; Kelly, Patrick M.; Nathwani, Seema M.; Noorani, Sara; Fayne, Darren; Bright, Sandra A.; Twamley, Brendan; Zisterer, Daniela M.; Meegan, Mary J.","Synthesis and evaluation of antiproliferative microtubule-destabilising combretastatin A-4 piperazine conjugates.","Organic & biomolecular chemistry","2019","17","25","6184","6200","10.1039/c9ob00558g","","x-ray","1.54178","CuKα","","0.0686","0.0518","","","0.138","0.1501","","","","","","1.06","","","","has coordinates","225178","2020-10-21","18:00:00",""
"7156883","7.943","0.005","8.981","0.005","22.131","0.005","90","0.005","96.657","0.005","90","0.005","1568.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C76 H52 Cl4 N8 O4 -","4","1","","Kumar, Ritush; Singh, Radhey M.","Metal-free POCl<sub>3</sub> promoted stereoselective hydrochlorination of ethynylated azaheterocycles.","Organic & biomolecular chemistry","2019","17","24","5990","5996","10.1039/c9ob00841a","","","0.71073","MoKα","","0.1461","0.0635","","","0.1325","0.1738","","","","","","0.994","","","","has coordinates","225039","2020-10-21","18:00:00",""
"7156884","9.6679","0.0009","9.2605","0.0009","20.717","0.002","90","","101.965","0.003","90","","1814.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Borra, Satheesh; Borkotoky, Lodsna; Newar, Uma Devi; Kalwar, Anshu; Das, Babulal; Maurya, Ram Awatar","Visible light triggered photo-decomposition of vinyl azides to (E)-stilbene derivatives via 1,2-acyl migration.","Organic & biomolecular chemistry","2019","17","24","5971","5981","10.1039/c9ob01035a","","","0.71073","MoKα","","0.0523","0.0397","","","0.0867","0.0965","","","","","","0.983","","","","has coordinates","225034","2020-10-21","18:00:00",""
"7156885","8.96","0.002","11.752","0.003","15.156","0.004","90.717","0.004","103.972","0.003","92.265","0.004","1547.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H74 O4 S4 -","- C74 H74 O4 S4 -","- C74 H74 O4 S4 -","1","0.5","","Hu, Jie-Ying; Sun, Yan-Qiong; Xiao, Ran; Cheng, Shengxian; He, Jun; Zeller, Matthias; Wong, Wai-Yeung; Xu, Zhengtao","Symmetrically backfolded molecules emulating the self-similar features of a Sierpinski triangle.","Organic & biomolecular chemistry","2019","17","24","6032","6037","10.1039/c9ob00958b","","","0.71073","MoKα","","0.0577","0.0438","","","0.1037","0.114","","","","","","1.033","","","","has coordinates","225038","2020-10-21","18:00:00",""
"7156886","36.646","0.002","36.646","0.002","17.5414","0.0013","90","","90","","120","","20401","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H40 Cl2 N4 O4 -","- C48 H40 Cl2 N4 O4 -","- C864 H720 Cl36 N72 O72 -","18","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1589","0.1119","","","0.2936","0.3293","","","","","","1.151","","","","has coordinates","225177","2020-10-21","18:00:00",""
"7156887","9.122","0.003","13.972","0.004","14.797","0.004","103.575","0.008","94.231","0.011","107.933","0.007","1722.3","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl N4 -","- C46 H34 Cl N4 -","- C92 H68 Cl2 N8 -","2","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1477","0.0712","","","0.17","0.2151","","","","","","1","","","","has coordinates","225177","2020-10-21","18:00:00",""
"7156888","5.4441","0.0003","18.1287","0.0008","8.5243","0.0004","90","","95.698","0.003","90","","837.14","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C32 H42 N2 O12 -","2","1","","Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.","Organic & biomolecular chemistry","2019","17","25","6251","6268","10.1039/c9ob00940j","","","1.54178","CuKα","","0.0942","0.0645","","","0.1458","0.1886","","","","","","0.873","","","","has coordinates,has disorder","225172","2020-10-21","18:00:00",""
"7156889","11.6177","0.001","14.1889","0.0012","6.2178","0.0005","90","","91.299","0.002","90","","1024.69","0.15","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C52 H36 F4 N8 -","4","1","","Samanta, Surya Kanta; Bera, Mrinal K.","Iodine mediated oxidative cross coupling of 2-aminopyridine and aromatic terminal alkyne: a practical route to imidazo[1,2-a]pyridine derivatives.","Organic & biomolecular chemistry","2019","17","26","6441","6449","10.1039/c9ob00812h","","","0.71073","MoKα","","0.0835","0.0511","","","0.1107","0.1266","","","","","","1.033","","","","has coordinates","225118","2020-10-21","18:00:00",""
"7156890","11.4012","0.0008","24.6145","0.0017","21.8613","0.0017","90","","90.414","0.003","90","","6134.9","0.8","100","1","100","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H15 N O4 S -","- C18 H15 N O4 S -","- C288 H240 N16 O64 S16 -","16","8","","Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.","Organic & biomolecular chemistry","2019","17","25","6143","6147","10.1039/c9ob00758j","","","0.71073","MoKα","","0.1308","0.0885","","","0.1714","0.1932","","","","","","1.032","","","","has coordinates","225174","2020-10-21","18:00:00",""
"7156891","7.0433","0.0004","11.562","0.0008","11.6118","0.0008","90","","90.857","0.005","90","","945.5","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 B F2 N O3 -","- C9 H8 B F2 N O3 -","- C36 H32 B4 F8 N4 O12 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1295","0.1201","","","0.3423","0.3485","","","","","","1.567","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156892","13.1705","0.0007","12.9185","0.0004","7.3648","0.0002","90","","97.809","0.003","90","","1241.45","0.08","293","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RCS-21","","- C11 H12 B F2 N O3 -","- C11 H12 B F2 N O3 -","- C44 H48 B4 F8 N4 O12 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","","1.54184","CuKα","","0.118","0.0974","","","0.2898","0.3107","","","","","","1.2109","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156893","13.5273","0.0005","7.7581","0.0004","24.7812","0.0015","90","","90","","90","","2600.7","0.2","293","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","NKS_RCS_ALA","","- C12 H14 B F2 N O3 -","- C12 H14 B F2 N O3 -","- C96 H112 B8 F16 N8 O24 -","8","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1296","0.0922","","","0.2806","0.3336","","","","","","1.126","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156894","8.8495","0.0002","9.1023","0.0002","9.2653","0.0002","62.94","0.002","89.372","0.002","69.175","0.002","610.93","0.03","293","2","296","","","","","","","","","6","P -1","-P 1","2","","triclinic","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C26 H22 B2 F4 N4 O2 -","2","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","","1.54184","CuKα","","0.0423","0.039","","","0.1006","0.1034","","","","","","1.1434","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156895","7.0792","0.0004","7.4313","0.0004","26.3653","0.0014","90","","96.772","0.005","90","","1377.34","0.13","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RCS-48","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C64 H44 B4 F8 N8 O4 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","0.71073","MoKα","","0.0443","0.0391","","","0.175","0.1867","","","","","","0.842","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156896","8.1582","0.0002","9.4094","0.0002","9.4305","0.0002","98.033","0.001","94.918","0.002","94.971","0.001","710.6","0.03","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","1","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1778","0.1813","","","","","","1.074","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156897","17.467","0.004","9.736","0.002","14.482","0.003","90","","90","","90","","2462.8","0.9","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0681","0.044","","","0.0817","0.0914","","","","","","1.029","","","","has coordinates,has disorder","225175","2020-10-21","18:00:00",""
"7156898","6.2971","0.0015","10.739","0.003","18.714","0.005","92.24","0.003","91.774","0.003","94.792","0.003","1259.4","0.6","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H38 B Cl N2 -","- C27 H38 B Cl N2 -","- C54 H76 B2 Cl2 N4 -","2","2","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.1083","0.0643","","","0.119","0.1392","","","","","","0.993","","","","has coordinates","225175","2020-10-21","18:00:00",""
"7156899","17.3954","0.0017","9.9115","0.001","14.4462","0.0014","90","","90","","90","","2490.7","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H38 B F N2 -","- C27 H38 B F N2 -","- C108 H152 B4 F4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0354","0.0324","","","0.0835","0.0857","","","","","","1.041","","","","has coordinates,has disorder","225175","2020-10-21","18:00:00",""
"7156900","15.9582","0.0005","9.1314","0.0003","10.7679","0.0003","90","","91.0981","0.0011","90","","1568.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.0677","0.038","","","0.076","0.0847","","","","","","1.027","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156901","19.185","0.002","5.7454","0.0007","29.323","0.003","90","","90","","90","","3232.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","2","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.096","0.0645","","","0.148","0.1637","","","","","","1.034","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156902","9.6819","0.001","9.8937","0.001","25.25","0.003","90","","97.704","0.003","90","","2396.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C114 H114 Br6 O12 -","6","3","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.1161","0.0635","","","0.1258","0.1496","","","","","","1.021","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156903","8.6931","0.00018","24.9324","0.0006","9.8261","0.0002","90","","90.438","0.002","90","","2129.65","0.08","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C100 H108 N12 O12 -","4","1","","He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.","Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.","Organic & biomolecular chemistry","2019","17","25","6284","6292","10.1039/c9ob01299k","","x-ray","0.71073","MoKα","","0.0419","0.0396","","","0.097","0.0986","","","","","","1.084","","","","has coordinates","225176","2020-10-21","18:00:00",""
"7156904","9.2977","0.0008","9.9446","0.0011","13.8192","0.0011","83.641","0.008","73.868","0.007","74.132","0.009","1179.8","0.2","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N3 O3 -","- C28 H33 N3 O3 -","- C56 H66 N6 O6 -","2","1","","He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.","Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.","Organic & biomolecular chemistry","2019","17","25","6284","6292","10.1039/c9ob01299k","","x-ray","0.71073","MoKα","","0.0401","0.038","","","0.0927","0.0943","","","","","","1.061","","","","has coordinates","225176","2020-10-21","18:00:00",""
"7156905","8.9636","0.0003","10.3969","0.0004","13.4271","0.0005","90","","94.862","0.001","90","","1246.82","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Le, Thi Thu Huong; Youhei, Chitose; Le, Quy Hien; Nguyen, Thanh Binh; Mac, Dinh Hung","Convenient one-pot access to 2H-3-nitrothiochromenes from 2-bromobenzaldehydes, sodium sulfide and β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","26","6355","6358","10.1039/c9ob01060b","","","0.71073","MoKα","","0.0344","0.0296","","","0.0721","0.0747","","","","","","1.06","","","","has coordinates","225123","2020-10-21","18:00:00",""
"7156906","10.2529","0.0002","11.3156","0.0003","39.0323","0.0009","90","","90","","90","","4528.44","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 N O11 S -","- C37 H47 N O11 S -","- C148 H188 N4 O44 S4 -","4","1","","Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo","Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.","Organic & biomolecular chemistry","2019","17","26","6351","6354","10.1039/c9ob01065c","","","1.54184","CuKα","","0.0726","0.0664","","","0.174","0.1793","","","","","","1.047","","","","has coordinates","225124","2020-10-21","18:00:00",""
"7156907","8.2594","0.0011","24.311","0.002","20.696","0.002","90","","97.933","0.005","90","","4115.9","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 B Cl3 F5 N -","- C49 H36 B Cl3 F5 N -","- C196 H144 B4 Cl12 F20 N4 -","4","1","","Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning","Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.","Organic & biomolecular chemistry","2019","17","26","6470","6477","10.1039/c9ob00923j","","","0.71073","MoKα","","0.1391","0.0675","","","0.1587","0.203","","","","","","1.023","","","","has coordinates","225117","2020-10-21","18:00:00",""
"7156908","8.5885","0.0006","14.6907","0.0012","16.3399","0.0013","93.829","0.003","94.403","0.003","98.387","0.003","2027.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 B Cl3 F3 N2 -","- C49 H39 B Cl3 F3 N2 -","- C98 H78 B2 Cl6 F6 N4 -","2","1","","Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning","Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.","Organic & biomolecular chemistry","2019","17","26","6470","6477","10.1039/c9ob00923j","","","0.71073","MoKα","","0.2054","0.0806","","","0.1959","0.2983","","","","","","1.051","","","","has coordinates,has disorder","225117","2020-10-21","18:00:00",""
"7156909","8.0766","0.0008","9.1009","0.0009","33.009","0.004","90","","90","","90","","2426.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Zhao, Zi-Biao; Shi, Lei; Li, Yaming; Meng, Fan-Jie; Zhou, Yong-Gui","Facile synthesis of chiral ε-sultams via an organocatalytic aza-Friedel-Crafts reaction.","Organic & biomolecular chemistry","2019","17","26","6364","6368","10.1039/c9ob01158g","","","0.71073","MoKα","","0.0951","0.0503","","","0.0996","0.1215","","","","","","1.076","","","","has coordinates","225116","2020-10-21","18:00:00",""
"7156910","7.2163","0.0002","12.4415","0.0002","17.8306","0.0004","90","","96.925","0.001","90","","1589.18","0.06","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O7 S -","- C15 H17 N O7 S -","- C60 H68 N4 O28 S4 -","4","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0569","0.0516","","","0.121","0.1231","","","","","","1.204","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156911","7.8544","0.0003","14.026","0.0006","9.9668","0.0004","90","","110.854","0.002","90","","1026.07","0.07","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0486","0.0405","","","0.0893","0.0937","","","","","","1.115","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156912","7.6784","0.0005","7.8448","0.0005","9.1114","0.0006","91.933","0.004","101.72","0.002","105.491","0.004","515.61","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0782","0.0586","","","0.1278","0.1377","","","","","","1.128","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156913","7.7698","0.0004","9.8328","0.0006","11.4487","0.0007","68.144","0.003","73.035","0.003","76.069","0.003","767.82","0.08","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O6 S -","- C15 H15 N O6 S -","- C30 H30 N2 O12 S2 -","2","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0485","0.0407","","","0.0919","0.0985","","","","","","1.109","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156914","10.0026","0.0006","25.7449","0.0014","7.0051","0.0004","90","","103.519","0.002","90","","1753.94","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O -","- C20 H22 F2 O -","- C80 H88 F8 O4 -","4","1","","Peng, Peng; Huang, Guo-Zhi; Sun, Ying-Xin; Wang, Xing; Wu, Jing-Jing; Wu, Fan-Hong","Copper-mediated cascade radical cyclization of olefins with naphthalenyl iododifluoromethyl ketones.","Organic & biomolecular chemistry","2019","17","26","6426","6431","10.1039/c9ob00916g","","","0.71073","MoKα","","0.1057","0.0747","","","0.2071","0.238","","","","","","1.033","","","","has coordinates,has disorder","225119","2020-10-21","18:00:00",""
"7156915","9.5734","0.0004","15.0468","0.0007","19.4977","0.0009","90","","92.992","0.003","90","","2804.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 F3 O4 P S -","- C31 H24 F3 O4 P S -","- C124 H96 F12 O16 P4 S4 -","4","1","","Neog, Kashmiri; Dutta, Dhiraj; Das, Babulal; Gogoi, Pranjal","Aryne insertion into the P[double bond, length as m-dash]O bond: one-pot synthesis of quaternary phosphonium triflates.","Organic & biomolecular chemistry","2019","17","26","6450","6460","10.1039/c9ob01157a","","","0.71073","MoKα","","0.11","0.0725","","","0.1785","0.2035","","","","","","0.982","","","","has coordinates","225125","2020-10-21","18:00:00",""
"7156916","9.1516","0.0002","5.26734","0.00013","17.986","0.0004","90","","94.683","0.002","90","","864.11","0.03","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Peng, Fei; Tian, Hua; Zhang, Pengxiang; Yang, Haijun; Fu, Hua","Iridium-catalyzed intramolecular enantioselective allylation of quinazolin-4(3H)-one derivatives.","Organic & biomolecular chemistry","2019","17","26","6461","6464","10.1039/c9ob01057b","","x-ray","1.54184","CuKα","","0.0395","0.0363","","","0.0911","0.0936","","","","","","1.053","","","","has coordinates","225121","2020-10-21","18:00:00",""
"7156917","16.207","0.011","7.147","0.005","18.155","0.012","90","","109.83","0.03","90","","1978","2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C100 H88 O12 -","4","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","0.71073","MoKα","","0.0812","0.0615","","","0.1583","0.176","","","","","","1.119","","","","has coordinates","225068","2020-10-21","18:00:00",""
"7156918","11.9937","0.0005","11.8843","0.0004","30.2028","0.0011","90","","90","","90","","4305","0.3","223","0.1","223","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C208 H192 O32 -","8","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","1.5418","CuKα","","0.0945","0.0611","","","0.1699","0.199","","","","","","1.108","","","","has coordinates,has disorder","225068","2020-10-21","18:00:00",""
"7156919","7.8923","0.0012","10.3082","0.0014","14.777","0.002","102.912","0.004","98.48","0.004","104.031","0.004","1110.7","0.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C58 H48 O6 -","2","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","0.71073","MoKα","","0.0993","0.067","","","0.1659","0.1852","","","","","","1.065","","","","has coordinates","225068","2020-10-21","18:00:00",""
"7156920","9.7186","0.0003","11.7583","0.0004","20.8375","0.0006","90","","96.0696","0.001","90","","2367.84","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-5-isobutyl-1H-imidazole-4-carboxylate","","- C10 H17 N3 O2 -","- C10 H17 N3 O2 -","- C80 H136 N24 O16 -","8","2","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0421","0.0396","","","0.1123","0.1153","","","","","","1.04","","","","has coordinates","225069","2020-10-21","18:00:00",""
"7156921","11.6022","0.0007","22.9041","0.0013","9.5733","0.0005","90","","90","","90","","2544","0.2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Ethyl 2-amino-5-neopentyl-1H-imidazole-4-carboxylate","","- C11 H19 N3 O2 -","- C11 H19 N3 O2 -","- C88 H152 N24 O16 -","8","1","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0697","0.069","","","0.1892","0.1896","","","","","","1.151","","","","has coordinates","225069","2020-10-21","18:00:00",""
"7156922","10.9129","0.0011","13.7709","0.0013","18.7714","0.0018","90","","102.244","0.001","90","","2756.8","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N O5 S -","- C29 H33 N O5 S -","- C116 H132 N4 O20 S4 -","4","1","","Cheng, Yu-Chun; Wang, Cong-Shuai; Li, Tian-Zhen; Gao, Feng; Jiao, Yinchun; Shi, Feng","Organocatalytic [4 + 2] cyclizations of para-quinone methide derivatives with isocyanates.","Organic & biomolecular chemistry","2019","17","27","6662","6670","10.1039/c9ob00918c","","","0.71073","MoKα","","0.091","0.0626","","","0.1737","0.1973","","","","","","1.048","","","","has coordinates","225066","2020-10-21","18:00:00",""
"7156923","11.7435","0.0014","7.1127","0.0009","15.6205","0.0015","90","","95.141","0.009","90","","1299.5","0.3","294.15","","294.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Wang, Qingmin","NIS-mediated oxidative arene C(sp<sup>2</sup>)-H amidation toward 3,4-dihydro-2(1H)-quinolinone, phenanthridone, and N-fused spirolactam derivatives.","Organic & biomolecular chemistry","2019","17","28","6762","6770","10.1039/c9ob01277j","","x-ray","0.71073","MoKα","","0.1112","0.0514","","","0.1214","0.1472","","","","","","1.016","","","","has coordinates","225027","2020-10-21","18:00:00",""
"7156924","11.507","0.004","4.843","0.0018","17.18","0.006","90","","100.591","0.009","90","","941.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C36 H32 Br4 N4 O12 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit","The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.","Organic & biomolecular chemistry","2019","17","28","6809","6820","10.1039/c9ob01082c","","","0.71073","MoKα","","0.102","0.0485","","","0.0749","0.0894","","","","","","1.022","","","","has coordinates","225031","2020-10-21","18:00:00",""
"7156925","14.336","0.007","4.975","0.002","16.193","0.008","90","","106.346","0.013","90","","1108.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 I N O -","- C12 H10 I N O -","- C48 H40 I4 N4 O4 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit","The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.","Organic & biomolecular chemistry","2019","17","28","6809","6820","10.1039/c9ob01082c","","","0.71073","MoKα","","0.1149","0.0533","","","0.1006","0.1204","","","","","","1.021","","","","has coordinates","225031","2020-10-21","18:00:00",""
"7156926","9.925","0.004","13.094","0.005","16.855","0.006","90","","105.017","0.012","90","","2115.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N3 O2 -","- C25 H18 Br N3 O2 -","- C100 H72 Br4 N12 O8 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of dihydrofuran-spirooxindoles from benzylidene malononitriles and dioxindoles.","Organic & biomolecular chemistry","2019","17","27","6557","6561","10.1039/c9ob01199d","","","0.71073","MoKα","","0.0637","0.0391","","","0.1219","0.1437","","","","","","0.962","","","","has coordinates","225064","2020-10-21","18:00:00",""
"7156927","7.6371","0.0004","14.5261","0.0008","16.1757","0.0008","90","","90","","90","","1794.49","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Pilicer, Samantha L.; Mancinelli, Michele; Mazzanti, Andrea; Wolf, Christian","Predictive chirality sensing via Schiff base formation.","Organic & biomolecular chemistry","2019","17","27","6699","6705","10.1039/c9ob01265f","","","1.54178","CuKα","","0.0997","0.0553","","","0.1184","0.1383","","","","","","0.973","","","","has coordinates,has disorder","225065","2020-10-21","18:00:00",""
"7156928","6.691","0.002","7.895","0.003","15.59","0.006","85.482","0.015","85.127","0.014","68.851","0.013","764.3","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Salam, Abdus; Ray, Sayan; Zaid, Md Abu; Kumar, Dileep; Khan, Tabrez","Total syntheses of several iridolactones and the putative structure of noriridoid scholarein A: an intramolecular Pauson-Khand reaction based one-stop synthetic solution.","Organic & biomolecular chemistry","2019","17","28","6831","6842","10.1039/c9ob00855a","","","0.71073","MoKα","","0.0838","0.0581","","","0.1493","0.1722","","","","","","1.034","","","","has coordinates","225033","2020-10-21","18:00:00",""
"7156929","10.6941","0.0001","16.3625","0.0002","18.2683","0.0002","90","","90","","90","","3196.63","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35.51 N5 O7 S -","- C34 H35.5 N5 O7 S -","- C136 H142 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.039","0.0383","","","0.1012","0.102","","","","","","1.042","","","","has coordinates,has disorder","225067","2020-10-21","18:00:00",""
"7156930","11.1703","0.0002","15.8824","0.0003","18.1124","0.0003","90","","90","","90","","3213.34","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O7 S -","- C33 H33 N5 O7 S -","- C132 H132 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.0971","0.098","","","","","","1.048","","","","has coordinates","225067","2020-10-21","18:00:00",""
"7156931","11.2685","0.0006","18.6581","0.0007","12.8795","0.0008","90","","111.426","0.007","90","","2520.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br N O9 -","- C26 H22 Br N O9 -","- C104 H88 Br4 N4 O36 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","","0.71073","MoKα","","0.0592","0.0388","","","0.0764","0.0845","","","","","","1.03","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156932","9.6963","0.0003","12.8666","0.0003","18.3433","0.0006","90","","100.842","0.003","90","","2247.63","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br N O10 -","- C22 H20 Br N O10 -","- C88 H80 Br4 N4 O40 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","","0.71073","MoKα","","0.0509","0.038","","","0.0743","0.079","","","","","","1.047","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156933","17.9781","0.0002","10.33117","0.00014","27.7978","0.0004","90","","93.5433","0.0012","90","","5153.15","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Br N2 O11 -","- C26 H21 Br N2 O11 -","- C208 H168 Br8 N16 O88 -","8","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","x-ray","1.54184","CuKα","","0.0356","0.0346","","","0.0979","0.0988","","","","","","1.064","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156934","11.6608","0.0001","15.2184","0.0001","13.2038","0.0001","90","","91.133","0.001","90","","2342.67","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br N O9 -","- C23 H22 Br N O9 -","- C92 H88 Br4 N4 O36 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","x-ray","1.54184","CuKα","","0.0402","0.0398","","","0.1143","0.1147","","","","","","1.087","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156935","8.2994","0.0007","23.795","0.002","18.3273","0.0012","90","","93.367","0.003","90","","3613.1","0.5","298","0.1","298","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br4 Cu F6 N4 P -","- C32 H28 Br4 Cu F6 N4 P -","- C128 H112 Br16 Cu4 F24 N16 P4 -","4","1","","Földesi, Tamás; Sipos, Gellért; Adamik, Réka; Nagy, Bálint; Tóth, Balázs L; Bényei, Attila; Szekeres, Krisztina J.; Láng, Győző G; Demeter, Attila; Peelen, Timothy J.; Novák, Zoltán","Design and application of diimine-based copper(i) complexes in photoredox catalysis.","Organic & biomolecular chemistry","2019","17","36","8343","8347","10.1039/c9ob01331h","","","0.71073","MoKα","","0.1364","0.0872","","","0.1667","0.1897","","","","","","1.183","","","","has coordinates","225262","2020-10-21","18:00:00",""
"7156936","17.6634","0.0005","8.6515","0.0002","9.4505","0.0003","90","","100.296","0.003","90","","1420.92","0.07","180","0.14","180","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C60 H76 N4 O16 -","2","0.5","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","","1.54184","CuKα","","0.0367","0.0334","","","0.0871","0.0907","","","","","","1.031","","","","has coordinates","225025","2020-10-21","18:00:00",""
"7156937","18.8583","0.0007","19.3929","0.0005","19.5642","0.0007","90","","90","","90","","7155","0.4","180","2","180.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H58 B F24 N2 Na O8 -","- C72 H58 B F24 N2 Na O8 -","- C288 H232 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.0993","0.0823","","","0.2183","0.2426","","","","","","1.051","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156938","17.7333","0.0003","20.112","0.0003","18.2281","0.0003","90","","93.8737","0.0013","90","","6486.24","0.18","180.05","0.1","180.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 B F24 N2 Na O8 -","- C62 H50 B F24 N2 Na O8 -","- C248 H200 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.082","0.0747","","","0.207","0.2163","","","","","","1.053","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156939","5.6807","0.0005","11.3724","0.0009","11.9319","0.0009","90","","98.979","0.008","90","","761.39","0.11","190","2","190","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl O2 -","- C9 H7 Cl O2 -","- C36 H28 Cl4 O8 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.054","0.0407","","","0.0947","0.1063","","","","","","1.032","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156940","9.7132","0.0003","14.1931","0.0005","14.3361","0.0005","90","","90","","90","","1976.38","0.12","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","1.54184","CuKα","","0.0415","0.0391","","","0.0962","0.0983","","","","","","1.069","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156941","14.926","0.001","6.8613","0.0004","17.143","0.001","90","","111.037","0.008","90","","1638.6","0.2","190","2","190","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl F3 N2 O3 -","- C17 H12 Cl F3 N2 O3 -","- C68 H48 Cl4 F12 N8 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.0831","0.0626","","","0.1639","0.1823","","","","","","1.028","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156942","16.3369","0.0014","9.5786","0.0008","16.6878","0.0013","90","","98.9","0.009","90","","2579.9","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C112 H112 N32 O24 -","8","2","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.1021","0.0594","","","0.1015","0.1178","","","","","","1.027","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156943","11.499","0.0008","8.466","0.0006","31.3","0.002","90","","90","","90","","3047.1","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O2 S2 -","- C15 H14 N2 O2 S2 -","- C120 H112 N16 O16 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0381","0.0338","","","0.0893","0.0919","","","","","","1.084","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156944","18.7734","0.0009","12.5873","0.0005","8.6595","0.0004","90","","95.548","0.002","90","","2036.71","0.16","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 N2 O2 S2 -","- C21 H15 F3 N2 O2 S2 -","- C84 H60 F12 N8 O8 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0572","0.0439","","","0.1115","0.1194","","","","","","1.036","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156945","14.5408","0.0007","10.038","0.0005","14.7642","0.0007","90","","112.918","0.002","90","","1984.88","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 N2 O2 S2 -","- C19 H19 F3 N2 O2 S2 -","- C76 H76 F12 N8 O8 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.04","0.0364","","","0.1005","0.1046","","","","","","1.046","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156946","7.507","0.004","16.207","0.01","29.663","0.019","90","","90","","90","","3609","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.1239","0.0722","","","0.1853","0.227","","","","","","1.051","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156947","12.557","0.002","18.579","0.002","13.015","0.002","90","","104.3","0.019","90","","2942.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F2 N4 O6 S2 -","- C30 H26 F2 N4 O6 S2 -","- C120 H104 F8 N16 O24 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","1.54184","CuKα","","0.2423","0.1065","","","0.2442","0.3647","","","","","","0.955","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156948","14.23986","0.0002","7.86116","0.00008","19.8448","0.0003","90","","98.1269","0.0012","90","","2199.15","0.05","160","2","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H37 Br2 N3 O11 -","- C42 H37 Br2 N3 O11 -","- C84 H74 Br4 N6 O22 -","2","1","","Wang, Ying; Ren, Jinwei; Li, Honghua; Pan, Yuanyuan; Liu, Xingzhong; Che, Yongsheng; Liu, Gang","The disruption of verM activates the production of gliocladiosin A and B in Clonostachys rogersoniana.","Organic & biomolecular chemistry","2019","17","28","6782","6785","10.1039/c9ob01102a","","","1.54184","CuKα","","0.0686","0.0662","","","0.1938","0.1988","","","","","","1.071","","","","has coordinates,has disorder","225030","2020-10-21","18:00:00",""
"7156949","6.2739","0.0008","20.464","0.003","23.723","0.003","90","","90","","90","","3045.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-methoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C35 H14 F14 O2 -","- C35 H14 F14 O2 -","- C140 H56 F56 O8 -","4","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.2005","0.0816","","","0.1748","0.2656","","","","","","0.983","","","","has coordinates,has disorder","225032","2020-10-21","18:00:00",""
"7156950","7.6458","0.0004","7.7616","0.0003","31.5448","0.001","86.116","0.003","83.893","0.003","66.44","0.004","1705.55","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-n-propoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C39 H22 F14 O2 -","- C39 H22 F14 O2 -","- C78 H44 F28 O4 -","2","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.0681","0.0462","","","0.1108","0.126","","","","","","1.009","","","","has coordinates","225032","2020-10-21","18:00:00",""
"7156951","12.417","0.003","6.0979","0.0012","25.184","0.005","90","","101.93","0.03","90","","1865.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.17 H3.83 N0.17 O0.83 S0.17 -","- C3.16667 H3.83333 N0.166667 O0.833333 S0.166667 -","- C76 H92 N4 O20 S4 -","24","6","","Huang, Junmin; Hu, Xinwei; Chen, Fengjuan; Gui, Jiao; Zeng, Wei","Rhodium(i)-catalyzed vinylation/[2 + 1] carbocyclization of 1,6-enynes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2019","17","29","7042","7054","10.1039/c9ob01028a","","","0.71073","MoKα","","0.035","0.033","","","0.0877","0.0895","","","","","","1.017","","","","has coordinates","225017","2020-10-21","18:00:00",""
"7156952","23.7456","0.0011","29.0274","0.0009","27.4514","0.0014","90","","101.549","0.004","90","","18538.4","1.4","119.97","0.11","119.97","0.11","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C122 H158 Cl6 N12 O24 -","- C122 H158 Cl6 N12 O24 -","- C488 H632 Cl24 N48 O96 -","4","1","","Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina","Thermodynamically driven self-assembly of pyridinearene to hexameric capsules.","Organic & biomolecular chemistry","2019","17","29","6980","6984","10.1039/c9ob01383k","","x-ray","1.54178","CuKα","","0.2432","0.2056","","","0.4494","0.5139","","","","","","1.789","","","","has coordinates","225022","2020-10-21","18:00:00",""
"7156953","7.3603","0.0001","16.089","0.0002","16.5566","0.0002","90","","92.3726","0.0008","90","","1958.95","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","2","","Ryder, Greg M.; Wille, Uta; Willis, Anthony C.; Pyne, Stephen G.","1,2-Addition versus homoconjugate addition reactions of indoles and electron-rich arenes to α-cyclopropyl N-acyliminium ions: synthetic and computational studies.","Organic & biomolecular chemistry","2019","17","29","7025","7035","10.1039/c9ob01363f","","","1.54184","CuKα","","0.0324","0.0316","","0.082","0.0811","0.082","","","","","","1.0042","","","","has coordinates","225020","2020-10-21","18:00:00",""
"7156954","8.996","0.009","13.612","0.014","20.05","0.02","87.116","0.015","82.877","0.016","77.657","0.015","2379","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 N8 O7 S -","- C48 H62 N8 O7 S -","- C96 H124 N16 O14 S2 -","2","1","","Isoda, Kyosuke; Matsuzaka, Mitsuru; Sugaya, Tomoaki; Yasuda, Takeshi; Tadokoro, Makoto","Synthesis and electrochromic behavior of a multi-electron redox-active N-heteroheptacenequinone.","Organic & biomolecular chemistry","2019","17","34","7884","7890","10.1039/c9ob01323g","","","0.71073","MoKα","","0.2268","0.0892","","","0.2121","0.2828","","","","","","0.853","","","","has coordinates,has disorder","225279","2020-10-21","18:00:00",""
"7156955","11.5057","0.0016","9.9709","0.0014","13.652","0.002","90","","105.1","0.004","90","","1512.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S3 -","- C13 H10 N2 O4 S3 -","- C52 H40 N8 O16 S12 -","4","1","","Li, Chengqiu; Long, Pingliang; Wu, Haopeng; Yin, Hongquan; Chen, Fu-Xue","N-Thiocyanato-dibenzenesulfonimide: a new electrophilic thiocyanating reagent with enhanced reactivity.","Organic & biomolecular chemistry","2019","17","30","7131","7134","10.1039/c9ob01340g","","","0.71073","MoKα","","0.0258","0.0243","","","0.0651","0.0664","","","","","","1.053","","","","has coordinates","225223","2020-10-21","18:00:00",""
"7156956","19.1784","0.001","5.9217","0.0003","15.119","0.0009","90","","92.959","0.005","90","","1714.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","","Miao, Jiankang; Sang, Xiaoyan; Wang, Yi; Deng, Shufeng; Hao, Wenyan","Synthesis of thiazolo[2,3-b]quinazoline derivatives via base-promoted cascade bicyclization of o-alkenylphenyl isothiocyanates with propargylamines.","Organic & biomolecular chemistry","2019","17","29","6994","6997","10.1039/c9ob01098j","","x-ray","0.71073","MoKα","","0.0598","0.047","","","0.106","0.1125","","","","","","1.068","","","","has coordinates","225023","2020-10-21","18:00:00",""
"7156957","6.3411","0.0018","7.109","0.002","16.557","0.005","93.165","0.009","92.574","0.009","92.317","0.01","743.8","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.0709","0.0463","","","0.112","0.1297","","","","","","1.061","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156958","4.73","0.01","10.2","0.02","16.8","0.02","77","0.1","86","0.1","77.3","0.1","770","2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Br N2 O S -","- C16 H11 Br N2 O S -","- C32 H22 Br2 N4 O2 S2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1723","0.0803","","","0.2162","0.2648","","","","","","1.048","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156959","6.192","0.005","7.311","0.002","16.718","0.003","87.67","0.02","85.16","0.03","86.34","0.02","752.1","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C36 H26 Br2 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.077","0.0623","","","0.1719","0.1831","","","","","","1.042","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156960","8.722","0.005","9.677","0.006","11.637","0.008","101.028","0.014","103.348","0.017","112.332","0.011","840.4","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br Cl2 N2 O -","- C18 H11 Br Cl2 N2 O -","- C36 H22 Br2 Cl4 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.0484","0.0346","","","0.0814","0.0869","","","","","","1.042","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156961","11.542","0.004","12.009","0.004","14.738","0.005","100.009","0.011","105.015","0.01","117.02","0.01","1653.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","2","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1601","0.1032","","","0.293","0.3322","","","","","","1.054","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156962","11.5956","0.0017","5.0269","0.0007","33","0.005","90","","92.159","0.004","90","","1922.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.123","0.054","","","0.1289","0.1448","","","","","","0.891","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156963","9.8735","0.001","11.1925","0.0013","16.3751","0.0018","104.559","0.003","102.943","0.003","102.875","0.003","1630.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","2","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1062","0.0658","","","0.1675","0.1904","","","","","","1.033","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156964","5.53","0.002","12.216","0.004","32.227","0.013","90","","90","","90","","2177.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Luo, Jinghua; Chen, Rongshun; Fan, Xia; Gong, Junyu; Han, Jie; He, Zhengjie","Catalytic asymmetric (4 + 1) annulation of nitroalkenes with allylic acetates: stereoselective synthesis of isoxazoline N-oxides.","Organic & biomolecular chemistry","2019","17","29","6989","6993","10.1039/c9ob01058k","","","0.71073","MoKα","","0.0916","0.0585","","","0.106","0.1182","","","","","","1.164","","","","has coordinates","225019","2020-10-21","18:00:00",""
"7156965","6.4813","0.0013","16.177","0.003","21.944","0.004","90","","90","","90","","2300.8","0.8","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-3-((S)-4-((2-Bromophenyl)amino)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-3-fluoro-1-methylindolin-2-one","","- C25 H20 Br F N4 O2 -","- C25 H20 Br F N4 O2 -","- C100 H80 Br4 F4 N16 O8 -","4","1","","Zhang, Qing-Da; Zhao, Bo-Liang; Li, Bing-Yu; Du, Da-Ming","Squaramide-catalyzed asymmetric Mannich reactions between 3-fluorooxindoles and pyrazolinone ketimines.","Organic & biomolecular chemistry","2019","17","30","7182","7191","10.1039/c9ob01350d","","","0.71073","MoKα","","0.0435","0.04","","","0.0857","0.0877","","","","","","1.089","","","","has coordinates","225229","2020-10-21","18:00:00",""
"7156966","9.7264","0.0007","13.0927","0.0009","11.7193","0.0008","90","","109.924","0.002","90","","1403.07","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shirley, Harry J.; Bray, Christopher D.","A biomimetic approach towards phorone sesterterpenoids.","Organic & biomolecular chemistry","2019","17","29","6985","6988","10.1039/c9ob00745h","","","0.71075","MoKα","","0.0582","0.044","","","0.1067","0.115","","","","","","1.055","","","","has coordinates","225024","2020-10-21","18:00:00",""
"7156967","12.6454","0.0009","6.3501","0.0004","18.3909","0.0013","90","","106.614","0.003","90","","1415.13","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shirley, Harry J.; Bray, Christopher D.","A biomimetic approach towards phorone sesterterpenoids.","Organic & biomolecular chemistry","2019","17","29","6985","6988","10.1039/c9ob00745h","","","0.71075","MoKα","","0.1215","0.0673","","","0.1526","0.1809","","","","","","1.005","","","","has coordinates","225024","2020-10-21","18:00:00",""
"7156968","9.2333","0.0003","11.1033","0.0004","11.1547","0.0003","100.671","0.002","93.538","0.002","93.953","0.002","1117.89","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 N O6 -","- C25 H21 N O6 -","- C50 H42 N2 O12 -","2","2","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Catalytic enantioselective Michael addition of 2-substituted benzofuran-3-ones to 2-enoyl pyridines.","Organic & biomolecular chemistry","2019","17","30","7166","7171","10.1039/c9ob01069f","","","0.71073","MoKα","","0.0701","0.0387","","","0.0916","0.1099","","","","","","0.982","","","","has coordinates,has disorder","225222","2020-10-21","18:00:00",""
"7156969","14.1242","0.0003","14.398","0.0003","20.2906","0.0006","90","","90","","90","","4126.3","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 N6 O11 -","- C46 H42 N6 O11 -","- C184 H168 N24 O44 -","4","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Wang, Min-Can","Dinuclear zinc cooperative catalytic three-component reactions for highly enantioselective synthesis of 3,3'-dihydrofuran spirooxindoles.","Organic & biomolecular chemistry","2019","17","30","7172","7181","10.1039/c9ob01233h","","x-ray","1.54184","CuKα","","0.0613","0.0522","","","0.1394","0.1481","","","","","","1.046","","","","has coordinates","225225","2020-10-21","18:00:00",""
"7156970","7.9383","0.0002","8.9382","0.0002","16.392","0.0005","90","","90","","90","","1163.08","0.05","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 Cl N O4 -","- C10 H19 Cl N O4 -","- C40 H76 Cl4 N4 O16 -","4","1","","Foucart, Quentin; Shimadate, Yuna; Marrot, Jérôme; Kato, Atsushi; Désiré, Jérôme; Blériot, Yves","Synthesis and glycosidase inhibition of conformationally locked DNJ and DMJ derivatives exploiting a 2-oxo-C-allyl iminosugar.","Organic & biomolecular chemistry","2019","17","30","7204","7214","10.1039/c9ob01402k","","","0.71073","MoKα","","0.0244","0.023","","","0.0625","0.0637","","","","","","1.098","","","","has coordinates","225226","2020-10-21","18:00:00",""
"7156971","12.8311","0.0009","7.0802","0.0005","12.066","0.0008","90","","90.396","0.007","90","","1096.13","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 S -","- C13 H16 S -","- C52 H64 S4 -","4","1","","Luo, Xianglin; Li, Yibiao; Chen, Xiuwen; Song, Zhiyan; Liang, Junyi; Liao, Chunshu; Zhu, Zhongzhi; Chen, Lu","(Z)-Tetrahydrothiophene and (Z)-tetrahydrothiopyran synthesis through nucleophilic substitution and intramolecular cycloaddition of alkynyl halides and EtOCS<sub>2</sub>K.","Organic & biomolecular chemistry","2019","17","31","7315","7319","10.1039/c9ob01370a","","x-ray","0.71073","MoKα","","0.0528","0.0432","","","0.1006","0.1086","","","","","","1.051","","","","has coordinates","225236","2020-10-21","18:00:00",""
"7156972","8.2455","0.0012","11.3533","0.0016","13.652","0.002","90","","90","","90","","1278","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Ahire, Milind M.; Pol, Mahesh D.; Kavale, Dattatry S.; Gonnade, Rajesh G.; Mhaske, Santosh B.","Stereoselective construction of deoxy-cruciferane alkaloids by NHC-catalyzed intramolecular annulation of homoenolate with quinazolinone.","Organic & biomolecular chemistry","2019","17","30","7135","7139","10.1039/c9ob01243e","","","1.54178","CuKα","","0.0348","0.0334","","","0.0877","0.0914","","","","","","1.056","","","","has coordinates","225224","2020-10-21","18:00:00",""
"7156973","8.7557","0.0018","14.297","0.003","16.454","0.003","90","","90","","90","","2059.7","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1376","0.0605","","","0.125","0.1513","","","","","","0.883","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156974","8.1876","0.0016","14.121","0.003","19.915","0.004","90","","90","","90","","2302.5","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1373","0.0795","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156975","8.5232","0.0017","13.562","0.003","21.283","0.004","90","","90","","90","","2460.1","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1896","0.0968","","","0.1485","0.1779","","","","","","1.018","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156976","12.9425","0.0009","15.6165","0.0011","10.6618","0.0007","90","","101.551","0.003","90","","2111.3","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cl2 O6 -","- C23 H20 Cl2 O6 -","- C92 H80 Cl8 O24 -","4","0.5","","Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian","A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.","Organic & biomolecular chemistry","2019","17","29","6998","7001","10.1039/c9ob00901a","","","0.71073","MoKα","","0.0493","0.0387","","","0.0956","0.1028","","","","","","1.042","","","","has coordinates","225021","2020-10-21","18:00:00",""
"7156977","8.8734","0.0003","16.0071","0.0005","14.189","0.0005","90","","100.72","0.002","90","","1980.2","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","1","","Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian","A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.","Organic & biomolecular chemistry","2019","17","29","6998","7001","10.1039/c9ob00901a","","","0.71073","MoKα","","0.0499","0.0395","","","0.1048","0.1138","","","","","","1.067","","","","has coordinates","225021","2020-10-21","18:00:00",""
"7156978","9.751","0.0007","16.7972","0.0013","20.8431","0.0014","90","","90","","90","","3413.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diethyl 2,2-bis(2-((1R,5R,6S,7S,10S,11S)-1,10-epoxyguaia-3-ene-6,12-olid)methyl)malonate","","","- C37 H48 O10 -","- C37 H48 O10 -","- C148 H192 O40 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.0958","0.0616","","","0.131","0.165","","","","","","1.06","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156979","8.8852","0.0001","10.6649","0.0001","31.4503","0.0002","90","","90","","90","","2980.22","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-((Diphenylphosphoryl)methyl)dihydrofuran-2(3H)-one","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0654","0.0546","","","0.1295","0.1438","","","","","","1.145","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156980","10.1251","0.0006","10.1582","0.0007","17.4602","0.0011","90","","95.237","0.004","90","","1788.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl 2,2-bis((2-oxotetrahydrofuran-3-yl)methyl)malonate","","","- C17 H24 O8 -","- C17 H24 O8 -","- C68 H96 O32 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.1338","0.0709","","","0.1693","0.2134","","","","","","1.108","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156981","6.0344","0.0002","31.7014","0.001","12.0302","0.0004","90","","90","","90","","2301.36","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,5R,6S,7S,10S,11S)-11-((diphenylphosphoryl)methyl)-1,10-epoxyguaia-3-ene-6,12-olid","","","- C27 H29 O4 P -","- C27 H29 O4 P -","- C108 H116 O16 P4 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0718","0.0576","","","0.1408","0.1614","","","","","","1.087","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156982","8.04807","0.00016","20.9106","0.0006","25.9109","0.0008","109.598","0.003","95.323","0.002","99.3812","0.0019","4001.7","0.2","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H43.25 B F2 N5 O8 S -","- C42 H43.25 B F2 N5 O8 S -","- C168 H173 B4 F8 N20 O32 S4 -","4","2","","Sirbu, D.; Zeng, L.; Waddell, P. G.; Benniston, A. C.","An unprecedented oxidised julolidine-BODIPY conjugate and its application in real-time ratiometric fluorescence sensing of sulfite.","Organic & biomolecular chemistry","2019","17","31","7360","7368","10.1039/c9ob01316d","","x-ray","1.54184","CuKα","","0.0619","0.047","","","0.1177","0.1289","","","","","","1.031","","","","has coordinates,has disorder","225231","2020-10-21","18:00:00",""
"7156983","9.1911","0.0011","10.2029","0.0014","10.5844","0.0014","105.786","0.004","112.987","0.004","97.227","0.004","848.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C40 H40 N8 O2 -","2","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu","Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.","Organic & biomolecular chemistry","2019","17","31","7320","7324","10.1039/c9ob01175g","","","0.71073","MoKα","","0.0942","0.067","","","0.1294","0.1388","","","","","","1.148","","","","has coordinates","225233","2020-10-21","18:00:00",""
"7156984","9.0962","0.0005","10.1454","0.0006","18.0969","0.001","90","","92.369","0.002","90","","1668.64","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu","Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.","Organic & biomolecular chemistry","2019","17","31","7320","7324","10.1039/c9ob01175g","","","0.71073","MoKα","","0.0575","0.046","","","0.1212","0.1325","","","","","","1.11","","","","has coordinates","225233","2020-10-21","18:00:00",""
"7156985","16.076","0.004","8.828","0.003","11.834","0.003","90","","103.487","0.01","90","","1633.2","0.8","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","0.5","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.1441","0.0841","","","0.2021","0.234","","","","","","1.088","","","","has coordinates,has disorder","225076","2020-10-21","18:00:00",""
"7156986","8.6965","0.0007","10.6905","0.0007","18.5537","0.0014","90","","96.339","0.003","90","","1714.4","0.2","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0466","0.0408","","","0.1047","0.1096","","","","","","1.013","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156987","11.7123","0.0012","11.9264","0.0014","14.137","0.0015","88.483","0.004","70.167","0.004","75.429","0.004","1794.1","0.3","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0493","0.0385","","","0.0824","0.0901","","","","","","0.817","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156988","10.9939","0.0018","10.325","0.0019","15.434","0.003","90","","98.239","0.006","90","","1733.9","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O5 -","- C21 H14 N2 O5 -","- C84 H56 N8 O20 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.055","0.0411","","","0.1002","0.109","","","","","","1.018","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156989","13.455","0.002","10.3927","0.0013","13.4329","0.0019","90","","95.302","0.006","90","","1870.3","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O3 -","- C25 H17 N O3 -","- C100 H68 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0507","0.0401","","","0.0975","0.1042","","","","","","1.049","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156990","17.209","0.003","5.034","0.0008","19.434","0.003","90","","104.812","0.005","90","","1627.6","0.5","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Mohr, Lisa-Marie; Bauer, Andreas; Jandl, Christian; Bach, Thorsten","Visible light-mediated intermolecular [2 + 2] photocycloaddition of 1-aryl-2-nitroethenes and olefins.","Organic & biomolecular chemistry","2019","17","30","7192","7203","10.1039/c9ob01146c","","x-ray","0.71073","MoKα","","0.077","0.0505","","","0.1142","0.1259","","","","","","1.032","","","","has coordinates","225227","2020-10-21","18:00:00",""
"7156991","9.899","0.002","11.547","0.003","13.186","0.003","111.235","0.017","91.111","0.016","102.013","0.016","1366.7","0.6","296","0.2","296","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj","Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.","Organic & biomolecular chemistry","2019","17","33","7747","7759","10.1039/c9ob01249d","","","0.71073","MoKα","","0.1856","0.0645","","","0.0898","0.1136","","","","","","0.938","","","","has coordinates","225097","2020-10-21","18:00:00",""
"7156992","11.2334","0.0008","9.4327","0.0006","23.5205","0.0018","90","","92","0.05","90","","2490.7","0.3","296","0.2","296","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br2 N3 O5 -","- C25 H19 Br2 N3 O5 -","- C100 H76 Br8 N12 O20 -","4","1","","Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj","Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.","Organic & biomolecular chemistry","2019","17","33","7747","7759","10.1039/c9ob01249d","","","0.71073","MoKα","","0.0905","0.0572","","","0.1362","0.1582","","","","","","0.972","","","","has coordinates","225097","2020-10-21","18:00:00",""
"7156993","7.2208","0.0004","16.3286","0.0009","27.1076","0.0012","90","","90","","90","","3196.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Br N2 O4 S -","- C35 H31 Br N2 O4 S -","- C140 H124 Br4 N8 O16 S4 -","4","1","","Franc, Michael; Urban, Michal; Císařová, Ivana; Veselý, Jan","Highly enantioselective addition of sulfur-containing heterocycles to isatin-derived ketimines.","Organic & biomolecular chemistry","2019","17","31","7309","7314","10.1039/c9ob01338e","","","0.71073","MoKα","","0.0578","0.0355","","","0.0661","0.0717","","","","","","1.036","","","","has coordinates","225232","2020-10-21","18:00:00",""
"7156994","10.485","0.004","6.832","0.003","21.082","0.008","90","","90","","90","","1510.2","1","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl3 N3 -","- C15 H12 Cl3 N3 -","- C60 H48 Cl12 N12 -","4","0.5","","Jiang, Shaohua; Yang, Zhihai; Guo, Ziyin; Li, Yibiao; Chen, Lu; Zhu, Zhongzhi; Chen, Xiuwen","Transition metal-free α-methylation of 1,8-naphthyridine derivatives using DMSO as methylation reagent.","Organic & biomolecular chemistry","2019","17","31","7416","7424","10.1039/c9ob01490j","","","0.71073","MoKα","","0.0787","0.0653","","","0.1794","0.1961","","","","","","1.063","","","","has coordinates,has disorder","225234","2020-10-21","18:00:00",""
"7156995","5.574","0.0011","12.623","0.003","14.179","0.003","110.91","0.03","95.03","0.03","95.13","0.03","920.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C36 H32 Br4 N4 O6 -","2","1","","Sun, Li; Liu, Yi; Wang, Yankai; Li, Yuanyuan; Liu, Zhiwen; Lu, Tao; Li, Wenhai","An efficient synthesis of oxazolines via a cascade reaction between azaoxyallyl cations and 1,2-benzisoxazoles.","Organic & biomolecular chemistry","2019","17","32","7526","7530","10.1039/c9ob01366k","","","0.71073","MoKα","","0.2092","0.1018","","","0.2194","0.2571","","","","","","1.216","","","","has coordinates","225075","2020-10-21","18:00:00",""
"7156996","9.231","0.003","9.999","0.003","11.902","0.004","113.249","0.004","91.355","0.004","107.746","0.003","948.2","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C40 H36 N4 O8 S2 -","2","1","","Tian, Ting; Dong, An-Shun; Chen, Dan; Cao, Xian-Ting; Wang, Guannan","Regioselective C-C cross-coupling of 1,2,4-thiadiazoles with maleimides through iridium-catalyzed C-H activation.","Organic & biomolecular chemistry","2019","17","33","7664","7668","10.1039/c9ob01539f","","","0.71073","MoKα","","0.0647","0.046","","","0.1133","0.1258","","","","","","1.054","","","","has coordinates","225095","2020-10-21","18:00:00",""
"7156997","10.1856","0.0014","16.187","0.002","11.0278","0.0015","90","","91.519","0.005","90","","1817.6","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 Cu0.5 N O7 -","- C15 H28 Cu0.5 N O7 -","- C60 H112 Cu2 N4 O28 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1047","0.0767","","","0.211","0.2347","","","","","","1.061","","","","has coordinates","225096","2020-10-21","18:00:00",""
"7156998","10.6013","0.0006","25.155","0.0013","8.9311","0.0004","90","","109.342","0.002","90","","2247.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cu N O6 -","- C23 H31 Cu N O6 -","- C92 H124 Cu4 N4 O24 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1572","0.1015","","","0.1928","0.2197","","","","","","1.065","","","","has coordinates,has disorder","225096","2020-10-21","18:00:00",""
"7156999","16.608","0.002","11.434","0.004","16.771","0.004","90","","100.803","0.006","90","","3128.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cu2 N2 O8 -","- C30 H44 Cu2 N2 O8 -","- C120 H176 Cu8 N8 O32 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1286","0.0574","","","0.1368","0.1642","","","","","","0.9","","","","has coordinates","225096","2020-10-21","18:00:00",""
"7157000","11.1159","0.0001","13.1734","0.0001","28.2695","0.0003","90","","96.402","0.001","90","","4113.81","0.07","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N2 S -","- C24 H26 N2 S -","- C192 H208 N16 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0254","0.0253","","","0.0677","0.0678","","","","","","1.038","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157001","17.6143","0.0004","8.8624","0.00016","29.0155","0.0006","90","","98.484","0.002","90","","4479.9","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 S -","- C26 H30 N2 S -","- C208 H240 N16 S8 -","8","4","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0715","0.0514","","","0.1112","0.1208","","","","","","0.961","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157002","11.09166","0.00008","13.89141","0.00009","34.8221","0.0003","90","","90","","90","","5365.35","0.07","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H37 N3 O2 S -","- C28 H37 N3 O2 S -","- C224 H296 N24 O16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0376","0.0373","","","0.0852","0.0853","","","","","","1.161","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157003","9.16773","0.00005","14.33308","0.00008","15.08193","0.00008","90","","104.093","0.0005","90","","1922.15","0.019","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H44 N4 S2 -","- C46 H44 N4 S2 -","- C92 H88 N8 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0271","0.0265","","","0.0677","0.0685","","","","","","1.019","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157004","8.73671","0.00017","8.73671","0.00017","56.4484","0.001","90","","90","","90","","4308.71","0.14","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H28 N2 S -","- C25 H28 N2 S -","- C200 H224 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0365","0.0356","","","0.0841","0.0846","","","","","","1.065","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157005","9.6029","0.00007","10.57062","0.00006","23.0787","0.00013","90","","90","","90","","2342.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 S -","- C28 H32 N2 S -","- C112 H128 N8 S4 -","4","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0232","0.0231","","","0.0637","0.0638","","","","","","1.061","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157006","12.9053","0.0001","12.9053","0.0001","16.087","0.0001","90","","90","","90","","2679.24","0.03","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H24 N2 S -","- C11 H24 N2 S -","- C88 H192 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0282","0.0272","","","0.0702","0.0711","","","","","","1.067","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157007","9.0135","0.0002","9.2173","0.0002","10.0939","0.0002","100.231","0.002","94.54","0.002","112.553","0.002","752.08","0.03","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","1","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0398","0.0397","","","0.1091","0.1093","","","","","","1.163","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157008","10.168","0.00005","14.93848","0.00008","16.29099","0.00008","90","","99.1361","0.0005","90","","2443.12","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N3 S2 -","- C27 H27 N3 S2 -","- C108 H108 N12 S8 -","4","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0308","0.0289","","","0.0733","0.0754","","","","","","1.045","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157009","14.3834","0.0002","10.6941","0.0001","29.8026","0.0006","90","","98.643","0.002","90","","4532.1","0.12","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 N3 O0.5 S -","- C26 H29.84 N3 O0.4925 S -","- C208 H238.72 N24 O3.94 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0614","0.0537","","","0.1446","0.1525","","","","","","1.068","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157010","8.81055","0.0001","20.08758","0.00017","9.52368","0.00011","90","","112.355","0.0013","90","","1558.85","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38.32 N4 O0.16 S2 -","- C35 H38.324 N4 O0.162 S2 -","- C70 H76.648 N8 O0.324 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0334","0.032","","","0.0829","0.0852","","","","","","1.037","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157011","6.3862","0.0003","8.2346","0.0004","17.2255","0.0012","100.358","0.005","97.648","0.005","95.824","0.004","875.83","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Liang, Yi-En; Lu, Chia-Ling; Li, Wen-Tai","Pd-Catalyzed sequential hydroarylation and olefination reactions of 3-allylchromones.","Organic & biomolecular chemistry","2019","17","32","7569","7583","10.1039/c9ob01147a","","","0.71073","MoKα","","0.0861","0.0618","","","0.1916","0.2156","","","","","","1.329","","","","has coordinates","225074","2020-10-21","18:00:00",""
"7157012","25.978","0.002","16.4871","0.0015","16.06","0.0014","90","","94.502","0.001","90","","6857.3","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H80 N2 O4 -","- C80 H80 N2 O4 -","- C320 H320 N8 O16 -","4","0.5","","Wang, Lijiao; Hao, Wei; Han, Yanbing; Shi, Yamei; Li, Shuzhou; Zhang, Chunfang; Xiao, Jinchong","Facile and versatile access to substituted hexabenzoovalene derivatives: characterization and optoelectronic properties.","Organic & biomolecular chemistry","2019","17","34","7964","7972","10.1039/c9ob01446b","","","0.71073","MoKα","","0.108","0.0571","","","0.1603","0.1792","","","","","","1.033","","","","has coordinates,has disorder","225285","2020-10-21","18:00:00",""
"7157013","13.351","0.004","25.715","0.007","5.749","0.0017","90","","90","","90","","1973.8","1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C92 H80 Br4 N4 O8 -","4","1","","Mondal, Buddhadeb; Balha, Megha; Pan, Subhas Chandra","Organocatalytic asymmetric spirocyclization reactions of cyclic 2,4-dienones with cyanoketones: synthesis of spiro-dihydropyrano cyclohexanones.","Organic & biomolecular chemistry","2019","17","34","7849","7853","10.1039/c9ob01415b","","","0.71073","MoKα","","0.1851","0.1147","","","0.234","0.2477","","","","","","1.88","","","","has coordinates","225284","2020-10-21","18:00:00",""
"7157014","17.2809","0.0013","16.3497","0.0012","16.6811","0.0013","90","","104.161","0.002","90","","4569.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Yoav333b (Hila)","","","- C48 H69 D2 N O3 Si2 -","- C48 H71 N O3 Si2 -","- C192 H284 N4 O12 Si8 -","4","1","","Toledo, Hila; Tumanskii, Boris; Sabirov, Denis Sh; Kaushansky, Alexander; Fridman, Natalia; Szpilman, Alex M.","First α-deuterium nitroxides; synthesis and EPR study.","Organic & biomolecular chemistry","2019","17","34","7900","7906","10.1039/c9ob01127g","","","0.71073","MoKα","","0.0789","0.0506","","","0.1347","0.1476","","","","","","1.056","","","","has coordinates,has disorder","225283","2020-10-21","18:00:00",""
"7157015","12.1351","0.0006","8.4982","0.0004","26.9828","0.0018","90","","95.024","0.004","90","","2772","0.3","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H26 N2 O4 S -","- C31 H26 N2 O4 S -","- C124 H104 N8 O16 S4 -","4","1","","Hajra, Saumen; Bhosale, Suhas Shivajirao; Hazra, Atanu; Kanaujia, Nikhil","The one pot asymmetric synthesis of 3,3'-pyrrolidonyl spiroxindoles via a regio- and stereoselective domino reaction.","Organic & biomolecular chemistry","2019","17","35","8140","8148","10.1039/c9ob01570a","","","0.71073","MoKα","","0.0784","0.0528","","","0.1122","0.123","","","","","","0.944","","","","has coordinates","225271","2020-10-21","18:00:00",""
"7157016","9.5972","0.0006","11.9696","0.0008","14.6218","0.0009","104.321","0.002","91.69","0.002","113.084","0.002","1482.02","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N4 O3 -","- C36 H32 N4 O3 -","- C72 H64 N8 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1194","0.0608","","","0.1348","0.1584","","","","","","1.017","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157017","11.917","0.003","17.27","0.005","15.382","0.004","90","","92.563","0.009","90","","3162.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 N4 O3 -","- C36 H30 Cl2 N4 O3 -","- C144 H120 Cl8 N16 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1209","0.0765","","","0.2138","0.2328","","","","","","1.098","","","","has coordinates,has disorder","225282","2020-10-21","18:00:00",""
"7157018","8.8593","0.0009","22.333","0.002","15.6805","0.0015","90","","98.73","0.003","90","","3066.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Br N3 O4 -","- C35 H28 Br N3 O4 -","- C140 H112 Br4 N12 O16 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.0983","0.079","","","0.2088","0.2362","","","","","","1.031","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157019","9.5329","0.0006","12.0116","0.0009","26.3133","0.0017","90","","92.348","0.002","90","","3010.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N5 O5 -","- C34 H25 N5 O5 -","- C136 H100 N20 O20 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1233","0.0762","","","0.1962","0.2196","","","","","","1.032","","","","has coordinates,has disorder","225282","2020-10-21","18:00:00",""
"7157020","9.539","0.0012","20.876","0.003","14.712","0.002","90","","108.212","0.005","90","","2782.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N3 O3 -","- C36 H27 N3 O3 -","- C144 H108 N12 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1255","0.0669","","","0.1336","0.1537","","","","","","1.061","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157021","7.792","0.0005","12.8131","0.0008","14.7154","0.0009","96.214","0.002","96.001","0.002","98.326","0.002","1434.32","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N5 O2 -","- C36 H29 N5 O2 -","- C72 H58 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1027","0.0518","","","0.1087","0.1269","","","","","","1.012","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157022","7.9255","0.001","12.9254","0.0015","15.224","0.002","92.788","0.004","101.518","0.004","99.593","0.004","1501.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Br Cl N5 O2 -","- C35 H25 Br Cl N5 O2 -","- C70 H50 Br2 Cl2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1237","0.0724","","","0.171","0.2009","","","","","","1.02","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157023","7.9473","0.0008","12.8859","0.0014","15.2264","0.0016","93.496","0.003","101.326","0.003","98.939","0.003","1503.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Br N5 O2 -","- C36 H28 Br N5 O2 -","- C72 H56 Br2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1003","0.0636","","","0.1687","0.1949","","","","","","1.016","","","","has coordinates,has disorder","225282","2020-10-21","18:00:00",""
"7157024","33.399","0.003","7.9839","0.0007","26.148","0.003","90","","110.495","0.003","90","","6531.1","1.1","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Cl2 F N5 O3 -","- C37 H30 Cl2 F N5 O3 -","- C296 H240 Cl16 F8 N40 O24 -","8","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.0982","0.0643","","","0.1624","0.1833","","","","","","1.036","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157025","15.553","0.0009","8.7812","0.0006","22.8541","0.0013","90","","106.896","0.0017","90","","2986.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Br N3 O4 -","- C35 H28 Br N3 O4 -","- C140 H112 Br4 N12 O16 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1433","0.0682","","","0.1639","0.1958","","","","","","1.03","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157026","11.932","0.002","7.8696","0.0017","16.941","0.004","90","","106.606","0.007","90","","1524.4","0.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N5 O3 -","- C37 H31 N5 O3 -","- C74 H62 N10 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1509","0.0816","","","0.2124","0.2581","","","","","","0.972","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157027","7.9066","0.0007","12.8759","0.0012","15.1112","0.0012","93.932","0.003","100.459","0.003","98.838","0.003","1487.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N5 O2 -","- C36 H28 Cl N5 O2 -","- C72 H56 Cl2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1593","0.0705","","","0.1395","0.1706","","","","","","1.016","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157028","9.696","0.004","24.284","0.009","12.449","0.005","90","","100.612","0.011","90","","2881","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N4 O3 -","- C36 H28 N4 O3 -","- C144 H112 N16 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.2923","0.0925","","","0.1603","0.2236","","","","","","1.014","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157030","8.1478","0.0003","12.7979","0.0004","15.6927","0.0005","90","","101.559","0.001","90","","1603.17","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl3 N O9 -","- C31 H40 Cl3 N O9 -","- C62 H80 Cl6 N2 O18 -","2","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0725","0.071","","","0.1882","0.19","","","","","","1.101","","","","has coordinates,has disorder","225280","2020-10-21","18:00:00",""
"7157031","10.9844","0.0004","12.425","0.0005","19.6238","0.0008","90","","90","","90","","2678.28","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O7 -","- C30 H37 N O7 -","- C120 H148 N4 O28 -","4","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0325","0.0311","","","0.0772","0.0786","","","","","","1.034","","","","has coordinates","225280","2020-10-21","18:00:00",""
"7157032","11.2462","0.0014","16.3107","0.0019","25.345","0.003","90","","90","","90","","4649.1","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N O13 -","- C47 H45 N O13 -","- C188 H180 N4 O52 -","4","1","","Lu, Kui; Li, Ming; Huang, Yuna; Sun, Yuanyuan; Gong, Zhi; Wei, Qijun; Zhao, Xia; Zhang, Yongmin; Yu, Peng","Total synthesis of wikstrol A and wikstrol B.","Organic & biomolecular chemistry","2019","17","35","8206","8213","10.1039/c9ob01219b","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","225272","2020-10-21","18:00:00",""
"7157033","22.6531","0.001","11.2558","0.0004","20.1149","0.0009","90","","105.379","0.001","90","","4945.2","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N O4 P -","- C29 H24 N O4 P -","- C232 H192 N8 O32 P8 -","8","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.1032","0.0552","","","0.1239","0.1457","","","","","","1.0759","","","","has coordinates","225276","2020-10-21","18:00:00",""
"7157034","10.4035","0.0016","10.59","0.0016","13.0053","0.0019","89.785","0.005","77.673","0.005","69.24","0.004","1304.9","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 N O2 P -","- C31 H28 N O2 P -","- C62 H56 N2 O4 P2 -","2","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.1853","0.0768","","","0.1396","0.1745","","","","","","1.0676","","","","has coordinates","225276","2020-10-21","18:00:00",""
"7157035","17.0617","0.0008","13.611","0.0006","11.3034","0.0006","90","","106.03","0.002","90","","2522.9","0.2","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.0933","0.0565","","","0.1418","0.1596","","","","","","1.0516","","","","has coordinates","225276","2020-10-21","18:00:00",""
"7157036","13.387","0.0008","12.8591","0.0008","12.5553","0.0008","90","","90","","90","","2161.3","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Magyar, Christina L.; Wall, Tyler J.; Davies, Steven B.; Campbell, Molly V.; Barna, Haven A.; Smith, Sydney R.; Savich, Christopher J.; Mosey, R. Adam","Triflic anhydride mediated synthesis of 3,4-dihydroquinazolines: a three-component one-pot tandem procedure.","Organic & biomolecular chemistry","2019","17","34","7995","8000","10.1039/c9ob01596e","","","0.71073","MoKα","","0.0478","0.04","","","0.0967","0.1035","","","","","","1.055","","","","has coordinates","225281","2020-10-21","18:00:00",""
"7157037","9.97968","0.00004","10.81315","0.00005","27.7238","0.00012","90","","90","","90","","2991.72","0.02","283","9","283","9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 O6 -","- C31 H45 O6 -","- C124 H180 O24 -","4","1","","Duan, Yulin; Xie, Shuangshuang; Guo, Yi; Qiao, Yuben; Shi, Zhengyi; Tao, Li; Deng, Mengyi; Cao, Yunfang; Xue, Yongbo; Qi, Changxing; Zhang, Yonghui","Przewalcyrones A-F, epoxychromene-containing polycyclic polyprenylated acylphloroglucinols with immunosuppressive activity from Hypericum przewalskii Maxim.","Organic & biomolecular chemistry","2019","17","35","8234","8242","10.1039/c9ob01500k","","x-ray","1.54184","CuKα","","0.0419","0.0414","","","0.1248","0.1254","","","","","","1.03","","","","has coordinates","225278","2020-10-21","18:00:00",""
"7157038","17.483","0.005","8.483","0.005","24.544","0.005","90","0.005","97.103","0.005","90","0.005","3612","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N O9 S -","- C39 H39 N O9 S -","- C156 H156 N4 O36 S4 -","4","1","","Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal","Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.","Organic & biomolecular chemistry","2019","17","35","8149","8152","10.1039/c9ob01369e","","","0.71073","MoKα","","0.1927","0.1027","","","0.1496","0.1748","","","","","","1.165","","","","has coordinates","225275","2020-10-21","18:00:00",""
"7157039","9.539","0.005","9.87","0.005","15.022","0.005","95.665","0.005","97.294","0.005","99.247","0.005","1374.4","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H30 O7 -","- C31 H30 O7 -","- C62 H60 O14 -","2","1","","Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal","Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.","Organic & biomolecular chemistry","2019","17","35","8149","8152","10.1039/c9ob01369e","","","0.71073","MoKα","","0.1477","0.0806","","","0.197","0.232","","","","","","1.037","","","","has coordinates","225275","2020-10-21","18:00:00",""
"7157040","9.0014","0.0013","9.5478","0.0013","23.864","0.003","91.65","0.002","95.15","0.002","113.925","0.002","1862.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N2 O6 -","- C48 H38 N2 O6 -","- C96 H76 N4 O12 -","2","1","","Muthusamy, Sengodagounder; Prabu, Ammasi; Suresh, Eringathodi","Copper-catalyzed synthesis of spiro-indolofurobenzopyrans: tandem reactions of diazoamides and O-propargyl salicylaldehydes.","Organic & biomolecular chemistry","2019","17","35","8088","8093","10.1039/c9ob01275c","","","0.71073","MoKα","","0.052","0.0465","","","0.1249","0.1282","","","","","","1.099","","","","has coordinates","225273","2020-10-21","18:00:00",""
"7157041","14.4652","0.0012","15.665","0.003","8.435","0.002","90","","91.931","0.007","90","","1910.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-(6,7-dihydro-5H-[1,2,3]triazolo[5',1':3,4][1,4]diazepino[1,2-a]indole-1-carbonyl)phenyl)acetamide","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gour, Jitendra; Gatadi, Srikanth; Akunuri, Ravikumar; Yaddanapudi, Madhavi Venkata; Nengroo, Mushtaq Ahmad; Datta, Dipak; Chopra, Sidharth; Nanduri, Srinivas","Catalyst-free facile synthesis of polycyclic indole/pyrrole substituted-1,2,3-triazoles.","Organic & biomolecular chemistry","2019","17","35","8153","8165","10.1039/c9ob01560d","","","0.71073","MoKα","","0.0772","0.0533","","","0.1497","0.1703","","","","","","1.172","","","","has coordinates,has disorder","225274","2020-10-21","18:00:00",""
"7157042","10.4975","0.0002","14.8593","0.0004","7.2597","0.0002","90","","101.37","0.001","90","","1110.18","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","RSR-4e","","- C12 H6 Cl2 N2 O2 -","- C12 H6 Cl2 N2 O2 -","- C48 H24 Cl8 N8 O8 -","4","1","","Sreenivasa Rao, Ramana; Shajan, Femil Joseph; Reddy, D. Srinivasa","A route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones.","Organic & biomolecular chemistry","2019","17","36","8384","8390","10.1039/c9ob01462d","","","0.71073","MoKα","","0.0544","0.0398","","","0.0753","0.0801","","","","","","1.071","","","","has coordinates,has disorder","225269","2020-10-21","18:00:00",""
"7157043","7","0.0003","10.6452","0.0005","18.2521","0.0008","90","","98.614","0.001","90","","1344.74","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 -","- C18 H13 Br N2 -","- C72 H52 Br4 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.0367","0.0271","","","0.0645","0.0684","","","","","","1.022","","","","has coordinates","225277","2020-10-21","18:00:00",""
"7157044","7.50014","0.00011","16.7058","0.0002","22.9329","0.0003","90","","90","","90","","2873.4","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,9,11-Tetraphenylquinazolino[7,8-h]quinazolinium perchlorate","","- C38 H25 Cl N4 O4 -","- C38 H25 Cl N4 O4 -","- C152 H100 Cl4 N16 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","x-ray","1.54184","CuKα","","0.0423","0.0393","","","0.1024","0.1055","","","","","","1.055","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157045","20.993","0.007","16.92","0.006","13.496","0.005","90","","119.796","0.006","90","","4160","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N5 O7 -","- C24 H15 N5 O7 -","- C192 H120 N40 O56 -","8","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1716","0.0936","","","0.1478","0.1758","","","","","","1.075","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157046","4.6952","0.001","20.135","0.004","14.864","0.003","90","","93.406","0.004","90","","1402.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Ethoxycarbamoylpyrido[2,3-e]acenaphthene","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.0991","0.085","","","0.1778","0.1877","","","","","","1.004","","","","has coordinates","225277","2020-10-21","18:00:00",""
"7157047","21.179","0.004","7.379","0.0015","22.305","0.004","90","","96.923","0.004","90","","3460.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1047","0.0663","","","0.1211","0.1296","","","","","","1.01","","","","has coordinates","225277","2020-10-21","18:00:00",""
"7157048","10.755","0.003","14.1162","0.0014","15.1222","0.0015","117.094","0.002","99.24","0.002","90.86","0.002","2007.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.67 N2 O1.33 -","- C18 H14.6667 N2 O1.33333 -","- C108 H88 N12 O8 -","6","3","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1275","0.0523","","","0.0818","0.0998","","","","","","1.011","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157049","10.238","0.0004","10.6914","0.0005","19.2761","0.0008","90","","90","","90","","2109.93","0.16","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Br N5 O3 -","- C22 H22 Br N5 O3 -","- C88 H88 Br4 N20 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0213","0.0196","","","0.0435","0.0441","","","","","","1.044","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157050","17.594","0.002","10.7941","0.0013","25.355","0.003","90","","90","","90","","4815.2","1","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Br N5 O3 -","- C26 H24 Br N5 O3 -","- C208 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0565","0.0366","","","0.0747","0.0821","","","","","","1.018","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157051","20.5473","0.0009","10.6285","0.0004","22.3229","0.001","90","","108.475","0.001","90","","4623.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Br N5 O3 -","- C23 H24 Br N5 O3 -","- C184 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0464","0.033","","","0.0757","0.0812","","","","","","1.027","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157052","11.1047","0.0006","9.546","0.0005","22.3027","0.0013","90","","102.179","0.001","90","","2311","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl N3 O3 -","- C26 H26 Cl N3 O3 -","- C104 H104 Cl4 N12 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","1.54178","CuKα","","0.0332","0.0322","","","0.0782","0.0789","","","","","","1.051","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157053","9.7016","0.0006","11.8988","0.0007","12.2186","0.0007","65.813","0.002","85.063","0.002","89.505","0.002","1281.34","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Br N3 O3 -","- C30 H28 Br N3 O3 -","- C60 H56 Br2 N6 O6 -","2","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.0663","0.0684","","","","","","1.041","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157054","8.1114","0.0012","35.404","0.003","9.9824","0.0015","90","","104.195","0.016","90","","2779.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Br N O6 -","- C33 H30 Br N O6 -","- C132 H120 Br4 N4 O24 -","4","1","","Zhang, Wen-Hui; Zhou, Yan-You; He, Xue-Wen; Gong, Yi; Liu, Xiong-Li; Zhou, Ying","An asymmetric iminium ion catalysis-enabled cascade cycloaddition reaction of chromone-oxindole synthons with enals: construction of a spirooxindole-hexahydroxanthone framework.","Organic & biomolecular chemistry","2019","17","36","8369","8373","10.1039/c9ob01670h","","x-ray","1.54184","CuKα","","0.1422","0.0809","","","0.1684","0.2052","","","","","","1.028","","","","has coordinates","225263","2020-10-21","18:00:00",""
"7157055","28.608","0.003","28.608","0.003","11.5472","0.0012","90","","90","","120","","8184.3","1.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C432 H396 N36 O18 -","18","1","","Xu, Shengbo; Qiao, Shanshan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","Rhodium-catalyzed C-H activation/annulation of amidines with 4-diazoisochroman-3-imines toward isochromeno[3,4-c]isoquinolines.","Organic & biomolecular chemistry","2019","17","36","8417","8424","10.1039/c9ob01612k","","","1.34139","GaKα","","0.072","0.0577","","","0.1626","0.1796","","","","","","1.028","","","","has coordinates","225266","2020-10-21","18:00:00",""
"7157056","10.416","0.0016","20.705","0.003","10.7592","0.0019","90","","98.861","0.013","90","","2292.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","2","","Pan, Jin-Long; Liu, Tuan-Qing; Chen, Chao; Li, Quan-Zhe; Jiang, Wei; Ding, Tong-Mei; Yan, Zhi-Qiang; Zhu, Guo-Dong","Rhodium(iii)-catalysed cascade [3 + 2] annulation of N-aryloxyacetamides with 3-(hetero)arylpropiolic acids: synthesis of benzofuran-2(3H)-ones.","Organic & biomolecular chemistry","2019","17","37","8589","8600","10.1039/c9ob01553a","","","1.54178","CuKα","","0.0338","0.0309","","","0.0836","0.0872","","","","","","0.678","","","","has coordinates","225062","2020-10-21","18:00:00",""
"7157057","11.34869","0.00014","12.79403","0.00016","14.62274","0.00018","90","","90","","90","","2123.16","0.05","293","2","293","2","","","","","","","Emericella sp. XL029","3","P 21 21 21","P 2ac 2ab","19","","Emerone A","","- C22 H32 O8 -","- C9.77778 H13.3333 O4 -","- C88 H120 O36 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0496","0.0491","","","0.1157","0.1163","","","","","","1.161","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157058","7.68291","0.00011","12.60214","0.00017","21.2697","0.0003","90","","90","","90","","2059.36","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Emerone B","","- C21 H30 O7 -","- C9.77778 H13.3333 O3.11111 -","- C88 H120 O28 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.079","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157059","18.3522","0.0013","11.8099","0.0008","10.9691","0.0005","90","","97.346","0.006","90","","2357.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F2 N4 S -","- C25 H28 F2 N4 S -","- C100 H112 F8 N16 S4 -","4","1","","Peng, Xiangjun; Qin, Feng; Xu, Mengyue; Zhu, Shaojie; Pan, Yingming; Tang, Haitao; Meng, Xiujin; Wang, Hengshan","Synthesis of imidazo[1,2-c]thiazoles through Pd-catalyzed bicyclization of tert-butyl isonitrile with thioamides.","Organic & biomolecular chemistry","2019","17","36","8403","8407","10.1039/c9ob01664c","","x-ray","1.54184","CuKα","","0.107","0.0844","","","0.3912","0.245","","","","","","1.076","","","","has coordinates","225265","2020-10-21","18:00:00",""
"7157060","8.7442","0.001","11.0021","0.0012","14.959","0.0016","95.314","0.001","106.955","0.001","109.24","0.001","1271","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O2 S -","- C26 H24 Cl2 N2 O2 S -","- C52 H48 Cl4 N4 O4 S2 -","2","1","","Wu, Hao; Liu, Yu; He, Ming-Xing; Wen, Hao; Cao, Wei; Chen, Ping; Tang, Yu","Preparation of isoquinazolines via metal-free [4 + 2] cycloaddition of ynamides with nitriles.","Organic & biomolecular chemistry","2019","17","36","8408","8416","10.1039/c9ob01395d","","","0.71073","MoKα","","0.0693","0.0439","","","0.1046","0.1168","","","","","","1.028","","","","has coordinates","225270","2020-10-21","18:00:00",""
"7157061","32.295","0.004","10.4015","0.0011","30.021","0.004","90","","102.706","0.003","90","","9838","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 N O2 S2 -","- C31 H21 N O2 S2 -","- C496 H336 N16 O32 S32 -","16","2","","Price, Jayden; Albright, Emily; Decken, Andreas; Eisler, Sara","Thioarylmaleimides: Accessible, tunable, and strongly emissive building blocks","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01741K","","x-ray","0.71073","MoKα","","0.045","0.0354","","","0.0877","0.0937","","","","","","1.02","","","","has coordinates","217954","2020-10-21","18:00:00",""
"7157062","9.3497","0.00018","9.15478","0.00016","21.8715","0.0004","90","","92.8985","0.0015","90","","1869.68","0.06","293.1","0.3","293.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Chen, Lian-Mei; Zhao, Juan; Xia, An-Jie; Guo, Xiao-Qiang; Gan, Ya; Zhou, Chuang; Yang, Zai-Jun; Yang, Jun; Kang, Tai-Ran","A base-promoted cascade reaction of α,β-unsaturated N-tosylhydrazones with o-hydroxybenzyl alcohols: highly regioselective synthesis of N-sec-alkylpyrazoles.","Organic & biomolecular chemistry","2019","17","37","8561","8570","10.1039/c9ob01780a","","x-ray","1.54184","CuKα","","0.0574","0.0505","","","0.1393","0.151","","","","","","1.027","","","","has coordinates","225061","2020-10-21","18:00:00",""
"7157063","8.94","0.0007","10.9431","0.0008","14.3252","0.0012","90","","101.51","0.008","90","","1373.27","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Chen, Guojun; Li, Chenglong; Peng, Jianfeng; Yuan, Zeli; Liu, Peijun; Liu, Xiaozu","Silver-promoted decarboxylative radical addition/annulation of oxamic acids with gem-difluoroolefins: concise access to CF<sub>2</sub>-containing 3,4-dihydroquinolin-2-ones.","Organic & biomolecular chemistry","2019","17","37","8527","8532","10.1039/c9ob01236b","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1061","0.1152","","","","","","1.046","","","","has coordinates","225063","2020-10-21","18:00:00",""
"7157064","11.7613","0.001","7.26","0.0004","15.9064","0.0013","90","","101.506","0.004","90","","1330.91","0.17","296","2","296.58","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F7 N3 O -","- C9 H12 F7 N3 O -","- C36 H48 F28 N12 O4 -","4","1","","Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun","Photo- and dioxygen-enabled radical C(sp<sup>3</sup>)-N(sp<sup>2</sup>) cross-coupling between guanidines and perfluoroalkyl iodides.","Organic & biomolecular chemistry","2019","17","38","8695","8700","10.1039/c9ob01520e","","","0.71073","MoKα","","0.157","0.1231","","","0.3689","0.4095","","","","","","1.566","","","","has coordinates","225292","2020-10-21","18:00:00",""
"7157065","10.986","0.018","9.949","0.016","10.414","0.017","90","","98.87","0.02","90","","1125","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 F7 N3 O -","- C7 H8 F7 N3 O -","- C28 H32 F28 N12 O4 -","4","1","","Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun","Photo- and dioxygen-enabled radical C(sp<sup>3</sup>)-N(sp<sup>2</sup>) cross-coupling between guanidines and perfluoroalkyl iodides.","Organic & biomolecular chemistry","2019","17","38","8695","8700","10.1039/c9ob01520e","","","0.71073","MoKα","","0.1485","0.0681","","","0.1687","0.2164","","","","","","1.021","","","","has coordinates,has disorder","225292","2020-10-21","18:00:00",""
"7157066","7.6514","0.0003","11.634","0.0004","13.327","0.0005","76.022","0.002","79.269","0.002","86.003","0.002","1130.68","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C46 H46 N2 O16 S2 -","2","1","","Liu, Yanfei; Wu, Jiaping; Qian, Baiyang; Shang, Yongjia","Controllable construction of isoquinolinedione and isocoumarin scaffolds via Rh<sup>III</sup>-catalyzed C-H annulation of N-tosylbenzamides with diazo compounds.","Organic & biomolecular chemistry","2019","17","38","8768","8777","10.1039/c9ob01789e","","","0.71073","MoKα","","0.0613","0.0465","","","0.1398","0.1566","","","","","","1.018","","","","has coordinates","225294","2020-10-21","18:00:00",""
"7157067","10.679","0.0007","12.0178","0.0008","11.2241","0.0007","90","","112.326","0.0014","90","","1332.5","0.15","123","0.1","123","0.1","","","","","","","dichloromethane/pentane","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N O4 P S -","- C25 H38 N O4 P S -","- C50 H76 N2 O8 P2 S2 -","2","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates","225295","2020-10-21","18:00:00",""
"7157068","10.584","0.0006","15.7917","0.0008","18.4493","0.001","90","","90","","90","","3083.6","0.3","253","0.1","253","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N O5 P S -","- C30 H44 N O5 P S -","- C120 H176 N4 O20 P4 S4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.044","0.0437","","","0.1133","0.1137","","","","","","1.137","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157069","16.0321","0.0005","6.1532","0.0002","9.7828","0.0003","90","","90","","90","","965.06","0.05","253","0.1","253","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N -","- C10 H12 Br N -","- C40 H48 Br4 N4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0662","0.0656","","","0.1579","0.1582","","","","","","1.145","","","","has coordinates","225295","2020-10-21","18:00:00",""
"7157070","10.7127","0.0002","10.7127","0.0002","27.9476","0.0006","90","","90","","90","","3207.32","0.11","253","0.1","253","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H42 Cl2 N2 O4 P2 -","- C31 H42 Cl2 N2 O4 P2 -","- C124 H168 Cl8 N8 O16 P8 -","4","0.5","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.028","0.0278","","","0.0741","0.0744","","","","","","1.054","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157071","31.713","0.006","9.7","0.0019","18.993","0.004","90","","121.61","0.03","90","","4976","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C232 H224 N16 O32 -","8","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.1426","0.0677","","","0.15","0.1898","","","","","","1.004","","","","has coordinates","225290","2020-10-21","18:00:00",""
"7157072","9.394","0.0019","10.781","0.002","13.904","0.003","90","","106.87","0.03","90","","1347.6","0.5","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C62 H58 N6 O10 -","2","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.0931","0.0626","","","0.1457","0.1651","","","","","","1.003","","","","has coordinates","225290","2020-10-21","18:00:00",""
"7157073","11.7759","0.0006","8.847","0.0004","23.5375","0.0011","90","","90.994","0.002","90","","2451.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Br3 O4 -","- C27 H21 Br3 O4 -","- C108 H84 Br12 O16 -","4","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0404","0.0285","","","0.0643","0.069","","","","","","1.025","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157074","8.6085","0.0008","9.1123","0.0008","10.0471","0.001","74.183","0.003","80.293","0.003","85.184","0.003","746.83","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br2 Cl O2 -","- C16 H11 Br2 Cl O2 -","- C32 H22 Br4 Cl2 O4 -","2","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0292","0.0217","","","0.0468","0.0491","","","","","","1.038","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157075","11.4092","0.0009","14.1314","0.001","15.9669","0.0012","109.501","0.002","99.298","0.003","101.718","0.002","2301.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Br6 O9 S -","- C49 H34 Br6 O9 S -","- C98 H68 Br12 O18 S2 -","2","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0572","0.0386","","","0.0939","0.1028","","","","","","1.02","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157076","8.0552","0.0004","10.2825","0.0005","11.7512","0.0006","86.964","0.0012","71.0335","0.0012","70.4039","0.0012","865.45","0.08","298","2","297.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl3 N2 O3 -","- C16 H13 Cl3 N2 O3 -","- C32 H26 Cl6 N4 O6 -","2","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.0627","0.0455","","","0.1173","0.1292","","","","","","1.044","","","","has coordinates","225114","2020-10-21","18:00:00",""
"7157077","15.3319","0.0009","6.1459","0.0004","13.6122","0.0008","90","","106.075","0.002","90","","1232.5","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.0754","0.0565","","","0.147","0.1677","","","","","","0.956","","","","has coordinates","225114","2020-10-21","18:00:00",""
"7157078","7.6987","0.0004","11.0695","0.0005","16.7175","0.0008","90","","98.836","0.001","90","","1407.77","0.12","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.1377","0.0794","","","0.2007","0.224","","","","","","1.452","","","","has coordinates","225114","2020-10-21","18:00:00",""
"7157079","8.8995","0.0004","12.8103","0.0006","13.9893","0.0006","90","","90","","90","","1594.85","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br O4 -","- C18 H13 Br O4 -","- C72 H52 Br4 O16 -","4","1","","Shi, Taoda; Teng, Shenghan; Gopi Krishna Reddy, Alavala; Guo, Xin; Zhang, Yueteng; Moore, Kohlson T.; Buckley, Thomas; Mason, Damian J.; Wang, Wei; Chapman, Eli; Hu, Wenhao","Catalytic asymmetric synthesis of 2,5-dihydrofurans using synergistic bifunctional Ag catalysis.","Organic & biomolecular chemistry","2019","17","38","8737","8744","10.1039/c9ob01903k","","","0.71073","MoKα","","0.0367","0.0297","","","0.0649","0.0679","","","","","","1.058","","","","has coordinates","225293","2020-10-21","18:00:00",""
"7157080","12.8963","0.0005","13.1501","0.0003","17.101","0.0005","92.305","0.002","111.817","0.003","103.594","0.003","2590.69","0.16","289","3","289","3","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","- C100 H104 N8 O8 -","2","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0637","0.0537","","","0.1524","0.1603","","","","","","1.068","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157081","8.7924","0.0003","10.9272","0.0003","18.098","0.0007","90","","90","","90","","1738.79","0.1","296.93","0.13","296.93","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F N2 O2 -","- C21 H17 F N2 O2 -","- C84 H68 F4 N8 O8 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0412","0.0334","","","0.0774","0.0822","","","","","","1.019","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157082","11.2543","0.0004","11.6498","0.0003","23.6897","0.0007","90","","90","","90","","3105.96","0.16","295.01","0.13","295.01","0.13","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0828","0.0522","","","0.1143","0.1336","","","","","","1.059","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157083","8.7087","0.0006","24.853","0.0016","10.406","0.0008","90","","110.876","0.008","90","","2104.4","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br N2 O3 S -","- C23 H23 Br N2 O3 S -","- C92 H92 Br4 N8 O12 S4 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0532","0.0402","","","0.0884","0.0936","","","","","","1.056","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157084","11.5219","0.0011","11.4926","0.0009","15.5242","0.0014","90","","92.72","0.003","90","","2053.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.","Organic & biomolecular chemistry","2019","17","39","8858","8870","10.1039/c9ob01963d","","","0.71073","MoKα","","0.0875","0.0588","","","0.1456","0.1773","","","","","","1.067","","","","has coordinates","225110","2020-10-21","18:00:00",""
"7157085","16.0878","0.0015","7.3312","0.0008","19.996","0.002","90","","101.831","0.005","90","","2308.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl2 N2 O2 -","- C25 H26 Cl2 N2 O2 -","- C100 H104 Cl8 N8 O8 -","4","1","","Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.","Organic & biomolecular chemistry","2019","17","39","8858","8870","10.1039/c9ob01963d","","","0.71073","MoKα","","0.0687","0.0457","","","0.1082","0.1252","","","","","","1.045","","","","has coordinates","225110","2020-10-21","18:00:00",""
"7157086","15.6522","0.001","13.6042","0.0007","12.4636","0.0008","90","","107.449","0.007","90","","2531.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C124 H108 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.083","0.056","","","0.1417","0.1878","","","","","","1.09","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157087","10.605","0.0004","16.0358","0.0005","16.1366","0.0005","69.467","0.003","72.006","0.003","89.666","0.003","2427.91","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N2 O10 S2 -","- C56 H58 N2 O10 S2 -","- C112 H116 N4 O20 S4 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0811","0.0571","","","0.1296","0.1489","","","","","","1.044","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157088","9.2545","0.0007","9.0908","0.0005","32.563","0.003","90","","96.115","0.007","90","","2724","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N O4 S -","- C33 H31 N O4 S -","- C132 H124 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.1096","0.0709","","","0.1451","0.1715","","","","","","1.068","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157089","9.2331","0.0007","9.4073","0.0007","15.2033","0.0012","90","","91.611","0.007","90","","1320.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C64 H58 N2 O8 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0764","0.056","","","0.1297","0.1724","","","","","","1.097","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157090","9.1034","0.0002","9.5264","0.0003","15.9591","0.0004","90","","91.547","0.002","90","","1383.51","0.06","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O5 S -","- C33 H31 N O5 S -","- C66 H62 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0352","0.0324","","","0.0897","0.0933","","","","","","0.927","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157091","8.3119","0.0004","24.2166","0.0014","11.0613","0.0005","90","","93.864","0.005","90","","2221.4","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N2 O8 S2 -","- C52 H50 N2 O8 S2 -","- C104 H100 N4 O16 S4 -","2","0.5","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0697","0.0503","","","0.1139","0.1321","","","","","","1.042","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157092","6.0337","0.0002","12.7989","0.0004","15.3967","0.0005","83.2254","0.0014","79.7254","0.0012","82.5173","0.0012","1154.49","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O5 -","- C27 H23 N O5 -","- C54 H46 N2 O10 -","2","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.0592","0.0478","","","0.1204","0.1318","","","","","","1.026","","","","has coordinates","225113","2020-10-21","18:00:00",""
"7157093","11.6409","0.0014","11.8981","0.0011","12.5461","0.0014","67.133","0.005","76.352","0.005","89.759","0.005","1548.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C72 H68 N4 O8 -","2","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.1481","0.0563","","","0.1161","0.158","","","","","","0.949","","","","has coordinates","225113","2020-10-21","18:00:00",""
"7157094","9.932","0.0003","12.9438","0.0004","18.2127","0.0004","90","","92.2716","0.0014","90","","2339.55","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.0758","0.049","","","0.1221","0.1384","","","","","","1.045","","","","has coordinates","225113","2020-10-21","18:00:00",""
"7157095","10.0137","0.0014","11.9245","0.0016","12.3604","0.0017","80.619","0.004","82.259","0.004","67.699","0.004","1343","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cl N O4 -","- C35 H22 Cl N O4 -","- C70 H44 Cl2 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0923","0.0499","","","0.1044","0.1204","","","","","","1.036","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157096","16.1126","0.0018","14.9541","0.0014","8.7949","0.0009","90","","104.805","0.004","90","","2048.8","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 Br O3 -","- C28 H15 Br O3 -","- C112 H60 Br4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1238","0.0498","","","0.0852","0.105","","","","","","1.009","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157097","7.6023","0.0003","14.1593","0.0006","14.3949","0.0007","112.791","0.0013","94.3666","0.0014","96.6561","0.0014","1406.45","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Cl O3 -","- C34 H19 Cl O3 -","- C68 H38 Cl2 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0649","0.0468","","","0.1149","0.1237","","","","","","1.043","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157098","11.5199","0.0016","11.9192","0.0018","12.6746","0.0019","109.822","0.004","108.543","0.004","99.91","0.004","1473.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 Br N2 O3 -","- C37 H27 Br N2 O3 -","- C74 H54 Br2 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.244","0.0815","","","0.1039","0.1395","","","","","","1.002","","","","has coordinates,has disorder","225193","2020-10-21","18:00:00",""
"7157099","12.672","0.002","14.322","0.003","15.13","0.003","80.53","0.005","89.793","0.005","68.279","0.005","2511.3","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Br O3 -","- C34 H19 Br O3 -","- C136 H76 Br4 O12 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1518","0.0661","","","0.1311","0.1597","","","","","","1.015","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157100","11.465","0.002","11.89","0.003","12.656","0.003","110.391","0.007","108.863","0.006","98.617","0.007","1461.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1425","0.0661","","","0.1454","0.1753","","","","","","1.01","","","","has coordinates,has disorder","225193","2020-10-21","18:00:00",""
"7157101","12.5801","0.0011","29.118","0.002","7.2563","0.0007","90","","98.229","0.003","90","","2630.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br N O2 -","- C32 H18 Br N O2 -","- C128 H72 Br4 N4 O8 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1867","0.0784","","","0.1713","0.2118","","","","","","1.021","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157102","9.9903","0.0007","12.0129","0.0008","12.3878","0.0008","80.372","0.002","82.962","0.002","68.265","0.002","1358.56","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Br N O4 -","- C35 H22 Br N O4 -","- C70 H44 Br2 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0809","0.0409","","","0.085","0.0981","","","","","","1.004","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157103","11.4707","0.0009","17.0265","0.0014","17.1384","0.0016","68.014","0.003","87.526","0.003","70.835","0.002","2919.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H52 Cl2 N2 O8 -","- C73 H52 Cl2 N2 O8 -","- C146 H104 Cl4 N4 O16 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.244","0.1287","","","0.3281","0.3991","","","","","","1.021","","","","has coordinates,has disorder","225193","2020-10-21","18:00:00",""
"7157104","6.8857","0.0002","16.5875","0.0005","24.9506","0.0007","90","","93.9567","0.0009","90","","2842.98","0.14","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 Cl4 O3 -","- C34 H18 Cl4 O3 -","- C136 H72 Cl16 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1192","0.0871","","","0.2267","0.2479","","","","","","1.082","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157105","14.3618","0.0006","16.8874","0.0008","19.6152","0.0009","77.2599","0.0014","71.5053","0.0014","73.2936","0.0015","4277.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Br O3 -","- C34 H19 Br O3 -","- C204 H114 Br6 O18 -","6","3","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1346","0.0705","","","0.1642","0.193","","","","","","1.028","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157106","7.4625","0.0005","14.4575","0.001","14.4842","0.0009","111.262","0.0018","99.696","0.002","94.536","0.002","1418.71","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1126","0.0651","","","0.1636","0.1869","","","","","","1.025","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157107","44.64","0.002","6.5823","0.0003","11.7225","0.0007","90","","90","","90","","3444.5","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H46 B2 O4 Se2 Si2 -","- C26 H46 B2 O4 Se2 Si2 -","- C104 H184 B8 O16 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","x-ray","0.71073","MoKα","","0.0727","0.0524","","","0.1193","0.1271","","","","","","1.032","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157108","9.6143","0.0009","16.0071","0.0015","13.8424","0.0013","90","","94.363","0.001","90","","2124.1","0.3","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Rp,Rp)-1","","- C49 H37 Cl3 Se4 -","- C49 H37 Cl3 Se4 -","- C98 H74 Cl6 Se8 -","2","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0393","0.0335","","","0.081","0.0835","","","","","","1.043","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157109","9.4081","0.0004","14.8474","0.0006","20.854","0.0008","90","","90","","90","","2913","0.2","273","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Sp)-4","","- C30 H36 Se2 Si2 -","- C30 H36 Se2 Si2 -","- C120 H144 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0257","0.0215","","","0.046","0.047","","","","","","0.941","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157110","15.3447","0.0004","10.116","0.0002","10.7205","0.0003","90","","109.892","0.001","90","","1564.82","0.07","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun","Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.","Organic & biomolecular chemistry","2019","17","39","8811","8815","10.1039/c9ob01832h","","","1.34139","GaKα","","0.0595","0.0447","","","0.1046","0.1137","","","","","","1.03","","","","has coordinates","225112","2020-10-21","18:00:00",""
"7157111","16.6547","0.0007","13.5081","0.0006","16.2182","0.0007","90","","117.968","0.001","90","","3222.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","2","","Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun","Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.","Organic & biomolecular chemistry","2019","17","39","8811","8815","10.1039/c9ob01832h","","","0.71073","MoKα","","0.1184","0.0545","","","0.1119","0.1468","","","","","","1.026","","","","has coordinates","225112","2020-10-21","18:00:00",""
"7157112","11.896","0.0007","10.6048","0.0005","13.5243","0.0008","90","","109.984","0.006","90","","1603.42","0.17","125.3","","125.3","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H36 F2 N4 O4 S -","- C35 H36 F2 N4 O4 S -","- C70 H72 F4 N8 O8 S2 -","2","1","","Zhou, Yuxuan; Ma, Fanghui; Lu, Ping; Wang, Yanguang","Preparation of spiro[imidazolidine-4,3'-indolin]-2'-imines via copper(i)-catalyzed formal [2 + 2 + 1] cycloaddition of 3-diazoindolin-2-imines and triazines.","Organic & biomolecular chemistry","2019","17","39","8849","8852","10.1039/c9ob01767d","","","0.71073","MoKα","","0.0591","0.0518","","","0.1269","0.1349","","","","","","1.038","","","","has coordinates","225109","2020-10-21","18:00:00",""
"7157113","5.6468","0.0005","12.0159","0.001","14.1013","0.0013","81.991","0.005","89.552","0.005","82.145","0.005","938.51","0.14","150","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br N O -","- C10 H8 Br N O -","- C40 H32 Br4 N4 O4 -","4","2","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.082","0.0631","","","0.1577","0.1658","","","","","","1.182","","","","has coordinates","225191","2020-10-21","18:00:00",""
"7157114","9.93","0.003","9.524","0.003","24.977","0.008","90","","90","","90","","2362.2","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C96 H88 Br8 N16 O16 -","8","1","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.0829","0.0451","","","0.0978","0.1142","","","","","","1.058","","","","has coordinates","225191","2020-10-21","18:00:00",""
"7157115","11.026","0.002","15.703","0.003","12.684","0.003","90","","98.83","0.03","90","","2170.1","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","1","","Xu, Zhong-Qi; Wang, Wen-Bo; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines.","Organic & biomolecular chemistry","2019","17","40","9026","9038","10.1039/c9ob01847f","","","0.71073","MoKα","","0.0775","0.0644","","","0.1619","0.172","","","","","","1.084","","","","has coordinates","225194","2020-10-21","18:00:00",""
"7157116","10.622","0.002","10.722","0.002","11.698","0.002","78.63","0.03","78.84","0.03","67.46","0.03","1196.1","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N2 O4 S2 -","- C24 H23 Cl N2 O4 S2 -","- C48 H46 Cl2 N4 O8 S4 -","2","1","","Xu, Zhong-Qi; Wang, Wen-Bo; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines.","Organic & biomolecular chemistry","2019","17","40","9026","9038","10.1039/c9ob01847f","","","0.71073","MoKα","","0.057","0.0424","","","0.1104","0.119","","","","","","1.04","","","","has coordinates","225194","2020-10-21","18:00:00",""
"7157117","10.0311","0.0019","13.762","0.003","14.965","0.003","92.146","0.005","95.34","0.005","97.624","0.005","2036.1","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H64 N4 O7 -","- C38 H64 N4 O7 -","- C76 H128 N8 O14 -","2","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.3634","0.136","","","0.2802","0.381","","","","","","0.977","","","","has coordinates","225073","2020-10-21","18:00:00",""
"7157118","15.784","0.004","15.892","0.004","21.646","0.005","72.44","0.006","76.389","0.006","61.814","0.006","4534.9","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 N4 O7 -","- C43 H66 N4 O7 -","- C172 H264 N16 O28 -","4","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.2689","0.0904","","","0.2058","0.2864","","","","","","0.942","","","","has coordinates","225073","2020-10-21","18:00:00",""
"7157119","6.2833","0.00003","33.99155","0.00012","8.90762","0.00005","90","","107.114","0.0005","90","","1818.25","0.016","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H54 N2 O7 -","- C43 H54 N2 O7 -","- C86 H108 N4 O14 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0674","0.0679","","","","","","1.02","","","","has coordinates","225192","2020-10-21","18:00:00",""
"7157120","6.41147","0.00005","9.65864","0.00005","26.39665","0.00013","90","","91.6151","0.0006","90","","1633.99","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H49 N O6 S -","- C36 H49 N O6 S -","- C72 H98 N2 O12 S2 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.034","0.0334","","","0.0902","0.0908","","","","","","1.042","","","","has coordinates","225192","2020-10-21","18:00:00",""
"7157121","8.5498","0.0006","9.8965","0.0008","10.498","0.0008","86.67","0.002","77.284","0.002","65.193","0.002","785.94","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0549","0.0418","","","0.1048","0.1136","","","","","","1.052","","","","has coordinates","225071","2020-10-21","18:00:00",""
"7157122","11.2395","0.0013","9.4816","0.0009","32.652","0.003","90","","90","","90","","3479.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F3 N O S -","- C19 H16 F3 N O S -","- C152 H128 F24 N8 O8 S8 -","8","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0627","0.056","","","0.1417","0.1486","","","","","","0.991","","","","has coordinates","225071","2020-10-21","18:00:00",""
"7157123","7.5705","0.0005","11.9923","0.0007","27.772","0.002","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.0605","0.0481","","","0.112","0.1235","","","","","","1.039","","","","has coordinates","225072","2020-10-21","18:00:00",""
"7157124","7.6734","0.0005","11.9044","0.0008","27.0141","0.0017","90","","90","","90","","2467.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.1326","0.0785","","","0.1863","0.2507","","","","","","1.058","","","","has coordinates","225072","2020-10-21","18:00:00",""
"7157125","15.8495","0.0017","10.2381","0.0011","13.1866","0.0015","90","","104.544","0.012","90","","2071.2","0.4","295.54","0.1","295.54","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C80 H72 F16 N24 O8 -","8","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","x-ray","0.71073","MoKα","","0.0547","0.0381","","","0.0988","0.1081","","","","","","1.044","","","","has coordinates","225106","2020-10-21","18:00:00",""
"7157126","8.042","0.004","10.654","0.005","20.098","0.009","84.402","0.006","81.612","0.007","85.682","0.007","1692.2","1.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F9 N9 O3 -","- C30 H24 F9 N9 O3 -","- C60 H48 F18 N18 O6 -","2","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","","0.71073","MoKα","","0.1827","0.0816","","","0.1851","0.2402","","","","","","0.964","","","","has coordinates","225106","2020-10-21","18:00:00",""
"7157127","13.17","0.003","7.7111","0.0016","15.613","0.004","90","","105.44","0.01","90","","1528.4","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B F Fe O2 -","- C16 H20 B F Fe O2 -","- C64 H80 B4 F4 Fe4 O8 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0638","0.051","","","0.1353","0.145","","","","","","0.997","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157128","19.502","0.003","11.7498","0.0014","13.23","0.0018","90","","107.235","0.005","90","","2895.5","0.7","295","","295","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br F Fe Si -","- C13 H16 Br F Fe Si -","- C104 H128 Br8 F8 Fe8 Si8 -","8","2","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0661","0.0352","","","0.0767","0.0916","","","","","","1.019","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157129","12.4583","0.0014","14.7599","0.0014","20.49","0.002","90","","90","","90","","3767.8","0.7","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 B F Fe P -","- C22 H21 B F Fe P -","- C176 H168 B8 F8 Fe8 P8 -","8","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0545","0.0409","","","0.1055","0.1138","","","","","","1.053","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157130","7.2","0.0007","10.0755","0.0011","11.5617","0.0011","64.721","0.003","78.205","0.003","84.196","0.004","742.31","0.13","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C16 H12 F Fe I S -","- C16 H12 F Fe I S -","- C32 H24 F2 Fe2 I2 S2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.022","0.0205","","","0.0488","0.0496","","","","","","1.139","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157131","6.5459","0.001","10.4479","0.0017","15.037","0.002","90","","91.505","0.006","90","","1028","0.3","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br Cl F Fe -","- C10 H7 Br Cl F Fe -","- C40 H28 Br4 Cl4 F4 Fe4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.0787","0.0829","","","","","","1.057","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157132","12.21","0.0009","28.6668","0.0018","6.6319","0.0005","90","","100.875","0.003","90","","2279.6","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F Fe I2 -","- C10 H7 F Fe I2 -","- C80 H56 F8 Fe8 I16 -","8","2","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0683","0.0692","","","","","","1.275","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157133","8.8626","0.0014","11.0153","0.0019","20.456","0.003","90","","98.537","0.005","90","","1974.9","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F Fe I S Si -","- C19 H20 F Fe I S Si -","- C76 H80 F4 Fe4 I4 S4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0386","0.0345","","","0.0765","0.0782","","","","","","1.184","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157134","6.7304","0.001","13.738","0.003","17.564","0.003","90","","100.433","0.005","90","","1597.2","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F Fe I O2 Si -","- C14 H16 F Fe I O2 Si -","- C56 H64 F4 Fe4 I4 O8 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0799","0.0817","","","","","","1.53","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157135","8.1302","0.0013","10.5516","0.0014","14.7688","0.0019","107.406","0.004","93.634","0.005","98.033","0.005","1189.6","0.3","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H26 F Fe I O Si -","- C26 H26 F Fe I O Si -","- C52 H52 F2 Fe2 I2 O2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0276","0.0231","","","0.0556","0.0582","","","","","","1.068","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157136","6.6845","0.0013","15.913","0.004","10.315","0.002","90","","99.375","0.008","90","","1082.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl F Fe I -","- C10 H7 Cl F Fe I -","- C40 H28 Cl4 F4 Fe4 I4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.033","0.0294","","","0.0735","0.0754","","","","","","1.122","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157137","17.276","0.004","6.8553","0.0017","12.095","0.003","90","","100.988","0.008","90","","1406.2","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br F Fe Si -","- C13 H16 Br F Fe Si -","- C52 H64 Br4 F4 Fe4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0764","0.0665","","","0.1523","0.1566","","","","","","1.226","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157138","8.514","0.002","10.875","0.003","11.472","0.003","86.069","0.008","84.834","0.009","82.271","0.008","1046.5","0.5","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H24 F Fe I O2 Si -","- C21 H24 F Fe I O2 Si -","- C42 H48 F2 Fe2 I2 O4 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.0582","0.0602","","","","","","1.07","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157139","8.1007","0.001","10.7372","0.0015","14.989","0.002","108.19","0.005","93.055","0.004","97.786","0.004","1220.8","0.3","150","","150","","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C25 H25 F Fe I O P Si -","- C25 H25 F Fe I O P Si -","- C50 H50 F2 Fe2 I2 O2 P2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0379","0.0293","","","0.0669","0.072","","","","","","0.988","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157140","6.7234","0.0005","12.3647","0.0009","18.5635","0.0014","90","","91.338","0.003","90","","1542.8","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F Fe I O Si -","- C14 H16 F Fe I O Si -","- C56 H64 F4 Fe4 I4 O4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0493","0.0382","","","0.0729","0.0759","","","","","","1.121","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157141","7.148","0.0008","9.9469","0.0013","15.3417","0.0019","108.069","0.004","97.069","0.004","91.763","0.004","1026.4","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C20 H20 F Fe I O S Si -","- C20 H20 F Fe I O S Si -","- C40 H40 F2 Fe2 I2 O2 S2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0292","0.0238","","","0.0653","0.0679","","","","","","1.16","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157142","19.0038","0.0006","7.304","0.0002","25.2096","0.0007","90","","108.964","0.003","90","","3309.26","0.18","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N3 O3 -","- C19 H18 F N3 O3 -","- C152 H144 F8 N24 O24 -","8","2","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0639","0.0464","","","0.0959","0.1068","","","","","","1.036","","","","has coordinates","225105","2020-10-21","18:00:00",""
"7157143","15.516","0.005","9.876","0.004","23.035","0.007","90","","104.61","0.02","90","","3416","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Br2 N6 O6 -","- C36 H32 Br2 N6 O6 -","- C144 H128 Br8 N24 O24 -","4","1","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0991","0.0498","","","0.1058","0.1222","","","","","","1.011","","","","has coordinates","225105","2020-10-21","18:00:00",""
"7157144","24.8162","0.0005","11.0757","0.0002","34.2851","0.0007","90","","100.28","0.002","90","","9272.2","0.3","100.03","0.11","100.03","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H45 Br2 N6 O6 -","- C46 H45 Br2 N6 O6 -","- C368 H360 Br16 N48 O48 -","8","1","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0604","0.0512","","","0.1577","0.1653","","","","","","1.077","","","","has coordinates,has disorder","225105","2020-10-21","18:00:00",""
"7157145","8.5917","0.0013","13.421","0.002","21.279","0.003","90","","90","","90","","2453.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Lu, Min; Li, Hong; Zou, Chuncheng; Li, Jianchang; Liu, Chengyu; Sun, Maolin; Ma, Yueyue; Cheng, Ruihua; Ye, Jinxing","Primary amine catalyzed diastereo- and enantioselective Michael reaction of thiazolones and α,β-unsaturated ketones.","Organic & biomolecular chemistry","2019","17","42","9305","9312","10.1039/c9ob02067e","","","0.71073","MoKα","","0.0522","0.0433","","","0.1057","0.1114","","","","","","1.043","","","","has coordinates","225108","2020-10-21","18:00:00",""
"7157146","9.869","0.005","11.897","0.005","13.181","0.005","113.322","0.017","109.14","0.02","90.79","0.02","1324.1","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N O3.5 S3 -","- C26 H32 N O3.5 S3 -","- C52 H64 N2 O7 S6 -","2","1","","Heron, Bernard Mark; Aiken, Stuart; Gabbutt, Christopher; Rice, Craig; Zonidis, Dimitrios","Synthesis and Photochromism of Some Mono and Bis(Thienyl) Substituted Oxathiine 2,2-dioxides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02128K","","","0.71073","MoKα","","0.0778","0.0519","","","0.1309","0.1481","","","","","","1.027","","","","has coordinates,has disorder","219310","2020-10-21","18:00:00",""
"7157147","9.0518","0.0004","12.1315","0.0005","18.9731","0.0008","90","","90","","90","","2083.47","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","28","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0472","0.0403","","","0.0889","0.0922","","","","","","1.081","","","","has coordinates","225313","2020-10-21","18:00:00",""
"7157148","9.2149","0.0003","11.3488","0.0004","19.7251","0.0007","90","","90","","90","","2062.81","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","14","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0364","0.0342","","","0.0826","0.0843","","","","","","1.063","","","","has coordinates","225313","2020-10-21","18:00:00",""
"7157149","9.6081","0.0003","15.136","0.0004","11.7745","0.0003","90","","101.041","0.003","90","","1680.65","0.08","199.94","0.12","199.94","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 S -","- C22 H16 N2 S -","- C88 H64 N8 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.0829","0.073","","","0.1773","0.1856","","","","","","1.021","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157150","13.0978","0.0006","8.4281","0.0004","21.7783","0.0009","90","","103.164","0.004","90","","2340.92","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 S -","- C28 H20 N4 O4 S -","- C112 H80 N16 O16 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.1047","0.0749","","","0.1957","0.221","","","","","","1.054","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157151","8.7248","0.0013","8.5852","0.001","11.534","0.0017","90","","105.252","0.017","90","","833.5","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H14 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1186","0.062","","","0.1374","0.1707","","","","","","1.012","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157152","9.4466","0.0004","9.9176","0.0004","19.5777","0.0009","79.604","0.004","86.538","0.004","70.029","0.004","1695.59","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N8 O S2 -","- C40 H30 N8 O S2 -","- C80 H60 N16 O2 S4 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.0726","0.0633","","","0.1823","0.1937","","","","","","1.043","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157153","8.8175","0.001","10.9212","0.0015","10.9295","0.0016","76.676","0.012","67.685","0.012","89.692","0.01","943.5","0.2","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N2 O4 S -","- C24 H16 N2 O4 S -","- C48 H32 N4 O8 S2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.2095","0.0726","","","0.1194","0.1677","","","","","","0.925","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157154","9.6424","0.0015","15.1758","0.0017","11.7826","0.0013","90","","101.61","0.013","90","","1688.9","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 Se -","- C22 H16 N2 Se -","- C88 H64 N8 Se4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1725","0.0958","","","0.1745","0.2162","","","","","","1.058","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157155","9.5114","0.001","15.691","0.0017","11.5516","0.0011","90","","98.966","0.009","90","","1702.9","0.3","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 N2 S -","- C22 H14 F2 N2 S -","- C88 H56 F8 N8 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1595","0.1213","","","0.3057","0.3486","","","","","","1.0658","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157156","11.8825","0.0006","12.7306","0.0005","20.6914","0.0008","90.924","0.003","101.853","0.004","111.378","0.004","2838.3","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 N6 Se3 -","- C72 H60 N6 Se3 -","- C144 H120 N12 Se6 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.0669","0.0385","","","0.072","0.0808","","","","","","1.0209","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157157","6.4036","0.0012","7.8241","0.0019","14.538","0.003","85.37","0.003","89.441","0.002","70.995","0.002","686.3","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C32 H26 N2 O4 S2 -","2","1","","You, Guirong; Xi, Dan; Sun, Jian; Hao, Liqiang; Xia, Chengcai","Transition-metal- and oxidant-free three-component reaction of quinoline N-oxides, sodium metabisulfite and aryldiazonium tetrafluoroborates via a dual radical coupling process.","Organic & biomolecular chemistry","2019","17","43","9479","","10.1039/c9ob02106j","","","0.71073","MoKα","","0.0545","0.0424","","","0.1328","0.1445","","","","","","1.058","","","","has coordinates","225312","2020-10-21","18:00:00",""
"7157158","13.4238","0.0005","10.0908","0.0003","16.9778","0.0007","90","","96.486","0.004","90","","2285.04","0.15","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.","A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.","Organic & biomolecular chemistry","2019","17","43","9529","","10.1039/c9ob01967g","","x-ray","0.71073","MoKα","","0.1043","0.0677","","","0.1724","0.1975","","","","","","1.052","","","","has coordinates","225314","2020-10-21","18:00:00",""
"7157159","11.7236","0.0005","11.754","0.0005","17.2404","0.0008","73.252","0.004","73.789","0.004","71.074","0.004","2106.24","0.17","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C96 H104 N8 O12 -","4","2","","He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.","A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.","Organic & biomolecular chemistry","2019","17","43","9529","","10.1039/c9ob01967g","","x-ray","0.71073","MoKα","","0.09","0.058","","","0.123","0.1407","","","","","","1.044","","","","has coordinates,has disorder","225314","2020-10-21","18:00:00",""
"7157162","10.3112","0.0001","17.8036","0.0002","30.2278","0.0003","90","","90","","90","","5549.11","0.1","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C192 H152 N8 O64 -","8","2","","Lv, Dan; Zhao, Min; Wang, Youming; Zhou, Zhenghong","3-Nitro-3,4-dihydrocoumarins: Valuable precursors for the synthesis of enantiomerically enriched masked quaternary α-amino acid derivatives with a 3,4-dihydrocoumarin scaffold","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02089F","","x-ray","1.54184","CuKα","","0.0494","0.0445","","","0.1315","0.1372","","","","","","1.065","","","","has coordinates","219482","2020-10-21","18:00:00",""
"7157163","28.377","0.0019","7.1579","0.0005","19.4046","0.0016","90","","103.671","0.007","90","","3829.8","0.5","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C192 H152 N8 O40 -","8","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.0734","0.0515","","","0.1031","0.1135","","","","","","1.065","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157164","10.7035","0.0006","12.0971","0.0006","11.5118","0.0005","90","","91","0.005","90","","1490.34","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.0464","0.0395","","","0.0966","0.1022","","","","","","1.021","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157165","10.567","0.0008","21.4436","0.0016","9.5202","0.0009","90","","114.05","0.01","90","","1970","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F N O4 -","- C25 H18 F N O4 -","- C100 H72 F4 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.085","0.0557","","","0.108","0.1241","","","","","","1.032","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157166","9.2679","0.0007","11.9073","0.0008","18.539","0.0013","90","","102.734","0.001","90","","1995.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O3 -","- C25 H18 Br N O3 -","- C100 H72 Br4 N4 O12 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","","0.71073","MoKα","","0.0549","0.0365","","","0.0915","0.1022","","","","","","1.065","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157167","8.8536","0.0003","11.084","0.0004","15.3754","0.0006","90","","101.43","0.004","90","","1478.91","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F N O4 -","- C19 H14 F N O4 -","- C76 H56 F4 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.053","0.0437","","","0.1068","0.1131","","","","","","1.04","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157168","8.8644","0.0007","11.2698","0.0009","15.5335","0.0013","90","","98.749","0.001","90","","1533.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","","0.71073","MoKα","","0.0386","0.0336","","","0.091","0.0946","","","","","","1.037","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157169","8.95357","0.00019","11.3492","0.0002","15.4615","0.0003","90","","100.458","0.002","90","","1545.03","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O4 -","- C19 H14 Cl N O4 -","- C76 H56 Cl4 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","1.54184","CuKα","","0.044","0.0428","","","0.1154","0.1165","","","","","","1.048","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157170","9.0065","0.0005","11.3472","0.0006","15.5009","0.0009","90","","100.69","0.005","90","","1556.68","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.0647","0.0484","","","0.1097","0.1208","","","","","","1.039","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157171","9.1764","0.0006","10.3922","0.0005","11.8331","0.0007","92.396","0.004","100.32","0.005","101.272","0.005","1085.31","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N O5 -","- C26 H21 Cl N O5 -","- C52 H42 Cl2 N2 O10 -","2","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","1.54184","CuKα","","0.0666","0.0599","","","0.1653","0.1747","","","","","","1.076","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157172","36.731","0.009","9.552","0.002","16.611","0.004","90","","104.527","0.006","90","","5642","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F12 N P3 -","- C25 H24 F12 N P3 -","- C200 H192 F96 N8 P24 -","8","1","","Burgoyne, Morgan M.; MacDougall, Thomas M.; Haines, Zachary N.; Conrad, Jordan W.; Calhoun, Larry A.; Decken, Andreas; Dyker, Adam","A Strong Organic Electron Donor Incorporating Highly π-Donating Triphenylphosphonium Ylidyl Substituents","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01984G","","x-ray","0.71073","MoKα","","0.0624","0.0415","","","0.0999","0.1156","","","","","","1.051","","","","has coordinates","220581","2020-10-21","18:00:00",""
"7157173","7.773","0.005","8.96","0.006","9.546","0.006","78.697","0.009","76.144","0.008","69.086","0.009","598.5","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 F6 N P2 -","- C25 H23 F6 N P2 -","- C25 H23 F6 N P2 -","1","1","","Burgoyne, Morgan M.; MacDougall, Thomas M.; Haines, Zachary N.; Conrad, Jordan W.; Calhoun, Larry A.; Decken, Andreas; Dyker, Adam","A Strong Organic Electron Donor Incorporating Highly π-Donating Triphenylphosphonium Ylidyl Substituents","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01984G","","x-ray","0.71073","MoKα","","0.0692","0.0566","","","0.1433","0.1536","","","","","","1.1","","","","has coordinates,has disorder","220581","2020-10-21","18:00:00",""
"7157174","10.0547","0.0013","19.198","0.003","8.7595","0.0013","90","","90","","90","","1690.8","0.4","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.0459","0.0393","","","0.0974","0.1035","","","","","","1.032","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157175","11.3784","0.001","8.5648","0.0007","37.271","0.003","90","","90","","90","","3632.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Br N2 O2 -","- C21 H17 Br N2 O2 -","- C168 H136 Br8 N16 O16 -","8","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.085","0.0474","","","0.1059","0.1228","","","","","","1.029","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157176","6.8253","0.0004","7.8483","0.0004","30.9897","0.0018","90","","97.986","0.002","90","","1643.93","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.0669","0.0636","","","0.3322","0.3521","","","","","","1.034","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157177","13.6368","0.0019","14.139","0.002","15.614","0.002","104.059","0.013","92.816","0.011","92.523","0.013","2912","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N6 O8 P2 -","- C68 H56 N6 O8 P2 -","- C136 H112 N12 O16 P4 -","2","1","","Zheng, Lu; Zheng, Dan; Wang, Yanru; Yu, Chengyuan; Zhang, Kun; Jiang, Hua","Chiral Bisphosphine Ligands based on Quinoline Oligoamide Foldamer: Application in Asymmetric Hydrogenation","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01649J","","x-ray","1.54184","CuKα","","0.3369","0.2094","","","0.4609","0.5529","","","","","","1.075","","","","has coordinates","220583","2020-10-21","18:00:00",""
"7157178","19.2392","0.0007","11.0026","0.0005","33.5952","0.0016","90","","101.948","0.004","90","","6957.4","0.5","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 Cl9 N7 O7 P2 -","- C71 H60 Cl9 N7 O7 P2 -","- C284 H240 Cl36 N28 O28 P8 -","4","1","","Zheng, Lu; Zheng, Dan; Wang, Yanru; Yu, Chengyuan; Zhang, Kun; Jiang, Hua","Chiral Bisphosphine Ligands based on Quinoline Oligoamide Foldamer: Application in Asymmetric Hydrogenation","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01649J","","x-ray","1.54184","CuKα","","0.1436","0.1092","","","0.2783","0.2979","","","","","","0.999","","","","has coordinates,has disorder","220583","2020-10-21","18:00:00",""
"7157179","14.3061","0.0018","7.8603","0.0008","15.96","0.002","90","","99.346","0.013","90","","1770.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 F2 N2 O2 -","- C8 H8 F2 N2 O2 -","- C64 H64 F16 N16 O16 -","8","2","","Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo","Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02271F","","","0.71073","MoKα","","0.0821","0.0619","","","0.1652","0.1827","","","","","","1.049","","","","has coordinates","223284","2020-10-21","18:00:00",""
"7157180","23.51","0.002","23.51","0.002","4.8517","0.0006","90","","90","","120","","2322.4","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C11 H9 F3 N2 -","- C11 H9 F3 N2 -","- C99 H81 F27 N18 -","9","1","","Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo","Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02271F","","","0.71073","MoKα","","0.0529","0.0484","","","0.1255","0.1295","","","","","","1.073","","","","has coordinates","223284","2020-10-21","18:00:00",""
"7157181","27.319","0.0006","27.319","0.0006","19.5324","0.0004","90","","90","","120","","12624.5","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H36 Cl N3 O Pd Se -","- C24 H36 Cl N3 O Pd Se -","- C432 H648 Cl18 N54 O18 Pd18 Se18 -","18","1","","Sharma, Kamal Nayan; Satrawala, Naveen; Srivastava, Avinash Kumar; Ali, Munsaf; Joshi, Raj Kumar","Palladium(ii) ligated with a selenated (Se, C<sub>NHC</sub>, N<sup>-</sup>)-type pincer ligand: an efficient catalyst for Mizoroki-Heck and Suzuki-Miyaura coupling in water.","Organic & biomolecular chemistry","2019","17","40","8969","8976","10.1039/c9ob01674k","","","0.71073","MoKα","","0.0724","0.0578","","","0.175","0.1876","","","","","","1.059","","","","has coordinates","223419","2020-10-21","18:00:00",""
"7157182","11.065","","11.521","","15.832","","90","","97.78","","90","","1999.68","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Zeng, Qian; Dong, Kuiyong; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Copper-catalyzed carbene/alkyne metathesis terminated with the Buchner reaction: synthesis of dihydrocyclohepta[b]indoles.","Organic & biomolecular chemistry","2019","17","9","2326","2330","10.1039/c9ob00113a","","","0.71073","MoKα","","0.1476","0.1073","","","0.1803","0.2016","","","","","","1.185","","","","has coordinates","223420","2020-10-21","18:00:00",""
"7157183","12.875","0.002","13.03","0.002","15.195","0.003","76.583","0.012","78.566","0.012","72.177","0.012","2338.2","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O3 S -","- C29 H22 N2 O3 S -","- C116 H88 N8 O12 S4 -","4","2","","Kundal, Sandip; Chakraborty, Baitan; Paul, Kartick; Jana, Umasish","Efficient two-step synthesis of structurally diverse indolo[2,3-b]quinoline derivatives.","Organic & biomolecular chemistry","2019","17","9","2321","2325","10.1039/c8ob03033b","","","0.71073","MoKα","","0.1707","0.0691","","","0.1304","0.1594","","","","","","0.773","","","","has coordinates","223421","2020-10-21","18:00:00",""
"7157184","8.5086","0.0004","17.1346","0.0008","22.5907","0.0011","90","","99.192","0.002","90","","3251.2","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 S -","- C19 H16 N2 S -","- C152 H128 N16 S8 -","8","2","","Zhang, Xi; Wang, Tong-Lin; Liu, Xiao-Jun; Wang, Xi-Cun; Quan, Zheng-Jun","The solvent-controlled chemoselective construction of C-S/S-S bonds via the Michael reaction/thiol coupling of quinoline-2-thiones.","Organic & biomolecular chemistry","2019","17","9","2379","2383","10.1039/c8ob02971g","","","1.54178","CuKα","","0.0416","0.0376","","","0.1034","0.1074","","","","","","1.028","","","","has coordinates,has disorder","223422","2020-10-21","18:00:00",""
"7157185","11.79","0.007","7.792","0.004","16.696","0.009","90","","103.74","0.02","90","","1489.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrazole","'(Z)-1,1,1-trifluoro-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-4-(pyrroli","","- C14 H15 F6 N3 O -","- C14 H15 F6 N3 O -","- C56 H60 F24 N12 O4 -","4","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1381","0.1162","","","0.319","0.3372","","","","","","1.421","","","","has coordinates","223423","2020-10-21","18:00:00",""
"7157186","11.65","0.005","18.43","0.005","15.238","0.005","90","0.005","90","0.005","90","0.005","3272","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pyrazole","'4-(diethylamino)-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)pent-3-en-2-on","","- C14 H17 F6 N3 O -","- C14 H17 F6 N3 O -","- C112 H136 F48 N24 O8 -","8","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1432","0.1065","","","0.2811","0.3125","","","","","","1.049","","","","has coordinates","223423","2020-10-21","18:00:00",""
"7157187","17.353","0.005","24.435","0.008","5.4165","0.0017","90","","90","","90","","2296.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 O5 -","- C24 H24 Br2 O5 -","- C96 H96 Br8 O20 -","4","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.1571","0.0605","","","0.1377","0.1942","","","","","","0.974","","","","has coordinates","223424","2020-10-21","18:00:00",""
"7157188","5.845","0.0005","7.6852","0.0006","12.8843","0.001","90","","100.457","0.008","90","","569.15","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C24 H26 Br2 O6 -","2","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.0541","0.0437","","","0.0851","0.093","","","","","","1.029","","","","has coordinates","223424","2020-10-21","18:00:00",""
"7157189","13","0.005","13.405","0.005","17.492","0.007","90","","90","","90","","3048","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","1","","Sharma, Arun; Sharma, Vivek; Chimni, Swapandeep Singh","Organocatalytic enantioselective conjugate addition of pyrazolin-5-ones to arylomethylidene malonates.","Organic & biomolecular chemistry","2019","17","43","9514","","10.1039/c9ob01700c","","","0.71073","MoKα","","0.0992","0.0664","","","0.1851","0.2191","","","","","","1.011","","","","has coordinates","223425","2020-10-21","18:00:00",""
"7157190","33.8739","0.0008","5.105","0.0001","14.1957","0.0003","90","","95.465","0.002","90","","2443.65","0.09","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H28 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","","Carceller-Ferrer, Laura; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, Jose R.","Organocatalytic Enantioselective Aminoalkylation of Pyrazol-3-ones with Aldimines Generated in Situ from α‐Amido Sulfones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02252J","","","1.54178","CuKα","","0.0509","0.0437","","","0.1133","0.1236","","","","","","0.968","","","","has coordinates","223445","2020-10-21","18:00:00",""
"7157191","14.9877","0.0002","8.495","0.0001","19.3047","0.0003","90","","111.38","0.002","90","","2288.74","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br N3 O3 -","- C26 H26 Br N3 O3 -","- C104 H104 Br4 N12 O12 -","4","1","","Zhang, Dan; Liu, Junwen; Kang, Zhenghui; Qiu, Huang; Hu, Wenhao","A rhodium-catalysed three-component reaction to access C1-substituted tetrahydroisoquinolines","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02303H","","x-ray","1.54184","CuKα","","0.0483","0.0435","","","0.114","0.1172","","","","","","1.098","","","","has coordinates","225410","2020-10-21","18:00:00",""
"7157192","6.2645","0.0006","12.7734","0.0012","10.8124","0.0015","90","","95.177","0.008","90","","861.67","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","","Vazquez-Chavez, Josué; Luna-Morales, Socorro; Cruz-Aguilar, Diego Alfonso; Díaz-Salazar, Howard; Vallejo Narváez, Wilmer Esteban; Silva-Gutiérrez, Rodrigo Salvador; Ortega, Simon Hernandez; Rocha-Rinza, Tomás; Hernández-Rodríguez, Marcos","Effect of chiral N-substituents with methyl or trifluoromethyl groups on the catalytic performance of mono- and bifunctional thioureas.","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01893J","","","1.54178","CuKα","","0.0521","0.0477","","","0.1067","0.1108","","","","","","1.157","","","","has coordinates","225411","2020-10-21","18:00:00",""
"7157193","9.9294","0.0003","22.8248","0.0008","8.0346","0.0003","90","","90","","90","","1820.93","0.11","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","0.5","","Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong","Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02108F","","","0.71073","MoKα","","0.0574","0.051","","","0.1542","0.1661","","","","","","1.05","","","","has coordinates","225683","2020-10-21","18:00:00",""
"7157194","29.0281","0.001","11.0265","0.0003","12.8199","0.0004","90","","90","","90","","4103.4","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24.5 H18 Br Cl N2 O -","- C24.5 H18 Br Cl N2 O -","- C196 H144 Br8 Cl8 N16 O8 -","8","2","","Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong","Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02108F","","","0.71073","MoKα","","0.0431","0.0355","","","0.0744","0.0783","","","","","","1.022","","","","has coordinates","225683","2020-10-21","18:00:00",""
"7157195","9.1784","0.0004","15.0323","0.0006","17.5468","0.0006","90","","99.573","0.001","90","","2387.26","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O2 S -","- C26 H26 N4 O2 S -","- C104 H104 N16 O8 S4 -","4","1","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of dihydroquinoline-azide from the Lewis acid-catalyzed reaction of alkylidenecyclopropanes with TMSN3","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02309G","","","0.71073","MoKα","","0.0806","0.0678","","","0.1932","0.2093","","","","","","1.034","","","","has coordinates","227645","2020-10-21","18:00:00",""
"7157196","5.884","0.0006","8.0198","0.0007","24.297","0.003","90","","95.847","0.007","90","","1140.6","0.2","276","2","276","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Liu, Shanshan; Yang, Heng; Jiao, Lin-Yu; Zhang, Jian-Hua; Zhao, Chen; Ma, Yangmin; Yang, Xiufang","Regioselective deoxygenative chalcogenation of 7-azindole N-oxides promoted by I2/PEG-200","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02044F","","","0.71073","MoKα","","0.1487","0.066","","","0.148","0.1717","","","","","","1.074","","","","has coordinates","227646","2020-10-21","18:00:00",""
"7157197","6.8","0.0002","15.603","0.0004","17.7559","0.0006","90","","90","","90","","1883.91","0.1","99.98","0.12","99.98","0.12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C88 H88 O24 -","- C88 H88 O24 -","- C88 H88 O24 -","1","0.25","","Liu, Zhaoming; Tan, Haibo; Chen, Kai; Chen, Yuchan; Zhang, Wenge; Chen, Shanchong; Liu, Hong-Xin; Zhang, Weimin","Rhizophols A and B, antioxidant and axially chiral benzophenones from the endophytic fungus Cytospora rhizophorae","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02282A","","x-ray","1.54184","CuKα","","0.0517","0.0448","","","0.122","0.1271","","","","","","1.069","","","","has coordinates","227689","2020-10-21","18:00:00",""
"7157198","6.3877","0.0014","9.9122","0.0019","14.758","0.003","79.468","0.016","78.355","0.018","72.386","0.018","864.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","","0.71073","MoKα","","0.0975","0.057","","","0.1359","0.1607","","","","","","0.988","","","","has coordinates","227690","2020-10-21","18:00:00",""
"7157199","8.47","0.002","13.267","0.003","9.675","0.002","90","","91.53","0.02","90","","1086.8","0.4","295","","295.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F3 O2 S -","- C11 H9 F3 O2 S -","- C44 H36 F12 O8 S4 -","4","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","x-ray","0.71073","MoKα","","0.0561","0.0435","","","0.1132","0.1221","","","","","","1.066","","","","has coordinates","227690","2020-10-21","18:00:00",""
"7157200","19.452","0.007","16.461","0.007","10.122","0.003","90","","90","","90","","3241","2","295","","295.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H13 Cl F3 N -","- C19 H13 Cl F3 N -","- C152 H104 Cl8 F24 N8 -","8","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","","0.71073","MoKα","","0.1124","0.0562","","","0.1083","0.1354","","","","","","1.038","","","","has coordinates,has disorder","227690","2020-10-21","18:00:00",""
"7157201","7.6883","0.0017","9.4591","0.0015","11.7328","0.0019","82.664","0.014","79.063","0.017","76.17","0.016","810.4","0.3","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","x-ray","0.71073","MoKα","","0.0855","0.0592","","","0.1545","0.1868","","","","","","1.05","","","","has coordinates","227690","2020-10-21","18:00:00",""
"7157202","13.153","0.004","15.177","0.005","7.937","0.002","90","","106.57","0.03","90","","1518.6","0.8","295","2","295.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N O S -","- C16 H16 F3 N O S -","- C64 H64 F12 N4 O4 S4 -","4","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","x-ray","0.71073","MoKα","","0.0756","0.0479","","","0.1065","0.1271","","","","","","1.033","","","","has coordinates,has disorder","227690","2020-10-21","18:00:00",""
"7157208","13.4658","0.0004","15.2404","0.0004","10.0603","0.0003","90","","105.168","0.001","90","","1992.69","0.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br I N O2 -","- C24 H17 Br I N O2 -","- C96 H68 Br4 I4 N4 O8 -","4","1","","Li, Jian; zhu, shang-rong; Xu, Qiuneng; Liu, Li; Yan, Shenghu","BrØnsted Acid Mediated Intramolecular Cyclopropane Ring Expansion/[4+2]-Cycloaddition","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02379H","","","1.34139","GaKα","","0.0537","0.0469","","","0.117","0.1223","","","","","","1.065","","","","has coordinates","227937","2020-10-21","18:00:00",""
"7157209","19.181","0.006","7.746","0.003","12.126","0.004","90","","91.846","0.008","90","","1800.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Li, Yan; Guo, Juan; Lu, Xunbo; Zhong, Fangrui","One-step assembly of alkoxypyrroloindolines via iodine-catalyzed alkoxycyclization of indole derivatives.","Organic & biomolecular chemistry","2019","18","1","32","35","10.1039/c9ob02287b","","","0.71073","MoKα","","0.1509","0.0799","","","0.1827","0.2228","","","","","","1.018","","","","has coordinates","247802","2020-10-21","18:00:00",""
"7157210","13.1159","0.0007","10.7662","0.0006","23.776","0.0012","90","","102.7","0.0009","90","","3275.2","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","3g","","","- C36 H38 Cl N O4 S -","- C36 H38 Cl N O4 S -","- C144 H152 Cl4 N4 O16 S4 -","4","2","","Zhao, Kun; Wang, Junwei; pan, xiang; Zhao, Lei; zhao, lin; Liu, Jian; zhi, ying; wang, ai; Hu, Lihong","Diastereoselective construction of 3-aryl-substituted indolines via annulation of in situ generated p-quinone methides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02351H","","","0.71073","","","0.0703","0.052","","","0.1082","0.1196","","","","","","1.017","","","","has coordinates","227939","2020-10-21","18:00:00",""
"7157211","6.44427","0.00008","25.748","0.0003","31.5946","0.0004","90","","90","","90","","5242.4","0.11","292.2","0.4","292.2","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C240 H384 O16 -","8","2","","Yu, Chun-Xue; Wang, Ru-Yue; Qi, Feng-Ming; Su, Pan-Jie; Yu, Yi-Fan; Li, Bing; Zhao, Ye; Zhi, De-Juan; Zhang, Zhan-Xin; Fei, Dong-Qing","Eupulcherol A, a triterpenoid with a new carbon skeleton from Euphorbia pulcherrima, and its anti-Alzheimer's disease bioactivity.","Organic & biomolecular chemistry","2019","18","1","76","80","10.1039/c9ob02334h","","","1.54184","CuKα","","0.0496","0.043","","","0.1059","0.1105","","","","","","1.02","","","","has coordinates,has disorder","247804","2020-10-21","18:00:00",""
"7157212","10.06056","0.00013","8.66685","0.0001","33.764","0.0004","90","","90.1091","0.0012","90","","2943.99","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H66 Br2 N2 O25 -","- C54 H66 Br2 N2 O25 -","- C108 H132 Br4 N4 O50 -","2","1","","Matamoros, Esther; Cintas, Pedro; Light, Mark; Palacios, Juan C.","Electronic effects in tautomeric equilibria: The case of chiral imines from D-glucamine and 2-hydroxyacetophenones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02147G","","x-ray","0.71073","MoKα","","0.0379","0.031","","","0.0636","0.0662","","","","","","1.025","","","","has coordinates","231072","2020-10-21","18:00:00",""
"7157213","7.776","0.0018","15.236","0.003","15.292","0.004","90","","101.96","0.013","90","","1772.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O Se -","- C22 H17 N O Se -","- C88 H68 N4 O4 Se4 -","4","1","","Sahoo, Harekrishna; Grandhi, Gowri Sankar; Ramakrishna, Isai; Baidya, Mahiuddin","Metal-free switchable ortho/ipso-cyclization of N-aryl alkynamides: divergent synthesis of 3-selenyl quinolin-2-ones and azaspiro[4,5]trienones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02177A","","","0.71073","MoKα","","0.1005","0.0482","","","0.1089","0.1462","","","","","","1.095","","","","has coordinates","231073","2020-10-21","18:00:00",""
"7157215","9.624","0.0003","12.1733","0.0004","13.1933","0.0004","73.415","0.001","72.876","0.001","78.771","0.001","1405.32","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H29 N -","- C39 H29 N -","- C78 H58 N2 -","2","1","","Wei, Hao-Zhao; Yu, Liu-Zhu; Shi, Min","Lewis or Brønsted acid-catalysed reaction of propargylic alcohol-tethered alkylidenecyclopropanes with indoles and pyrroles for the preparation of polycyclic compounds tethered with indole or pyrrole motif.","Organic & biomolecular chemistry","2019","18","1","135","139","10.1039/c9ob02211b","","","0.71073","MoKα","","0.0576","0.0421","","","0.1013","0.1136","","","","","","1.037","","","","has coordinates","247800","2020-10-21","18:00:00",""
"7157225","9.145","0.006","11.501","0.007","11.649","0.008","117.55","0.02","94.48","0.03","91.05","0.02","1080.9","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C48 H48 N8 O4 -","2","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.092","0.061","","","0.1456","0.1621","","","","","","1.024","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157226","8.7498","0.0005","18.5113","0.0011","9.4511","0.0006","90","","99.3488","0.0019","90","","1510.46","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O5 S2 -","- C17 H12 O5 S2 -","- C68 H48 O20 S8 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0584","0.0412","","","0.1011","0.109","","","","","","1.034","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157227","38.315","0.003","38.315","","5.547","0.0008","90","","90","","90","","8143.2","1.3","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C368 H368 N48 O32 -","16","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","1.54178","CuKα","","0.0713","0.0502","","","0.1101","0.1205","","","","","","1.055","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157228","11.6856","0.0009","14.0485","0.0011","13.2869","0.001","90","","96.0216","0.0018","90","","2169.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0897","0.048","","","0.1082","0.1333","","","","","","1.008","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157229","8.8058","0.0009","20.394","0.002","9.6437","0.001","90","","99.794","0.004","90","","1706.6","0.3","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C88 H64 O12 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.1122","0.0686","","","0.1245","0.1417","","","","","","1.0557","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157230","9.6018","0.0007","12.4113","0.001","16.8115","0.0014","90","","96.978","0.003","90","","1988.6","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C96 H92 N4 O12 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0512","0.0396","","","0.1011","0.1086","","","","","","1.0519","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157231","10.4124","0.0003","11.3067","0.0003","11.3573","0.0003","91.46","0.002","98.011","0.002","104.143","0.002","1281.44","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","1","1","","Bera, Kalisankar; Ayyagari, Narasimham; Satam, Nishikant; Namboothiri, Irishi N. N.","Stereoselective synthesis of hydrazinodihydrofurans via cascade Michael addition-substitution involving the reaction of curcumin and other β-dicarbonyls with α-hydrazinonitroalkenes.","Organic & biomolecular chemistry","2019","18","1","140","153","10.1039/c9ob01974j","","x-ray","1.54184","CuKα","","0.0721","0.0626","","","0.1638","0.1793","","","","","","1.079","","","","has coordinates","247803","2020-10-21","18:00:00",""
"7157232","6.9499","0.001","9.8422","0.0014","15.3854","0.0019","87.986","0.005","87.262","0.005","69.331","0.005","983.3","0.2","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H16 Cl3 N5 O2 -","- C19 H16 Cl3 N5 O2 -","- C38 H32 Cl6 N10 O4 -","2","1","","Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence","From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).","Organic & biomolecular chemistry","2019","18","1","154","162","10.1039/c9ob02002k","","x-ray","0.71073","MoKα","","0.0956","0.0914","","","0.2237","0.2255","","","","","","1.198","","","","has coordinates","247799","2020-10-21","18:00:00",""
"7157233","15.2934","0.0007","5.9374","0.0003","19.2117","0.0011","90","","101.042","0.002","90","","1712.19","0.15","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O S -","- C18 H18 N6 O S -","- C72 H72 N24 O4 S4 -","4","1","","Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence","From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).","Organic & biomolecular chemistry","2019","18","1","154","162","10.1039/c9ob02002k","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.0948","0.1021","","","","","","1.033","","","","has coordinates","247799","2020-10-21","18:00:00",""
"7157234","32.8955","0.0019","11.8195","0.0008","19.8693","0.0014","90","","115.421","0.0019","90","","6977.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 O4 -","- C44 H38 N2 O4 -","- C352 H304 N16 O32 -","8","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1096","0.0694","","","0.1695","0.1951","","","","","","1.035","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157235","11.3472","0.0008","20.551","0.0015","30.017","0.002","90","","90","","90","","6999.9","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 F N2 O4 -","- C44 H37 F N2 O4 -","- C352 H296 F8 N16 O32 -","8","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.114","0.0691","","","0.1726","0.194","","","","","","1.138","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157236","10.8744","0.0011","13.9883","0.0015","14.7217","0.0014","101.625","0.003","106.436","0.003","93.568","0.004","2086.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 Cl N2 O7 -","- C48 H45 Cl N2 O7 -","- C96 H90 Cl2 N4 O14 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1094","0.0557","","","0.1147","0.1347","","","","","","1.019","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157237","9.0089","0.0011","10.2895","0.0014","18.456","0.003","81.638","0.004","81.362","0.004","78.888","0.004","1647.7","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O5 -","- C39 H35 Cl N2 O5 -","- C78 H70 Cl2 N4 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0759","0.0504","","","0.1204","0.1346","","","","","","1.022","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157238","9.6247","0.0006","17.7668","0.0011","18.9536","0.0011","90","","91.7723","0.0019","90","","3239.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl N O5 -","- C36 H28 Cl N O5 -","- C144 H112 Cl4 N4 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1639","0.0775","","","0.2097","0.2575","","","","","","1.044","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157239","9.1125","0.0004","12.0056","0.0006","26.1996","0.0012","90","","94.5219","0.0015","90","","2857.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N O5 -","- C36 H29 N O5 -","- C144 H116 N4 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1101","0.0558","","","0.1139","0.1344","","","","","","1.023","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157240","10.8649","0.0009","12.2568","0.001","27.648","0.002","84.114","0.003","78.954","0.003","86.279","0.003","3590.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O5 -","- C39 H35 Cl N2 O5 -","- C156 H140 Cl4 N8 O20 -","4","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.156","0.0755","","","0.1689","0.2002","","","","","","1.025","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157241","11.4828","0.0008","12.9792","0.0008","14.6856","0.001","63.894","0.002","73.231","0.002","72.3116","0.0019","1841.6","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H37 N5 O7 -","- C42 H37 N5 O7 -","- C84 H74 N10 O14 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1074","0.0572","","","0.117","0.1365","","","","","","1.017","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157242","9.9805","0.0009","10.287","0.0009","15.3526","0.0014","72.135","0.003","76.008","0.003","82.784","0.003","1453.5","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N O5 -","- C36 H29 N O5 -","- C72 H58 N2 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1162","0.0628","","","0.1469","0.1721","","","","","","1.034","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157243","14.5005","0.0008","16.8752","0.0011","14.5126","0.001","90","","118.619","0.0017","90","","3117.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Cl N4 O4 -","- C35 H31 Cl N4 O4 -","- C140 H124 Cl4 N16 O16 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1453","0.0637","","","0.1286","0.159","","","","","","1.018","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157244","9.4484","0.0008","9.7843","0.0008","16.51","0.0012","105.221","0.002","92.073","0.003","95.141","0.003","1464","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N O4 -","- C36 H28 Cl N O4 -","- C72 H56 Cl2 N2 O8 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1359","0.058","","","0.1101","0.1332","","","","","","1.01","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157245","13.4926","0.0007","9.4573","0.0005","25.3206","0.0014","90","","91.8378","0.0017","90","","3229.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O5 -","- C38 H33 Cl N2 O5 -","- C152 H132 Cl4 N8 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0975","0.0519","","","0.1063","0.1245","","","","","","1.021","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157246","9.594","0.0017","9.7016","0.0017","16.666","0.003","94.12","0.005","105.428","0.005","94.267","0.005","1484.4","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 N O5 -","- C37 H31 N O5 -","- C74 H62 N2 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.2487","0.0839","","","0.1461","0.1767","","","","","","0.936","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157247","9.4889","0.0008","24.389","0.003","13.791","0.0013","90","","97.529","0.003","90","","3164.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 N4 O3 -","- C39 H32 N4 O3 -","- C156 H128 N16 O12 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0994","0.0535","","","0.1153","0.1351","","","","","","1.014","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7231067","7.5056","0.0003","25.0862","0.0009","15.2376","0.0006","90","","93.195","0.002","90","","2864.58","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N11 O7 -","- C26 H37 N11 O7 -","- C104 H148 N44 O28 -","4","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0471","0.0414","","","0.1073","0.111","","","","","","1.057","","","","has coordinates","223641","2020-10-21","18:00:00",""
"7231068","6.6482","0.0003","8.7311","0.0004","10.9852","0.0005","82.631","0.002","84.273","0.002","83.701","0.003","626.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C22 H30 N10 O6 -","2","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0434","0.0351","","","0.0855","0.0896","","","","","","1.048","","","","has coordinates","223641","2020-10-21","18:00:00",""
"7231305","7.2851","0.0014","9.0281","0.0017","38.51","0.007","90","","95.23","0.003","90","","2522.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Indapamide-4,4'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-pyridin-4-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0477","0.042","","","0.1073","0.1109","","","","","","1.087","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231306","7.3151","0.0002","8.937","0.0003","38.9526","0.0012","90","","93.702","0.002","90","","2541.21","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-2,2'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-2-pyridin-2-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1741","0.0798","","","0.1289","0.1536","","","","","","1.089","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231307","7.765","0.007","8.741","0.008","34.52","0.03","90","","93.96","0.04","90","","2337","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-methylpyridone cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-6-methyl-2-pyridone","","- C22 H23 Cl N4 O4 S -","- C22 H23 Cl N4 O4 S -","- C88 H92 Cl4 N16 O16 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0785","0.0606","","","0.1354","0.1436","","","","","","1.102","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231308","7.1759","0.0003","9.4074","0.0004","39.0523","0.0017","90","","93.389","0.002","90","","2631.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-Phenazine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-phenazine","","- C28 H24 Cl N5 O3 S -","- C28 H24 Cl N5 O3 S -","- C112 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0583","0.0531","","","0.1255","0.1282","","","","","","1.14","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231309","12.2238","0.0002","14.8267","0.0003","16.2328","0.0003","93.228","0.001","107.264","0.001","90.122","0.001","2804.46","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Indapamide-1,2-Bis(4-pyridyl)ethylene cocrystal monohydrate","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-[(E)-2-pyridin-4-ylethenyl]pyridine-hydrate","","- C28 H28 Cl N5 O4 S -","- C28 H28 Cl N5 O4 S -","- C112 H112 Cl4 N20 O16 S4 -","4","2","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1217","0.0717","","","0.1596","0.1793","","","","","","1.103","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231360","10.4993","0.0005","16.0117","0.0008","25.1481","0.0012","90","","90","","90","","4227.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SMT-SAC salt","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0338","0.0335","","","0.0874","0.0877","","","","","","1.084","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231361","8.0291","0.0002","17.5002","0.0004","14.6076","0.0003","90","","107.827","0.001","90","","1953.97","0.08","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C76 H76 N20 O20 S8 -","4","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0541","0.043","","","0.0996","0.105","","","","","","1.083","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231714","8.9461","0.0006","16.1753","0.001","20.8774","0.0017","90","","100.396","0.008","90","","2971.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1252","0.0655","","","0.1767","0.2168","","","","","","1.119","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231715","18.1061","0.0011","13.5141","0.0007","17.5192","0.0009","90","","111.113","0.006","90","","3999","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 Cl4 N10 O8 S -","- C72 H104 Cl4 N10 O8 S -","- C144 H208 Cl8 N20 O16 S2 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1186","0.0683","","","0.1422","0.1716","","","","","","1.082","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231716","9.0143","0.0006","15.6469","0.0017","21.0997","0.0015","90","","98.821","0.007","90","","2940.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.21","0.0818","","","0.185","0.2331","","","","","","1.154","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231717","13.2635","0.0009","16.5661","0.0012","28.231","0.003","90","","93.852","0.007","90","","6189","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Br2 N6 O6 -","- C56 H94 Br2 N6 O6 -","- C224 H376 Br8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2285","0.0743","","","0.156","0.2268","","","","","","1","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231718","13.2862","0.0006","16.574","0.0008","28.0803","0.0013","90","","93.874","0.005","90","","6169.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Cl2 N6 O6 -","- C56 H94 Cl2 N6 O6 -","- C224 H376 Cl8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1521","0.0797","","","0.1791","0.2165","","","","","","1.179","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231719","8.4539","0.0007","10.2145","0.0008","18.1488","0.0015","92.095","0.007","99.967","0.007","107.977","0.007","1461.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1558","0.0853","","","0.2052","0.2478","","","","","","0.978","","","","has coordinates,has disorder","223518","2020-10-21","18:00:00",""
"7231720","8.9473","0.0016","16.101","0.004","21.153","0.004","90","","100.9","0.02","90","","2992.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br4 N6 O2 -","- C52 H88 Br4 N6 O2 -","- C104 H176 Br8 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1625","0.0777","","","0.1773","0.2301","","","","","","1.183","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231721","8.2364","0.0009","10.9069","0.0014","20.0064","0.0017","85.053","0.008","79.089","0.008","81.371","0.01","1741.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2318","0.0922","","","0.1801","0.2317","","","","","","1.148","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231722","8.4459","0.0005","11.6202","0.001","15.6367","0.0011","82.597","0.007","83.548","0.005","86.964","0.006","1511.05","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.0958","0.064","","","0.1684","0.2022","","","","","","0.871","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231736","28.861","0.006","9.191","0.002","17.149","0.003","90","","111.76","0.03","90","","4224.8","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Hg N6 O S2 -","- C20 H14 Hg N6 O S2 -","- C160 H112 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.0561","0.0366","","","0.083","0.088","","","","","","0.8291","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231737","12.9176","0.0003","7.7756","0.0002","17.4321","0.0004","90","","93.026","0.001","90","","1748.48","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Hg N6 O S2 -","- C15 H12 Hg N6 O S2 -","- C60 H48 Hg4 N24 O4 S8 -","4","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.046","0.0256","","","0.0441","0.0497","","","","","","0.9895","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231754","7.309","0.011","16.54","0.02","6.169","0.009","90","","108.823","0.015","90","","705.9","1.7","159","2","159","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1615","0.1024","","","0.2479","0.2717","","","","","","1.232","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231755","5.568","0.0016","7.214","0.002","31.782","0.009","89.956","0.006","85.324","0.004","89.866","0.004","1272.4","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0791","0.0548","","","0.1456","0.159","","","","","","1.031","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231756","50.25","0.03","7.055","0.004","5.609","0.003","90","","90","","90","","1988","2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1042","0.0948","","","0.2464","0.2505","","","","","","1.143","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231757","5.565","0.003","7.183","0.004","27.043","0.014","90.145","0.007","91.445","0.007","90.099","0.007","1080.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1693","0.0725","","","0.1684","0.2063","","","","","","1.009","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231758","9.173","0.003","5.6554","0.0017","17.357","0.005","90","","104.928","0.003","90","","870","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1114","0.1192","","","","","","1.053","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231759","67.94","0.006","7.1161","0.0006","5.5638","0.0005","90","","90","","90","","2689.9","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1383","0.0973","","","0.2764","0.2967","","","","","","1.09","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231760","38.19","0.02","4.088","0.002","9.951","0.005","90","","90.206","0.01","90","","1553.5","1.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0937","0.0841","","","0.2448","0.2534","","","","","","1.057","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231761","5.5474","0.0007","7.1923","0.0009","36.076","0.005","89.983","0.003","89.626","0.004","89.903","0.003","1439.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1574","0.1012","","","0.2479","0.2778","","","","","","1.082","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231762","58.86","0.02","7.1","0.003","5.574","0.002","90","","90","","90","","2329.4","1.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1867","0.1548","","","0.4634","0.4772","","","","","","1.861","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231776","12.4333","0.0004","12.6007","0.0004","19.7636","0.0007","71.573","0.001","75.384","0.001","73.429","0.001","2770.42","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H71 B10 Cl12 N2 O0 -","- C33 H71 B10 Cl12 N2 -","- C66 H142 B20 Cl24 N4 -","2","1","","Warneke, Jonas; Konieczka, Szymon Z.; Hou, Gao-Lei; Aprà, Edoardo; Kerpen, Christoph; Keppner, Fabian; Schäfer, Thomas C; Deckert, Michael; Yang, Zheng; Bylaska, Eric J.; Johnson, Grant E.; Laskin, Julia; Xantheas, Sotiris S.; Wang, Xue-Bin; Finze, Maik","Properties of perhalogenated {closo-B<sub>10</sub>} and {closo-B<sub>11</sub>} multiply charged anions and a critical comparison with {closo-B<sub>12</sub>} in the gas and the condensed phase.","Physical chemistry chemical physics : PCCP","2019","21","11","5903","5915","10.1039/c8cp05313h","","","0.71073","MoKα","","0.0923","0.0704","","","0.1373","0.1506","","","","","","0.903","","","","has coordinates,has disorder","225331","2020-10-21","18:00:00",""
"7231777","12.1542","0.0008","20.4092","0.0014","23.6086","0.0016","65.996","0.001","76.12","0.001","77.167","0.001","5142.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H155 B22 Cl17 N4 O -","- C67 H155 B22 Cl17 N4 O -","- C134 H310 B44 Cl34 N8 O2 -","2","1","","Warneke, Jonas; Konieczka, Szymon Z.; Hou, Gao-Lei; Aprà, Edoardo; Kerpen, Christoph; Keppner, Fabian; Schäfer, Thomas C; Deckert, Michael; Yang, Zheng; Bylaska, Eric J.; Johnson, Grant E.; Laskin, Julia; Xantheas, Sotiris S.; Wang, Xue-Bin; Finze, Maik","Properties of perhalogenated {closo-B<sub>10</sub>} and {closo-B<sub>11</sub>} multiply charged anions and a critical comparison with {closo-B<sub>12</sub>} in the gas and the condensed phase.","Physical chemistry chemical physics : PCCP","2019","21","11","5903","5915","10.1039/c8cp05313h","","","0.71073","MoKα","","0.1099","0.0688","","","0.1514","0.1635","","","","","","1.146","","","","has coordinates,has disorder","225331","2020-10-21","18:00:00",""
"7231779","24.47","0.02","24.029","0.017","17.149","0.012","90","","90.869","0.018","90","","10082","13","292","2","292","","","","","","","","","4","C 1 2/m 1","-C 2y","12","WUF-19","","","- C48 H31 O13.5 Zn4 -","- C48 H31 O13.5 Zn4 -","- C192 H124 O54 Zn16 -","4","0.5","","Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher","High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks","CrystEngComm","2019","21","1","60","","10.1039/C8CE01740A","","","1.54178","CuKα","","0.237","0.181","","","0.4599","0.4986","","","","","","2.771","","","","has coordinates,has disorder","223520","2020-10-21","18:00:00",""
"7231792","5.06","0.006","6.392","0.008","15.823","0.018","87.32","0.04","83.9","0.04","71.23","0.02","481.8","1","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 F N2 O5 -","- C7 H10 F N2 O5 -","- C14 H20 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71073","MoKα","","0.0582","0.0489","","","0.1351","0.1434","","","","","","1.05","","","","has coordinates","223636","2020-10-21","18:00:00",""
"7231793","5.443","0.009","5.845","0.009","14.47","0.02","92.228","0.018","94.392","0.009","110.98","0.03","427.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F N2 O5 -","- C6 H8 F N2 O5 -","- C12 H16 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71075","MoKα","","0.0744","0.0521","","","0.1386","0.1537","","","","","","0.956","","","","has coordinates","223636","2020-10-21","18:00:00",""
"7231794","13.215","0.005","10.327","0.005","16.162","0.005","90","0.005","93.56","0.005","90","0.005","2201.4","1.5","296","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C92 H112 N16 O12 -","4","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0636","0.0471","","","0.1211","0.1356","","","","","","0.993","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231795","20.941","0.005","11.461","0.005","22.337","0.005","90","0.005","107.49","0.005","90","0.005","5113","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N10 S4 Zn -","- C50 H56 N10 S4 Zn -","- C200 H224 N40 S16 Zn4 -","4","0.5","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0911","0.0457","","","0.108","0.1298","","","","","","0.991","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231796","11.226","0.005","11.535","0.005","11.969","0.005","108.012","0.005","100.682","0.005","90.099","0.005","1445.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Hg N6 S3 -","- C26 H27 Hg N6 S3 -","- C52 H54 Hg2 N12 S6 -","2","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0457","0.0308","","","0.0752","0.0834","","","","","","1.035","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231834","15.407","0.002","5.8843","0.0006","15.664","0.002","90","","114.753","0.018","90","","1289.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N3 O6 -","- C26 H33 N3 O6 -","- C52 H66 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.1038","0.0721","","","0.1949","0.2202","","","","","","1.029","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231835","4.96731","0.00012","19.4022","0.0005","12.4703","0.0003","90","","92.486","0.003","90","","1200.72","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.0377","0.0346","","","0.0996","0.1048","","","","","","0.608","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231836","19.4892","0.0005","21.6795","0.0005","10.5043","0.0003","90","","90","","90","","4438.2","0.2","100","2","100.03","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N4 O5 -","- C28 H18 N4 O5 -","- C224 H144 N32 O40 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0404","0.0379","","","0.1018","0.1043","","","","","","1.024","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231837","11.1935","0.0006","9.2331","0.0005","16.7061","0.0008","90","","94.587","0.002","90","","1721.06","0.15","100","2","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Cl2 N4 O7 Zn -","- C35 H34 Cl2 N4 O7 Zn -","- C70 H68 Cl4 N8 O14 Zn2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","x-ray","0.71073","MoKα","","0.0363","0.027","","","0.0734","0.0785","","","","","","1.059","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231838","9.8295","0.0005","10.6901","0.0005","13.3737","0.0007","98.589","0.002","94.244","0.002","97.801","0.002","1370.28","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 N4 O6 Zn -","- C26 H22 Cl4 N4 O6 Zn -","- C52 H44 Cl8 N8 O12 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.1146","0.0472","","","0.08","0.0946","","","","","","0.988","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231839","4.9197","0.0009","9.297","0.002","12.906","0.003","109.588","0.015","98.253","0.015","91.039","0.016","549","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.1767","0.0819","","","0.1742","0.2223","","","","","","0.964","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231840","10.8226","0.0004","23.0562","0.0008","10.5332","0.0003","90","","90","","90","","2628.33","0.15","100","2","100.01","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H19 Cl2 N5 O4 Zn -","- C28 H19 Cl2 N5 O4 Zn -","- C112 H76 Cl8 N20 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.0425","0.0351","","","0.0772","0.0794","","","","","","1.198","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231841","8.6209","0.0004","17.8581","0.0007","8.0036","0.0003","90","","90.903","0.003","90","","1232.02","0.09","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Ag F6 N4 O4 Sb -","- C26 H16 Ag F6 N4 O4 Sb -","- C52 H32 Ag2 F12 N8 O8 Sb2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0482","0.0362","","","0.0957","0.1055","","","","","","1.036","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231842","11.978","0.003","14.504","0.003","28.647","0.007","90","","90","","90","","4977","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 N5 O24 Pr2 -","- C36 H28 N4 O22 Pr2 -","- C144 H112 N16 O88 Pr8 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0556","0.0457","","","0.1448","0.1545","","","","","","1.05","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231843","12.0109","0.0011","14.1322","0.0012","28.639","0.003","90","","90","","90","","4861.2","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 Dy2 N5 O24 -","- C36 H30 Dy2 N4 O22 -","- C144 H120 Dy8 N16 O88 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0626","0.0453","","","0.1252","0.1334","","","","","","1.002","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231844","21.805","0.0006","12.6126","0.0004","16.2518","0.0005","90","","107.833","0.001","90","","4254.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl4 Cu Na O6 S4 -","- C36 H52 Cl4 Cu Na O6 S4 -","- C144 H208 Cl16 Cu4 Na4 O24 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0437","0.0344","","","0.0913","0.1087","","","","","","1.1","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231845","7.8265","0.0011","13.197","0.0014","44.68","0.007","90","","92.759","0.005","90","","4609.5","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AG35_LT","","","- C68 H46 Cl16 Cu8 N10 S16 -","- C68 H46 Cl16 Cu8 N10 S16 -","- C136 H92 Cl32 Cu16 N20 S32 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0942","0.0496","","","0.1128","0.1558","","","","","","1.051","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231846","26.295","0.004","3.9413","0.0007","17.479","0.003","90","","102.299","0.006","90","","1769.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG27","","","- C12 H4 Cl4 Cu O Rb S4 -","- C12 H4 Cl4 Cu O Rb S4 -","- C48 H16 Cl16 Cu4 O4 Rb4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0987","0.0424","","","0.0966","0.1501","","","","","","1.09","","","","has coordinates,has disorder","223600","2020-10-21","18:00:00",""
"7231847","26.2707","0.001","3.9461","0.0002","17.367","0.0007","90","","102.37","0.002","90","","1758.58","0.13","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG18_LT","","","- C12 H4 Cl4 Cu K O S4 -","- C12 H4 Cl4 Cu K O S4 -","- C48 H16 Cl16 Cu4 K4 O4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0592","0.0403","","","0.105","0.1366","","","","","","1.12","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231848","12.2137","0.0004","12.4992","0.0005","15.7574","0.0005","90","","109.812","0.002","90","","2263.16","0.14","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl4 Cu K O6 S4 -","- C36 H52 Cl4 Cu K O6 S4 -","- C72 H104 Cl8 Cu2 K2 O12 S8 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0955","0.0552","","","0.1588","0.2052","","","","","","1.047","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231864","14.03","0.003","11.502","0.002","17.598","0.004","90","","102.18","0.03","90","","2775.9","1","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Al13 H53 O67 S3 -","- Al13 H25 O68 S3 -","- Al26 H50 O136 S6 -","2","1","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1585","0.127","","","0.2529","0.2845","","","","","","1.14","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231865","17.779","0.002","17.779","0.002","17.779","0.002","90","","90","","90","","5619.8","1.1","153","2","153","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Al13 H12 Na O70 S4 -","- Al13 H24 Na O70.0004 S4 -","- Al52 H96 Na4 O280.002 S16 -","4","0.0416667","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1148","0.1096","","","0.2274","0.2358","","","","","","1.321","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231881","10.593","0.0004","15.5318","0.0008","21.2702","0.0009","71.268","0.004","79.79","0.003","85.077","0.004","3260.1","0.3","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Eu2 N O20 -","- C61 H25 Eu2 N O20 -","- C122 H50 Eu4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0497","0.0433","","","0.1179","0.122","","","","","","1.103","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231882","10.5886","0.0003","15.1959","0.0006","21.2747","0.0008","71.86","0.003","79.293","0.003","82.292","0.003","3185.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H30 N O20 Tb2 -","- C61 H30 N O20 Tb2 -","- C122 H60 N2 O40 Tb4 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0467","0.0382","","","0.1007","0.1055","","","","","","1.056","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231883","10.5924","0.0002","15.1775","0.0005","21.2599","0.0006","71.994","0.003","79.331","0.002","82.276","0.002","3183.38","0.16","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Dy2 N O20 -","- C61 H25 Dy2 N O20 -","- C122 H50 Dy4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.058","0.0493","","","0.1351","0.1423","","","","","","1.053","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231884","10.604","0.0003","15.2602","0.0006","21.269","0.0008","71.882","0.004","79.392","0.003","82.535","0.003","3205.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H25 Gd2 N4 O22 -","- C61 H25 Gd2 N O20 -","- C122 H50 Gd4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.1066","0.0817","","","0.2342","0.2543","","","","","","1.105","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231885","14.8162","0.0009","14.5193","0.0009","16.0799","0.001","90","","109.266","0.001","90","","3265.4","0.3","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 -","- C6 H24 Cu Mo5 N6 O28.5 P2 -","- C24 H96 Cu4 Mo20 N24 O114 P8 -","4","1","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0178","0.0176","","","0.0456","0.0457","","","","","","0.983","","","","has coordinates","223739","2020-10-21","18:00:00",""
"7231886","28.685","0.012","18.298","0.008","18.24","0.008","90","","122.743","0.006","90","","8053","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H78 Cu4 Mo10 N12 O65 P4 -","- C12 H40 Cu4 Mo10 N12 O65 P4 -","- C48 H160 Cu16 Mo40 N48 O260 P16 -","4","0.5","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0345","0.0321","","","0.0877","0.0893","","","","","","1.037","","","","has coordinates,has disorder","223739","2020-10-21","18:00:00",""
"7231887","7.6961","0.00014","10.9153","0.0002","27.2368","0.0005","90","","96.1341","0.0007","90","","2274.93","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amodiaquine Dihydrochloride Dihydrate","4-[(7-chloro-4-quinolyl)amino]- 2-[(diethylamino)methyl] phenol dihydrochloride dihydrate.","","- C20 H28 Cl3 N3 O3 -","- C20 H28 Cl3 N3 O3 -","- C80 H112 Cl12 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation","CrystEngComm","2019","21","13","2053","","10.1039/C8CE01720D","","","1.54186","CuKα","","0.0484","0.0437","","","0.1102","0.1135","","","","","","1.087","","","","has coordinates","223635","2020-10-21","18:00:00",""
"7231888","26.744","0.002","3.866","0.0003","24.352","0.002","90","","90","","90","","2517.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0398","0.0353","","","0.0898","0.0937","","","","","","1.011","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231889","12.8319","0.0009","11.667","0.0008","9.5936","0.0007","90","","90","","90","","1436.26","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0356","0.0329","","","0.0862","0.0886","","","","","","1.049","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231890","7.6177","0.0005","6.5936","0.0004","22.5748","0.0014","90","","97.516","0.001","90","","1124.15","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0369","","","0.0955","0.0999","","","","","","1.035","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231891","3.9358","0.0005","15.944","0.002","20.68","0.003","90","","90.305","0.002","90","","1297.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0342","","","0.0843","0.0894","","","","","","1.033","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231892","10.1018","0.0005","11.3577","0.0005","21.6477","0.001","90","","98.4472","0.0007","90","","2456.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0423","0.0357","","","0.0902","0.0944","","","","","","1.034","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231893","12.7652","0.0005","6.1962","0.0002","26.7849","0.0009","90","","91.423","0.002","90","","2117.92","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 S -","- C27 H19 N3 O2 S -","- C108 H76 N12 O8 S4 -","4","1","","Duarte, Luís Gustavo Teixeira Alves; Germino, José Carlos; Berbigier, Jônatas Faleiro; Barboza, Cristina Aparecida; Faleiros, Marcelo Meira; de Alencar Simoni, Deborah; Galante, Miguel Tayar; de Holanda, Matheus Serra; Rodembusch, Fabiano Severo; Atvars, Teresa Dib Zambon","White-light generation from all-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process.","Physical chemistry chemical physics : PCCP","2019","21","3","1172","1182","10.1039/c8cp06485g","","","1.54178","CuKα","","0.0548","0.0425","","","0.1083","0.1154","","","","","","1.024","","","","has coordinates","225333","2020-10-21","18:00:00",""
"7231898","3.9878","0.0002","12.0606","0.0007","24.7189","0.0014","90","","93.93","0.003","90","","1186.07","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla","Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination","Green Chemistry","2019","21","1","99","","10.1039/C8GC02520G","","","1.54178","CuKα","","0.0439","0.0386","","","0.0935","0.0966","","","","","","1.053","","","","has coordinates","224598","2020-10-21","18:00:00",""
"7231899","13.2669","0.0008","11.5841","0.0007","16.4623","0.0011","90","","100.794","0.004","90","","2485.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C136 H112 N16 -","8","2","","Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla","Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination","Green Chemistry","2019","21","1","99","","10.1039/C8GC02520G","","","1.54178","CuKα","","0.1097","0.0861","","","0.2373","0.2635","","","","","","1.065","","","","has coordinates","224598","2020-10-21","18:00:00",""
"7231901","7.1167","0.0004","7.2147","0.0003","13.2268","0.0004","81.973","0.003","99.788","0.004","117.046","0.004","594.55","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B K3 O13 Sb4 -","- B K3 O13 Sb4 -","- B2 K6 O26 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0533","0.0372","","","0.0713","0.076","","","","","","1.144","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231902","7.1593","0.0005","7.2533","0.0005","13.4894","0.0009","82.358","0.007","99.999","0.005","117.321","0.007","611.75","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B O13 Rb3 Sb4 -","- B O13 Rb3 Sb4 -","- B2 O26 Rb6 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0463","0.0337","","","0.0668","0.0712","","","","","","1.153","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231903","7.1456","0.0005","7.239","0.0008","13.4113","0.0007","82.058","0.007","100.051","0.006","117.205","0.005","606.16","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- B K0.99 O13 Rb2.01 Sb4 -","- B K0.985 O13 Rb2.015 Sb4 -","- B2 K1.97 O26 Rb4.03 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0423","0.0338","","","0.0748","0.0777","","","","","","1.217","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231905","5.6867","0.0003","5.6867","0.0003","5.6867","0.0003","90","","90","","90","","183.9","0.017","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Cl3 N Pb -","- C1.0008 Cl3 N1.0008 Pb -","- C1.0008 Cl3 N1.0008 Pb -","1","0.0208333","","Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh","Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method","CrystEngComm","2019","21","4","656","","10.1039/C8CE01939H","","","0.71073","MoKα","","0.0347","0.0347","","","0.0665","0.0665","","","","","","1.27","","","","has coordinates","223576","2020-10-21","18:00:00",""
"7231906","6.8028","0.0012","8.47","0.0015","11.01","0.002","73.643","0.005","87.812","0.005","75.045","0.005","587.69","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","1","0.5","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0684","0.0431","","","0.0783","0.0835","","","","","","1.049","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231907","7.889","0.0011","8.2289","0.0008","19.101","0.002","90","","96.213","0.004","90","","1232.7","0.2","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cu2 N6 O8 -","- C8 H5 Cu2 N6 O8 -","- C32 H20 Cu8 N24 O32 -","4","1","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0399","0.0306","","","0.0756","0.08","","","","","","1.033","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231908","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231909","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231912","15.8546","0.0003","11.2212","0.0002","19.1473","0.0004","90","","93.305","0.002","90","","3400.79","0.11","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 I2 N10 -","- C30 H40 Cu2 I2 N10 -","- C120 H160 Cu8 I8 N40 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","1.54184","CuKα","","0.0577","0.0475","","","0.1335","0.1429","","","","","","1.114","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231913","8.213","0.0007","10.6509","0.0007","24.483","0.002","90","","94.124","0.007","90","","2136.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AB96","","","- C16 H24 Cl2 Cu2 N6 O2 -","- C16 H24 Cl2 Cu2 N6 O2 -","- C64 H96 Cl8 Cu8 N24 O8 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","","0.71073","MoKα","","0.0765","0.0472","","","0.1004","0.1184","","","","","","1.06","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231914","8.9045","0.0004","14.2825","0.0004","12.8264","0.0007","90","","95.806","0.005","90","","1622.87","0.12","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br4 Cu4 N8 O4 -","- C24 H36 Br4 Cu4 N8 O4 -","- C48 H72 Br8 Cu8 N16 O8 -","2","0.5","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","0.71073","MoKα","","0.0463","0.0349","","","0.0867","0.0911","","","","","","1.016","","","","has coordinates,has disorder","223591","2020-10-21","18:00:00",""
"7231915","9.949","0.005","11.344","0.005","12.395","0.005","98.565","0.005","90.042","0.005","91.149","0.005","1383","1.1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N5 O7 -","- C29 H25 Cd N5 O7 -","- C58 H50 Cd2 N10 O14 -","2","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.1283","0.0527","","","0.0977","0.1266","","","","","","0.961","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231916","9.894","0.005","12.719","0.005","12.789","0.005","60.037","0.005","77.603","0.005","83.457","0.005","1361.7","1","298","1","298","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","1","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.0889","0.0617","","","0.1734","0.1893","","","","","","1.019","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231917","19.278","0.002","30.847","0.004","31.788","0.004","103.418","0.0015","99.2516","0.0015","95.3487","0.0015","17980","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Li O U -","- Li86.352 O783.222 U96 -","- Li86.352 O783.222 U96 -","1","0.5","","Traustason, H.; Aksenov, S. M.; Burns, P. C.","The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24","CrystEngComm","2019","21","3","390","","10.1039/C8CE01774C","","","1.5478","","","0.0742","0.0484","","","0.1467","0.1625","","","","","","1.075","","","","has coordinates","223741","2020-10-21","18:00:00",""
"7231918","8.8708","0.0018","15.609","0.003","18.593","0.004","90","","90.01","0.03","90","","2574.5","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0309","0.0304","","","0.0698","0.0702","","","","","","1.055","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231919","32.061","0.003","11.0501","0.0009","7.0657","0.0006","90","","93.859","0.003","90","","2497.5","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26.5 H38.5 N3 O3.75 -","- C26.5 H38.5 N3 O3.75 -","- C106 H154 N12 O15 -","4","1","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.1047","0.0619","","","0.123","0.1411","","","","","","1.016","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231920","9.6635","0.0003","23.495","0.0006","11.8249","0.0003","90","","113.761","0.001","90","","2457.19","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0328","0.032","","","0.0836","0.0846","","","","","","1.043","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231921","7.866","0.0005","11.3879","0.0008","29.2351","0.0017","90","","95.638","0.002","90","","2606.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H38 N2 O5 -","- C116 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0764","0.0511","","","0.1119","0.121","","","","","","0.972","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231922","30.935","0.004","3.8492","0.0005","13.9128","0.0019","90","","90","","90","","1656.7","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H3 N S3 -","- C8 H3 N S3 -","- C64 H24 N8 S24 -","8","2","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0416","0.0374","","","0.0811","0.0828","","","","","","1.047","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231923","9.4744","0.0011","15.4187","0.0017","26.876","0.003","90","","91.64","0.007","90","","3924.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 I3 N S6 -","- C13 H6 I3 N S6 -","- C104 H48 I24 N8 S48 -","8","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.1467","0.1289","","","0.277","0.2832","","","","","","1.199","","","","has coordinates,has disorder","223578","2020-10-21","18:00:00",""
"7231924","14.1394","0.0006","4.065","0.0001","24.6729","0.001","90","","90","","90","","1418.12","0.09","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 N S6 -","- C13 H7 N S6 -","- C52 H28 N4 S24 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0812","0.0829","","","","","","1.027","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231925","7.7442","0.0005","7.744","0.0005","26.3522","0.0016","81.877","0.002","83.912","0.002","65.73","0.002","1424.22","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N2 S12 -","- C26 H14 N2 S12 -","- C52 H28 N4 S24 -","2","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0655","0.0421","","","0.0937","0.1023","","","","","","0.976","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231926","3.8349","0.0002","14.8206","0.0006","13.7718","0.0005","90","","92.231","0.002","90","","782.13","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 N O S2 -","- C8 H3 N O S2 -","- C32 H12 N4 O4 S8 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1152","0.1222","","","","","","1.098","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231927","22.4236","0.0008","29.6641","0.0011","15.5246","0.0006","90","","90","","90","","10326.6","0.7","149","2","149","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C101 H86 Cu2 N5 O21 -","- C101 H86 Cu2 N5 O21 -","- C404 H344 Cu8 N20 O84 -","4","0.5","","Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation","CrystEngComm","2019","21","3","487","","10.1039/C8CE01791C","","","1.54178","CuKα","","0.1192","0.1099","","","0.2886","0.3169","","","","","","1.449","","","","has coordinates","223737","2020-10-21","18:00:00",""
"7231928","12.99","0.003","17.916","0.004","20.699","0.005","90","","106.068","0.003","90","","4629.1","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1152","0.095","","","0.3234","0.3381","","","","","","1.374","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231929","10.236","0.002","13.402","0.003","15.695","0.004","64.813","0.006","74.226","0.006","83.78","0.006","1874.9","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H36 O11 -","- C45 H36 O11 -","- C90 H72 O22 -","2","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1611","0.0702","","","0.1562","0.1963","","","","","","1.021","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231930","27.04","0.006","17.777","0.004","8.1345","0.0017","90","","90","","90","","3910.2","1.5","203","2","203","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H32 O10 -","- C44 H32 O10 -","- C176 H128 O40 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0906","0.0649","","","0.1833","0.1964","","","","","","1.076","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231931","22.73","0.02","26.88","0.02","28.36","0.04","90","","90","","90","","17327","3","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H52 O11 -","- C44 H52 O11 -","- C704 H832 O176 -","16","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0963","0.0755","","","0.2592","0.2927","","","","","","1.185","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231932","10.6822","0.0018","17.951","0.003","23.18","0.004","90","","95.295","0.003","90","","4425.9","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 O12 -","- C45 H52 O12 -","- C180 H208 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1457","0.0975","","","0.2736","0.3252","","","","","","1.083","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231933","10.6209","0.0014","17.125","0.002","22.296","0.003","90","","95.218","0.002","90","","4038.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42.25 H51 O13 -","- C42.25 H51 O13 -","- C169 H204 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1129","0.0869","","","0.2315","0.2495","","","","","","1.017","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231934","18.745","0.007","18.745","0.007","16.688","0.006","90","","90","","90","","5864","4","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64 H68 N4 O12 -","- C64 H68 N4 O12 -","- C256 H272 N16 O48 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0621","0.0468","","","0.1394","0.1486","","","","","","1.106","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231935","17.9565","0.0016","17.9565","0.0016","12.1543","0.0011","90","","90","","90","","3919","0.6","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0627","0.04","","","0.088","0.0958","","","","","","1","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231936","7.148","0.0002","9.283","0.0002","17.067","0.0006","105.716","0.0009","98.767","0.001","95.949","0.0014","1064.83","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0451","0.0382","","","0.0912","0.0951","","","","","","1.059","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231937","7.1653","0.0003","10.1441","0.0005","16.1968","0.001","86.971","0.004","82.27","0.004","71.257","0.004","1104.65","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 N2 O3 Re -","- C19 H12 Br Cl4 N2 O3 Re -","- C38 H24 Br2 Cl8 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.041","0.0353","","","0.0691","0.0722","","","","","","1.031","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231938","7.3756","0.0004","8.8914","0.0004","16.9636","0.001","98.004","0.004","90.442","0.005","105.113","0.004","1062.4","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C38 H24 Br4 Cl2 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0727","0.0527","","","0.1244","0.1355","","","","","","1.023","","","","has coordinates,has disorder","223521","2020-10-21","18:00:00",""
"7231939","7.36","0.0001","9.208","0.0003","16.59","0.0005","101.508","0.001","94.97","0.002","98.653","0.002","1081.25","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C38 H24 Br2 Cl4 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0331","0.027","","","0.077","0.093","","","","","","1.261","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231940","7.121","0.0001","33.788","0.0007","9.478","0.0002","90","","96.024","0.0008","90","","2267.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl5 N2 O3 Re -","- C19 H12 Cl5 N2 O3 Re -","- C76 H48 Cl20 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0618","0.0336","","","0.0532","0.0596","","","","","","1.012","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231941","15.453","0.0005","7.073","0.0002","23.529","0.0008","90","","126.135","0.0011","90","","2076.98","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C76 H48 Cl12 F8 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0671","0.0435","","","0.0957","0.1081","","","","","","1.03","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231942","7.3006","0.0005","11.598","0.0007","12.6789","0.0008","104.105","0.005","97.855","0.005","96.998","0.005","1017.88","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0361","0.0321","","","0.0556","0.0583","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231943","7.2547","0.0004","26.904","0.0016","12.6293","0.0007","90","","93.127","0.006","90","","2461.3","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0442","0.0331","","","0.0542","0.0571","","","","","","1.098","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231944","9.6938","0.0001","12.9012","0.0002","22.2519","0.0003","90","","91.119","0.001","90","","2782.33","0.06","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0619","0.0379","","","0.0848","0.0918","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231945","14.5589","0.0003","13.8558","0.0003","23.7553","0.0004","90","","101.602","0.002","90","","4694.13","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 I6 N2 Pt2 -","- C32 H72 I6 N2 Pt2 -","- C128 H288 I24 N8 Pt8 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0299","0.0219","","","0.0385","0.0406","","","","","","1.046","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231946","9.3533","0.0005","12.0866","0.0007","14.5096","0.0006","80.144","0.004","75.835","0.004","78.965","0.005","1547.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F5 I4 N Pt -","- C22 H36 F5 I4 N Pt -","- C44 H72 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0424","0.0321","","","0.0729","0.0792","","","","","","1.047","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231952","10.651","0.005","12.816","0.005","14.137","0.005","100.211","0.005","107.686","0.005","101.151","0.005","1745.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N8 O4 S2 -","- C40 H36 N8 O4 S2 -","- C80 H72 N16 O8 S4 -","2","1","","Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.","A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer","Green Chemistry","2019","21","1","69","","10.1039/C8GC03507E","","","0.71069","MoKα","","0.1249","0.1044","","","0.3581","0.3836","","","","","","1.604","","","","has coordinates","224597","2020-10-21","18:00:00",""
"7231953","20.3152","0.0009","14.7532","0.0006","16.39","0.0007","90","","110.119","0.002","90","","4612.6","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C208 H208 N32 O16 -","8","1","","Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.","A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer","Green Chemistry","2019","21","1","69","","10.1039/C8GC03507E","","","0.71073","MoKα","","0.1311","0.0772","","","0.2099","0.2566","","","","","","1.05","","","","has coordinates","224597","2020-10-21","18:00:00",""
"7231954","10.9372","0.0007","9.1286","0.0005","35.781","0.002","90","","95.129","0.003","90","","3558.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C176 H160 N32 O16 -","8","2","","Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.","A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer","Green Chemistry","2019","21","1","69","","10.1039/C8GC03507E","","","0.71073","MoKα","","0.1091","0.0706","","","0.1879","0.2219","","","","","","1.038","","","","has coordinates,has disorder","224597","2020-10-21","18:00:00",""
"7231962","9.5969","0.0007","10.9992","0.0012","14.5293","0.0012","87.894","0.012","72.005","0.009","75.7836","0.001","1412.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.037","0.0246","","","0.0546","0.0577","","","","","","0.937","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231963","9.822","0.003","10.107","0.004","12.444","0.004","85.67","0.03","86.14","0.03","78.71","0.03","1206.2","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.1852","0.0622","","","0.1257","0.1874","","","","","","0.948","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231964","12.4487","0.0007","14.0216","0.0008","17.0849","0.0009","112.276","0.0014","93.2135","0.0015","105.097","0.0015","2624.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Mo8 N6 Na O32 -","- C30 H45 Mo8 N6 Na O32 -","- C60 H90 Mo16 N12 Na2 O64 -","2","1","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.0998","0.0768","","","0.1602","0.1742","","","","","","1.07","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231965","7.31144","0.00016","9.2985","0.0002","12.3778","0.0002","89.7413","0.0017","88.0129","0.0017","70.786","0.002","794.14","0.03","150","1","150","1","","","","","","","","3","P 1","P 1","1","","","","- C37 H52 O5 -","- C37 H52 O5 -","- C37 H52 O5 -","1","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0254","0.0254","","","0.0739","0.0739","","","","","","1.051","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231966","6.58547","0.00006","23.9331","0.0003","12.23603","0.00011","90","","90","","90","","1928.53","0.03","149.98","0.1","149.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Propanol Solvate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0975","0.0989","","","","","","1.03","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231967","6.41117","0.00007","12.19725","0.00013","37.9575","0.0004","90","","90","","90","","2968.23","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Anhydrate","","- C36 H48 O4 -","- C36 H48 O4 -","- C144 H192 O16 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.1003","0.1015","","","","","","1.073","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231968","6.98287","0.00007","13.56289","0.00014","18.1895","0.0002","90","","90","","90","","1722.69","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Acetontrile Solvate","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0938","0.0956","","","","","","1.05","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231969","6.54127","0.00008","12.05549","0.00014","19.2527","0.0002","90","","90","","90","","1518.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","Estradiol Hemihydrate","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0374","0.0372","","","0.1007","0.101","","","","","","1.062","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231971","17.386","0.004","23.565","0.006","45.325","0.011","90","","90","","90","","18570","8","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C192 H104 Co4 Mo96 N16 O356 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0677","0.0495","","","0.1228","0.1398","","","","","","1.12","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231972","9.4039","0.0019","7.8696","0.0016","9.4732","0.0019","90","","90","","90","","701.1","0.2","153","2","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 O4 -","- C2 H2 N8 O4 -","- C8 H8 N32 O16 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.064","0.0606","","","0.1389","0.1402","","","","","","1.23","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231973","8.8499","0.0018","12.469","0.003","6.0807","0.0012","90","","129.15","0.03","90","","520.4","0.3","153","2","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H6 N8 Na2 O7 -","- C2 H6 N8 Na2 O7 -","- C4 H12 N16 Na4 O14 -","2","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0205","0.0205","","","0.0545","0.0545","","","","","","1.067","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231974","6.1408","0.0012","14.773","0.003","11.457","0.002","90","","100.56","0.03","90","","1021.8","0.4","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Li2 N8 O8 -","- C2 H8 Li2 N8 O8 -","- C8 H32 Li8 N32 O32 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0307","0.0303","","","0.0762","0.0764","","","","","","1.083","","","","has coordinates,has disorder","223583","2020-10-21","18:00:00",""
"7231975","9.1059","0.0018","11.496","0.002","9.1102","0.0018","90","","110.86","0.03","90","","891.2","0.3","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 N8 O4 Rb2 -","- C2 N8 O4 Rb2 -","- C8 N32 O16 Rb8 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0513","0.0442","","","0.0984","0.1042","","","","","","1.237","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231976","24.506","0.005","8.0284","0.0016","4.7044","0.0009","90","","90","","90","","925.6","0.3","153","2","153.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H2 K2 N8 O5 -","- C2 H2 K2 N8 O5 -","- C8 H8 K8 N32 O20 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.036","0.0356","","","0.0881","0.0884","","","","","","1.166","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231977","5.3925","0.0011","7.3559","0.0015","7.4275","0.0015","61.64","0.03","87.56","0.03","69.5","0.03","240.09","0.13","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","1","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0398","0.0394","","","0.0966","0.097","","","","","","1.085","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231978","17.352","0.005","23.578","0.007","45.26","0.013","90","","90","","90","","18517","9","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C192 H96 Mo96 N16 Ni4 O352 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.1517","0.1238","","","0.2686","0.2888","","","","","","1.147","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231979","11.7153","0.0005","7.8003","0.0003","23.8533","0.001","90","","96.471","0.001","90","","2165.9","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O9 Pb2 -","- C44 H40 N6 O9 Pb2 -","- C88 H80 N12 O18 Pb4 -","2","0.5","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.078","0.0692","","","0.1892","0.2051","","","","","","1.004","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231980","19.4892","0.0011","16.7208","0.001","19.5898","0.0016","90","","119.827","0.001","90","","5538.2","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H58 N10 O10 Zn2 -","- C60 H58 N10 O10 Zn2 -","- C240 H232 N40 O40 Zn8 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.1191","0.0747","","","0.1531","0.1849","","","","","","1.066","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231981","10.1766","0.0004","18.0574","0.0008","15.0263","0.0006","90","","108.487","0.001","90","","2618.78","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N5 O5 Zn -","- C28 H25 N5 O5 Zn -","- C112 H100 N20 O20 Zn4 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.0624","0.0438","","","0.1085","0.1188","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231982","22.0684","0.0009","17.0982","0.0007","14.8533","0.0006","90","","104.666","0.001","90","","5422","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Cd2 N10 O10 -","- C56 H50 Cd2 N10 O10 -","- C224 H200 Cd8 N40 O40 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.069","0.054","","","0.1565","0.1695","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231983","21.6439","0.0009","12.7102","0.0005","22.4458","0.0009","90","","111.555","0.005","90","","5743","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H80 Ge2 O120 W20 Zr4 -","- C4 H4 Ge2 O106 W20 Zr4 -","- C8 H8 Ge4 O212 W40 Zr8 -","2","0.5","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.1312","0.0922","","","0.2202","0.2508","","","","","","1.089","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231984","21.3684","0.0007","12.7595","0.0004","22.3975","0.0008","90","","109.631","0.004","90","","5751.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H72 Ge2 K2 O112 W20 Zr4 -","- C4 H2 Ge2 K2 O99 W20 Zr4 -","- C8 H4 Ge4 K4 O198 W40 Zr8 -","2","1","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.0821","0.0612","","","0.1664","0.1809","","","","","","1","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231986","15.397","0.009","15.921","0.009","6.253","0.004","90","","90","","90","","1532.8","1.6","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C68 H60 Co2 N8 O16 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0349","0.0317","","","0.0856","0.0956","","","","","","1.133","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231987","8.0284","0.0014","25.322","0.005","11.209","0.002","90","","102.068","0.003","90","","2228.4","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Co N4 O5 -","- C22 H26 Co N4 O5 -","- C88 H104 Co4 N16 O20 -","4","1","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0726","0.0532","","","0.154","0.1658","","","","","","1.066","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231988","14.6544","0.0017","9.5892","0.0011","18.448","0.002","90","","97.01","0.002","90","","2573","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N6 O14 -","- C48 H46 Co3 N6 O14 -","- C96 H92 Co6 N12 O28 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.045","0.0353","","","0.1016","0.1118","","","","","","1.071","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231989","11.0222","0.0014","15.1754","0.0019","19.331","0.003","90","","100.256","0.004","90","","3181.8","0.8","353","","353","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt bis(N,N-dimethylformamide)","","- C24 H19 Co1.5 N O7 -","- C24 H19 Co1.5 N O7 -","- C96 H76 Co6 N4 O28 -","4","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0508","0.0395","","","0.0892","0.0937","","","","","","1.033","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7231990","13.1391","0.0007","13.3582","0.0006","19.7524","0.001","90","","106.272","0.002","90","","3328","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate","","- C63 H73 Co3 N7 O19 -","- C63 H73 Co3 N7 O19 -","- C126 H146 Co6 N14 O38 -","2","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0342","0.0268","","","0.0601","0.0635","","","","","","1.025","","","","has coordinates","223544","2020-10-21","18:00:00",""
"7231991","17.1291","0.0004","21.8862","0.0005","26.2493","0.0007","90","","90","","90","","9840.6","0.4","258","","258","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C42 H24 Co4 O13 -","- C42.438 H24 Co4 O13 -","- C169.752 H96 Co16 O52 -","4","0.5","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.7","Synchrotron","","0.1212","0.1119","","","0.3473","0.3705","","","","","","1.142","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7231992","13.5409","0.0007","12.9814","0.0008","13.6168","0.0008","90","","90","","90","","2393.6","0.2","293","2","293","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H26 Cl F6 Ir N3 O P -","- C20 H26 Cl F6 Ir N3 O P -","- C80 H104 Cl4 F24 Ir4 N12 O4 P4 -","4","0.5","","Huang, Ming; Li, Yinwu; Liu, Jiahao; Lan, Xiao-Bing; Liu, Yan; Zhao, Cunyuan; Ke, Zhuofeng","A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media","Green Chemistry","2019","21","2","219","","10.1039/C8GC02298D","","","0.71073","MoKα","","0.0475","0.0405","","","0.1057","0.1115","","","","","","1.052","","","","has coordinates,has disorder","224608","2020-10-21","18:00:00",""
"7231993","26.6194","0.0004","26.6194","0.0004","27.22","0.0005","90","","90","","120","","16703.8","0.5","200","","200","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C37 H54 Cl N2 P2 Rh -","- C37 H54 Cl N2 P2 Rh -","- C666 H972 Cl18 N36 P36 Rh18 -","18","0.5","","Lam, Raphael H.; McQueen, Caitlin M. A.; Pernik, Indrek; McBurney, Roy T.; Hill, Anthony F.; Messerle, Barbara A.","Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex","Green Chemistry","2019","21","3","538","","10.1039/C8GC03094D","","","0.71073","MoKα","","0.063","0.0499","","0.1208","0.1103","0.1208","","","","","","0.9753","","","","has coordinates","224636","2020-10-21","18:00:00",""
"7231994","18.576","0.003","18.408","0.002","9.3574","0.0013","90","","97.545","0.009","90","","3172","0.8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","DUT-8(Ni)","Ni2(ndc)2dabco","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C60 H48 N4 Ni4 O16 -","2","0.25","","Petkov, Petko St; Bon, Volodymyr; Hobday, Claire L.; Kuc, Agnieszka B.; Melix, Patrick; Kaskel, Stefan; Düren, Tina; Heine, Thomas","Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni).","Physical chemistry chemical physics : PCCP","2019","21","2","674","680","10.1039/c8cp06600k","","","0.71073","MoKα","","0.1029","0.0826","","","0.2625","0.2809","","","","","","1.151","","","","has coordinates","225326","2020-10-21","18:00:00",""
"7231995","6.8023","0.0003","7.285","0.0004","9.2846","0.0005","93.815","0.004","111.477","0.005","112.513","0.005","383.91","0.04","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N8 O6 -","- C12 H12 Cu N8 O6 -","- C12 H12 Cu N8 O6 -","1","0.5","","Huddart, Benjamin M.; Brambleby, Jamie; Lancaster, Tom; Goddard, Paul A.; Xiao, Fan; Blundell, Stephen J.; Pratt, Francis L.; Singleton, John; Macchi, Piero; Scatena, Rebecca; Barton, Alyssa M.; Manson, Jamie L.","Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO<sub>3</sub>)<sub>2</sub>(pyz)<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2019","21","3","1014","1018","10.1039/c8cp07160h","","","0.71073","MoKα","","0.0204","0.0203","","","0.0542","0.0543","","","","","","1.103","","","","has coordinates","225332","2020-10-21","18:00:00",""
"7232004","6.1982","0.0005","24.956","0.002","10.855","0.0009","90","","97.234","0.008","90","","1665.7","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 S -","- C21 H18 N2 S -","- C84 H72 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.0741","0.0592","","","0.142","0.1526","","","","","","1.079","","","","has coordinates","225334","2020-10-21","18:00:00",""
"7232005","10.7946","0.0007","7.794","0.0006","25.0193","0.0018","90","","96.088","0.006","90","","2093.1","0.3","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.0618","0.0425","","","0.0926","0.1056","","","","","","1.016","","","","has coordinates","225334","2020-10-21","18:00:00",""
"7232006","7.398","0.001","14.3691","0.0015","20.4895","0.0016","90","","91.329","0.008","90","","2177.5","0.4","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.1287","0.0641","","","0.1472","0.1843","","","","","","1.005","","","","has coordinates","225334","2020-10-21","18:00:00",""
"7232007","12.2955","0.0011","13.9512","0.0011","12.4705","0.0014","90","","102.145","0.009","90","","2091.3","0.3","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C108 H88 N8 S4 -","4","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.08","0.0555","","","0.1288","0.152","","","","","","1.045","","","","has coordinates,has disorder","225334","2020-10-21","18:00:00",""
"7232008","41.697","0.004","11.1157","0.0011","9.2068","0.0008","90","","93.753","0.006","90","","4258.1","0.7","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 S -","- C27 H22 N2 S -","- C216 H176 N16 S8 -","8","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min","Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.","Physical chemistry chemical physics : PCCP","2019","21","3","1399","1407","10.1039/c8cp06613b","","","0.71073","MoKα","","0.1337","0.0649","","","0.1275","0.1622","","","","","","1.02","","","","has coordinates","225334","2020-10-21","18:00:00",""
"7232009","7.3687","0.0002","16.4706","0.0004","13.862","0.0004","90","","97.054","0.003","90","","1669.65","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C32 H48 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0354","0.0276","","","0.0572","0.0595","","","","","","1.173","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232010","8.4645","0.0004","13.0802","0.0006","13.1574","0.0006","90","","105.702","0.005","90","","1402.39","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0427","0.0313","","","0.0516","0.0545","","","","","","1.016","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232011","7.4277","0.0005","14.1293","0.0008","16.7699","0.0007","90","","90","","90","","1759.97","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0829","0.0674","","","0.1544","0.1685","","","","","","1.048","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232012","9.947","0.0003","11.5017","0.0003","16.4632","0.0005","90","","107.201","0.003","90","","1799.27","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0303","0.022","","","0.0425","0.0446","","","","","","1.024","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232013","7.2611","0.0008","9.0862","0.001","11.1895","0.0009","67.617","0.009","87.457","0.008","72.163","0.01","647.61","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0678","0.0531","","","0.1248","0.1371","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232014","8.6483","0.0004","15.1885","0.0009","13.352","0.0005","90","","98.887","0.004","90","","1732.79","0.15","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br11 N2 Sb -","- C24 H22 Br11 N2 Sb -","- C48 H44 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0446","0.0301","","","0.0551","0.0597","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232015","7.3255","0.0004","20.6666","0.001","16.5665","0.0007","90","","95.627","0.004","90","","2496","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br11 N2 Sb -","- C10 H10 Br11 N2 Sb -","- C40 H40 Br44 N8 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.1342","0.0906","","","0.231","0.2655","","","","","","1.086","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232016","7.2472","0.0003","9.4088","0.0005","11.5541","0.0005","69.263","0.004","81.162","0.004","71.303","0.004","697.2","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0449","0.0338","","","0.0615","0.0662","","","","","","0.991","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232017","8.9834","0.0004","10.2599","0.0005","10.3601","0.0005","94.223","0.004","102.737","0.004","111.846","0.004","851.62","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0469","0.0329","","","0.0539","0.059","","","","","","1.021","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232018","8.18","0.0005","12.9394","0.0008","12.5865","0.0007","90","","105.412","0.007","90","","1284.3","0.14","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br9 I2 N2 Sb -","- C10 H10 Br9 I2 N2 Sb -","- C20 H20 Br18 I4 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0546","0.0407","","","0.0769","0.0829","","","","","","1.017","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232019","8.4041","0.0009","13.3407","0.0016","12.2371","0.0011","90","","95.731","0.009","90","","1365.1","0.3","130","2","130","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C12 H14 Br11 N2 Sb -","- C12 H14 Br11 N2 Sb -","- C24 H28 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0573","0.0555","","","0.1514","0.1539","","","","","","1.044","","","","has coordinates,has disorder","223549","2020-10-21","18:00:00",""
"7232020","39.377","","43.654","","38.551","","90","","90","","90","","66267.8","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 Co6 N18 O30 -","- C108 H72 Co6 N18 O30 -","- C1728 H1152 Co96 N288 O480 -","16","1","","Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping","Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size","CrystEngComm","2019","21","10","1564","","10.1039/C8CE01942H","","","0.71073","MoKα","","0.0687","0.0489","","","0.1344","0.1484","","","","","","1.001","","","","has coordinates","223488","2020-10-21","18:00:00",""
"7232021","21.2827","0.001","21.2827","0.001","22.0855","0.001","90","","90","","120","","8663.5","0.7","90","2","90.15","","","","","","","","","6","P 3 1 m","P 3 -2","157","","","","- C190 H62.67 Cl1.33 N2 P2 Sc6 -","- C177.333 H39.9996 N2 P1.33333 Sc6 -","- C532 H119.999 N6 P4 Sc18 -","3","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.","Physical chemistry chemical physics : PCCP","2019","21","4","1645","1649","10.1039/c8cp07017b","","","0.71073","MoKα","","0.2138","0.1493","","","0.3455","0.3995","","","","","","1.455","","","","has coordinates,has disorder","225325","2020-10-21","18:00:00",""
"7232022","19.7234","0.001","19.7234","0.001","20.1242","0.0019","90","","90","","120","","6779.7","0.8","50","2","50","0.4","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C150 H62.67 Cl1.33 P2 -","- C136.833 H39.996 P1.33333 -","- C410.5 H119.988 P4 -","3","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.","Physical chemistry chemical physics : PCCP","2019","21","4","1645","1649","10.1039/c8cp07017b","","x-ray","0.71073","MoKα","","0.2053","0.1587","","","0.4081","0.4516","","","","","","1.727","","","","has coordinates,has disorder","225325","2020-10-21","18:00:00",""
"7232027","11.557","0.0004","4.03422","0.00016","27.4354","0.0015","90","","95.906","0.004","90","","1272.34","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Paikar, Arpita; Podder, Debasish; Chowdhury, Srayoshi Roy; Sasmal, Supriya; Haldar, Debasish","Bromine‒bromine interactions enhanced plasticity for the bending of a single crystal without affecting fluorescent properties","CrystEngComm","2019","21","4","589","","10.1039/C8CE02086H","","x-ray","0.71073","MoKα","","0.0448","0.0393","","","0.0846","0.0866","","","","","","1.27","","","","has coordinates","223580","2020-10-21","18:00:00",""
"7232030","7.9313","0.0008","13.313","0.002","11.6544","0.0017","90","","104.509","0.012","90","","1191.3","0.3","295","","295","","0.108","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.815","0.861","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232031","7.7929","0.0005","13.2989","0.0018","11.5902","0.0013","90","","104.082","0.008","90","","1165.1","0.2","295","","295","","0.237","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.299","0.875","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232032","7.592","0.0004","13.2615","0.0014","11.4988","0.0012","90","","103.49","0.008","90","","1125.77","0.18","295","","295","","0.563","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.818","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232033","7.4909","0.0004","13.2386","0.0014","11.4562","0.0011","90","","103.241","0.007","90","","1105.9","0.17","295","","295","","0.767","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.233","0.824","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232034","7.8517","0.0005","13.3034","0.0017","11.6174","0.0011","90","","104.251","0.008","90","","1176.1","0.2","295","","295","","0.171","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.454","0.852","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232035","7.6938","0.0005","13.2818","0.0016","11.5506","0.0012","90","","103.783","0.006","90","","1146.3","0.2","295","","295","","0.382","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.198","0.814","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232036","7.2068","0.0006","13.153","0.002","11.3365","0.0016","90","","102.812","0.011","90","","1047.8","0.2","295","","295","","1.63","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.147","0.834","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232037","7.4126","0.0004","13.2122","0.0015","11.4253","0.0011","90","","103.122","0.008","90","","1089.74","0.18","295","","295","","0.975","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.777","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232038","6.9954","0.0005","13.0631","0.0018","11.2417","0.0013","90","","102.703","0.009","90","","1002.1","0.2","295","","295","","2.628","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.558","1.063","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232039","7.8566","0.0004","13.3005","0.0015","11.6219","0.001","90","","104.253","0.007","90","","1177.07","0.18","295","","295","","0.152","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.331","0.87","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232040","6.8305","0.0005","12.9782","0.0018","11.1656","0.0013","90","","102.712","0.008","90","","965.54","0.19","295","","295","","3.751","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.09","1.04","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232041","6.6919","0.0005","12.9085","0.0017","11.0915","0.0013","90","","102.807","0.009","90","","934.27","0.18","295","","295","","5.01","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","0.968","0.925","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232042","6.9097","0.0005","13.022","0.002","11.1993","0.0015","90","","102.719","0.008","90","","983","0.2","295","","295","","3.186","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.132","0.858","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232043","6.6153","0.0005","12.8677","0.0016","11.0478","0.0012","90","","102.898","0.008","90","","916.7","0.17","295","","295","","5.842","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.105","1.002","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232044","8.011","0.003","13.395","0.003","11.726","0.004","90","","104.759","0.019","90","","1216.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0686","0.0686","","","0.1749","0.1749","","","","","","1.463","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232045","7.765","0.003","13.283","0.003","11.615","0.004","90","","104.14","0.019","90","","1161.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9.009 N3 O2 S -","- C48 H36.036 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0673","0.0673","","","0.1795","0.1795","","","","","","1.498","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232046","7.713","0.002","13.271","0.003","11.611","0.004","90","","104.004","0.019","90","","1153.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0701","0.0701","","","0.1881","0.1881","","","","","","1.549","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232047","7.651","0.002","13.243","0.003","11.624","0.004","90","","104.118","0.019","90","","1142.2","0.6","40","2","166","13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.069","0.069","","","0.1795","0.1795","","","","","","1.448","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232048","7.67","0.002","13.254","0.003","11.618","0.004","90","","104.066","0.018","90","","1145.7","0.6","60","2","60","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0718","0.0718","","","0.1909","0.1909","","","","","","1.551","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232049","11.4105","0.0006","13.539","0.0007","15.3325","0.0008","88.783","0.004","68.821","0.005","68.65","0.005","2040.5","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0616","0.0411","","","0.074","0.0833","","","","","","1.026","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232050","11.3766","0.0007","13.5678","0.0009","15.2994","0.0011","89.045","0.006","68.623","0.007","69.011","0.006","2035.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0695","0.0452","","","0.0758","0.0865","","","","","","1.024","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232051","11.4004","0.001","13.5367","0.0012","15.3073","0.0013","88.899","0.007","68.79","0.008","68.798","0.008","2036.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0647","0.0438","","","0.0791","0.0906","","","","","","1.039","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232052","9.888","0.0012","7.9929","0.0009","15.162","0.0018","90","","90","","90","","1198.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isonicotinamide","4-pyridinecarboxamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Vicatos, Alexios I.; Caira, Mino R.","A new polymorph of the common coformer isonicotinamide","CrystEngComm","2019","21","5","843","","10.1039/C8CE01588K","","","0.71073","MoKα","","0.0564","0.0532","","","0.1414","0.1455","","","","","","1.035","","","","has coordinates","223547","2020-10-21","18:00:00",""
"7232053","8.595","0.007","4.645","0.004","22.624","0.018","90","","91.293","0.018","90","","903","1.3","149.61","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O6 -","- C18 H18 N6 O6 -","- C36 H36 N12 O12 -","2","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.236","0.0936","","","0.1552","0.2091","","","","","","0.991","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232054","13.5266","0.0018","10.2411","0.0014","13.4172","0.0017","90","","116.838","0.004","90","","1658.4","0.4","149.15","","149.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0815","0.0472","","","0.1134","0.136","","","","","","1.059","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232055","6.018","0.0007","7.393","0.0009","9.3115","0.001","77.213","0.007","82.358","0.007","86.071","0.008","400.09","0.08","149.61","","149.61","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N6 O6 -","- C16 H14 N6 O6 -","- C16 H14 N6 O6 -","1","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.1179","0.0583","","","0.1212","0.145","","","","","","1.035","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232056","9.3151","0.0003","4.9197","0.0002","16.7332","0.0006","90","","95.356","0.001","90","","763.49","0.05","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 O2 -","- C16 H14 N6 O2 -","- C32 H28 N12 O4 -","2","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0413","0.0385","","","0.0959","0.0983","","","","","","1.038","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232057","4.669","0.005","8.554","0.008","28.15","0.03","90","","90","","90","","1124","2","149.59","","149.59","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.087","0.0634","","","0.1382","0.1478","","","","","","1.058","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232058","13.073","0.006","4.901","0.002","16.934","0.008","90","","106.837","0.013","90","","1038.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C40 H44 N12 O16 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.149","0.088","","","0.1681","0.1914","","","","","","1.043","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232059","9.9817","0.0012","6.6498","0.0008","15.4052","0.0018","90","","90","","90","","1022.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0444","0.0388","","","0.1038","0.109","","","","","","1.111","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232060","6.1954","0.0013","9.278","0.002","9.776","0.002","90","","91.993","0.006","90","","561.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C12 H4 N28 O4 -","2","0.5","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0652","0.0622","","","0.1858","0.1884","","","","","","1.188","","","","has coordinates","223551","2020-10-21","18:00:00",""
"7232061","5.7955","0.0012","9.7961","0.0019","19.767","0.004","90","","92.904","0.007","90","","1120.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C24 H8 N56 O8 -","4","1","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0653","0.0507","","","0.1296","0.1381","","","","","","1.046","","","","has coordinates","223551","2020-10-21","18:00:00",""
"7232062","12.452","0.0005","13.7523","0.0006","25.1444","0.0009","91.559","0.001","95.731","0.001","102.126","0.001","4183.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 F18 N16 Ni4 O26 S6 -","- C62 H40 F18 N16 Ni4 O26 S6 -","- C124 H80 F36 N32 Ni8 O52 S12 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0616","0.047","","","0.14","0.1528","","","","","","1.024","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232063","12.3939","0.0006","26.0105","0.0012","26.2478","0.0013","112.794","0.0015","95.4248","0.0017","97.6923","0.0018","7630.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H118 Cl12 N32 Ni8 O69 -","- C112 H80 Cl12 N32 Ni8 O69 -","- C224 H160 Cl24 N64 Ni16 O138 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1088","0.0603","","","0.1418","0.1685","","","","","","1.03","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232064","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N22 Ni4 O36 -","- C112 H80 N44 Ni8 O72 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1257","0.1095","","","0.2901","0.3103","","","","","","1.048","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232065","12.4085","0.0004","23.2955","0.0008","28.0056","0.0009","86.006","0.002","81.19","0.002","83.687","0.002","7939.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cl10 N32 Ni8 O62 -","- C120 H104 Cl10.0001 N32 Ni8 O61.9996 -","- C240 H208 Cl20.0002 N64 Ni16 O123.999 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0744","0.0591","","","0.1711","0.1863","","","","","","1.042","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232066","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N16 Ni4 O4 -","- C112 H80 N32 Ni8 O8 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.08","0.0712","","","0.2078","0.2149","","","","","","1.104","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232067","27.5506","0.0015","13.4067","0.0007","22.7853","0.0012","90","","98.378","0.001","90","","8326.2","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C48 H428 Al8 Cu12 Mo48 N48 O286 -","2","0.25","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0399","0.0277","","","0.0575","0.0608","","","","","","1.053","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232068","8.2068","0.0005","21.0385","0.0013","24.5141","0.0015","90","","96.205","0.001","90","","4207.8","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Cr Cu Mo6 N12 O31 -","- C12 H34 Cr Cu Mo6 N12 O31 -","- C48 H136 Cr4 Cu4 Mo24 N48 O124 -","4","1","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0864","0.044","","","0.0818","0.096","","","","","","0.988","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232069","11.5188","0.0005","5.9468","0.0003","21.01","0.001","90","","99.854","0.001","90","","1417.95","0.12","296","2","296.15","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C14 H40 Cr2 Cu4 K2 Mo12 N12 O52 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0292","0.0249","","","0.0615","0.0631","","","","","","1.085","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232070","27.6717","0.0016","13.4767","0.0008","22.8522","0.0013","90","","98.44","0.001","90","","8429.8","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C48 H428 Cr8 Cu12 Mo48 N48 O286 -","4","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0599","0.0358","","","0.0754","0.0838","","","","","","0.979","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232071","16.1041","0.0011","11.6957","0.0008","27.93","0.002","90","","95.28","0.002","90","","5238.3","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C28 H196 Cd6 Cr6 Mo36 N24 O204 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1186","0.0734","","","0.2085","0.2391","","","","","","1.04","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232072","6.4672","0.0016","10.482","0.003","13.154","0.003","87.291","0.003","85.271","0.005","84.015","0.005","883.1","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1103","0.0512","","","0.112","0.1289","","","","","","0.959","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232073","6.4711","0.0003","15.2046","0.0006","16.6977","0.0007","96.961","0.001","99.683","0.001","98.53","0.001","1583.48","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0218","0.0195","","","0.0464","0.0474","","","","","","1.11","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232074","7.5577","0.0004","9.998","0.0005","12.26","0.0006","75.432","0.001","79.59","0.001","69.491","0.001","835.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O6 -","- C14 H11 Cd N O6 -","- C28 H22 Cd2 N2 O12 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0244","0.0217","","","0.0652","0.0663","","","","","","1.078","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232075","8.1208","0.0016","10.241","0.002","12.376","0.003","106.79","0.03","99.48","0.03","104.1","0.03","924.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cd N2 O7 -","- C19 H15 Cd N2 O7 -","- C38 H30 Cd2 N4 O14 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0688","0.0497","","","0.098","0.1058","","","","","","1.033","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232076","7.6825","0.0004","10.0737","0.0004","13.2714","0.0006","70.544","0.001","89.008","0.002","74.231","0.002","928.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cd N O9 -","- C18 H16 Cd N O9 -","- C36 H32 Cd2 N2 O18 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.1312","0.0618","","","0.0849","0.0996","","","","","","1.013","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232077","5.6109","0.0006","14.914","0.0018","20.848","0.003","90","","96.566","0.006","90","","1733.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N6 O5 -","- C15 H14 F2 N6 O5 -","- C60 H56 F8 N24 O20 -","4","1","","Owoyemi, Bolaji C. Dayo; da Silva, Cecilia C. P.; Diniz, Luan F.; Souza, Matheus S.; Ellena, Javier; Carneiro, Renato L.","Fluconazolium oxalate: synthesis and structural characterization of a highly soluble crystalline form","CrystEngComm","2019","21","7","1114","","10.1039/C8CE01729H","","","0.71073","MoKα","","0.1326","0.0551","","","0.128","0.1581","","","","","","1.047","","","","has coordinates,has disorder","223653","2020-10-21","18:00:00",""
"7232078","17.96","0.004","12.903","0.002","24.414","0.004","90","","127.047","0.011","90","","4515.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Cd3 N6 O17 -","- C48 H38 Cd3 N6 O17 -","- C192 H152 Cd12 N24 O68 -","4","1","","Gao, Wei; Liu, Feng; Pan, Chang-Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","A stable anionic metal‒organic framework with open coordinated sites: selective separation toward cationic dyes and sensing properties","CrystEngComm","2019","21","7","1159","","10.1039/C8CE02060D","","","0.71073","MoKα","","0.0883","0.0453","","","0.0893","0.1056","","","","","","1.012","","","","has coordinates","223655","2020-10-21","18:00:00",""
"7232079","4.4913","0.0009","10.893","0.002","12.672","0.003","106.87","0.03","99.66","0.03","92.3","0.03","582.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 N4 O8 P -","- C6 H9 N4 O8 P -","- C12 H18 N8 O16 P2 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.033","0.0298","","","0.0789","0.0812","","","","","","1.036","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232080","4.2098","0.0005","6.9632","0.0009","14.2021","0.0018","90","","92.36","0.003","90","","415.96","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0397","0.0331","","","0.077","0.0806","","","","","","1.038","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232081","7.9863","0.0016","14.566","0.003","16.208","0.003","77.88","0.03","80.9","0.03","87.87","0.03","1820.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N16 O21 -","- C24 H27 Cl N16 O21 -","- C48 H54 Cl2 N32 O42 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0987","0.0527","","","0.1198","0.1408","","","","","","0.964","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232082","13.4449","0.0014","7.8221","0.0009","7.8587","0.0009","90","","103.134","0.003","90","","804.86","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0423","0.0333","","","0.0826","0.0892","","","","","","1.047","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232083","15.801","0.003","12.931","0.003","24.475","0.005","90","","90.04","0.03","90","","5000.8","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C144 H192 N64 O96 -","16","4","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0941","0.0473","","","0.1037","0.1264","","","","","","1.01","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232084","6.5991","0.0006","10.8137","0.001","15.2509","0.0012","84.753","0.003","81.706","0.003","74.843","0.003","1037.82","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N20 O11 Pb2 -","- C4 H14 N20 O11 Pb2 -","- C8 H28 N40 O22 Pb4 -","2","1","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.1061","0.0543","","","0.0853","0.0974","","","","","","1.03","","","","has coordinates,has disorder","223597","2020-10-21","18:00:00",""
"7232085","11.4741","0.0012","17.026","0.002","5.9443","0.0006","90","","90","","90","","1161.3","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H6 N10 O6 Pb2 -","- C2 H6 N10 O6 Pb2 -","- C8 H24 N40 O24 Pb8 -","4","0.5","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.0755","0.0382","","","0.0813","0.0923","","","","","","1.059","","","","has coordinates","223597","2020-10-21","18:00:00",""
"7232086","14.073","0.0006","6.8273","0.0004","12.0491","0.0007","90","","90","","90","","1157.68","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","0.5","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.064","0.0538","","","0.1367","0.1437","","","","","","1.11","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232087","12.4248","0.0005","22.9673","0.0007","9.8566","0.0004","90","","112.446","0.005","90","","2599.63","0.19","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(tert-butyl)-2-methyl-2H-naphtho[1,8-bc]furan-2-ol","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0832","0.0611","","","0.1344","0.145","","","","","","1.053","","","","has coordinates,has disorder","223595","2020-10-21","18:00:00",""
"7232088","8.2578","0.0004","10.5748","0.0005","23.1819","0.0012","99.596","0.004","91.72","0.004","104.122","0.004","1930.4","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylguanidinium 8-benzoylnaphth-1-oate","","- C22 H25.1 N3 O2.05 -","- C22 H25.1 N3 O2.05 -","- C88 H100.4 N12 O8.2 -","4","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0952","0.067","","","0.1155","0.1258","","","","","","1.128","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232089","17.3065","0.0005","17.6303","0.0004","8.0817","0.0002","90","","90","","90","","2465.88","0.11","110","2","110","2","","","","","","","","3","I b a 2","I 2 -2c","45","","8-Benzoyl-naphth-1-ol","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0351","0.0331","","","0.0782","0.0791","","","","","","1.056","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232090","9.9122","0.0002","13.8433","0.0003","13.9018","0.0003","90","","90","","90","","1907.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-Acetylnaphth-1-ol","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0506","0.0418","","","0.0908","0.0953","","","","","","1.022","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232091","15.1117","0.0006","15.6707","0.0007","16.4672","0.0007","80.552","0.004","69.591","0.004","61.179","0.004","3202.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","bis(dimethylamino)methaniminium 8-acetylnaphthalen-1-olate","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C136 H184 N24 O16 -","8","4","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0885","0.0555","","","0.1127","0.1289","","","","","","1.05","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232092","27.588","0.004","8.2227","0.0004","19.874","0.003","90","","132.66","0.03","90","","3315.4","1.8","149.97","0.12","149.97","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)pyridine 1-(8'-hydroxynaphthalen-1'-yl)ethanonemolecular complex","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1238","0.0722","","","0.1293","0.1505","","","","","","1.095","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232093","10.1265","0.0011","25.804","0.003","7.9261","0.0007","90","","105.497","0.01","90","","1995.8","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)pyridine 1-(2'-t-butyl-8'-hydroxylnaphthalen-1'-yl)ethanonemolecular complex","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1251","0.0691","","","0.1188","0.1373","","","","","","1.027","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232094","10.8607","0.0007","8.0882","0.0005","15.3629","0.0009","90","","100.51","0.005","90","","1326.89","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-2-cyano-3-(1-hydroxynaphthalen-8-yl)acrylate","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0695","0.0553","","","0.1163","0.1235","","","","","","1.101","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232095","9.9169","0.0005","7.4879","0.0002","15.8768","0.0006","90","","108.096","0.005","90","","1120.65","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((8'-hydroxynaphthalen-1'-yl)methylene)malononitrile","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0729","0.0527","","","0.1017","0.1102","","","","","","1.098","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232096","8.4313","0.0005","26.5593","0.0011","9.5945","0.0005","90","","114.586","0.007","90","","1953.7","0.2","150","10","150","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino) pyridine 1-(8'-hydroxynaphthalen-1'-yl)-2-methylbutan-1-onemolecular complex","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1105","0.0738","","","0.1639","0.1822","","","","","","1.071","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232097","7.3963","0.0003","14.2452","0.0004","13.5274","0.0005","90","","105.187","0.004","90","","1375.49","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-((8'-hydroxynaphthalen-1'-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0752","0.0573","","","0.1123","0.1198","","","","","","1.106","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232098","6.9441","0.0004","8.8146","0.0004","14.8418","0.0008","77.773","0.004","78.744","0.004","76.371","0.004","852.7","0.08","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","7a-hydroxy-9-phenyl-7a,8,9,10-tetrahydro-11H-benzo[f]naphtho[1,8-bc]oxepin-11-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0936","0.069","","","0.1395","0.1519","","","","","","1.101","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232099","13.4588","0.0005","9.4421","0.0003","20.9855","0.0009","90","","95.122","0.004","90","","2656.17","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-(2'H-naphtho[1,8-bc]furan-2'yl)cyclohex-2-en-1-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1099","0.0763","","","0.1853","0.2046","","","","","","1.198","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232100","37.3853","0.0007","37.3853","0.0007","11.2109","0.0002","90","","90","","120","","13569.8","0.4","120","2","120.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","2","","","- C34 H34 Br2 O4 -","- C34 H34 Br2 O4 -","- C612 H612 Br36 O72 -","18","1","","Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J.","A self-assembled nanotube supported by halogen bonding interactions","CrystEngComm","2019","21","5","786","","10.1039/C8CE01824C","","","0.71073","MoKα","","0.0876","0.0523","","","0.1054","0.1164","","","","","","1.088","","","","has coordinates","223550","2020-10-21","18:00:00",""
"7232101","10.007","0.0005","13.2653","0.0007","15.0577","0.0008","80.234","0.002","71.193","0.002","70.137","0.002","1775.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 Cl2 N4 O6 -","- C39 H43 Cl2 N4 O6 -","- C78 H86 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0782","0.0647","","","0.1758","0.1855","","","","","","1.035","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232102","9.9312","0.0005","13.0381","0.0007","14.9669","0.0008","78.504","0.002","71.545","0.002","71.592","0.002","1733.59","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H40 Cl2 N4 O6 -","- C37.5 H40 Cl2 N4 O6 -","- C75 H80 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0765","0.0563","","","0.1497","0.1629","","","","","","1.044","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232103","19.602","0.0017","10.4596","0.0009","15.8952","0.0014","90","","107.358","0.002","90","","3110.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.054","0.0527","","","0.1516","0.1531","","","","","","1.042","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232104","9.9249","0.0009","13.0873","0.0012","15.1023","0.0014","78.486","0.003","71.671","0.003","71.466","0.003","1754.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0745","0.0625","","","0.1745","0.1851","","","","","","1.064","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232105","9.9494","0.0007","13.0577","0.001","15.047","0.0011","78.907","0.002","71.437","0.002","70.82","0.002","1741.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Cl2 N4 O6 -","- C38 H41 Cl2 N4 O6 -","- C76 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0548","0.0479","","","0.1294","0.1344","","","","","","1.052","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232106","9.9163","0.0005","13.1401","0.0007","14.9925","0.0008","78.987","0.002","71.536","0.002","71.106","0.002","1744.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0644","0.0475","","","0.1214","0.1308","","","","","","1.041","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232107","9.9369","0.0005","13.0256","0.0007","14.9773","0.0008","78.67","0.003","71.719","0.003","71.595","0.003","1736.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H41 Cl2 N4 O6 -","- C37.5 H41 Cl2 N4 O6 -","- C75 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.1637","0.089","","","0.2211","0.2603","","","","","","1.046","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232108","3.9611","0.0002","13.3377","0.0005","14.48","0.0005","90","","97.848","0.002","90","","757.84","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorobenzonitrile oxide","2,6-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","1.54178","CuKα","","0.0396","0.0368","","","0.0944","0.0969","","","","","","1.068","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232109","25.671","0.015","3.903","0.002","14.123","0.008","90","","106.068","0.006","90","","1359.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromobenzonitrile oxide","3-bromobenzonitrile-N-oxide","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C56 H32 Br8 N8 O8 -","8","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0693","0.0434","","","0.0989","0.1102","","","","","","1.04","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232110","3.7857","0.001","12.616","0.003","15.632","0.004","90","","93.847","0.004","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-dichlorobenzonitrile oxide","2,3-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0277","0.0254","","","0.0595","0.0605","","","","","","1.06","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232111","4.5995","0.0004","7.7964","0.0007","9.3711","0.0008","90","","101.201","0.001","90","","329.64","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-chlorobenzonitrile oxide","4-chlorobenzonitrile-N-oxide","","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C14 H8 Cl2 N2 O2 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0269","0.0244","","","0.0675","0.0698","","","","","","1.092","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232112","6.9929","0.0002","9.6745","0.0003","10.9094","0.0003","97.057","0.002","97.633","0.002","96.111","0.002","720.29","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N2 -","- C18 H15 N2 -","- C36 H30 N4 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0629","0.0585","","","0.1601","0.1667","","","","","","1.004","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232113","6.9689","0.0002","10.7206","0.0003","18.531","0.0004","97.772","0.002","100.438","0.002","107.389","0.003","1272.6","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0856","0.0726","","","0.1471","0.1524","","","","","","0.996","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232114","15.3925","0.0006","6.8374","0.0003","12.8802","0.0005","90","","93.087","0.003","90","","1353.61","0.1","296","2","296","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C34 H28 N4 -","- C34 H28 N4 -","- C68 H56 N8 -","2","0.25","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","x-ray","1.54184","CuKα","","0.0572","0.046","","","0.149","0.1623","","","","","","1.126","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232115","7.9686","0.0006","8.6786","0.0006","11.2515","0.0008","95.505","0.006","106.522","0.006","113.65","0.007","663.5","0.1","277.3","0.1","277.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 La O9.5 -","- C9 H13 La O9.5 -","- C18 H26 La2 O19 -","2","1","","Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis","2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions","CrystEngComm","2019","21","7","1137","","10.1039/C8CE01983E","","","0.71073","MoKα","","0.042","0.0329","","","0.0475","0.0506","","","","","","1.01","","","","has coordinates","223657","2020-10-21","18:00:00",""
"7232116","9.5953","0.0005","10.9758","0.0003","15.4396","0.0006","101.8","0.003","102.572","0.004","93.998","0.003","1542.37","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4-Iodobenzoate-tin-tetraiodoporphrin","","","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0817","0.061","","","0.1766","0.1995","","","","","","1.027","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232117","11.6409","0.0005","12.3154","0.0006","13.1057","0.0004","98.307","0.003","104.865","0.003","117.3","0.004","1536.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Nitrobenzoate-tin-tetraiodoporphrin","","","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0861","0.06","","","0.1786","0.2051","","","","","","1.087","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232118","11.2861","0.0004","11.7958","0.0003","13.3288","0.0003","103.991","0.002","95.327","0.002","111","0.002","1575.58","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Nitrobenzoate-tin-tetraiodoporphrin","","","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0461","0.0363","","","0.0797","0.0839","","","","","","1.093","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232119","8.0433","0.0004","12.3567","0.0006","15.1084","0.0009","69.576","0.005","85.741","0.004","87.539","0.004","1403.09","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Iodobenzoate-tin-tetraiodoporphrin","","","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0584","0.0465","","","0.1269","0.1358","","","","","","1.084","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232120","8.8373","0.0005","10.7391","0.0006","14.9694","0.0009","98.367","0.005","101.545","0.005","96.724","0.004","1361.35","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dichloromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0864","0.0588","","","0.1507","0.1655","","","","","","1.021","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232121","8.8374","0.0007","10.7088","0.0006","15.0404","0.0011","98.727","0.005","101.652","0.006","96.887","0.006","1361.15","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dibromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.1335","0.0699","","","0.1521","0.1709","","","","","","1.037","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232122","9.64","0.0005","10.8143","0.0006","15.1088","0.0007","100.646","0.004","102.72","0.004","93.71","0.004","1500.84","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Bromobenzoate-tin-tetraiodoporphrin","","","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.091","0.0599","","","0.1662","0.1831","","","","","","1.076","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232123","14.2058","0.0003","17.3651","0.0005","11.8806","0.0003","90","","97.847","0.002","90","","2903.32","0.13","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,5-Difluoromobenzoate-tin-tetraiodoporphrin","","","- C60 H36 F4 I4 N4 O5 S Sn -","- C60 H36 F4 I4 N4 O5 S Sn -","- C120 H72 F8 I8 N8 O10 S2 Sn2 -","2","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0699","0.0542","","","0.1647","0.1756","","","","","","1.031","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232124","17.008","0.002","10.0083","0.001","19.248","0.002","90","","108.513","0.01","90","","3106.9","0.6","299","2","299","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and 4-stilbazole","","","- C18 H13 I N -","- C18 H13 I N -","- C144 H104 I8 N8 -","8","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0435","0.0277","","","0.0619","0.0707","","","","","","1.013","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232125","7.5641","0.0012","8.3619","0.0012","17.5","0.003","94.126","0.008","96.466","0.008","106.153","0.007","1050.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethyne","","","- C22 H12 I2 N2 -","- C22 H12 I2 N2 -","- C44 H24 I4 N4 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0557","0.0339","","","0.0847","0.0958","","","","","","1.016","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232126","12.8031","0.0015","9.5117","0.0013","17.856","0.003","90","","107.973","0.008","90","","2068.4","0.5","298","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethene","","","- C22 H14 I2 N2 -","- C22 H14 I2 N2 -","- C88 H56 I8 N8 -","4","0.5","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.2029","0.0862","","","0.188","0.2472","","","","","","0.971","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232127","12.9604","0.0018","6.4988","0.0009","10.5705","0.0015","90","","90","","90","","890.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.94 Ta0.06 Ti0.94 -","- O5 P Rb0.9375 Ta0.0625 Ti0.9375 -","- O40 P8 Rb7.5 Ta0.5 Ti7.5 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","0.71073","MoKα","","0.0638","0.0572","","","0.1535","0.1588","","","","","","1.083","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232128","12.9584","0.0018","6.4968","0.0009","10.5615","0.0015","90","","90","","90","","889.2","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.9 Ta0.1 Ti0.9 -","- O5 P Rb0.8995 Ta0.1005 Ti0.8995 -","- O40 P8 Rb7.196 Ta0.804 Ti7.196 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","1.54178","CuKα","","0.1183","0.118","","","0.3064","0.3065","","","","","","1.154","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232129","7.988","0.0006","5.7019","0.0005","11.3808","0.0008","90","","97.745","0.007","90","","513.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Co H14 N4 O2 -","- Cl4 Co H14 N4 O2 -","- Cl8 Co2 H28 N8 O4 -","2","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0429","0.0311","","","0.0548","0.0602","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232130","7.5839","0.0003","9.1752","0.0004","15.0656","0.0006","89.821","0.004","84.447","0.003","75.697","0.004","1010.82","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0795","0.0818","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232131","8.9779","0.0004","10.9705","0.0004","11.7726","0.0005","90","","94.423","0.004","90","","1156.05","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl5 H15 Mn N6 -","- Cl5 H15 Mn N6 -","- Cl20 H60 Mn4 N24 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0403","0.0323","","","0.0757","0.0801","","","","","","1.044","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232132","5.5411","0.0001","13.9707","0.0003","9.963","0.0003","90","","92.648","0.002","90","","770.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H9 Mn N2 O2 -","- Cl3 H9 Mn N2 O2 -","- Cl12 H36 Mn4 N8 O8 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0297","0.027","","","0.066","0.0688","","","","","","1.065","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232133","3.7868","0.0006","5.6827","0.0009","8.7079","0.0011","99.853","0.012","98.563","0.012","91.568","0.013","182.3","0.05","150","0.4","150","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0331","0.0314","","","0.0806","0.0844","","","","","","1.096","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232134","13.4813","0.0004","8.2397","0.0003","6.9346","0.0002","90","","90","","90","","770.31","0.04","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","DBN-CO2","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0459","0.0448","","","0.1153","0.1162","","","","","","1.12","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232135","10.9982","0.0001","9.2785","0.0001","14.3717","0.0002","90","","105.714","0.001","90","","1411.77","0.03","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N3 O2 -","- C13 H23 N3 O2 -","- C52 H92 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0547","0.0398","","","0.0956","0.1038","","","","","","1.054","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232136","9.3632","0.0001","18.2488","0.0002","8.129","0.0001","90","","114.812","0.0007","90","","1260.76","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N3 O2 -","- C12 H21 N3 O2 -","- C48 H84 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0475","0.0417","","","0.1073","0.1115","","","","","","1.096","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00",""
"7232137","9.9385","0.0002","10.0425","0.0002","24.7502","0.0004","90","","90","","90","","2470.25","0.08","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 -","- C13 H19 N3 -","- C104 H152 N24 -","8","2","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.046","0.0446","","","0.1198","0.1212","","","","","","1.064","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232138","7.7428","0.0006","11.1556","0.0009","10.4925","0.0008","90","","98.844","0.001","90","","895.52","0.12","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[DBNH][HCO3]","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0412","0.0385","","","0.0956","0.0977","","","","","","1.043","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232139","8.1469","0.0001","10.0659","0.0001","12.9174","0.0002","90","","104.799","0.001","90","","1024.16","0.02","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[MTBDH][HCO3]","","- C9 H17 N3 O3 -","- C9 H17 N3 O3 -","- C36 H68 N12 O12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0448","0.0382","","","0.0959","0.0999","","","","","","1.038","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232140","12.5296","0.0002","8.0939","0.0001","19.7181","0.0004","90","","98.5378","0.0012","90","","1977.52","0.06","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N3 -","- C23 H29 N3 -","- C92 H116 N12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0665","0.0499","","","0.1284","0.1379","","","","","","1.032","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00",""
"7232141","14.3302","0.0002","9.2194","0.0001","12.9756","0.0002","90","","104.588","0.0006","90","","1659.02","0.04","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N3 O2 -","- C16 H29 N3 O2 -","- C64 H116 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0387","0.0368","","","0.1011","0.1027","","","","","","1.057","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232142","10.3765","0.0001","13.1188","0.0002","11.2806","0.0002","90","","114.605","0.0006","90","","1396.17","0.04","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O2 -","- C13 H23 N3 O2 -","- C52 H92 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0426","0.042","","","0.1128","0.1135","","","","","","1.06","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232143","15.2506","0.0003","10.8267","0.0002","10.8569","0.0002","90","","90.09","0.001","90","","1792.62","0.06","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 B F4 N3 -","- C15 H30 B F4 N3 -","- C60 H120 B4 F16 N12 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0437","0.0416","","","0.1054","0.1065","","","","","","1.085","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232144","6.6679","0.0003","14.6889","0.0005","9.6025","0.0004","90","","104.13","0.0018","90","","912.05","0.06","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C32 H52 N12 O8 -","4","1","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0416","0.0391","","","0.1085","0.111","","","","","","1.052","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232145","14.6071","0.0002","41.9109","0.0007","14.5422","0.0002","90","","117.159","0.001","90","","7921.1","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H31.5 N3 O2 -","- C19.5 H31.5 N3 O2 -","- C312 H504 N48 O32 -","16","4","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0577","0.0497","","","0.1188","0.1241","","","","","","1.057","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00",""
"7232146","11.8565","0.0005","11.8565","0.0005","24.0309","0.0013","90","","90","","90","","3378.2","0.3","100","2","100","","","","","","","","","4","P 41","P 4w","76","","","","- C16 H29 N3 O2 -","- C16 H29 N3 O2 -","- C128 H232 N24 O16 -","8","2","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0418","0.0366","","","0.0741","0.0763","","","","","","1.072","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00",""
"7232147","11.669","0.0015","13.2521","0.0012","15.392","0.002","97.117","0.009","104.178","0.011","115.42","0.011","2011.7","0.5","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Mo2 N4 O21 -","- C34 H28 Mo2 N4 O21 -","- C68 H56 Mo4 N8 O42 -","2","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","1.54184","CuKα","","0.1083","0.0769","","","0.2138","0.2387","","","","","","1.037","","","","has coordinates","213001","2020-10-21","18:00:00",""
"7232148","7.6683","0.0003","12.0711","0.0003","22.2111","0.0006","90","","90","","90","","2055.97","0.11","173","0.14","173","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl Mo N O10 -","- C14 H28 Cl Mo N O10 -","- C56 H112 Cl4 Mo4 N4 O40 -","4","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","0.71073","MoKα","","0.0618","0.0505","","","0.0805","0.0857","","","","","","1.059","","","","has coordinates","213001","2020-10-21","18:00:00",""
"7232149","9.7975","0.0003","13.8912","0.0007","18.5268","0.0008","100.57","0.004","94.254","0.003","101.331","0.004","2414.44","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 K2 Mo5 N12 O28 -","- C30 H38 K2 Mo5 N12 O28 -","- C60 H76 K4 Mo10 N24 O56 -","2","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","1.54184","CuKα","","0.0487","0.0465","","","0.1276","0.1299","","","","","","1.046","","","","has coordinates,has disorder","213001","2020-10-21","18:00:00",""
"7232150","21.9484","0.0004","15.2878","0.0003","15.523","0.0003","90","","103.66","0.002","90","","5061.3","0.17","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Mo5 N12 O29 S -","- C30 H42 Mo5 N12 O29 S -","- C120 H168 Mo20 N48 O116 S4 -","4","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","1.54184","CuKα","","0.0462","0.0446","","","0.1137","0.1153","","","","","","1.052","","","","has coordinates,has disorder","213001","2020-10-21","18:00:00",""
"7232151","10.136","0.003","10.925","0.003","11.309","0.003","104.454","0.003","109.13","0.003","91.112","0.004","1138.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O8 S -","- C24 H26 N2 O8 S -","- C48 H52 N4 O16 S2 -","2","1","","Liu, Honglei; Lin, Yan; Zhao, Yan; Xiao, Miaoren; Zhou, Leijie; Wang, Qijun; Zhang, Cheng; Wang, Dongqi; Kwon, Ohyun; Guo, Hongchao","Phosphine-Promoted [4 + 3] Annulation of Allenoate with Aziridines for Synthesis of Tetrahydroazepines: Phosphine-Dependent [3 + 3] and [4 + 3] Pathways.","RSC advances","2019","9","3","1214","1221","10.1039/C8RA09852B","","","0.71073","MoKα","","0.0526","0.0386","","","0.0926","0.1001","","","","","","1.044","","","","has coordinates","225354","2020-10-21","18:00:00",""
"7232152","11.0094","0.0004","6.077","0.0002","12.4535","0.0004","90","","103.675","0.002","90","","809.57","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H30 O5 -","- C15 H30 O5 -","- C30 H60 O10 -","2","1","","Li, Yingxin; Zhang, Fengli; Banakar, Shivakumar; Li, Zhiyong","Bortezomib-induced new bergamotene derivatives xylariterpenoids H‒K from sponge-derived fungus Pestalotiopsis maculans 16F-12","RSC Advances","2019","9","2","599","","10.1039/C8RA08209J","","","1.54178","CuKα","","0.0274","0.0258","","","0.0651","0.0663","","","","","","1.034","","","","has coordinates","213003","2020-10-21","18:00:00",""
"7232153","17.5338","0.0008","10.4983","0.0005","28.7697","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13.2 H9.8 I2 N4.6 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0552","0.0424","","","0.1042","0.1122","","","","","","1.081","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232154","4.3229","0.0014","13.047","0.004","29.586","0.009","90.19","0.008","91.77","0.008","95.024","0.008","1661.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9.2 H3.8 I2 N2.6 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1134","0.0976","","","0.1899","0.1958","","","","","","1.207","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232155","4.2425","0.0006","23.537","0.004","24.567","0.004","111.725","0.005","94.131","0.005","93.861","0.005","2261.3","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I2 N3 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1182","0.1002","","","0.2535","0.269","","","","","","1.045","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232156","13.9441","0.0006","35.2209","0.0015","8.2173","0.0003","90","","90.331","0.001","90","","4035.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H0 I2 N2 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0401","0.0354","","","0.083","0.0856","","","","","","1.107","","","","has coordinates,has disorder","223654","2020-10-21","18:00:00",""
"7232157","4.338","0.001","18.327","0.004","18.018","0.004","90","","91.705","0.007","90","","1431.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Cl3 I2 N2 -","- C9 H3 Cl3 I2 N2 -","- C36 H12 Cl12 I8 N8 -","4","1","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1155","0.1024","","","0.2611","0.2683","","","","","","1.294","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232158","10.465","0.002","15.416","0.003","18.321","0.004","90","","103.26","0.03","90","","2876.9","1.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N2 O3 -","- C37 H28 N2 O3 -","- C148 H112 N8 O12 -","4","1","","Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui","Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.","Physical chemistry chemical physics : PCCP","2019","21","6","3218","3226","10.1039/c8cp07127f","","","0.71073","MoKα","","0.0991","0.0705","","","0.1669","0.1854","","","","","","1.087","","","","has coordinates","225327","2020-10-21","18:00:00",""
"7232159","7.777","0.0016","17.853","0.004","12.949","0.003","90","","101.44","0.03","90","","1762.2","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui","Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.","Physical chemistry chemical physics : PCCP","2019","21","6","3218","3226","10.1039/c8cp07127f","","","0.71073","MoKα","","0.0629","0.0441","","","0.1056","0.1167","","","","","","0.967","","","","has coordinates","225327","2020-10-21","18:00:00",""
"7232160","8.1645","0.0016","17.838","0.004","13.102","0.003","90","","104.42","0.03","90","","1848","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui","Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.","Physical chemistry chemical physics : PCCP","2019","21","6","3218","3226","10.1039/c8cp07127f","","","0.71073","MoKα","","0.0809","0.0567","","","0.1294","0.1424","","","","","","1.023","","","","has coordinates","225327","2020-10-21","18:00:00",""
"7232161","16.195","0.00059","9.7552","0.00029","16.7533","0.0008","90","","101.771","0.0015","90","","2591.12","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H54 N4 O7 S2 -","- C62 H54 N4 O7 S2 -","- C124 H108 N8 O14 S4 -","2","0.5","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1966","0.0734","","","0.1328","0.17","","","","","","0.998","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232162","9.6828","0.0002","11.6284","0.0003","11.7511","0.0003","90","","100.038","0.0008","90","","1302.87","0.05","190","2","190","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H28 N2 O3 S -","- C32 H28 N2 O3 S -","- C64 H56 N4 O6 S2 -","2","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.05","0.0393","","","0.084","0.0903","","","","","","1.017","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232163","29.4101","0.001","8.4373","0.0002","30.7626","0.0011","90","","115.777","0.002","90","","6873.9","0.4","190","2","190","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H34 N2 O3 S -","- C35 H34 N2 O3 S -","- C280 H272 N16 O24 S8 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.168","0.0738","","","0.1717","0.2083","","","","","","0.986","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232164","8.2062","0.0002","18.5089","0.0006","24.6576","0.0008","90","","90","","90","","3745.19","0.19","190","2","190","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C192 H152 Cl8 N16 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1556","0.061","","","0.1111","0.1384","","","","","","0.953","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232165","15.3118","0.0003","9.8222","0.0002","26.0811","0.0006","90","","90","","90","","3922.48","0.14","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C168 H168 Br8 N16 O8 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1688","0.0834","","","0.2285","0.2786","","","","","","1.03","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232166","6.3041","0.0016","12.0699","0.0017","14.252","0.003","88.684","0.012","79.885","0.012","89.121","0.014","1067.2","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C50 H42 Cl2 N4 O6 -","2","1","","Chen, Bo; Chu, Wen-Dao; Liu, Quan-Zhong","Formal [4 + 1] cycloaddition of in situ generated 1,2-diaza-1,3-dienes with diazo esters: facile approaches to dihydropyrazoles containing a quaternary center","RSC Advances","2019","9","3","1487","","10.1039/C8RA08909D","","","1.54178","CuKα","","0.0745","0.0582","","","0.1608","0.1693","","","","","","1.119","","","","has coordinates","213042","2020-10-21","18:00:00",""
"7232167","8.3129","0.0008","6.2896","0.0006","12.7052","0.0012","90","","93.007","0.004","90","","663.37","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Ag N2 O6 P2 -","- C10 H11 Ag N2 O6 P2 -","- C20 H22 Ag2 N4 O12 P4 -","2","0.5","","Rendošová, Michaela; Gyepes, Róbert; Almáši, Miroslav; Bártová, Ingrida; Vargová, Zuzana","Silver(i) pyridylphosphonates ‒ synthesis, structure, stability and light-insensitivity investigation","RSC Advances","2019","9","3","1570","","10.1039/C8RA10136A","","","0.71073","MoKα","","0.022","0.0197","","","0.0494","0.0511","","","","","","1.063","","","","has coordinates","213043","2020-10-21","18:00:00",""
"7232168","5.8965","0.0002","31.1708","0.0012","13.785","0.0005","90","","101.007","0.001","90","","2487.05","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Ag7 N4 O12 P3 -","- C15 H12 Ag7 N4 O12 P3 -","- C60 H48 Ag28 N16 O48 P12 -","4","1","","Rendošová, Michaela; Gyepes, Róbert; Almáši, Miroslav; Bártová, Ingrida; Vargová, Zuzana","Silver(i) pyridylphosphonates ‒ synthesis, structure, stability and light-insensitivity investigation","RSC Advances","2019","9","3","1570","","10.1039/C8RA10136A","","","0.71073","MoKα","","0.0388","0.0258","","","0.0414","0.0441","","","","","","1.074","","","","has coordinates","213043","2020-10-21","18:00:00",""
"7232169","12.5982","0.0013","13.295","0.003","13.5974","0.0012","114.779","0.015","99.377","0.009","100.412","0.012","1959.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","1","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1233","0.0632","","","0.0968","0.1329","","","","","","1.023","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232170","27.133","0.002","12.3372","0.0011","15.5056","0.0012","90","","123.224","0.007","90","","4342","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C39 H61.5 Mo12 N6 Na3.5 O66 P8 -","- C26 H33 Mo12 N4 Na3.5 O64 P8 -","- C52 H66 Mo24 N8 Na7 O128 P16 -","2","0.25","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0709","0.0565","","","0.137","0.1506","","","","","","1.049","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232171","14.6598","0.0004","13.3538","0.0004","22.0021","0.0006","90","","103.869","0.003","90","","4181.6","0.2","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C40 H72 Mn5 Mo24 N16 Na4 O143 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0564","0.0455","","","0.0912","0.0974","","","","","","1.231","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232172","13.3983","0.0001","13.3983","0.0001","38.3301","0.0008","90","","90","","90","","6880.81","0.16","295","2","295","2","","","","","","","","8","P 43 2 2","P 4cw 2c","95","","","","- C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C12 H156 Mn10 Mo48 N22 Na18 O290 P32 -","4","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0304","0.0283","","","0.0741","0.0751","","","","","","1.056","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232173","16.333","0.002","21.724","0.003","21.913","0.003","90","","92.836","0.002","90","","7765.6","1.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H80 Mn2 Mo12 N7 Na O68 P8 -","- H14 Mn2 Mo12 Na O63 P8 -","- H56 Mn8 Mo48 Na4 O252 P32 -","4","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0411","0.0298","","","0.0589","0.0623","","","","","","1.02","","","","has coordinates","223596","2020-10-21","18:00:00",""
"7232174","13.262","0.003","13.36","0.003","22.492","0.005","99.302","0.003","90.283","0.003","103.365","0.003","3822.5","1.5","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C13 H40 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C26 H80 Cu0.5 Mo24 N13 Na9.5 O140 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1819","0.0743","","","0.1256","0.1577","","","","","","1.034","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232175","10.8693","0.0008","19.0667","0.0016","11.8343","0.0009","90","","102.11","0.002","90","","2398","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O3 -","- C27 H31 N O3 -","- C108 H124 N4 O12 -","4","1","","Chen, Ke; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Metal-free synthesis of triarylated (Z)-nitrones via H2O-mediated 1,3-dipolar transfer under aerobic conditions","Green Chemistry","2019","21","3","675","","10.1039/C8GC03593H","","","0.71073","MoKα","","0.0863","0.0432","","","0.0886","0.0986","","","","","","1.021","","","","has coordinates","224638","2020-10-21","18:00:00",""
"7232176","8.7151","0.0013","13.061","0.002","27.254","0.004","90","","94.409","0.002","90","","3093.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 F6 N5 O P Ru -","- C31 H26 Cl2 F6 N5 O P Ru -","- C124 H104 Cl8 F24 N20 O4 P4 Ru4 -","4","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1963","0.0704","","","0.1318","0.1879","","","","","","0.928","","","","has coordinates,has disorder","213093","2020-10-21","18:00:00",""
"7232177","20.524","0.004","8.2372","0.0014","25.346","0.005","90","","137.909","0.003","90","","2872.3","0.9","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl2 F6 N5 P Ru -","- C29 H20 Cl2 F6 N5 P Ru -","- C116 H80 Cl8 F24 N20 P4 Ru4 -","4","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1348","0.0483","","","0.0742","0.108","","","","","","0.9724","","","","has coordinates,has disorder","213093","2020-10-21","18:00:00",""
"7232178","8.599","0.003","8.943","0.003","20.08","0.006","77.361","0.003","79.622","0.003","89.26","0.004","1481.5","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl N7 O9 Ru -","- C29 H22 Cl N7 O9 Ru -","- C58 H44 Cl2 N14 O18 Ru2 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1053","0.0707","","","0.183","0.2038","","","","","","1.073","","","","has coordinates,has disorder","213093","2020-10-21","18:00:00",""
"7232179","16.77","0.006","17.343","0.007","11.916","0.005","90","","101.073","0.006","90","","3401","2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl F6 N5 O8 Ru S2 -","- C31 H24 Cl F6 N5 O8 Ru S2 -","- C124 H96 Cl4 F24 N20 O32 Ru4 S8 -","4","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.257","0.0843","","","0.1255","0.1839","","","","","","0.93","","","","has coordinates","213093","2020-10-21","18:00:00",""
"7232180","9.01","0.002","11.91","0.003","18.237","0.006","102.237","0.005","97.412","0.005","111.015","0.003","1739.7","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H26 Cl F12 N5 O3 P2 Ru -","- C29 H24 Cl F12 N5 O3 P2 Ru -","- C58 H48 Cl2 F24 N10 O6 P4 Ru2 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1356","0.0628","","","0.1225","0.153","","","","","","1.0147","","","","has coordinates","213093","2020-10-21","18:00:00",""
"7232181","7.7286","0.0012","12.0747","0.0018","14.592","0.002","81.76","0.002","89.511","0.002","77.947","0.002","1317.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 B Cl2 F4 N5 Ru -","- C29 H20 B Cl2 F4 N5 Ru -","- C58 H40 B2 Cl4 F8 N10 Ru2 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.0479","0.0312","","","0.0609","0.0728","","","","","","1.0393","","","","has coordinates","213093","2020-10-21","18:00:00",""
"7232182","37.4012","0.0011","23.0052","0.0007","7.1553","0.0002","90","","90","","90","","6156.6","0.3","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","MIL53(In)_OH","","","- C8 H4 In O8 -","- C8 H4 In O8 -","- C128 H64 In16 O128 -","16","1","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0382","0.0361","","","0.1388","0.1412","","","","","","1.071","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232183","17.4254","0.0009","7.2516","0.0003","13.3713","0.0006","90","","90","","90","","1689.62","0.14","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","MIL53(In)_Br","","","- C8 Br In O5 -","- C8 Br1.04 In O5 -","- C32 Br4.16 In4 O20 -","4","0.25","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0486","0.0435","","","0.1183","0.1235","","","","","","1.058","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232184","18.629","0.0009","7.3019","0.0004","11.4527","0.0006","90","","90","","90","","1557.88","0.14","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","MIL53(In)_NO2","","","- C8 In N O9 -","- C8 In N O9 -","- C32 In4 N4 O36 -","4","0.25","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0444","0.0382","","","0.1493","0.1566","","","","","","1.042","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232185","10.9801","0.0009","10.9801","0.0009","38.5568","0.0012","90","","90","","120","","4025.7","0.5","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca6.983 O28 Pb3.517 V7 -","- Ca6.982 O28 Pb3.5185 V7 -","- Ca41.892 O168 Pb21.111 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71069","MoKα","","0.0393","0.0347","","","0.0456","0.047","","","","1.02","1.02","1.01","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232186","11.0594","0.0011","11.0594","0.0011","38.8813","0.0014","90","","90","","120","","4118.5","0.6","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca5.606 O28 Pb4.894 V7 -","- Ca5.605 O28 Pb4.895 V7 -","- Ca33.63 O168 Pb29.37 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0488","0.0378","","","0.0472","0.0497","","","","1.09","1.09","1.04","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232187","10.922","0.0002","10.922","0.0002","38.3133","0.0009","90","","90","","120","","3958.08","0.14","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca8.649 O28 Pb1.851 V7 -","- Ca8.6491 O28 Pb1.851 V7 -","- Ca51.8946 O168 Pb11.106 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0794","0.0484","","","0.0368","0.0455","","","","1.04","1.04","1.03","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232188","10.1313","0.0017","10.1313","0.0017","10.1351","0.0017","90","","90","","120","","900.9","0.3","300","","300","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H2 Br2 Cl4 -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.7596","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232189","10.14","0.003","31.233","0.009","10.122","0.003","90","","90.21","0.02","90","","3205.6","1.6","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H Br Cl2 -","- C61 H Br Cl2 -","- C244 H4 Br4 Cl8 -","4","0.5","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232190","15.071","0.003","17.319","0.004","18.468","0.004","90","","96.99","0.03","90","","4784.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N14 -","- C56 H42 Cu2 N14 -","- C224 H168 Cu8 N56 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0872","0.0458","","","0.1051","0.1265","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232191","11.089","0.007","8.79","0.005","15.236","0.009","90","","102.882","0.011","90","","1447.7","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N3 -","- C7 H5 Cu N3 -","- C56 H40 Cu8 N24 -","8","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0381","0.0291","","","0.0761","0.0802","","","","","","1.064","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232192","8.8138","0.0018","15.406","0.003","12.203","0.002","90","","94.92","0.03","90","","1650.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.039","0.0295","","","0.0754","0.08","","","","","","1.06","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232193","8.0872","0.0005","10.2331","0.0006","23.4179","0.0013","88.45","0.001","80.956","0.001","86.568","0.001","1910.17","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cu3 N16 -","- C34 H42 Cu3 N16 -","- C68 H84 Cu6 N32 -","2","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0766","0.0447","","","0.097","0.1096","","","","","","1.012","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232194","13.0156","0.0006","14.3792","0.0007","12.3581","0.0006","90","","90","","90","","2312.87","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16.62 H18 Cu4 N10.38 -","- C16.62 H18 Cu4 N10.38 -","- C66.48 H72 Cu16 N41.52 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.059","0.0372","","","0.0793","0.0881","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232195","6.4341","0.0011","4.6151","0.0003","10.5313","0.0007","90","","100.73","0.01","90","","307.25","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0419","0.0339","","","0.0742","0.0769","","","","","","1.174","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232196","6.4003","0.0011","4.5981","0.0004","10.4452","0.0015","90","","100.748","0.014","90","","302","0.07","295.01","","295.01","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0334","0.0276","","","0.0628","0.0644","","","","","","1.039","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232197","6.4342","0.001","4.6146","0.0004","10.5397","0.001","90","","100.667","0.009","90","","307.53","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0559","0.041","","","0.0915","0.1066","","","","","","1.108","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232198","6.4551","0.0005","4.674","0.0004","10.547","0.0009","90","","100.754","0.003","90","","312.63","0.04","100","2","99.82","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","","1.54178","CuKα","","0.0297","0.0287","","","0.0727","0.073","","","","","","1.106","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232199","6.5086","0.0005","4.6661","0.0004","10.7596","0.0008","90","","100.685","0.001","90","","321.1","0.04","295","","295.03","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0458","0.0408","","","0.1107","0.1154","","","","","","1.046","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232200","9.594","0.0002","11.0586","0.0003","21.6374","0.0005","90","","93.293","0.002","90","","2291.86","0.09","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((5-chloro-1H-indol-3-yl)(4-chlorophenyl)methyl)diphenylphosphine oxide","","- C27 H20 Cl2 N O P -","- C27 H20 Cl2 N O P -","- C108 H80 Cl8 N4 O4 P4 -","4","1","","Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions","Green Chemistry","2019","21","4","792","","10.1039/C8GC03530J","","x-ray","1.54184","CuKα","","0.053","0.0484","","","0.1261","0.1323","","","","","","1.04","","","","has coordinates","224606","2020-10-21","18:00:00",""
"7232201","8.6081","0.0001","16.0745","0.0002","18.0657","0.0002","90","","99.465","0.001","90","","2465.74","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5-chloro-3-(1-phenylbutyl)-1H-indol-2-yl)diphenylphosphine oxide","","- C30 H27 Cl N O P -","- C30 H27 Cl N O P -","- C120 H108 Cl4 N4 O4 P4 -","4","1","","Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions","Green Chemistry","2019","21","4","792","","10.1039/C8GC03530J","","x-ray","1.54184","CuKα","","0.0817","0.0738","","","0.1859","0.2001","","","","","","1.0309","","","","has coordinates","224606","2020-10-21","18:00:00",""
"7232202","10.672","0.003","10.887","0.003","25.613","0.002","94.871","0.012","97.871","0.011","94.413","0.015","2925.3","1.2","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C84 H88 Ba2 Cl16 Fe4 O12 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.134","0.0763","","","0.1412","0.1668","","","","","","1.115","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232203","7.5364","0.0007","9.164","0.0009","24.2084","0.0018","90","","91.334","0.004","90","","1671.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NG18_LT","","","- C14 H14 Fe K O S4 -","- C14 H14 Fe K O S4 -","- C56 H56 Fe4 K4 O4 S16 -","4","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.0329","0.0291","","","0.0629","0.0643","","","","","","1.043","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232204","10.9301","0.0005","13.295","0.0008","14.7803","0.0008","63.606","0.002","76.591","0.002","69.262","0.002","1792.14","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","","","0.0487","0.0345","","","0.1033","0.1262","","","","","","1.07","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232205","12.7382","0.0014","13.0035","0.0011","21.73","0.004","86.715","0.012","89.542","0.012","63.187","0.012","3206.5","0.8","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C90 H112 Ca2 Cl16 Fe4 O20 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1119","0.0656","","","0.1477","0.1779","","","","","","1.084","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232206","10.6545","0.0003","11.3055","0.0003","14.3597","0.0004","93.025","0.002","111.05","0.002","98.246","0.002","1587.36","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.0829","0.0631","","","0.2013","0.2165","","","","","","1.096","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232207","13.7557","0.0004","13.7884","0.0004","14.2273","0.0004","94.417","0.002","112.471","0.001","105.827","0.001","2348.67","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","DH194_transp_200K","","","- C34 H37 Cl7 K O6 S6 Zn3 -","- C34 H37 Cl7 K O6 S6 Zn3 -","- C68 H74 Cl14 K2 O12 S12 Zn6 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.104","0.0528","","","0.1436","0.1798","","","","","","1.08","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232208","9.968","0.0012","13.477","0.001","14.244","0.0009","108.073","0.006","109.857","0.007","93.674","0.008","1679.9","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1039","0.0548","","","0.0991","0.1153","","","","","","1.071","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232209","8.3674","0.0003","9.8399","0.0005","10.6622","0.0005","93.296","0.004","93.021","0.004","101.21","0.004","857.86","0.07","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N3 O Se -","- C20 H19 N3 O Se -","- C40 H38 N6 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0377","0.0293","","","0.0683","0.0721","","","","","","0.992","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232210","10.1249","0.0002","15.9246","0.0003","11.466","0.0002","90","","106.572","0.002","90","","1771.93","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O Se -","- C20 H23 N3 O Se -","- C80 H92 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0308","0.0258","","","0.0626","0.0657","","","","","","1.056","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232211","10.161","0.0002","16.0506","0.0003","11.43","0.0002","90","","104.622","0.002","90","","1803.75","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O Se -","- C21 H24 N2 O Se -","- C84 H96 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0378","0.0329","","","0.0819","0.0849","","","","","","1.028","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232212","17.371","0.004","5.308","0.0011","11.633","0.002","90","","90","","90","","1072.6","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O Se -","- C14 H8 N2 O Se -","- C56 H32 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","","0.71092","Synchrotron","","0.0279","0.0271","","","0.0746","0.0751","","","","","","1.129","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232213","11.7848","0.0003","4.5869","0.0001","21.3572","0.0005","90","","90","","90","","1154.48","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0452","0.0331","","","0.0761","0.0793","","","","","","1.063","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232214","20.7476","0.0009","4.9407","0.0002","17.6687","0.0007","90","","107.376","0.004","90","","1728.53","0.13","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O Se -","- C19 H13 N3 O Se -","- C76 H52 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0422","0.0346","","","0.0908","0.0955","","","","","","1.054","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232215","9.6002","0.0004","10.2109","0.0004","19.838","0.0007","78.71","0.003","84.901","0.003","77.458","0.004","1859.33","0.13","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C84 H84 N12 O4 Se4 -","4","2","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0903","0.0448","","","0.0903","0.112","","","","","","1.044","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232216","8.8093","0.0002","10.7445","0.0002","10.9812","0.0002","111.687","0.002","109.283","0.002","96.631","0.002","877.57","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O Se -","- C21 H18 N4 O Se -","- C42 H36 N8 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0567","0.0358","","","0.0823","0.0872","","","","","","1.07","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232217","9.6254","0.0002","10.2486","0.0002","10.6505","0.0002","83.66","0.002","76.398","0.002","78.423","0.002","998.19","0.04","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N3 O2 Se -","- C21 H23 N3 O2 Se -","- C42 H46 N6 O4 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.116","0.0456","","","0.1004","0.1219","","","","","","1","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232218","18.0059","0.0011","9.9966","0.0006","32.4734","0.0019","90","","100.57","0.003","90","","5746","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C60-Ph-OMe-pyridine","","","- C92 H42 N2 O2 -","- C92 H42 N2 O2 -","- C368 H168 N8 O8 -","4","1","","Ai, Min; Li, Jie; Ji, Zijuan; Wang, Chuanhui; Li, Rui; Dai, Wei; Chen, Muqing","Synthesis, crystal structure, self-assembly of C60 derivatives bearing rigid pyridine substituents","RSC Advances","2019","9","6","3050","","10.1039/C8RA09893J","","","1.0331","synchrotron","","0.1756","0.1361","","","0.3244","0.3484","","","","","","1.093","","","","has coordinates,has disorder","213280","2020-10-21","18:00:00",""
"7232219","12.2247","0.0005","17.6302","0.0007","16.1153","0.0007","90","","98.108","0.001","90","","3438.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 N9 O7 Tb -","- C40 H22 N9 O7 Tb -","- C160 H88 N36 O28 Tb4 -","4","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0493","0.0316","","","0.063","0.0694","","","","","","1.017","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232220","10.5943","0.0018","13.708","0.002","14.497","0.002","78.663","0.003","80.397","0.003","68.379","0.003","1908.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Eu N9 O6 -","- C46 H26 Eu N9 O6 -","- C92 H52 Eu2 N18 O12 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0433","0.0348","","","0.0749","0.0789","","","","","","1.067","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232221","9.6004","0.0005","11.0929","0.0006","12.7617","0.0007","68.409","0.001","71.453","0.001","74.647","0.001","1181.14","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N4 O6 Tb -","- C26 H15 N4 O6 Tb -","- C52 H30 N8 O12 Tb2 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.026","0.0227","","","0.0525","0.0543","","","","","","1.059","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232222","9.434","0.004","9.625","0.003","12.739","0.004","107.69","0.04","92.975","0.007","100.613","0.009","1076","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Eu N4 O6 -","- C24 H15 Eu N4 O6 -","- C48 H30 Eu2 N8 O12 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0795","0.055","","","0.0955","0.1069","","","","","","1.019","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232223","10.6094","0.0006","13.7009","0.0007","14.5285","0.0007","78.738","0.001","80.42","0.001","68.369","0.001","1914.96","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 N9 O6 Sm -","- C46 H26 N9 O6 Sm -","- C92 H52 N18 O12 Sm2 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0511","0.0391","","","0.0768","0.0824","","","","","","1.03","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232224","9.425","0.003","9.631","0.003","12.716","0.003","107.168","0.004","93.018","0.005","100.793","0.004","1076.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 N4 O6 Tb -","- C24 H15 N4 O6 Tb -","- C48 H30 N8 O12 Tb2 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0654","0.0509","","","0.1121","0.1213","","","","","","1.044","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232225","7.2451","0.001","7.8674","0.001","16.65","0.002","87.647","0.009","86.278","0.009","83.882","0.009","941.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","2","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.073","0.076","","","","","","1.055","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232226","7.7319","0.0005","9.613","0.0007","13.2774","0.0009","90","","96.761","0.002","90","","980","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0238","0.0226","","","0.0574","0.0585","","","","","","1.082","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232227","7.953","0.007","9.744","0.008","13.366","0.011","90","","97.174","0.01","90","","1027.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,4-Dibromo-2-oxo-2,5-dihydrofuran-5-ylsulfonyl)ethanoic acid","","- C6 H4 Br2 O6 S -","- C6 H4 Br2 O6 S -","- C24 H16 Br8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0432","0.0307","","","0.0659","0.0704","","","","","","1.022","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232228","15.0421","0.0005","11.2751","0.0004","15.5078","0.0005","90","","104.491","0.002","90","","2546.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0524","0.0369","","","0.0954","0.1035","","","","","","1.056","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232229","23.606","0.002","8.1378","0.0008","14.5476","0.0014","90","","115.51","0.007","90","","2522.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0731","0.0505","","","0.0991","0.1091","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232230","13.169","0.0012","4.4889","0.0004","20.4829","0.0018","90","","90","","90","","1210.83","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0912","0.0505","","","0.1119","0.1284","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232231","6.5101","0.0011","9.753","0.0016","10.3547","0.0019","81.848","0.012","72.076","0.013","81.359","0.013","615.24","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C20 H24 N8 O4 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0625","0.0428","","","0.1059","0.1161","","","","","","1.071","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232232","6.5899","0.0013","15.349","0.003","15.887","0.003","102.55","0.03","92.36","0.03","92.73","0.03","1564.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C30 H42 N4 O7 S -","- C30 H42 N4 O7 S -","- C60 H84 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.083","0.0516","","","0.1076","0.1237","","","","","","0.977","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232233","6.5593","0.0013","16.171","0.003","16.454","0.003","74.56","0.03","89.11","0.03","86.78","0.03","1679.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C33 H48 N4 O7 S -","- C33 H48 N4 O7 S -","- C66 H96 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1237","0.0835","","","0.1953","0.2132","","","","","","0.94","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232234","6.5017","0.0013","16.269","0.003","16.495","0.003","105.54","0.03","90.98","0.03","93.01","0.03","1677.8","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C32 H46 N4 O7 S -","- C32 H46 N4 O7 S -","- C64 H92 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1093","0.0694","","","0.1415","0.1617","","","","","","1.048","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232235","6.3818","0.0001","11.7984","0.0002","22.1415","0.0003","88.772","0.001","84.416","0.001","78.101","0.001","1623.58","0.04","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C31 H44 N4 O7 S -","- C31 H44 N4 O7 S -","- C62 H88 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","x-ray","1.54184","CuKα","","0.0504","0.0468","","","0.1272","0.1302","","","","","","1.063","","","","has coordinates,has disorder","223486","2020-10-21","18:00:00",""
"7232236","13.1788","0.0009","21.4947","0.0016","22.2362","0.0018","90","","106.952","0.002","90","","6025.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetramesityl-2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinato zinc(II)","","- C76 H71 N7 Zn -","- C76 H71 N7 Zn -","- C304 H284 N28 Zn4 -","4","1","","Abdulaeva, Inna A.; Birin, Kirill P.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Lyssenko, Konstantin A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Bessmertnykh-Lemeune, Alla","Imidazoporphyrins as supramolecular tectons: synthesis and self-assembly of zinc 2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinate","CrystEngComm","2019","21","9","1488","","10.1039/C8CE01992D","","","0.71073","MoKα","","0.1195","0.0599","","","0.1342","0.1594","","","","","","1.015","","","","has coordinates","223660","2020-10-21","18:00:00",""
"7232237","14.259","0.002","13.0995","0.0013","10.2027","0.0014","90","","123.36","0.02","90","","1591.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B12 H2 Li2 Na2 O21 -","- B12 H2 Li2 Na2 O21 -","- B48 H8 Li8 Na8 O84 -","4","0.5","","Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu","Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units","CrystEngComm","2019","21","8","1262","","10.1039/C8CE02175A","","","0.71073","MoKα","","0.0389","0.0298","","","0.0765","0.0805","","","","","","1.047","","","","has coordinates","223523","2020-10-21","18:00:00",""
"7232238","11.624","0.0005","14.864","0.0009","22.186","0.0016","97.698","0.005","92.368","0.005","98.312","0.004","3751.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Resorcin[4]arene-Tb","1","","- C66 H94 N O33 Tb2 -","- C66 H74 N O33 Tb2 -","- C132 H148 N2 O66 Tb4 -","2","1","","Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si","Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties","RSC Advances","2019","9","7","3647","","10.1039/C8RA09777A","","","0.71069","MoKα","","0.2009","0.1461","","","0.2933","0.3284","","","","","","1.107","","","","has coordinates","213365","2020-10-21","18:00:00",""
"7232239","11.573","0.005","14.796","0.005","22.058","0.005","97.762","0.005","92.518","0.005","98.243","0.005","3696","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Resorcin[4]arene-Gd","3","","- C66 H94 Gd2 N O33 -","- C66 H77 Gd2 N O33 -","- C132 H154 Gd4 N2 O66 -","2","1","","Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si","Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties","RSC Advances","2019","9","7","3647","","10.1039/C8RA09777A","","","0.71069","MoKα","","0.2834","0.1594","","","0.2768","0.3434","","","","","","1.073","","","","has coordinates","213365","2020-10-21","18:00:00",""
"7232240","11.603","0.0007","14.799","0.001","22.027","0.0014","97.853","0.006","92.45","0.005","98.272","0.006","3700.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Resorcin[4]arene-Eu","2","","- C66 H94 Eu2 N O33 -","- C66 H79 Eu2 N O33 -","- C132 H158 Eu4 N2 O66 -","2","1","","Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si","Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties","RSC Advances","2019","9","7","3647","","10.1039/C8RA09777A","","","0.71069","MoKα","","0.2251","0.139","","","0.2549","0.2958","","","","","","1.113","","","","has coordinates","213365","2020-10-21","18:00:00",""
"7232241","10.1382","0.0011","12.7716","0.0014","13.5128","0.0014","79.967","0.002","89.142","0.002","76.356","0.002","1673.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N10 O7 -","- C32 H21 N10 O7 -","- C64 H42 N20 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.0889","0.0719","","","0.2069","0.2265","","","","","","1.086","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232242","11.9851","0.0017","12.2632","0.0017","13.7369","0.0019","94.016","0.002","112.728","0.002","103.896","0.002","1777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N9 O8 S -","- C33 H21 N9 O8 S -","- C66 H42 N18 O16 S2 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1055","0.0889","","","0.2548","0.2729","","","","","","1.057","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232243","7.4872","0.0006","12.4001","0.001","17.0797","0.0013","109.166","0.002","99.619","0.002","93.273","0.002","1466.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N9 O7 -","- C27 H21 N9 O7 -","- C54 H42 N18 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1057","0.0654","","","0.1759","0.2061","","","","","","1.033","","","","has coordinates,has disorder","223723","2020-10-21","18:00:00",""
"7232244","13.729","0.007","11.895","0.006","16.192","0.008","90","","101.35","0.01","90","","2593","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br2 Cd N2 O6 -","- C26 H24 Br2 Cd N2 O6 -","- C104 H96 Br8 Cd4 N8 O24 -","4","1","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0824","0.0689","","","0.2138","0.2257","","","","","","1.043","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232245","21.974","0.006","10.015","0.002","13.444","0.004","90","","115.916","0.008","90","","2661.1","1.2","287","2","287","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","0.5","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0755","0.056","","","0.1294","0.1421","","","","","","1.15","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232246","11.974","0.002","14.046","0.003","15.893","0.003","90","","99.78","0.03","90","","2634.1","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Mn N6 Se8 Sn3 -","- C6 H24 Mn N6 Se8 Sn3 -","- C24 H96 Mn4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0432","0.0304","","","0.0795","0.0809","","","","","","1.027","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232247","11.949","0.002","14.06","0.003","15.794","0.003","90","","100.39","0.03","90","","2609.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N6 Se8 Sn3 Zn -","- C6 H24 N6 Se8 Sn3 Zn -","- C24 H96 N24 Se32 Sn12 Zn4 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0538","0.0374","","","0.0781","0.0907","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232248","11.95","0.002","14.083","0.003","17.995","0.006","90","","120.25","0.02","90","","2616","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Fe N6 Se8 Sn3 -","- C6 H24 Fe N6 Se8 Sn3 -","- C24 H96 Fe4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0618","0.048","","","0.0862","0.1094","","","","","","1.111","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232249","10.104","0.002","12.048","0.002","12.107","0.002","89.524","0.014","75.445","0.017","75.777","0.017","1380.5","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Ni Se12 Sn -","- C6 H24 N6 Ni Se12 Sn -","- C12 H48 N12 Ni2 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0628","0.0471","","","0.0732","0.0929","","","","","","1.002","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232250","14.869","0.003","11.888","0.002","13.86","0.003","90","","90","","90","","2449.9","0.8","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H24 N6 Ni Se7.5 Sn3 -","- C6 H16 N6 Ni Se7.5 Sn3 -","- C24 H64 N24 Ni4 Se30 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0678","0.0434","","","0.0842","0.1012","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232251","10.222","0.002","12.175","0.002","12.394","0.003","89.37","0.03","74.97","0.03","75.66","0.03","1440.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Mn N6 Se12 Sn -","- C6 H24 Mn N6 Se12 Sn -","- C12 H48 Mn2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0549","0.0411","","","0.0884","0.0921","","","","","","1.106","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232252","10.223","0.002","12.106","0.002","12.263","0.003","89.4","0.03","89.4","0.03","75.45","0.03","1468.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Fe N6 Se12 Sn -","- C6 H12 Fe N6 Se12 Sn -","- C12 H24 Fe2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.063","0.0541","","","0.0854","0.1093","","","","","","1.013","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232253","10.156","0.002","12.096","0.002","12.109","0.002","89.64","0.03","75.49","0.03","75.87","0.03","1394.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Se12 Sn Zn -","- C6 H24 N6 Se12 Sn Zn -","- C12 H48 N12 Se24 Sn2 Zn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0612","0.0497","","","0.0964","0.1106","","","","","","1.05","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232254","12.0764","0.0017","9.6715","0.0015","20.657","0.004","90","","92.155","0.005","90","","2411","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Ni O4 -","- C26 H28 N2 Ni O4 -","- C104 H112 N8 Ni4 O16 -","4","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0928","0.0438","","","0.072","0.0868","","","","","","1.001","","","","has coordinates","213384","2020-10-21","18:00:00",""
"7232255","10.2574","0.0008","8.8952","0.0007","23.418","0.002","90","","95.19","0.003","90","","2127.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 Ni O6 -","- C22 H24 N2 Ni O6 -","- C88 H96 N8 Ni4 O24 -","4","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0548","0.0324","","","0.0643","0.0714","","","","","","1.001","","","","has coordinates","213384","2020-10-21","18:00:00",""
"7232256","9.5476","0.001","10.5561","0.0012","14.4705","0.0016","74.72","0.003","70.961","0.003","70.689","0.003","1281.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 Ni O8 -","- C26 H26 N4 Ni O8 -","- C52 H52 N8 Ni2 O16 -","2","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0419","0.0301","","","0.0681","0.0733","","","","","","1.024","","","","has coordinates","213384","2020-10-21","18:00:00",""
"7232257","11.1193","0.0004","18.3316","0.0008","19.041","0.0008","90","","90","","90","","3881.2","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 F6 N2 Ni O4 -","- C16 H18 F6 N2 Ni O4 -","- C128 H144 F48 N16 Ni8 O32 -","8","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0735","0.0386","","","0.0679","0.0789","","","","","","0.993","","","","has coordinates,has disorder","213384","2020-10-21","18:00:00",""
"7232258","6.9179","0.0006","9.6038","0.001","20.21","0.002","103.14","0.003","94.606","0.003","98.49","0.003","1284.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Ni O4 -","- C28 H26 N4 Ni O4 -","- C56 H52 N8 Ni2 O8 -","2","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0448","0.0305","","","0.064","0.0692","","","","","","1.024","","","","has coordinates","213384","2020-10-21","18:00:00",""
"7232259","9.8995","0.0005","14.7668","0.0008","16.2988","0.0009","90","","104.652","0.002","90","","2305.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 Ni O4 S2 -","- C22 H24 N2 Ni O4 S2 -","- C88 H96 N8 Ni4 O16 S8 -","4","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0392","0.0264","","","0.0607","0.0667","","","","","","1.052","","","","has coordinates,has disorder","213384","2020-10-21","18:00:00",""
"7232260","15.4162","0.0004","16.3872","0.0006","21.6032","0.0006","90","","96.815","0.003","90","","5419","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 O P4 Pt2 -","- C64 H58 O P4 Pt2 -","- C256 H232 O4 P16 Pt8 -","4","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.1414","0.0432","","","0.0642","0.0709","","","","","","0.622","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232261","8.4528","0.0009","5.4962","0.0009","14.4612","0.0018","90","","99.637","0.011","90","","662.36","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B2 N2 O2 -","- C14 H14 B2 N2 O2 -","- C28 H28 B4 N4 O4 -","2","0.5","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","1.54184","CuKα","","0.0554","0.0494","","","0.1411","0.1474","","","","","","1.081","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232262","12.6111","0.0006","14.3974","0.0007","14.9326","0.0007","68.803","0.005","66.072","0.005","88.19","0.004","2289.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 B2 O5 P2 Pt -","- C50 H58 B2 O5 P2 Pt -","- C100 H116 B4 O10 P4 Pt2 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.036","0.029","","","0.061","0.0623","","","","","","1.004","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232263","13.126","0.0003","12.8989","0.0003","29.1381","0.0006","90","","100.612","0.002","90","","4849.02","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 B2 N2 O3.5 P2 Pt -","- C52 H64 B2 N2 O3.5 P2 Pt -","- C208 H256 B8 N8 O14 P8 Pt4 -","4","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0795","0.0356","","","0.0473","0.05","","","","","","0.786","","","","has coordinates,has disorder","213400","2020-10-21","18:00:00",""
"7232264","8.3489","0.0005","10.4195","0.0006","15.5364","0.0008","100.74","0.005","99.516","0.005","101.387","0.005","1272.74","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 B2 N2 O2 -","- C28 H32 B2 N2 O2 -","- C56 H64 B4 N4 O4 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0814","0.0523","","","0.1109","0.1244","","","","","","1.023","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232265","22.1168","0.001","17.9826","0.0008","17.9976","0.001","90","","90","","90","","7158","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H81 O2 P5 Pt3 -","- C86 H81 O2 P5 Pt3 -","- C344 H324 O8 P20 Pt12 -","4","0.5","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0844","0.0441","","","0.0903","0.1045","","","","","","1.006","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232266","13.4322","0.0003","13.6477","0.0004","14.5369","0.0004","70.017","0.002","82.459","0.002","60.926","0.003","2186.9","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 B2 N2 O2 P2 Pt -","- C50 H44 B2 N2 O2 P2 Pt -","- C100 H88 B4 N4 O4 P4 Pt2 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0253","0.0195","","","0.0416","0.0444","","","","","","1.12","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232267","9.9026","0.0005","11.855","0.0005","21.5121","0.0009","94.47","0.003","96.674","0.004","114.62","0.004","2257.84","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H50 B2 N2 O2 P2 Pt -","- C52 H50 B2 N2 O2 P2 Pt -","- C104 H100 B4 N4 O4 P4 Pt2 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0207","0.0189","","","0.0379","0.0385","","","","","","1.095","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232268","18.1455","0.0003","14.2463","0.0003","33.2215","0.0007","90","","90","","90","","8588","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H52 B2 O4 P2 Pt -","- C47 H52 B2 O4 P2 Pt -","- C376 H416 B16 O32 P16 Pt8 -","8","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0374","0.0289","","","0.0495","0.0516","","","","","","1.234","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232269","13.1742","0.0005","15.301","0.0005","24.3714","0.0013","73.469","0.004","89.111","0.004","87.082","0.003","4703.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 B2 O4 P2 Pt -","- C54 H52 B2 O4 P2 Pt -","- C216 H208 B8 O16 P8 Pt4 -","4","2","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0779","0.0393","","","0.072","0.0838","","","","","","1.039","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232270","22.1926","0.0003","10.46771","0.00015","20.674","0.0003","90","","105.849","0.0016","90","","4620.12","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 B2 N2 O3 P2 Pt -","- C54 H52 B2 N2 O3 P2 Pt -","- C216 H208 B8 N8 O12 P8 Pt4 -","4","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","x-ray","0.71073","MoKα","","0.036","0.0262","","","0.0541","0.0562","","","","","","1.045","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232271","9.7845","0.0014","5.5978","0.0008","32.633","0.005","90","","95.028","0.01","90","","1780.5","0.5","296","2","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","2","","Li, Ye-Xin; Yu, Zhen-Feng; Zhu, Cun-Zhao; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Three new metastable polymorphs of 1-(9-anthryl)-2-(1-naphthyl)ethylene and the polymorph-dependent phase transition and fluorescence change properties","CrystEngComm","2019","21","9","1512","","10.1039/C8CE01935E","","","1.34139","GaKα","","0.2605","0.0799","","","0.1551","0.2312","","","","","","0.96","","","","has coordinates","223664","2020-10-21","18:00:00",""
"7232272","7.8816","0.0008","10.022","0.001","10.4165","0.0011","106.091","0.004","94.967","0.005","100.946","0.004","767.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-1-(4-methylphenyl)-3-(2-nitrophenyl)-propan-1-one","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0644","0.0488","","","0.1291","0.1403","","","","","","1.065","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232273","7.746","0.002","7.881","0.002","12.467","0.004","92.37","0.004","103.44","0.004","94.136","0.004","737","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one","","- C15 H12 Br N O4 -","- C15 H12 Br N O4 -","- C30 H24 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0537","0.0442","","","0.1129","0.1188","","","","","","1.049","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232274","7.8","0.004","15.919","0.008","10.373","0.005","90","","98.416","0.006","90","","1274.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,3SR)-3-(2-nitrophenyl)-1-phenyl-2,3-epoxypropan-1-one","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0654","0.0404","","","0.0916","0.1047","","","","","","1.025","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232275","14.847","0.011","7.932","0.006","14.919","0.011","90","","118.211","0.009","90","","1548","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,3RS)-2-bromo-1-(4-chlorophenyl)-3-hydroxy-3-(2-nitrophenyl)-propan-1-one","","- C15 H11 Br Cl N O4 -","- C15 H11 Br Cl N O4 -","- C60 H44 Br4 Cl4 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0833","0.0551","","","0.1344","0.1496","","","","","","1.049","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232276","13.8179","0.0005","4.53024","0.00016","16.5413","0.0006","90","","90.096","0.003","90","","1035.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","0.71073","MoKα","","0.0649","0.0628","","","0.176","0.1776","","","","","","1.096","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232277","13.7983","0.0005","4.54885","0.00013","16.5972","0.0005","90","","89.979","0.003","90","","1041.75","0.06","190.03","0.1","190.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0504","0.0488","","","0.1306","0.1335","","","","","","1.014","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232278","13.7588","0.0005","4.52816","0.00013","16.5509","0.0005","90","","89.976","0.003","90","","1031.15","0.06","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1212","0.1225","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232279","13.7503","0.0004","4.52597","0.00012","16.5449","0.0005","90","","89.976","0.003","90","","1029.65","0.05","90.1","0.4","90.1","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1203","0.1213","","","","","","1.041","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232280","13.7934","0.0004","4.54536","0.00012","16.5872","0.0005","90","","89.979","0.003","90","","1039.95","0.05","179.97","0.1","179.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0461","","","0.1236","0.126","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232281","13.7896","0.0005","4.54222","0.00014","16.5883","0.0005","90","","89.976","0.003","90","","1039.01","0.06","170.03","0.1","170.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0483","0.0471","","","0.1249","0.1272","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232282","13.8039","0.0005","4.55103","0.00013","16.6046","0.0005","90","","89.998","0.003","90","","1043.13","0.06","199.97","0.1","199.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.049","0.0474","","","0.1253","0.1287","","","","","","1.035","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232283","13.8211","0.0006","4.55654","0.00016","16.6176","0.0006","90","","89.991","0.004","90","","1046.52","0.07","219.98","0.1","219.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.05","0.0476","","","0.126","0.131","","","","","","1.06","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232284","13.7768","0.0005","4.53799","0.00013","16.578","0.0005","90","","89.98","0.003","90","","1036.44","0.06","150.03","0.1","150.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0489","0.0483","","","0.1271","0.1285","","","","","","1.047","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232285","13.849","0.0006","4.57028","0.00016","16.6432","0.0006","90","","89.994","0.004","90","","1053.41","0.07","270.02","0.1","270.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1411","0.1489","","","","","","1.037","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232286","13.8281","0.0006","4.55914","0.00015","16.6195","0.0006","90","","89.994","0.004","90","","1047.76","0.07","230.01","0.1","230.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1357","0.1412","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232287","13.8405","0.0006","4.56458","0.00016","16.6279","0.0006","90","","89.994","0.004","90","","1050.49","0.07","250.02","0.1","250.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.14","0.1455","","","","","","1.065","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232288","13.7827","0.0005","4.54004","0.00014","16.5843","0.0005","90","","89.974","0.003","90","","1037.75","0.06","159.98","0.1","159.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0485","0.0475","","","0.1261","0.128","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232289","13.8462","0.0007","4.56671","0.00018","16.6389","0.0007","90","","89.992","0.004","90","","1052.1","0.08","259.98","0.1","259.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0508","0.0473","","","0.1264","0.1319","","","","","","1.055","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232290","13.8767","0.001","4.5831","0.0003","16.6695","0.0011","90","","89.995","0.006","90","","1060.15","0.12","310.02","0.1","310.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0706","0.0634","","","0.1729","0.1867","","","","","","1.036","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232291","13.7702","0.0004","4.53628","0.00013","16.5687","0.0005","90","","89.989","0.003","90","","1034.97","0.05","139.99","0.1","139.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1224","0.1235","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232292","13.8115","0.0005","4.55378","0.00014","16.6052","0.0005","90","","89.99","0.003","90","","1044.38","0.06","210.02","0.1","210.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0528","0.0507","","","0.1343","0.1388","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232293","13.7678","0.0004","4.53467","0.00013","16.5652","0.0005","90","","89.975","0.003","90","","1034.21","0.05","130.02","0.1","130.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0474","0.0466","","","0.124","0.1254","","","","","","1.052","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232294","13.8327","0.0007","4.56126","0.00018","16.6307","0.0007","90","","90.013","0.004","90","","1049.31","0.08","239.98","0.1","239.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0501","0.0474","","","0.1245","0.1293","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232295","13.757","0.0005","4.53004","0.00014","16.5589","0.0005","90","","89.965","0.003","90","","1031.95","0.06","110.02","0.12","110.02","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1241","0.1252","","","","","","1.042","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232296","13.7629","0.0005","4.53229","0.00013","16.5628","0.0005","90","","89.962","0.003","90","","1033.15","0.06","122","3","122","3","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1246","0.1263","","","","","","1.038","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232297","13.8533","0.0007","4.57352","0.00016","16.647","0.0007","90","","89.994","0.004","90","","1054.73","0.08","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0526","0.0482","","","0.1271","0.1347","","","","","","1.058","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232298","13.8662","0.0007","4.58166","0.00018","16.6568","0.0007","90","","90.015","0.004","90","","1058.21","0.08","300","0.1","300","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0569","0.0521","","","0.1383","0.1461","","","","","","1.043","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232299","12.1056","0.0008","7.802","0.0005","11.6256","0.0006","90","","97.574","0.005","90","","1088.43","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng","Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions","Green Chemistry","2019","21","5","979","","10.1039/C8GC03839B","","x-ray","0.71073","MoKα","","0.0957","0.0537","","","0.1163","0.1399","","","","","","1.012","","","","has coordinates","224605","2020-10-21","18:00:00",""
"7232300","12.4895","0.0009","7.7667","0.0005","11.5802","0.0006","90","","96.718","0.006","90","","1115.59","0.12","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F N2 O -","- C14 H9 F N2 O -","- C56 H36 F4 N8 O4 -","4","1","","Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng","Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions","Green Chemistry","2019","21","5","979","","10.1039/C8GC03839B","","x-ray","0.71073","MoKα","","0.0998","0.0659","","","0.1548","0.1854","","","","","","1.028","","","","has coordinates","224605","2020-10-21","18:00:00",""
"7232301","5.2763","0.0004","13.5393","0.0009","14.7358","0.0007","90","","90","","90","","1052.69","0.12","293","2","293","2","","","","","","","fungus","3","P 21 21 21","P 2ac 2ab","19","OK-23","OK-23","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.1121","0.0915","","","0.2209","0.2353","","","","","","1.174","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232302","12.5559","0.0004","10.0704","0.0003","12.2295","0.0004","90","","113.522","0.002","90","","1417.84","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","OK-13","OK-13","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.0761","0.0659","","","0.1644","0.1746","","","","","","1.068","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232303","8.9882","0.0003","9.3953","0.0003","10.2162","0.0004","69.449","0.002","70.162","0.002","66.207","0.002","719.21","0.05","296","2","296","2","","","","","","","","3","P 1","P 1","1","OK-21","OK-21","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.0891","0.0603","","","0.1427","0.1583","","","","","","1.018","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232304","12.4892","0.0003","13.7293","0.0004","14.9296","0.0004","90","","90","","90","","2559.95","0.12","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.1066","0.091","","","0.2401","0.2633","","","","","","1.042","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232305","12.036","0.007","12.533","0.007","14.01","0.013","109.014","0.01","97.412","0.01","118.495","0.007","1650","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N2 O5 -","- C31 H22 F6 N2 O5 -","- C62 H44 F12 N4 O10 -","2","1","","Zhang, He; Gao, Xue-Wang; Wang, Li; Zhao, Xinsheng; Li, Qiu-Yan; Wang, Xiao-Jun","Microwave-assisted synthesis of urea-containing zirconium metal‒organic frameworks for heterogeneous catalysis of Henry reactions","CrystEngComm","2019","21","9","1358","","10.1039/C8CE02153H","","","0.71073","MoKα","","0.1343","0.0689","","","0.1676","0.1884","","","","","","0.941","","","","has coordinates,has disorder","223662","2020-10-21","18:00:00",""
"7232306","6.561","0.0003","7.0809","0.0004","12.0629","0.0006","89.067","0.004","87.281","0.003","78.757","0.003","549.03","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C26 H18 N2 O6 -","2","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.0861","0.0683","","","0.2015","0.218","","","","","","1.086","","","","has coordinates","224604","2020-10-21","18:00:00",""
"7232307","6.7109","0.0007","9.819","0.0013","12.7318","0.0014","75.919","0.008","82.43","0.009","80.639","0.009","799.18","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F3 N O3 -","- C18 H12 F3 N O3 -","- C36 H24 F6 N2 O6 -","2","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.1175","0.0621","","","0.1651","0.2018","","","","","","1.039","","","","has coordinates","224604","2020-10-21","18:00:00",""
"7232308","6.04","0.002","19.12","0.007","26.355","0.009","90","","90","","90","","3043.6","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.1022","0.0548","","","0.132","0.1544","","","","","","1.038","","","","has coordinates","224604","2020-10-21","18:00:00",""
"7232309","14.7342","0.0005","12.3434","0.0004","25.1181","0.0009","90","","103.275","0.001","90","","4446.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co5 N10 O28 -","- C90 H92 Co5 N10 O28 -","- C180 H184 Co10 N20 O56 -","2","0.5","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0538","0.0357","","","0.0856","0.0941","","","","","","1.026","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232310","10.6338","0.0004","22.9546","0.0009","12.9795","0.0004","90","","96.78","0.001","90","","3146.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H68 Co2 N8 O13 -","- C68 H68 Co2 N8 O13 -","- C136 H136 Co4 N16 O26 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0553","0.0389","","","0.0961","0.1049","","","","","","0.986","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232311","10.8175","0.0005","13.0914","0.0006","22.9369","0.001","96.939","0.002","99.947","0.002","100.57","0.002","3105.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Co2 N6 O8 -","- C60 H44 Co2 N6 O8 -","- C120 H88 Co4 N12 O16 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0984","0.0556","","","0.147","0.1647","","","","","","1.032","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232312","12.7168","0.0014","6.1962","0.0005","9.641","0.0011","90","","91.74","0.01","90","","759.32","0.14","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H14 Br N2 O3 V -","- C15 H14 Br N2 O3 V -","- C30 H28 Br2 N4 O6 V2 -","2","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0693","0.0609","","","0.1345","0.1446","","","","","","1.07","","","","has coordinates","213526","2020-10-21","18:00:00",""
"7232313","14.1152","0.0007","6.9353","0.0003","15.1466","0.0007","90","","106.842","0.005","90","","1419.15","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cl N2 O3 V -","- C13 H18 Cl N2 O3 V -","- C52 H72 Cl4 N8 O12 V4 -","4","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0464","0.0377","","","0.0911","0.0947","","","","","","1.068","","","","has coordinates","213526","2020-10-21","18:00:00",""
"7232314","8.9266","0.0004","6.9648","0.0003","21.9606","0.0012","90","","96.547","0.004","90","","1356.43","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N4 O8 V2 -","- C24 H38 N4 O8 V2 -","- C48 H76 N8 O16 V4 -","2","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0604","0.0476","","","0.1019","0.1072","","","","","","1.031","","","","has coordinates","213526","2020-10-21","18:00:00",""
"7232315","22.194","0.002","7.5879","0.0007","15.5112","0.0012","90","","97.479","0.01","90","","2590","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H28 Cl2 N4 O6 V2 -","- C22 H28 Cl2 N4 O6 V2 -","- C88 H112 Cl8 N16 O24 V8 -","4","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0595","0.0443","","","0.1015","0.1075","","","","","","1.06","","","","has coordinates","213526","2020-10-21","18:00:00",""
"7232316","11.3805","0.0005","11.7754","0.0005","13.5775","0.0005","90.886","0.001","114.586","0.001","112.289","0.001","1498.12","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","(6-(benzoyl)-3-(2-methoxyphenyl)-sydnone imine-4-yl)thio)-(triphenylphosphine)-gold(I)","","- C34 H27 Au N3 O3 P S -","- C34 H27 Au N3 O3 P S -","- C68 H54 Au2 N6 O6 P2 S2 -","2","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","0.71073","MoKα","","0.0188","0.0164","","","0.035","0.0358","","","","","","1.069","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232317","11.2078","0.0004","16.0505","0.0006","16.8226","0.0007","74.625","0.002","88.792","0.002","85.859","0.002","2910.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(5-benzamide-3-(2-methoxyphenyl)-1,2,3-oxadiazol-3-ium-4-yl)triphenylborate","","- C35 H30.5 B N3 O3.25 -","- C34 H28 B N3 O3 -","- C136 H112 B4 N12 O12 -","4","2","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","1.54178","CuKα","","0.0669","0.06","","","0.1661","0.1717","","","","","","1.04","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232318","23.9648","0.0012","6.5378","0.0003","14.6598","0.0008","90","","92.902","0.001","90","","2293.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethyl-N-(1-morpholinyl-1-thioxo-ethan-2-one)-carbamate","","- C9 H14 N2 O4 S -","- C9 H14 N2 O4 S -","- C72 H112 N16 O32 S8 -","8","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","1.54178","CuKα","","0.0293","0.0293","","","0.0733","0.0733","","","","","","1.086","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232319","8.5954","0.0011","11.3147","0.0014","17.4308","0.0019","77.613","0.004","86.366","0.004","70.249","0.004","1558.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","bis((6-(benzoyl)-3-(2-methoxyphenyl)-sydnone imine-4-yl)thio)mercury(II)","","- C32 H24 Hg N6 O6 S2 -","- C32 H24 Hg N6 O6 S2 -","- C64 H48 Hg2 N12 O12 S4 -","2","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","0.71073","MoKα","","0.0205","0.0175","","","0.0359","0.0374","","","","","","1.08","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232320","10.4627","0.0005","11.466","0.0006","13.4682","0.0007","79.335","0.002","68.151","0.002","89.637","0.002","1470.28","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","bis(6-benzoyl-3-(2-methoxyphenyl)-sydnone imine-4-yl)-mercury(II)","","- C32 H24 Hg N6 O6 -","- C32 H24 Hg N6 O6 -","- C64 H48 Hg2 N12 O12 -","2","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","0.71073","MoKα","","0.0261","0.0237","","","0.049","0.0496","","","","","","1.19","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232321","5.0637","0.0004","4.9677","0.0004","29.092","0.002","90","","94.332","0.002","90","","729.72","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","0.5","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0413","0.0369","","","0.0984","0.1021","","","","","","1.068","","","","has coordinates","223479","2020-10-21","18:00:00",""
"7232322","4.9806","0.0004","11.5051","0.0008","14.8528","0.0012","68.367","0.005","80.383","0.004","78.374","0.004","770.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","1","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0843","0.0501","","","0.1071","0.1217","","","","","","1.018","","","","has coordinates","223479","2020-10-21","18:00:00",""
"7232323","7.672","0.0011","9.7977","0.0013","9.9187","0.0013","90","","90.011","0.005","90","","745.57","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C24 H38 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.04","0.0347","","","0.0915","0.0952","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232324","10.3216","0.0009","6.6441","0.0005","12.054","0.0011","90","","105.426","0.004","90","","796.86","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N3 O3 S -","- C13 H21 N3 O3 S -","- C26 H42 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0336","0.0306","","","0.0793","0.0817","","","","","","1.034","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232325","10.4333","0.0007","6.8279","0.0004","11.1774","0.0007","90","","113.332","0.004","90","","731.14","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C24 H38 N6 O8 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0389","0.0327","","","0.0727","0.0762","","","","","","1.031","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232326","10.4296","0.0006","6.7642","0.0003","11.2829","0.0006","90","","113.623","0.003","90","","729.28","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N3 O3 S -","- C11 H16 Cl N3 O3 S -","- C22 H32 Cl2 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0416","0.0355","","","0.0923","0.0978","","","","","","1.057","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232327","10.085","0.0005","6.6661","0.0003","18.9899","0.0009","90","","104.813","0.003","90","","1234.22","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H12 Cl N3 O3 S -","- C9 H12 Cl N3 O3 S -","- C36 H48 Cl4 N12 O12 S4 -","4","2","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0407","0.0352","","","0.0878","0.0915","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232328","10.4081","0.0004","5.8338","0.0002","13.2672","0.0005","90","","107.035","0.004","90","","770.22","0.05","150.2","0.3","150.2","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromo-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0488","0.0385","","","0.0565","0.0613","","","","","","1.033","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232329","10.2583","0.0006","5.8537","0.0003","13.2818","0.0009","90","","106.933","0.007","90","","762.98","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chloro-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C28 H24 Cl2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0589","0.0431","","","0.0707","0.0785","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232330","7.2766","0.0003","7.3862","0.0003","14.2883","0.0005","99.348","0.003","103.715","0.004","90.271","0.003","735.39","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-iodoaniline 3,5-dinitrobenzoic acid","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C26 H20 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0633","0.046","","","0.1018","0.1099","","","","","","1.081","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232331","6.7588","0.0001","12.0929","0.0002","36.4619","0.0005","90","","90","","90","","2980.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-iodoanilinium 3,5-dinitrobenzoate","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C104 H80 I8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0213","0.0205","","","0.0472","0.0476","","","","","","1.071","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232332","7.1802","0.0004","7.242","0.0004","14.7292","0.0006","87.048","0.004","88.078","0.004","89.926","0.005","764.46","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -1","-P 1","2","","4-bromo-2-methylaniline 3,5-dinitrobenzoic acid","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0766","0.049","","","0.0926","0.1058","","","","","","1.068","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232333","6.7937","0.0001","11.9574","0.0001","35.8729","0.0003","90","","90","","90","","2914.13","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-bromoanilinium 3,5-dinitrobenzoate","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C104 H80 Br8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","1.54184","CuKα","","0.0397","0.039","","","0.1056","0.1067","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232334","7.3332","0.001","13.937","0.002","15.611","0.002","65.133","0.005","82.758","0.006","83.33","0.006","1432.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-bromoaniline 3,5-dinitrobenzoic acid","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C52 H40 Br4 N12 O24 -","4","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71075","MoKα","","0.0403","0.0324","","","0.0839","0.0879","","","","","","1.143","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232335","11.979","0.0003","14.0236","0.0005","12.1193","0.0003","90","","104.952","0.002","90","","1966.97","0.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl Cu N4 O S -","- C20 H19 Cl Cu N4 O S -","- C80 H76 Cl4 Cu4 N16 O4 S4 -","4","1","","Santana, Vinicius T.; Cunha, Beatriz N.; Plutín, Ana M; Silveira, Rafael G.; Castellano, Eduardo E.; Batista, Alzir A.; Calvo, Rafael; Nascimento, Otaciro R.","Magnetic-field-tuned phase transition of a molecular material from the isolated-spin to the coupled-spin regime.","Physical chemistry chemical physics : PCCP","2019","21","8","4394","4407","10.1039/c8cp06719h","","x-ray","0.71073","MoKα","","0.0791","0.0656","","","0.1888","0.1973","","","","","","1.104","","","","has coordinates","225324","2020-10-21","18:00:00",""
"7232336","11.484","0.0005","14.0467","0.0006","16.5321","0.0007","67.166","0.002","83.813","0.002","67.008","0.002","2259.57","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 F12 N6 O P2 Ru -","- C44 H44 F12 N6 O P2 Ru -","- C88 H88 F24 N12 O2 P4 Ru2 -","2","1","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.0521","0.0426","","","0.0901","0.0952","","","","","","1.093","","","","has coordinates,has disorder","225353","2020-10-21","18:00:00",""
"7232337","11.1852","0.0006","16.4112","0.001","23.1159","0.0013","90","","96.108","0.003","90","","4219.1","0.4","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 F12 N6 P2 Ru -","- C46 H34 F12 N6 P2 Ru -","- C184 H136 F48 N24 P8 Ru4 -","4","1","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.107","0.0611","","","0.1435","0.1676","","","","","","1.016","","","","has coordinates","225353","2020-10-21","18:00:00",""
"7232338","11.3357","0.0009","31.071","0.003","12.8113","0.0011","90","","99.628","0.005","90","","4448.7","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H38 F12 N6 P2 Ru -","- C48 H38 F12 N6 P2 Ru -","- C192 H152 F48 N24 P8 Ru4 -","4","2","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.066","0.0525","","","0.1221","0.1322","","","","","","1.067","","","","has coordinates","225353","2020-10-21","18:00:00",""
"7232339","17.5291","0.0014","17.5291","0.0014","14.569","0.002","90","","90","","90","","4476.6","0.8","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Dy2 N6 O18 -","- C42 H30 Dy2 N6 O18 -","- C168 H120 Dy8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0407","0.0387","","","0.0967","0.0987","","","","","","1.074","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232340","17.5481","0.0011","17.5481","0.0011","14.5406","0.0011","90","","90","","90","","4477.6","0.5","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Eu2 N6 O18 -","- C42 H30 Eu2 N6 O18 -","- C168 H120 Eu8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0636","0.0572","","","0.1259","0.1318","","","","","","1.108","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232341","17.5494","0.0009","17.5494","0.0009","14.5562","0.001","90","","90","","90","","4483","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Gd2 N6 O18 -","- C42 H30 Gd2 N6 O18 -","- C168 H120 Gd8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0613","0.0547","","","0.1206","0.1271","","","","","","1.114","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232342","17.6414","0.0006","17.6414","0.0006","14.6038","0.0009","90","","90","","90","","4545","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Sm2 -","- C42 H30 N6 O18 Sm2 -","- C168 H120 N24 O72 Sm8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0425","0.0371","","","0.0761","0.0788","","","","","","1.096","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232343","17.4158","0.0006","17.4158","0.0006","14.4403","0.0009","90","","90","","90","","4379.9","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Yb2 -","- C42 H30 N6 O18 Yb2 -","- C168 H120 N24 O72 Yb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0291","0.0282","","","0.0712","0.0724","","","","","","1.064","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232344","17.589","0.007","17.589","0.007","14.561","0.008","90","","90","","90","","4505","4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Er2 N6 O18 -","- C42 H30 Er2 N6 O18 -","- C168 H120 Er8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0369","0.0337","","","0.0749","0.0768","","","","","","1.059","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232345","17.5565","0.0006","17.5565","0.0006","14.5448","0.0008","90","","90","","90","","4483.2","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Tb2 -","- C42 H30 N6 O18 Tb2 -","- C168 H120 N24 O72 Tb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0353","0.0329","","","0.0775","0.079","","","","","","1.105","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232346","17.572","0.0006","17.572","0.0006","14.5303","0.0011","90","","90","","90","","4486.6","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Ho2 N6 O18 -","- C42 H30 Ho2 N6 O18 -","- C168 H120 Ho8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0338","0.0312","","","0.0707","0.072","","","","","","1.078","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232347","6.4124","0.0014","12.451","0.003","14.248","0.003","101.099","0.004","102.349","0.004","94.856","0.004","1081","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O3 -","- C26 H22 N4 O3 -","- C52 H44 N8 O6 -","2","1","","Liu, Zengchen; Li, Shujing; Ge, Genwu; Li, Yanxia; Zhao, Chunxiang; Zhang, Hui; Yang, Zhiguang","A novel nitrogen heterocycle platform-based highly selective and sensitive fluorescence chemosensor for the detection of Al3+ and its application in cell imaging","RSC Advances","2019","9","10","5377","","10.1039/C8RA10036E","","","0.71073","MoKα","","0.1059","0.0533","","","0.1232","0.1441","","","","","","0.944","","","","has coordinates","213616","2020-10-21","18:00:00",""
"7232348","8.1083","0.0005","10.3884","0.0006","11.943","0.0008","108.394","0.0019","95.407","0.002","108.653","0.0014","882.88","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","1","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","","0.0338","","","","0.0826","","","","","","1.094","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232349","23.2726","0.0012","9.8774","0.0004","15.2044","0.0007","90","","112.301","0.0015","90","","3233.6","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu2 N12 O4 -","- C36 H24 Cu2 N12 O4 -","- C144 H96 Cu8 N48 O16 -","4","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0286","0.0262","","","0.0666","0.068","","","","","","1.083","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232350","10.989","0.003","28.1","0.006","11.059","0.003","90","","109.434","0.002","90","","3220.4","1.4","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cu4 N28 O4 -","- C72 H36 Cu4 N28 O4 -","- C144 H72 Cu8 N56 O8 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0429","0.0367","","","0.0892","0.093","","","","","","1.072","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232351","4.4893","0.0002","15.5665","0.0005","24.4653","0.0009","90","","92.894","0.002","90","","1707.52","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[c]cinnoline + 1,4-Tetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0497","0.0429","","","0.1074","0.1107","","","","","","1.109","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232352","11.57","0.0004","11.6762","0.0004","11.7522","0.0004","70.484","0.002","63.812","0.002","73.849","0.002","1326.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","","- C31 H20 F4 I2 N2 -","- C31 H20 F4 I2 N2 -","- C62 H40 F8 I4 N4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0453","0.0337","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232353","8.0795","0.0005","11.2522","0.0006","15.1999","0.0009","78.399","0.002","81.52","0.003","69.72","0.003","1265.16","0.13","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","1","0.5","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.066","0.0537","","","0.1273","0.1344","","","","","","1.091","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232354","13.9639","0.0005","9.2151","0.0003","28.0322","0.0009","90","","98.66","0.001","90","","3566","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","","- C46 H30 F4 I2 -","- C46 H30 F4 I2 -","- C184 H120 F16 I8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0367","0.0298","","","0.0642","0.067","","","","","","1.037","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232355","26.714","0.009","13.423","0.004","7.556","0.003","90","","97.82","0.02","90","","2684.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","","- C30 H16 F4 I2 N4 -","- C30 H16 F4 I2 N4 -","- C120 H64 F16 I8 N16 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.2393","0.0909","","","0.1611","0.2157","","","","","","0.994","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232356","9.3655","0.0004","11.0244","0.0004","13.431","0.0005","89.844","0.002","74.129","0.002","73.241","0.002","1272.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","","- C32 H18 F4 I2 -","- C32 H18 F4 I2 -","- C64 H36 F8 I4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.038","0.0349","","","0.0804","0.082","","","","","","1.126","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232357","11.868","0.007","15.208","0.009","13.24","0.008","90","","92.47","0.009","90","","2387","2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl2 N2 O8 -","- C6 H10 Cl2 N2 O8 -","- C48 H80 Cl16 N16 O64 -","8","2","","Gan, Xuecheng; Tang, Zheng; Zhang, Wenjun; Xu, Cong; Sun, Xiaofan; Gao, Zhangran; Wu, Yizhang; Cai, Hong-Ling; Wu, X. S.","Molecular ferroelectric pyridin-2-ylmethanaminium perchlorate with phase transition induced by disorder of perchlorate","RSC Advances","2019","9","10","5470","","10.1039/C8RA10031D","","","0.71073","MoKα","","0.0902","0.0631","","","0.1731","0.2007","","","","","","1.115","","","","has coordinates,has disorder","213636","2020-10-21","18:00:00",""
"7232358","11.7656","0.0006","15.088","0.0008","13.1523","0.0008","90","","91.793","0.0006","90","","2333.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl8 N8 O32 -","- C24 H40 Cl8 N8 O32 -","- C48 H80 Cl16 N16 O64 -","2","1","","Gan, Xuecheng; Tang, Zheng; Zhang, Wenjun; Xu, Cong; Sun, Xiaofan; Gao, Zhangran; Wu, Yizhang; Cai, Hong-Ling; Wu, X. S.","Molecular ferroelectric pyridin-2-ylmethanaminium perchlorate with phase transition induced by disorder of perchlorate","RSC Advances","2019","9","10","5470","","10.1039/C8RA10031D","","","0.71073","MoKα","","0.087","0.0722","","","0.1919","0.2118","","","","","","1.351","","","","has coordinates,has disorder","213636","2020-10-21","18:00:00",""
"7232359","11.4279","0.0013","11.6213","0.0013","11.4696","0.0018","90","","108.424","0.013","90","","1445.2","0.3","287","18","287","18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H8 N5 O4 Zn -","- C14 H8 N5 O4 Zn -","- C56 H32 N20 O16 Zn4 -","4","0.5","","Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui","A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions","CrystEngComm","2019","21","12","1948","","10.1039/C9CE00068B","","x-ray","0.71073","MoKα","","0.0728","0.0693","","","0.1751","0.1785","","","","","","1.051","","","","has coordinates,has disorder","223729","2020-10-21","18:00:00",""
"7232360","26.001","0.003","26.001","0.003","6.8271","0.0009","90","","90","","120","","3997.1","0.8","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","","","- C14 H16 N2 O8 Zn2 -","- C14 H16 N2 O8 Zn2 -","- C126 H144 N18 O72 Zn18 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54187","CuKα","","0.0567","0.0477","","","0.1496","0.1578","","","","","","1.071","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232361","25.9434","0.0009","25.9434","0.0009","6.8189","0.0002","90","","90","","120","","3974.6","0.2","173","2","173","2","","","","","","","","4","R -3","-R 3","148","","","","- C8 H6 Mg2 O8 -","- C8 H6 Mg2 O8 -","- C72 H54 Mg18 O72 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54184","CuKα","","0.074","0.0624","","","0.1823","0.1893","","","","","","1.134","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232362","22.931","0.008","22.931","0.008","15.931","0.006","90","","90","","120","","7255","5","93","2","93.15","","","","","","","","","4","R 3 c","R 3 -2""c","161","","","","- C8 H4 O7 Zn2 -","- C8 H3.578 O7 Zn2 -","- C144 H64.404 O126 Zn36 -","18","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","0.71075","MoKα","","0.0456","0.0426","","","0.136","0.1386","","","","","","1.181","","","","has coordinates,has disorder","213647","2020-10-21","18:00:00",""
"7232363","8.2387","0.0014","9.1226","0.0015","15.647","0.003","78.884","0.002","77.335","0.002","63.875","0.002","1023.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 F5 N3 O4 -","- C21 H14 F5 N3 O4 -","- C42 H28 F10 N6 O8 -","2","1","","Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group","Green Chemistry","2019","21","6","1505","","10.1039/C8GC03698E","","","0.71073","MoKα","","0.0658","0.0501","","","0.1497","0.1619","","","","","","1.094","","","","has coordinates","224609","2020-10-21","18:00:00",""
"7232364","8.6308","0.0016","9.4049","0.0018","13.955","0.003","78.895","0.002","81.887","0.002","74.726","0.002","1067.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F5 N2 O2 -","- C23 H19 F5 N2 O2 -","- C46 H38 F10 N4 O4 -","2","1","","Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group","Green Chemistry","2019","21","6","1505","","10.1039/C8GC03698E","","","0.71073","MoKα","","0.0861","0.0512","","","0.1386","0.1679","","","","","","1.022","","","","has coordinates","224609","2020-10-21","18:00:00",""
"7232365","9.5897","0.0003","14.3802","0.0007","18.8257","0.0008","107.624","0.004","103.176","0.003","99.794","0.003","2327.76","0.19","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.88 H53 Br2.12 Eu F2.62 N3 O21.62 S0.88 -","- C30.874 H31 Br2.126 Eu F2.622 N3 O10.622 S0.874 -","- C61.748 H62 Br4.252 Eu2 F5.244 N6 O21.244 S1.748 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.055","0.0528","","","0.1478","0.1505","","","","","","1.078","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232366","9.5721","0.0004","14.4092","0.0006","18.7321","0.0007","106.854","0.004","103.019","0.004","99.792","0.004","2331.09","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.68 H53 Br2.32 F2.06 N3 Nd O21.06 S0.69 -","- C30.686 H31 Br2.314 F2.058 N3 Nd O10.058 S0.686 -","- C61.372 H62 Br4.628 F4.116 N6 Nd2 O20.116 S1.372 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0642","0.0612","","","0.1752","0.1788","","","","","","1.047","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232367","11.1828","0.0006","13.1617","0.0005","13.3823","0.0007","103.662","0.004","114.054","0.005","106.336","0.004","1581.64","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","1","0.5","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","0.71073","MoKα","","0.0539","0.0402","","","0.0869","0.0944","","","","","","1.024","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232368","9.5251","0.0003","14.2183","0.0003","18.865","0.0007","107.596","0.003","102.916","0.003","99.489","0.002","2298.26","0.14","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.83 H53 Br2.17 F2.5 N3 O21.5 S0.83 Sm -","- C30.831 H31 Br2.169 F2.493 N3 O10.493 S0.831 Sm -","- C61.662 H62 Br4.338 F4.986 N6 O20.986 S1.662 Sm2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0643","0.0606","","","0.1672","0.1719","","","","","","1.06","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232369","9.528","0.0004","14.3123","0.0006","18.861","0.0008","107.797","0.004","103.227","0.004","99.461","0.003","2306.55","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H51 Br2 F3 Gd N3 O21 S -","- C31 H31 Br2 F3 Gd N3 O11 S -","- C62 H62 Br4 F6 Gd2 N6 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0724","0.0686","","","0.193","0.1984","","","","","","1.055","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232370","18.7334","0.0004","25.659","0.0005","9.82867","0.00019","90","","102.696","0.002","90","","4608.93","0.16","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.61 H47 Br1.39 F4.84 N3 O20.84 S1.61 Sm -","- C31.611 H31 Br1.389 F4.833 N3 O12.833 S1.611 Sm -","- C126.444 H124 Br5.556 F19.332 N12 O51.332 S6.444 Sm4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0589","0.0529","","","0.1453","0.1502","","","","","","1.061","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232371","9.1533","0.0009","14.3573","0.0013","18.8779","0.0016","107.505","0.008","103.919","0.008","96.822","0.008","2247","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Br2 N3 Nd O21 -","- C32 H34 Br2 N3 Nd O10 -","- C64 H68 Br4 N6 Nd2 O20 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0498","0.043","","","0.1097","0.1163","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232372","18.7643","0.0002","25.6962","0.0003","9.85675","0.00012","90","","102.856","0.0012","90","","4633.51","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.65 H43 Br1.35 F4.94 N3 Nd O19.29 S1.65 -","- C31.647 H31 Br1.353 F4.941 N3 Nd O13.294 S1.647 -","- C126.588 H124 Br5.412 F19.764 N12 Nd4 O53.176 S6.588 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0552","0.0464","","","0.1295","0.1363","","","","","","1.068","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232373","9.5114","0.0004","14.2612","0.0006","18.8972","0.0006","108.079","0.004","103.298","0.003","99.25","0.004","2295.55","0.18","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H49 Br2 F3 N3 O20 S Tb -","- C31 H31 Br2 F3 N3 O11 S Tb -","- C62 H62 Br4 F6 N6 O22 S2 Tb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0721","0.0688","","","0.1859","0.1887","","","","","","1.049","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232374","9.2767","0.0003","13.0591","0.0005","18.3855","0.0008","107.284","0.004","98.961","0.003","94.147","0.003","2084.11","0.15","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 O15 Yb -","- C30 H31 Br3 N3 O9 Yb -","- C60 H62 Br6 N6 O18 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0372","0.0327","","","0.0847","0.0879","","","","","","1.034","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232375","9.6013","0.0003","14.3577","0.0003","18.7825","0.0005","106.592","0.002","102.854","0.002","99.256","0.002","2348.43","0.12","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.76 H51 Br2.24 F2.3 La N3 O20.3 S0.76 -","- C30.766 H31 Br2.234 F2.298 La N3 O10.298 S0.766 -","- C61.532 H62 Br4.468 F4.596 La2 N6 O20.596 S1.532 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.06","0.0574","","","0.1614","0.1649","","","","","","1.035","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232376","10.0256","0.0003","14.2571","0.0004","18.5311","0.0005","109.018","0.003","105.086","0.003","95.287","0.002","2372.01","0.14","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C32.9 H41 Br0.1 F8.7 N3 O21.7 S2.9 Yb -","- C32.9 H31 Br0.1 F8.7 N3 O16.7 S2.9 Yb -","- C65.8 H62 Br0.2 F17.4 N6 O33.4 S5.8 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0913","0.0822","","","0.2401","0.2745","","","","","","1.184","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232377","9.4378","0.0003","12.3546","0.0003","18.881","0.0004","104.683","0.002","98.809","0.002","99.428","0.002","2056.69","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 Nd O15 -","- C30 H31 Br3 N3 Nd O8 -","- C60 H62 Br6 N6 Nd2 O16 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.1163","0.1179","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232378","9.6393","0.0004","12.2016","0.0006","19.0185","0.0007","105.771","0.004","99.826","0.003","99.967","0.004","2063.48","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 La N6 O24 -","- C30 H31 La N6 O17 -","- C60 H62 La2 N12 O34 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0736","0.0671","","","0.1801","0.1883","","","","","","1.087","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232379","9.4141","0.0003","12.0776","0.0003","18.7454","0.0005","105.103","0.002","98.057","0.002","99.489","0.002","1991.7","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H31 Br2 F3 N3 Nd O11 S -","- C31 H31 Br2 F3 N3 Nd O11 S -","- C62 H62 Br4 F6 N6 Nd2 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0378","0.0367","","","0.0944","0.0952","","","","","","1.05","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232380","18.5943","0.0002","25.8101","0.0004","9.772","0.00013","90","","102.343","0.0013","90","","4581.38","0.11","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.58 H47 Br1.42 F4.73 N3 O21.15 S1.58 Tb -","- C31.577 H31 Br1.423 F4.731 N3 O13.154 S1.577 Tb -","- C126.308 H124 Br5.692 F18.924 N12 O52.616 S6.308 Tb4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0637","0.0571","","","0.1567","0.1651","","","","","","1.04","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232381","18.6774","0.0006","25.6718","0.0007","9.756","0.0003","90","","102.421","0.003","90","","4568.3","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.55 H43 Br1.45 Eu F4.64 N3 O19.1 S1.55 -","- C31.548 H31 Br1.452 Eu F4.644 N3 O13.096 S1.548 -","- C126.192 H124 Br5.808 Eu4 F18.576 N12 O52.384 S6.192 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0987","0.0835","","","0.2359","0.2492","","","","","","1.08","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232382","10.1269","0.0003","14.2176","0.0004","34.2981","0.0006","89.1178","0.0019","87.111","0.002","87.308","0.003","4926.1","0.2","123","0.1","123","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65.9 H86 Br0.1 F17.7 N6 O47.45 S5.9 Sm2 -","- C65.9 H62 Br0.1 F17.7 N6 O35.45 S5.9 Sm2 -","- C131.8 H124 Br0.2 F35.4 N12 O70.9 S11.8 Sm4 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0845","0.0694","","","0.176","0.1891","","","","","","1.022","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232383","9.5796","0.0003","12.0095","0.0007","18.6284","0.0005","104.551","0.004","98.841","0.003","102.169","0.004","1978.82","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N6 O22 Y -","- C30 H31 N6 O17 Y -","- C60 H62 N12 O34 Y2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0593","0.0551","","","0.1496","0.1527","","","","","","1.109","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232384","8.7309","0.0009","12.2707","0.0011","19.3079","0.0011","106.661","0.007","100.429","0.007","91.716","0.008","1941.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Br2 N3 Nd O15 -","- C32 H44 Br2 N3 Nd O15 -","- C64 H88 Br4 N6 Nd2 O30 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0272","0.0251","","","0.0589","0.06","","","","","","1.007","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232385","9.5948","0.0006","12.3229","0.0009","18.8983","0.0013","106.033","0.006","99.619","0.006","99.928","0.006","2060.3","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 N6 Nd O23 -","- C30 H31 N6 Nd O18.001 -","- C60 H62 N12 Nd2 O36.002 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0415","0.0401","","","0.1081","0.1098","","","","","","1.03","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232386","9.1863","0.0006","16.2887","0.0012","17.375","0.0014","90","","99.022","0.007","90","","2567.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29.5 N5.5 O6 Zn -","- C23 H29.5 N5.5 O6 Zn -","- C92 H118 N22 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0621","0.055","","","0.1416","0.1467","","","","","","1.156","","","","has coordinates,has disorder","223645","2020-10-21","18:00:00",""
"7232387","9.7202","0.0006","23.5966","0.0013","12.3749","0.0007","90","","111.874","0.008","90","","2634","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 N10 O10 Zn2 -","- C60 H44 N10 O10 Zn2 -","- C120 H88 N20 O20 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1285","0.0612","","","0.1045","0.1222","","","","","","1.006","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232388","8.8216","0.0004","17.2271","0.0009","18.351","0.0009","90","","102.417","0.007","90","","2723.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N10 O12 Zn2 -","- C52 H52 N10 O12 Zn2 -","- C104 H104 N20 O24 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1425","0.0785","","","0.153","0.1786","","","","","","1.079","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232389","9.1986","0.0007","24.7507","0.0016","12.266","0.0008","90","","111.586","0.008","90","","2596.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 O6 Zn -","- C28 H21 N7 O6 Zn -","- C112 H84 N28 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0392","0.031","","","0.0741","0.0773","","","","","","1.018","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232390","9.5458","0.0004","11.2817","0.0006","18.8823","0.0008","80.822","0.004","83.839","0.003","85.407","0.004","1991.75","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N6 O4 -","- C47 H34 N6 O4 -","- C94 H68 N12 O8 -","2","1","","Yang, Qin; Yin, Zhijian; Zheng, Lifang; Yuan, Jianjun; Wei, Song; Ding, Qiuping; Peng, Yiyuan","Copper-catalyzed cross-dehydrogenative coupling between quinazoline-3-oxides and indoles","RSC Advances","2019","9","11","5870","","10.1039/C8RA09864F","","x-ray","0.71073","MoKα","","0.0873","0.0676","","","0.1988","0.2158","","","","","","1.046","","","","has coordinates,has disorder","213702","2020-10-21","18:00:00",""
"7232391","7.0839","0.0003","10.8648","0.0006","10.9553","0.0006","90.615","0.005","94.232","0.004","107.982","0.005","799.3","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N3 O3 -","- C16 H18 Cl N3 O3 -","- C32 H36 Cl2 N6 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0546","0.0487","","","0.1276","0.1368","","","","","","1.099","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232392","11.8236","0.0006","8.6618","0.0003","12.0259","0.0006","90","","113.493","0.006","90","","1129.53","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.04","0.0363","","","0.0946","0.0983","","","","","","1.077","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232393","7.0323","0.0003","8.6204","0.0004","13.7182","0.0006","105.738","0.002","94.77","0.002","103.82","0.002","767.47","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C32 H32 N8 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0372","0.0324","","","0.0903","0.102","","","","","","1.099","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232394","3.9393","0.0001","13.8586","0.0004","21.9545","0.0007","90","","93.737","0.003","90","","1196.02","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0365","0.0309","","","0.0715","0.0761","","","","","","1.101","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232395","3.9592","0.0002","13.8353","0.0007","22.1033","0.0011","90","","93.241","0.005","90","","1208.81","0.11","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0757","0.058","","","0.1605","0.1889","","","","","","1.027","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232396","10.0695","0.0011","4.478","0.0005","23.887","0.003","90","","92.333","0.003","90","","1076.2","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0782","0.051","","","0.1367","0.1544","","","","","","1.087","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232397","8.455","0.003","9.0629","0.0013","9.75","0.02","90","","90.82","0.09","90","","747","1.6","293","2","293","2","","","101.325","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0682","0.0493","","","0.1218","0.1554","","","","","","1.165","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232398","8.2704","0.0011","8.9463","0.0009","9.698","0.016","90","","90.54","0.04","90","","717.5","1.2","293","2","293","2","","","140000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1003","0.0777","","","0.1946","0.2365","","","","","","1.094","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232399","7.8573","0.0004","8.5876","0.0004","9.533","0.005","90","","90.103","0.011","90","","643.2","0.3","293","2","293","2","","","1375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0615","0.0496","","","0.1095","0.1211","","","","","","1.112","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232400","8.1489","0.0007","8.8529","0.0005","9.679","0.01","90","","90.55","0.02","90","","698.2","0.7","293","2","293","2","","","350000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0751","0.0575","","","0.1487","0.1706","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232401","7.78108","0.00018","8.47624","0.00015","9.491","0.002","90","","89.76","0.006","90","","625.97","0.13","293","2","293","2","","","1985000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0744","0.0635","","","0.1762","0.1966","","","","","","0.995","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232402","7.75291","0.00015","8.41359","0.00013","9.4554","0.0019","90","","89.589","0.005","90","","616.76","0.12","293","2","293","2","","","2375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0782","0.0667","","","0.1763","0.1972","","","","","","1.15","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232403","6.6822","0.0005","8.4144","0.0004","10.572","0.006","90","","90","","90","","594.4","0.3","293","2","293","2","","","2510000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0998","0.067","","","0.1892","0.2263","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232404","6.528","0.0002","8.351","0.0003","10.604","0.004","90","","90","","90","","578.1","0.2","293","2","293","2","","","3065000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0529","0.0456","","","0.1161","0.1268","","","","","","1.134","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232405","6.6082","0.0004","8.3753","0.0004","10.595","0.006","90","","90","","90","","586.4","0.3","293","2","293","2","","","2780000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0572","0.0519","","","0.1398","0.1494","","","","","","1.13","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232406","7.8138","0.0002","8.5286","0.0002","9.499","0.004","90","","89.91","0.008","90","","633","0.3","293","2","293","2","","","1700000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0717","0.0522","","","0.1297","0.1533","","","","","","1.09","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232407","8.0397","0.0002","8.7626","0.0002","9.644","0.003","90","","90.266","0.007","90","","679.4","0.2","293","2","293","2","","","625000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1025","0.0781","","","0.2111","0.2579","","","","","","1.086","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232408","13.5987","0.0004","24.837","0.0006","17.1946","0.0005","90","","92.056","0.003","90","","5803.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O11 Zn2 -","- C68 H48 N4 O11 Zn2 -","- C272 H192 N16 O44 Zn8 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1085","0.0573","","","0.1246","0.1418","","","","","","1.091","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232409","13.5686","0.0004","24.9419","0.0007","17.0814","0.0006","90","","91.796","0.003","90","","5778","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cu2 N4 O11 -","- C68 H48 Cu2 N4 O11 -","- C272 H192 Cu8 N16 O44 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1343","0.0617","","","0.1338","0.1562","","","","","","1.034","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232410","16.174","0.002","16.174","0.002","16.357","0.003","90","","90","","90","","4279","1.1","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","Compound 3","","- C24 H12 Cu N O5 -","- C24 H12 Cu N O5 -","- C192 H96 Cu8 N8 O40 -","8","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.074","0.0621","","","0.1465","0.153","","","","","","1.045","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232411","8.7777","0.001","11.1568","0.0015","21.241","0.003","90","","96.632","0.004","90","","2066.2","0.5","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 I N S2 -","- C9 H6 I N S2 -","- C72 H48 I8 N8 S16 -","8","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0336","0.0307","","","0.0974","0.1095","","","","","","1.101","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232412","4.1078","0.0007","24.675","0.005","13.943","0.003","90","","118.785","0.007","90","","1238.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1094","0.0758","","","0.1622","0.1758","","","","","","1.042","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232413","12.526","0.0018","14.352","0.002","14.522","0.002","117.141","0.004","95.478","0.005","100.638","0.005","2234.6","0.6","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H8 I2 N2 S6 -","- C18 H8 I2 N2 S6 -","- C72 H32 I8 N8 S24 -","4","2","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1793","0.116","","","0.3164","0.3626","","","","","","1.079","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232414","8.1394","0.0007","6.9798","0.0007","22.487","0.002","90","","94.788","0.003","90","","1273.1","0.2","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0337","0.0306","","","0.0814","0.0834","","","","","","1.054","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232415","12.96","0.005","19.166","0.005","20.622","0.005","77.511","0.005","75.913","0.005","83.394","0.005","4840","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C0 H0 Cs9 K9 Mn Na0 Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1159","0.0664","","","0.1665","0.1906","","","","","","1.023","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232416","13.01","0.005","19.204","0.005","20.756","0.005","77.307","0.005","75.046","0.005","83.226","0.005","4877","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C0 H0 Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1371","0.0917","","","0.2492","0.2897","","","","","","1.056","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232417","12.999","0.005","19.174","0.005","20.681","0.005","77.303","0.005","75.251","0.005","83.327","0.005","4853","3","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C0 H0 Ca0 Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1152","0.0695","","","0.179","0.2085","","","","","","1.055","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232418","3.7235","0.0002","23.3797","0.001","7.9055","0.0003","90","","96.548","0.004","90","","683.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C24 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","x-ray","0.71073","MoKα","","0.0351","0.0324","","","0.09","0.0915","","","","","","1.067","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232419","24.171","0.004","3.7103","0.0005","32.824","0.005","90","","111.493","0.005","90","","2739","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C96 H96 Cl16 Cu8 N32 O16 -","8","1","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0742","0.0652","","","0.1799","0.1843","","","","","","1.102","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232420","3.8846","0.0007","23.76","0.005","7.9582","0.0013","90","","96.19","0.016","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0609","0.0481","","","0.075","0.0779","","","","","","1.2","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232421","3.797","0.0007","6.8449","0.0014","13.71","0.003","104.357","0.006","90.019","0.008","92.757","0.006","344.77","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0504","0.0371","","","0.0668","0.0709","","","","","","1.03","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232423","3.661","0.0004","6.626","0.0007","13.7328","0.0015","76.315","0.003","89.743","0.003","85.572","0.003","322.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0503","0.0422","","","0.1097","0.114","","","","","","1.083","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232424","3.9119","0.0007","13.828","0.002","13.5","0.002","90","","90.883","0.009","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.1148","0.0692","","","0.1306","0.1445","","","","","","1.12","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232425","12.564","0.0003","4.80981","0.00007","15.8319","0.0003","90","","112.756","0.003","90","","882.26","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C24 H60 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1216","0.1244","","","","","","1.078","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232426","4.84556","0.0001","20.5154","0.0005","21.945","0.0004","90","","90","","90","","2181.52","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N4 O3 -","- C18 H40 N4 O3 -","- C72 H160 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.123","0.1279","","","","","","1.042","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232427","26.1681","0.0006","4.81178","0.00018","16.5261","0.0005","90","","105.807","0.003","90","","2002.2","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H35 N5 O4 -","- C14 H35 N5 O4 -","- C56 H140 N20 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1514","0.1564","","","","","","1.077","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232428","25.636","0.0003","16.5436","0.0002","5.05085","0.00006","90","","90","","90","","2142.12","0.04","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C92 H128 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.04","0.0385","","","0.103","0.1059","","","","","","1.033","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232429","20.4259","0.0004","4.79492","0.00009","21.6606","0.0005","90","","102.636","0.002","90","","2070.07","0.08","293","2","293","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C15 H31.56 N4 O2 -","- C15 H31.7 N4 O2 -","- C60 H126.8 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1717","0.1775","","","","","","1.039","","","","has coordinates,has disorder","223650","2020-10-21","18:00:00",""
"7232430","5.01883","0.00014","16.5007","0.0005","25.5451","0.0007","90","","90","","90","","2115.5","0.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C22 H31 N5 O2 -","- C22 H31 N5 O2 -","- C88 H124 N20 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0451","0.0404","","","0.1084","0.1119","","","","","","1.036","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232431","20.733","0.009","26.304","0.012","28.112","0.013","90","","90","","90","","15331","12","223","2","223","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C52 H28 Br16 N4 O9 V -","- C52 H28 Br16 N4 O9 V -","- C416 H224 Br128 N32 O72 V8 -","8","1","","Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.","Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media","Green Chemistry","2019","21","7","1757","","10.1039/C8GC03909G","","","0.71073","MoKα","","0.2234","0.0783","","","0.2369","0.3034","","","","","","1.024","","","","has coordinates","224622","2020-10-21","18:00:00",""
"7232432","13.829","0.005","14.439","0.005","26.153","0.005","90","0.005","90","0.005","90","0.005","5222","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27.5 H22 N3 O5 V0.5 -","- C27.5 H22 N3 O5 V0.5 -","- C220 H176 N24 O40 V4 -","8","1","","Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.","Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media","Green Chemistry","2019","21","7","1757","","10.1039/C8GC03909G","","","0.71073","MoKα","","0.2466","0.1927","","","0.5193","0.5556","","","","","","2.181","","","","has coordinates","224622","2020-10-21","18:00:00",""
"7232433","12.6244","0.0003","15.2868","0.0004","38.1764","0.0008","90","","97.201","0.002","90","","7309.4","0.3","130","2","130","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F8 O10 Zn -","- C20 H18 F8 O10 Zn -","- C240 H216 F96 O120 Zn12 -","12","3","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0393","0.0284","","","0.0709","0.0771","","","","","","1.044","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232434","19.7538","0.0004","10.54","0.0002","23.0099","0.0005","90","","90.091","0.002","90","","4790.77","0.17","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 F8 N2 O4 Zn -","- C24 H12 F8 N2 O4 Zn -","- C192 H96 F64 N16 O32 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.032","0.0264","","","0.0628","0.0652","","","","","","1.047","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232435","10.2288","0.0005","15.2173","0.0007","15.2087","0.0006","90","","90","","90","","2367.31","0.18","130","2","130","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C40 H28 F16 O14 Zn2 -","- C40 H28 F16 O14 Zn2 -","- C80 H56 F32 O28 Zn4 -","2","0.25","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0326","0.0314","","","0.077","0.0782","","","","","","1.034","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232436","14.925","0.0012","5.4485","0.0004","27.4123","0.0015","90","","101.413","0.006","90","","2185.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F8 N4 O5 Zn -","- C20 H12 F8 N4 O5 Zn -","- C80 H48 F32 N16 O20 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0886","0.073","","","0.2119","0.2278","","","","","","1.05","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232437","13.3346","0.0004","15.4645","0.0004","10.9486","0.0003","90","","94.46","0.003","90","","2250.91","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F8 O8 Zn -","- C19 H16 F8 O8 Zn -","- C76 H64 F32 O32 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0684","0.0732","","","","","","1.044","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232438","17.6709","0.0004","18.1755","0.0007","17.705","0.0004","90","","91.349","0.002","90","","5684.9","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H106 F32 O45 Zn8 -","- C71 H52 F32 O32 Zn8 -","- C142 H104 F64 O64 Zn16 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0702","0.067","","","0.1851","0.1882","","","","","","1.032","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232439","10.474","0.0005","17.8233","0.0009","11.7087","0.0005","90","","107.009","0.0013","90","","2090.18","0.17","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0621","0.06","","","0.1833","0.186","","","","","","1.059","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232440","10.5958","0.0017","17.944","0.002","11.8027","0.0019","90","","107.323","0.006","90","","2142.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0692","0.0658","","","0.1942","0.1991","","","","","","1.069","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232441","11.954","0.002","7.454","0.002","15.468","0.003","90","","95.33","0.03","90","","1372.3","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Botla, Vinayak; Pilli, NavyaSree; Malapaka, Chandrasekharam","Uncatalyzed, on water oxygenative cleavage of inert C‒N bond with concomitant 8,7-amino shift in 8-aminoquinoline derivatives","Green Chemistry","2019","21","7","1735","","10.1039/C9GC00289H","","","0.71073","MoKα","","0.0749","0.0696","","","0.2049","0.2126","","","","","","1.06","","","","has coordinates","224624","2020-10-21","18:00:00",""
"7232442","6.294","0.0003","10.6563","0.0007","5.5677","0.0004","90","","95.069","0.005","90","","371.97","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 N8 O4 Zn -","- C2 H4 N8 O4 Zn -","- C4 H8 N16 O8 Zn2 -","2","0.5","","Zhang, Qi; Chen, Dong; Jing, Dong; Fan, Guijuan; He, Liu; Li, Hongzhen; Wang, Wentao; Nie, Fude","Access to green primary explosives via constructing coordination polymers based on bis-tetrazole oxide and non-lead metals","Green Chemistry","2019","21","8","1947","","10.1039/C8GC03973A","","","0.71073","MoKα","","0.0533","0.0412","","","0.1183","0.1304","","","","","","1.113","","","","has coordinates","224602","2020-10-21","18:00:00",""
"7232443","12.71311","0.00016","23.6491","0.0003","22.677","0.0003","90","","101.732","0.0012","90","","6675.49","0.15","100.02","0.1","100.02","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","2,5-diphenyl-1,3,4-oxadiazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C336 H240 N48 O24 -","24","6","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0777","0.0768","","","0.1996","0.2005","","","","","","1.033","","","","has coordinates,has disorder","213875","2020-10-21","18:00:00",""
"7232444","11.5227","0.0002","3.9692","0.0001","20.5396","0.0004","90","","93.366","0.002","90","","937.78","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazole","","- C9 H6 Cl2 N2 O -","- C9 H6 Cl2 N2 O -","- C36 H24 Cl8 N8 O4 -","4","1","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0327","0.0325","","","0.0888","0.0891","","","","","","1.087","","","","has coordinates","213875","2020-10-21","18:00:00",""
"7232445","5.3813","0.0001","19.4244","0.0004","7.4718","0.0002","90","","102.454","0.002","90","","762.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","2","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0833","0.0845","","","","","","1.048","","","","has coordinates","213875","2020-10-21","18:00:00",""
"7232446","14.8436","0.0005","27.5747","0.0008","16.3246","0.0005","90","","90","","90","","6681.8","0.4","200","0.14","200","0.14","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C192 H128 N48 O32 Zn16 -","8","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0851","0.0656","","","0.1785","0.1919","","","","","","1.085","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232447","11.2067","0.0005","11.2671","0.0006","11.6106","0.0005","90","","104.136","0.004","90","","1421.64","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N3 O2 Zn -","- C12 H8 N3 O2 Zn -","- C48 H32 N12 O8 Zn4 -","4","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0655","0.0463","","","0.119","0.1315","","","","","","1.031","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232448","13.5403","0.0003","14.7298","0.0003","16.54","0.0003","90","","90.2418","0.0018","90","","3298.81","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C96 H64 N24 O16 Zn8 -","4","0.5","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.113","0.1149","","","","","","1.112","","","","has coordinates,has disorder","223735","2020-10-21","18:00:00",""
"7232449","8.2598","0.0006","13.977","0.0011","30.125","0.002","90","","90","","90","","3477.8","0.4","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C61 H60 N16 O14 Zn2 -","- C61 H60 N16 O14 Zn2 -","- C122 H120 N32 O28 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.0733","0.0597","","","0.1303","0.1336","","","","","","1.074","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232450","10.772","0.005","30.453","0.014","10.404","0.005","90","","102.632","0.007","90","","3330","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N7 O7 Zn -","- C34 H31 N7 O7 Zn -","- C136 H124 N28 O28 Zn4 -","4","1","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.1108","0.071","","","0.1545","0.1646","","","","","","1.014","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232451","12.8262","0.0005","9.7712","0.0004","11.9065","0.0005","90","","94.822","0.001","90","","1486.93","0.1","99.96","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(en-N)(en-N,N')](NO3)2","(ethylenediamine-N)-bis(ethylenediamine-N,N')-copper(II) bis(nitrate)","","- C6 H24 Cu N8 O6 -","- C6 H24 Cu N8 O6 -","- C24 H96 Cu4 N32 O24 -","4","1","","Sharma, Jai; Jiang, Zhelong; Bhutani, Ankita; Behera, Piush; Shoemaker, Daniel P.","A unique copper coordination structure with both mono- and bi-dentate ethylenediamine ligands","CrystEngComm","2019","21","17","2718","","10.1039/C8CE02188K","","x-ray","0.71073","MoKα","","0.0235","0.0204","","","0.0477","0.0489","","","","","","1.092","","","","has coordinates","223584","2020-10-21","18:00:00",""
"7232452","11.9283","0.0006","6.5439","0.0003","6.8123","0.0003","90","","105.114","0.002","90","","513.36","0.04","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0483","0.0437","","","0.1189","0.1223","","","","","","1.079","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232453","20.5483","0.0012","16.1886","0.001","4.8655","0.0002","90","","90","","90","","1618.5","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 Ag2 N6 O7 -","- C11 H14 Ag2 N6 O7 -","- C44 H56 Ag8 N24 O28 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0318","0.025","","","0.0584","0.0626","","","","","","1.027","","","","has coordinates,has disorder","223736","2020-10-21","18:00:00",""
"7232454","6.1112","0.0003","9.566","0.0005","10.6221","0.0006","63.173","0.002","82.885","0.002","89.971","0.002","548.79","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","1","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0211","0.0204","","","0.0477","0.048","","","","","","1.052","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232455","10.6098","0.0004","7.332","0.0003","16.7744","0.0007","90","","101.451","0.002","90","","1278.92","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 N4 O6 S2 -","- C24 H24 Ag2 N4 O6 S2 -","- C48 H48 Ag4 N8 O12 S4 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0642","0.0474","","","0.1134","0.1239","","","","","","1.05","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232456","13.5975","0.0007","13.8536","0.0007","19.2691","0.0009","90","","92.402","0.003","90","","3626.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C124 H128 Ag8 Cl8 F24 N48 Si4 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0791","0.0468","","","0.1132","0.1259","","","","","","1.048","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232457","9.8391","0.0004","6.9334","0.0003","10.9235","0.0005","90","","103.517","0.002","90","","724.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag2 N6 O6 -","- C10 H10 Ag2 N6 O6 -","- C20 H20 Ag4 N12 O12 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0205","0.0194","","","0.0446","0.0454","","","","","","1.049","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232458","31.402","0.006","21.109","0.004","31.916","0.006","90","","112.57","0.03","90","","19536","8","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C122 H72 Co4 N16 O16 -","- C122 H72 Co4 N16 O16 -","- C488 H288 Co16 N64 O64 -","4","1","","Hua, Carol; D'Alessandro, Deanna M.","Electrochemical and spectroscopic properties of a cobalt framework with (3,7)-c topology","CrystEngComm","2019","21","14","2381","","10.1039/C9CE00050J","","","0.71073","Synchrotron","","0.0924","0.0751","","","0.2312","0.2443","","","","","","1.086","","","","has coordinates","223644","2020-10-21","18:00:00",""
"7232459","12.1508","0.0008","14.253","0.0008","14.6096","0.0015","109.838","0.002","105.079","0.002","105.393","0.002","2116.6","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0561","0.0354","","","0.0804","0.0887","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232460","7.3028","0.0001","9.9693","0.0002","12.9323","0.0002","97.374","0.001","99.698","0.001","92.89","0.001","917.89","0.03","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.025","0.0241","","","0.0585","0.0591","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232461","12.4212","0.0004","14.1095","0.0005","15.4139","0.0008","105.001","0.002","101.599","0.002","111.566","0.001","2290.95","0.17","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0724","0.0522","","","0.1275","0.1409","","","","","","0.994","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232462","7.4499","0.0003","9.9281","0.0004","12.0888","0.0005","88.806","0.001","72.724","0.001","84.926","0.001","850.43","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0239","0.0231","","","0.0548","0.0552","","","","","","1.091","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232463","23.888","0.0006","14.0385","0.0003","9.7174","0.0003","90","","97.927","0.001","90","","3227.61","0.15","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H36 Cd N4 O12 S2 -","- C26 H36 Cd N4 O12 S2 -","- C104 H144 Cd4 N16 O48 S8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0675","0.0567","","","0.1532","0.1634","","","","","","1.069","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232464","9.5864","0.0001","12.4322","0.0002","15.9217","0.0002","69.205","0.001","72.478","0.001","73.295","0.001","1656.57","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cd N6 O12 -","- C28 H38 Cd N6 O12 -","- C56 H76 Cd2 N12 O24 -","2","2","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0533","0.0467","","","0.1237","0.1304","","","","","","1.079","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232465","16.927","0.012","11.672","0.012","5.263","0.004","90","","107.16","0.01","90","","993.5","1.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi3 Fe Mo2 O12 -","- Bi3 Fe Mo2 O12 -","- Bi12 Fe4 Mo8 O48 -","4","0.5","","Li, Conggang; Gao, Zeliang; Tian, Xiangxin; Zhang, Junjie; Ju, Dianxing; Wu, Qian; Lu, Weiqun; Sun, Youxuan; Cui, Deliang; Tao, Xutang","Bulk crystal growth and characterization of the bismuth ferrite-based material Bi3FeO4(MoO4)2","CrystEngComm","2019","21","15","2508","","10.1039/C8CE02137F","","","0.71073","MoKα","","0.0584","0.0482","","","0.1203","0.1254","","","","","","1.018","","","","has coordinates","223678","2020-10-21","18:00:00",""
"7232466","9.6376","0.0009","8.3094","0.0008","14.8885","0.0014","90","","92.042","0.001","90","","1191.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Tang, Zhi; Tong, Zhou; Xu, Zhihui; Au, Chak-Tong; Qiu, Renhua; Yin, Shuang-Feng","Recyclable nickel-catalyzed C‒H/O‒H dual functionalization of phenols with mandelic acids for the synthesis of 3-aryl benzofuran-2(3H)-ones under solvent-free conditions","Green Chemistry","2019","21","8","2015","","10.1039/C9GC00305C","","","0.71073","MoKα","","0.0481","0.0407","","","0.1062","0.1111","","","","","","1.071","","","","has coordinates","224600","2020-10-21","18:00:00",""
"7232467","12.768","0.003","14.165","0.003","13.588","0.003","90","","111.994","0.006","90","","2278.7","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl4 Ir N3 O -","- C19 H26 Cl4 Ir N3 O -","- C76 H104 Cl16 Ir4 N12 O4 -","4","1","","Chakrabarti, Kaushik; Maji, Milan; Kundu, Sabuj","Cooperative iridium complex-catalyzed synthesis of quinoxalines, benzimidazoles and quinazolines in water","Green Chemistry","2019","21","8","1999","","10.1039/C8GC03744B","","","0.71073","MoKα","","0.0257","0.0228","","","0.0573","0.0591","","","","","","1.069","","","","has coordinates","224603","2020-10-21","18:00:00",""
"7232468","9.9995","0.0003","10.3691","0.0003","12.6092","0.0003","90","","101.192","0.001","90","","1282.53","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 O3 -","- C13 H17 N2 O3 -","- C52 H68 N8 O12 -","4","1","","Sun, Zhen; Li, Zheng; Liao, Wei-Wei","An organocatalytic hydroalkoxylation/Claisen rearrangement/Michael addition tandem sequence: divergent synthesis of multi-substituted 2,3-dihydrofurans and 2,3-dihydropyrroles from cyanohydrins","Green Chemistry","2019","21","7","1614","","10.1039/C8GC03978J","","","0.71073","MoKα","","0.0602","0.0589","","","0.1366","0.1374","","","","","","1.09","","","","has coordinates","224623","2020-10-21","18:00:00",""
"7232469","12.28107","0.00012","25.8112","0.0003","11.74661","0.00012","90","","102.728","0.001","90","","3632.05","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C104 H168 Ag20 F12 N6 O8 S16 -","4","1","","Wang, Jie; Li, Yan-Ling; Wang, Zhao-Yang; Zang, Shuang-Quan","A robust wave-like silver‒thiolate chain based metal‒organic network: synthesis, structure and luminescence","CrystEngComm","2019","21","14","2264","","10.1039/C9CE00054B","","x-ray","1.54184","CuKα","","0.0546","0.0518","","","0.1369","0.1389","","","","","","1.047","","","","has coordinates,has disorder","223647","2020-10-21","18:00:00",""
"7232470","23.393","0.01","9.538","0.004","15.832","0.007","90","","90","","90","","3532","3","203","2","203","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","0.5","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.1744","0.0866","","","0.2404","0.2946","","","","","","1.054","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232471","7.727","0.002","11.231","0.003","17.977","0.005","73.848","0.004","79.22","0.004","86.104","0.004","1471.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F6 I2 N2 O4 -","- C28 H24 F6 I2 N2 O4 -","- C56 H48 F12 I4 N4 O8 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0533","0.0452","","","0.1425","0.1596","","","","","","1.045","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232472","9.613","0.0006","15.5774","0.001","16.88","0.0011","69.045","0.002","76.089","0.002","82.935","0.002","2289.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 F8 I2 N4 O7 -","- C39 H46 F8 I2 N4 O7 -","- C78 H92 F16 I4 N8 O14 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0656","0.0588","","","0.1639","0.1694","","","","","","1.071","","","","has coordinates,has disorder","223610","2020-10-21","18:00:00",""
"7232473","9.3189","0.0003","16.8147","0.0005","18.319","0.0006","116.249","0.001","96.238","0.001","100.841","0.001","2467.84","0.14","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 F6 I3 N4 O6 -","- C43 H46 F6 I3 N4 O6 -","- C86 H92 F12 I6 N8 O12 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0514","0.0359","","","0.0827","0.0919","","","","","","1.032","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232474","8.6303","0.0002","14.1861","0.0004","31.0691","0.0009","90","","93.665","0.001","90","","3796.02","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N4 O10 -","- C38 H50 N4 O10 -","- C152 H200 N16 O40 -","4","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0749","0.0634","","","0.1737","0.186","","","","","","1.034","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232475","43.58","0.009","41.907","0.008","12.364","0.002","90","","92.96","0.03","90","","22550","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris-silver-bis-N,N?,N?-tris(2-(pyridin-4-yl)ethyl)-1,3,5-benzenetricarboxamide triflate","","- C63 H60 Ag3 F9 N12 O15 S3 -","- C62 H60 Ag3 F6 N12 O12 S2 -","- C496 H480 Ag24 F48 N96 O96 S16 -","8","1","","Lee, Daseul; Kim, Dongwon; Lee, Haeri; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Adsorption of anthracene substitutes into suprachannels: bulk vs. included guests","CrystEngComm","2019","21","14","2303","","10.1039/C8CE02185F","","","0.75","synchrotron","","0.1514","0.1324","","","0.4096","0.4536","","","","","","1.99","","","","has coordinates,has disorder","223648","2020-10-21","18:00:00",""
"7232476","4.4942","0.0006","16.396","0.002","9.0283","0.0012","90","","89.977","0.007","90","","665.27","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0826","0.0389","","","0.0672","0.0739","","","","","","0.761","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232477","5.2351","0.0003","22.4779","0.0013","8.4174","0.0005","90","","94.301","0.004","90","","987.72","0.1","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0681","0.0482","","","0.106","0.1126","","","","","","1.047","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232478","4.5039","0.0001","16.389","0.0006","8.8561","0.0003","90","","91.271","0.002","90","","653.55","0.04","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71069","MoKα","","0.0418","0.0328","","","0.0893","0.0934","","","","","","1.076","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232479","5.2638","0.0007","22.58","0.003","8.5353","0.0011","90","","93.269","0.007","90","","1012.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.174","0.0742","","","0.2101","0.2378","","","","","","0.972","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232480","10.9713","0.0003","12.5068","0.0003","12.1087","0.0003","90","","90.476","0.001","90","","1661.45","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Hg I2 N3 O2 -","- C12 H13 Hg I2 N3 O2 -","- C48 H52 Hg4 I8 N12 O8 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0587","0.0552","","","0.1217","0.1229","","","","","","1.37","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232481","7.9879","0.0014","13.791","0.002","12.334","0.002","90","","93.939","0.002","90","","1355.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 Hg N3 O -","- C11 H9 Br2 Hg N3 O -","- C44 H36 Br8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0846","0.0817","","","0.1776","0.1787","","","","","","1.421","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232482","7.9213","0.0006","13.4161","0.001","11.9553","0.0009","90","","95.349","0.002","90","","1264.99","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 Hg N3 O -","- C11 H9 Cl2 Hg N3 O -","- C44 H36 Cl8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0952","0.0926","","","0.2072","0.2081","","","","","","1.528","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232483","3.8737","0.0003","21.9191","0.0016","10.6759","0.0008","90","","95.751","0.002","90","","901.91","0.12","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 N6 O2 -","- C22 H18 N6 O2 -","- C44 H36 N12 O4 -","2","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0408","0.0346","","","0.0789","0.0817","","","","","","1.054","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232484","8.0392","0.0007","14.4602","0.0012","12.4285","0.001","90","","92.449","0.002","90","","1443.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd I2 N3 O -","- C11 H9 Cd I2 N3 O -","- C44 H36 Cd4 I8 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0698","0.0601","","","0.1187","0.1242","","","","","","1.177","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232485","12.3192","0.0003","22.2133","0.0006","24.4657","0.0013","90","","94.038","0.004","90","","6678.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H126 N18 Ni13 O98 P2 W18 -","- C32 H92 N18 Ni13 O98 P2 W18 -","- C64 H184 N36 Ni26 O196 P4 W36 -","2","0.5","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.14","0.0862","","","0.1918","0.2179","","","","","","1.064","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232486","13.3441","0.0003","14.2773","0.0003","36.0138","0.0011","90","","90","","90","","6861.3","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H67 N10 Ni7 O53 P W9 -","- C18 H47 N10 Ni7 O53 P W9 -","- C72 H188 N40 Ni28 O212 P4 W36 -","4","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.057","0.051","","","0.1105","0.1137","","","","","","1.042","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232487","21.5089","0.0016","21.5089","0.0016","58.751","0.005","90","","90","","120","","23539","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.67 H32 N6.67 Ni5 O33.67 P0.67 W6 -","- C16.6667 H4 N6.66667 Ni5 O33.6667 P0.666667 W6 -","- C300 H72 N120 Ni90 O606 P12 W108 -","18","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.0941","0.0712","","","0.2003","0.2162","","","","","","1.044","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232488","13.2457","0.0005","11.445","0.0005","13.8215","0.0006","90","","101.881","0.001","90","","2050.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co3 N6 O18 -","- C40 H30 Co3 N6 O18 -","- C80 H60 Co6 N12 O36 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0467","0.0344","","","0.0833","0.0882","","","","","","1.041","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232489","13.306","0.006","9.76","0.004","18.493","0.008","90","","93.339","0.007","90","","2397.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Co3 N6 O16 -","- C46 H42 Co3 N6 O16 -","- C92 H84 Co6 N12 O32 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0554","0.0457","","","0.1359","0.1519","","","","","","1.089","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232490","25.3565","0.0011","9.444","0.0004","18.7778","0.0008","90","","105.363","0.001","90","","4336","0.3","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl2 Co3 N4 O14 -","- C40 H30 Cl2 Co3 N4 O14 -","- C160 H120 Cl8 Co12 N16 O56 -","4","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0462","0.0365","","","0.0889","0.0934","","","","","","1.026","","","","has coordinates,has disorder","223680","2020-10-21","18:00:00",""
"7232491","19.2963","0.0004","16.3762","0.0004","11.0039","0.0002","90","","90","","90","","3477.23","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 O6 -","- C38 H50 O6 -","- C152 H200 O24 -","4","1","","Wu, Zhong-Nan; Niu, Qian-Wen; Zhang, Yu-Bo; Luo, Ding; Li, Qing-Guo; Li, Ying-Ying; Kuang, Guang-Kai; He, Li-Jun; Wang, Guo-Cai; Li, Yao-Lan","Hyperpatulones A‒F, polycyclic polyprenylated acylphloroglucinols from Hypericum patulum and their cytotoxic activities","RSC Advances","2019","9","14","7961","","10.1039/C9RA00277D","","x-ray","1.54184","CuKα","","0.0972","0.0809","","","0.2226","0.231","","","","","","1.147","","","","has coordinates","214106","2020-10-21","18:00:00",""
"7232492","11.921","0.003","16.418","0.004","10.642","0.002","90","","104.408","0.005","90","","2017.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","F5BAI-PyrThio2","","- C21 H9 F5 I N S2 -","- C21 H9 F5 I N S2 -","- C84 H36 F20 I4 N4 S8 -","4","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","0.71073","MoKα","K-L~3~","0.0306","0.0234","","","0.05","0.0526","","","","","","1.029","","","","has coordinates,has disorder","223618","2020-10-21","18:00:00",""
"7232493","8.698","0.0015","10.4998","0.0015","12.215","0.002","86.922","0.007","70.756","0.006","68.527","0.004","977.3","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","F5BAI-PyrFur2","","- C21 H9 F5 I N O2 -","- C21 H9 F5 I N O2 -","- C42 H18 F10 I2 N2 O4 -","2","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","223618","2020-10-21","18:00:00",""
"7232494","15.827","0.005","13.169","0.005","10.544","0.004","90","","106.918","0.006","90","","2102.5","1.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Wang, Hai-Yan; Kong, Lin; Zhu, Shu-Juan; Zhou, Hong-Ping; Yang, Jia-Xiang","Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external environments","CrystEngComm","2019","21","17","2736","","10.1039/C8CE01940A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1002","0.113","","","","","","1.038","","","","has coordinates","223585","2020-10-21","18:00:00",""
"7232495","5.01554","0.00007","7.52021","0.00007","15.90107","0.00016","90","","90","","90","","599.755","0.012","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O4 -","- C5 H10 O4 -","- C20 H40 O16 -","4","1","","Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.","Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass","Green Chemistry","2019","21","8","2035","","10.1039/C9GC00448C","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.0658","0.0662","","","","","","0.911","","","","has coordinates","224599","2020-10-21","18:00:00",""
"7232496","22.3597","0.0005","5.5295","0.0002","9.5976","0.0002","90","","90.661","0.002","90","","1186.55","0.06","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O4 -","- C12 H13 Br O4 -","- C48 H52 Br4 O16 -","4","1","","Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.","Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass","Green Chemistry","2019","21","8","2035","","10.1039/C9GC00448C","","x-ray","1.54184","CuKα","","0.0227","0.0224","","","0.0599","0.0604","","","","","","1.021","","","","has coordinates","224599","2020-10-21","18:00:00",""
"7232497","7.4674","0.0016","15.866","0.003","24.954","0.006","97.734","0.009","93.796","0.012","93.228","0.008","2916.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pimelic acid_isonicotinamide (1:2) cocrystal","","","- C57 H72 N12 O18 -","- C57 H72 N12 O18 -","- C114 H144 N24 O36 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.0418","0.0357","","","0.1098","0.1151","","","","","","1.032","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232498","7.6025","0.0005","8.5644","0.0004","17.657","0.0009","91.672","0.004","95.094","0.005","103.671","0.005","1111.18","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Azelaic acid_isonicotinamide 1:2 cocrystal","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C42 H56 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1146","0.0689","","","0.1602","0.1881","","","","","","0.902","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232499","7.38","0.03","8.39","0.03","9.02","0.03","92.46","0.05","96.65","0.04","91.65","0.04","554","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sebacic acid: isonicotinamide 1:2 cocrystal","","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1648","0.0936","","","0.1967","0.2502","","","","","","1.065","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232500","7.69","0.012","8.987","0.015","16.77","0.03","96.724","0.006","96.41","0.02","115.163","0.015","1025","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Suberic acid_isonicotinamide (1:2) cocrystal","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1018","0.068","","","0.1654","0.1971","","","","","","1.111","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232501","13.2422","0.0007","8.708","0.0005","29.4352","0.0016","90","","96.42","0.003","90","","3373","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C152 H160 N32 O16 -","8","2","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D‒π‒A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0435","0.0369","","","0.0944","0.0985","","","","","","1.043","","","","has coordinates","214183","2020-10-21","18:00:00",""
"7232502","9.0183","0.0007","8.379","0.0007","23.0425","0.0018","90","","97.233","0.004","90","","1727.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D‒π‒A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0392","0.0366","","","0.0943","0.0962","","","","","","1.051","","","","has coordinates","214183","2020-10-21","18:00:00",""
"7232503","17.5573","0.001","6.3237","0.0004","33.7271","0.0019","90","","90","","90","","3744.6","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C168 H176 N32 O24 -","8","2","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D‒π‒A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0382","0.0362","","","0.0945","0.0958","","","","","","1.058","","","","has coordinates","214183","2020-10-21","18:00:00",""
"7232504","16.0893","0.0006","6.8295","0.0003","18.8185","0.0008","90","","90","","90","","2067.81","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cd Cl3 N -","- C5 H14 Cd Cl3 N -","- C40 H112 Cd8 Cl24 N8 -","8","1","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.066","0.0555","","","0.1624","0.1704","","","","","","1.03","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232505","9.5032","0.0003","9.5032","0.0003","6.8345","0.0004","90","","90","","120","","534.54","0.04","363","2","363","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C5 H14 Cd Cl3 N -","- C5 H13.92 Cd Cl3 N -","- C10 H27.84 Cd2 Cl6 N2 -","2","0.0833333","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.0423","0.0383","","","0.1166","0.1219","","","","","","1.008","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232506","18.2461","0.001","10.1265","0.0006","23.6108","0.0014","90","","91.8549","0.0018","90","","4360.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H68 N2 O5 -","- C48 H68 N2 O5 -","- C192 H272 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0734","0.055","","","0.1315","0.1457","","","","","","1.073","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232507","12.4123","0.0006","11.9482","0.0006","16.985","0.0008","90","","110.83","0.002","90","","2354.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H78 N2 O5 -","- C53 H78 N2 O5 -","- C106 H156 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.037","0.0315","","","0.0687","0.0716","","","","","","1.087","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232508","12.1746","0.0009","12.1005","0.0009","16.8114","0.0012","90","","103.777","0.004","90","","2405.4","0.3","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 N2 O5 -","- C54 H80 N2 O5 -","- C108 H160 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0557","0.0435","","","0.0839","0.0892","","","","","","1.107","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232509","18.4512","0.0005","10.2622","0.0003","25.1817","0.0007","90","","109.629","0.0014","90","","4491.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 N2 O5 -","- C50 H72 N2 O5 -","- C200 H288 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0663","0.0506","","","0.1208","0.1291","","","","","","1.029","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232510","19.0707","0.0009","11.2605","0.0005","21.8074","0.001","90","","96.848","0.003","90","","4649.6","0.4","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H76 N2 O5 -","- C52 H76 N2 O5 -","- C208 H304 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0509","0.0441","","","0.0967","0.1006","","","","","","1.059","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232511","6.1434","0.0006","18.1087","0.0017","39.29","0.004","90","","90","","90","","4371","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H70 N2 O5 -","- C49 H70 N2 O5 -","- C196 H280 N8 O20 -","4","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.1018","0.0992","","","0.2103","0.2115","","","","","","1.12","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232512","7.8033","0.0016","10.566","0.002","5.7294","0.0011","90","","90","","90","","472.39","0.16","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd2 F2 O3 Se -","- Cd2 F2 O3 Se -","- Cd8 F8 O12 Se4 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0354","0.0343","","","0.0824","0.083","","","","","","1.246","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232513","7.2758","0.0015","10.042","0.002","5.2562","0.0011","90","","90","","90","","384.04","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 O3 Se Zn2 -","- F2 O3 Se Zn2 -","- F8 O12 Se4 Zn8 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0244","0.0242","","","0.0621","0.0622","","","","","","1.255","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232514","7.1261","0.0004","8.1012","0.0006","18.5115","0.0009","90","","90","","90","","1068.67","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0452","0.034","","","0.0753","0.0882","","","","","","1.084","","","","has coordinates","224633","2020-10-21","18:00:00",""
"7232515","6.7087","0.0003","8.9522","0.0003","10.805","0.0004","76.216","0.003","82.767","0.003","72.956","0.003","601.45","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C26 H32 Cl2 N2 O2 -","2","1","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0503","0.0448","","","0.1192","0.1236","","","","","","1.075","","","","has coordinates","224633","2020-10-21","18:00:00",""
"7232516","10.0679","0.0003","8.2104","0.0003","28.6875","0.0009","90","","98.842","0.003","90","","2343.17","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C104 H128 Cl8 N8 O8 -","8","2","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0485","0.0423","","","0.1183","0.1261","","","","","","1.048","","","","has coordinates","224633","2020-10-21","18:00:00",""
"7232517","4.9698","0.0001","9.7925","0.0003","34.4713","0.0009","90","","90","","90","","1677.61","0.08","119.9","0.6","119.9","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N3 O2 P -","- C16 H17 F3 N3 O2 P -","- C64 H68 F12 N12 O8 P4 -","4","1","","Akbari, Setareh; Khoshnood, Razieh Sanavi; Ahmadabad, Fatemeh Karimi; Pourayoubi, Mehrdad; Dušek, Michal; Shchegravina, Ekaterina S.","The (CF3C(O)NH)(C6H5CH2NH)2P(O) phosphoric triamide as a novel carrier with excellent efficiency for Cu(ii) in a liquid membrane transport system","RSC Advances","2019","9","16","9153","","10.1039/C8RA09118H","","x-ray","1.5418","CuKα","","0.0382","0.0323","","","0.0783","0.0815","","","","1.3","1.3","1.28","","","","has coordinates","214210","2020-10-21","18:00:00",""
"7232518","30.369","0.009","11.838","0.004","36.838","0.011","90","","107.677","0.004","90","","12618","7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Cu2 F12 N15 O13 S8 -","- C32 H43 Cu2 F12 N15 O13 S8 -","- C256 H344 Cu16 F96 N120 O104 S64 -","8","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0606","0.0509","","","0.1173","0.1211","","","","","","1.065","","","","has coordinates,has disorder","214211","2020-10-21","18:00:00",""
"7232519","12.1424","0.0017","15.372","0.002","14.688","0.002","90","","90.086","0.002","90","","2741.6","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 F6 N7 O8 S4 Zn -","- C15 H23 F6 N7 O8 S4 Zn -","- C60 H92 F24 N28 O32 S16 Zn4 -","4","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0297","0.0246","","","0.0615","0.0648","","","","","","1.066","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232520","12.995","0.004","13.604","0.004","14.336","0.004","90","","108.24","0.004","90","","2407","1.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 F12 N14 O14 S8 Zn2 -","- C26 H34 F12 N14 O14 S8 Zn2 -","- C52 H68 F24 N28 O28 S16 Zn4 -","2","0.5","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0574","0.0424","","","0.1069","0.1171","","","","","","1.065","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232521","9.406","0.003","12.823","0.004","42.578","0.014","90","","95.368","0.005","90","","5113","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cu2 F12 N14 O14 S8 -","- C28 H36 Cu2 F12 N14 O14 S8 -","- C112 H144 Cu8 F48 N56 O56 S32 -","4","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.1586","0.1148","","","0.2856","0.3171","","","","","","1.024","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232522","13.697","0.003","14.759","0.003","18.746","0.004","90","","109.166","0.003","90","","3579.5","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N14 O3 S4 Zn2 -","- C25 H38 N14 O3 S4 Zn2 -","- C100 H152 N56 O12 S16 Zn8 -","4","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0581","0.0361","","","0.0821","0.0916","","","","","","1.025","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232523","9.13","0.011","10.446","0.01","11.101","0.009","90","","106.63","0.04","90","","1014.4","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H32 B18 Co N -","- C7 H32 B18 Co N -","- C14 H64 B36 Co2 N2 -","2","0.25","","Bennour, Ines; Cioran, Ana M.; Teixidor, Francesc; Viñas, Clara","3,2,1 and stop! An innovative, straightforward and clean route for the flash synthesis of metallacarboranes","Green Chemistry","2019","21","8","1925","","10.1039/C8GC03943G","","","0.71073","MoKα","","0.0694","0.0676","","","0.1723","0.1741","","","","","","1.154","","","","has coordinates","224601","2020-10-21","18:00:00",""
"7232524","13.6221","0.0018","5.507","0.001","16.919","0.002","90","","100.303","0.011","90","","1248.7","0.3","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Br2 F4 N6 O2 Zn -","- C22 H14 Br2 F4 N6 O2 Zn -","- C44 H28 Br4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.071","0.0615","","","0.1342","0.1512","","","","","","1.01","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232525","13.349","0.005","5.3648","0.0013","17.035","0.006","90","","101.02","0.03","90","","1197.5","0.7","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Cl2 F4 N6 O2 Zn -","- C22 H14 Cl2 F4 N6 O2 Zn -","- C44 H28 Cl4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.0915","0.09","","","0.1417","0.1591","","","","","","1.012","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232526","8.1277","0.0008","12.0713","0.0016","25.815","0.002","90","","95.384","0.007","90","","2521.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 I2 N6 O2 Zn -","- C22 H14 F4 I2 N6 O2 Zn -","- C88 H56 F16 I8 N24 O8 Zn4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.09","0.0787","","","0.1184","0.1429","","","","","","1.001","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232527","10.6277","0.0009","9.1356","0.0007","14.4964","0.0013","90","","104.143","0.005","90","","1364.8","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","X-32","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.0634","0.0554","","","0.137","0.1431","","","","","","1.048","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232528","10.7928","0.0004","10.793","","23.011","0.001","90","","90","","90","","2680.48","0.15","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-55","","- C30 H36 O6 -","- C30 H36 O6 -","- C120 H144 O24 -","4","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.0527","0.0371","","","0.0924","0.0985","","","","","","1.03","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232529","9.7328","0.0004","16.8465","0.0009","18.139","0.001","90","","90","","90","","2974.1","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-73","","- C32 H41 O6 -","- C32 H41 O6 -","- C128 H164 O24 -","4","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.125","0.0948","","","0.2535","0.2836","","","","","","1.065","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232530","9.8073","0.0007","10.2949","0.0007","15.0299","0.0008","89.515","0.005","89.492","0.005","66.462","0.007","1391.16","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O2 P S -","- C29 H23 Cu N5 O2 P S -","- C58 H46 Cu2 N10 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1211","0.0628","","","0.1495","0.1886","","","","","","1.047","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232531","9.8681","0.0013","10.5055","0.0014","15.218","0.002","86.886","0.011","88.725","0.011","66.073","0.013","1439.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O P S2 -","- C29 H23 Cu N5 O P S2 -","- C58 H46 Cu2 N10 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1436","0.0669","","","0.1619","0.2435","","","","","","1.021","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232532","9.796","0.0015","12.651","0.003","12.905","0.002","63.694","0.019","84.05","0.014","71.894","0.016","1361.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O P S5 -","- C24 H18 Cu N4 O P S5 -","- C48 H36 Cu2 N8 O2 P2 S10 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1478","0.0913","","","0.2331","0.3017","","","","","","1.013","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232533","9.8303","0.0007","12.5727","0.0012","12.6202","0.0012","65.192","0.009","85.784","0.007","71.776","0.008","1341.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O2 P S4 -","- C24 H18 Cu N4 O2 P S4 -","- C48 H36 Cu2 N8 O4 P2 S8 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1034","0.0583","","","0.1239","0.1492","","","","","","1","","","","has coordinates,has disorder","223609","2020-10-21","18:00:00",""
"7232534","14.141","0.003","15.307","0.003","19.905","0.004","67.42","0.03","77.79","0.03","83.87","0.03","3886.7","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","nicosulfuron","","- C15 H20 N6 O7 S -","- C15 H20 N6 O7 S -","- C120 H160 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1333","0.0873","","","0.2068","0.2401","","","","","","1.125","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232535","23.197","0.005","14.331","0.003","13.596","0.003","90","","112.54","0.03","90","","4174.5","1.8","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N7 O6 S -","- C17 H21 N7 O6 S -","- C136 H168 N56 O48 S8 -","8","1","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.0785","0.0595","","","0.1226","0.1328","","","","","","1.142","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232536","7.8533","0.0016","20.401","0.004","25.859","0.005","85.55","0.03","83.76","0.03","85.07","0.03","4093.5","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 S -","- C16 H22 N6 O7 S -","- C128 H176 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1316","0.0684","","","0.156","0.1946","","","","","","0.988","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232537","18.96","0.003","6.7993","0.0011","29.935","0.005","90","","91.638","0.014","90","","3857.5","1.1","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","PRX-OXA","Paroxetine oxalate","","- C40 H44 F2 N2 O11 -","- C40 H42 F2 N2 O11 -","- C160 H168 F8 N8 O44 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","x-ray","0.71073","MoKα","","0.1338","0.0774","","","0.2097","0.2645","","","","","","1.021","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232538","7.2223","0.0003","7.995","0.001","18.538","0.002","78.672","0.01","82.396","0.005","85.86","0.007","1039.17","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-FUM","Paroxetine fumarate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C46 H48 F2 N2 O14 -","2","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0432","0.0394","","","0.1026","0.1061","","","","","","1.048","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232539","14.3395","0.0017","7.9557","0.0009","19.608","0.002","90","","97.036","0.002","90","","2220.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","PRX-TART","Paroxetine tartrate","","- C23 H27 F N O9.5 -","- C23 H27 F N O9.5 -","- C92 H108 F4 N4 O38 -","4","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.052","0.0414","","","0.0961","0.1024","","","","","","1.037","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232540","11.629","0.002","11.649","0.002","17.584","0.005","77.74","0.004","77.333","0.004","71.079","0.003","2172.6","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-MAL","Paroxetine maleate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C92 H96 F4 N4 O28 -","4","4","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0666","0.0654","","","0.1687","0.1708","","","","","","1.04","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232541","12.469","0.004","6.265","0.002","17.738","0.006","90","","96.553","0.018","90","","1376.6","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N Se -","- C15 H12 Br N Se -","- C60 H48 Br4 N4 Se4 -","4","1","","Rathore, Vandana; Kumar, Sangit","Visible-light-induced metal and reagent-free oxidative coupling of sp2 C‒H bonds with organo-dichalcogenides: synthesis of 3-organochalcogenyl indoles","Green Chemistry","2019","21","10","2670","","10.1039/C9GC00007K","","","0.71073","MoKα","","0.0825","0.0487","","","0.1036","0.1188","","","","","","1.016","","","","has coordinates","224595","2020-10-21","18:00:00",""
"7232542","8.8883","0.0009","9.4264","0.0009","12.0358","0.0012","71.714","0.006","80.483","0.007","80.791","0.007","937.99","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Para-bromobenzoyl-N'(1,10-phenanthrolin-5-yl)-thiourea","","- C20 H13 Br N4 O S -","- C20 H13 Br N4 O S -","- C40 H26 Br2 N8 O2 S2 -","2","1","","Tan, Siew San; Yanagisawa, Susumu; Inagaki, Kouji; Kassim, Mohammad B.; Morikawa, Yoshitada","Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N,N'-chelate ligands: the origin of changes in absorption spectra upon oxidation and reduction.","Physical chemistry chemical physics : PCCP","2019","21","15","7973","7988","10.1039/c8cp05016c","","","0.71073","MoKα","","0.076","0.038","","","0.0711","0.0822","","","","","","1.004","","","","has coordinates","225329","2020-10-21","18:00:00",""
"7232543","9.3936","0.0003","13.3227","0.0004","14.561","0.0004","70.316","0.002","88.607","0.002","80.167","0.002","1689.51","0.09","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C72 H64 N12 O8 -","2","1","","Chen, Shaojin; Zhang, Wenxuan; Liu, Wei; Ge, Zhaohai; Wang, Kun-Peng; Gan, Li-Hua; Hu, Zhi-Qiang","Binaphthanol-based organic fluorophores with color tunability and their optical properties","CrystEngComm","2019","21","17","2809","","10.1039/C9CE00170K","","x-ray","1.54178","CuKα","","0.0488","0.0455","","","0.1253","0.1311","","","","","","1.047","","","","has coordinates","223587","2020-10-21","18:00:00",""
"7232544","12.646","0.005","12.62","0.005","11.356","0.005","90","0.005","104.91","0.005","90","0.005","1751.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N5 O8 -","- C14 H16 Cl N5 O8 -","- C56 H64 Cl4 N20 O32 -","4","1","","Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts","RSC Advances","2019","9","17","9663","","10.1039/C9RA00666D","","","0.71073","MoKα","","0.0467","0.0406","","","0.1098","0.1148","","","","","","1.035","","","","has coordinates,has disorder","214401","2020-10-21","18:00:00",""
"7232545","10.873","0.005","17.015","0.005","15.789","0.005","90","0.005","93.762","0.005","90","0.005","2914.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N5 O2 -","- C14 H12 Cl N5 O2 -","- C112 H96 Cl8 N40 O16 -","8","1","","Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts","RSC Advances","2019","9","17","9663","","10.1039/C9RA00666D","","","0.71073","MoKα","","0.0442","0.0384","","","0.1032","0.1107","","","","","","1.038","","","","has coordinates,has disorder","214401","2020-10-21","18:00:00",""
"7232546","12.6386","0.0003","12.6389","0.0004","11.2764","0.0003","90","","104.983","0.001","90","","1740.03","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F4 N5 O4 -","- C14 H16 B F4 N5 O4 -","- C56 H64 B4 F16 N20 O16 -","4","1","","Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts","RSC Advances","2019","9","17","9663","","10.1039/C9RA00666D","","","0.71073","MoKα","","0.0491","0.0428","","","0.113","0.1185","","","","","","1.057","","","","has coordinates,has disorder","214401","2020-10-21","18:00:00",""
"7232547","23.832","0.004","7.711","0.001","19.479","0.003","90","","107.35","0.012","90","","3416.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C120 H136 N40 O32 -","8","2","","Zheng, Ya-Yun; Feng, Kai-Xiang; Xia, Ai-Bao; Liu, Jie; Tang, Cheng-Ke; Zhou, Zhan-Yu; Xu, Dan-Qian","Merging catalyst-free synthesis and iodine catalysis: one-pot synthesis of dihydrofuropyrimidines and spirodihydrofuropyrimidine pyrazolones","RSC Advances","2019","9","17","9770","","10.1039/C9RA01665A","","","1.34139","GaKα","","0.2324","0.1288","","","0.3391","0.4207","","","","","","1.093","","","","has coordinates","214402","2020-10-21","18:00:00",""
"7232548","18.8434","0.0007","9.6451","0.0003","12.5493","0.0005","90","","100.324","0.001","90","","2243.87","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N6 O3 -","- C24 H24 N6 O3 -","- C96 H96 N24 O12 -","4","1","","Zheng, Ya-Yun; Feng, Kai-Xiang; Xia, Ai-Bao; Liu, Jie; Tang, Cheng-Ke; Zhou, Zhan-Yu; Xu, Dan-Qian","Merging catalyst-free synthesis and iodine catalysis: one-pot synthesis of dihydrofuropyrimidines and spirodihydrofuropyrimidine pyrazolones","RSC Advances","2019","9","17","9770","","10.1039/C9RA01665A","","","0.71073","MoKα","","0.0786","0.0584","","","0.1537","0.1739","","","","","","1.048","","","","has coordinates","214402","2020-10-21","18:00:00",""
"7232549","8.0317","0.0004","8.7854","0.0005","11.9391","0.0007","90","","90.923","0.005","90","","842.33","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cr N2 Na O12 -","- C8 H18 Cr N2 Na O12 -","- C16 H36 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof","The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01043B","","","0.71073","MoKα","","0.0638","0.0334","","","0.063","0.069","","","","","","0.873","","","","has coordinates","214424","2020-10-21","18:00:00",""
"7232550","7.9504","0.0009","8.7582","0.001","11.853","0.0014","90","","90.989","0.01","90","","825.22","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cr N2 Na O12 -","- C8 H18 Cr N2 Na O12 -","- C16 H36 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof","The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01043B","","","0.71073","MoKα","","0.063","0.0334","","","0.0635","0.0681","","","","","","0.856","","","","has coordinates","214424","2020-10-21","18:00:00",""
"7232551","8.1644","0.0008","9.0972","0.001","12.2715","0.0013","90","","90.289","0.01","90","","911.43","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Al K N2 O12 -","- C8 H18 Al K N2 O12 -","- C16 H36 Al2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof","The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01043B","","","0.71073","MoKα","","0.1949","0.0611","","","0.0999","0.1533","","","","","","0.911","","","","has coordinates","214424","2020-10-21","18:00:00",""
"7232552","8.2054","0.0009","9.1089","0.0013","12.3423","0.0015","90","","90.377","0.01","90","","922.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cr K N2 O12 -","- C8 H18 Cr K N2 O12 -","- C16 H36 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof","The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01043B","","","0.71073","MoKα","","0.1543","0.0648","","","0.1012","0.1308","","","","","","1.108","","","","has coordinates","214424","2020-10-21","18:00:00",""
"7232553","8.1907","0.0005","9.0549","0.0007","12.2909","0.0008","90","","90.41","0.006","90","","911.54","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cr K N2 O12 -","- C8 H18 Cr K N2 O12 -","- C16 H36 Cr2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof","The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01043B","","","0.71073","MoKα","","0.1121","0.0439","","","0.0688","0.0856","","","","","","0.965","","","","has coordinates","214424","2020-10-21","18:00:00",""
"7232554","8.1568","0.0004","9.0289","0.0004","12.238","0.0006","90","","90.509","0.004","90","","901.26","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Al K N2 O12 -","- C8 H18 Al K N2 O12 -","- C16 H36 Al2 K2 N4 O24 -","2","0.5","","Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof","The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01043B","","","0.71073","MoKα","","0.0696","0.0368","","","0.0691","0.0832","","","","","","0.871","","","","has coordinates","214424","2020-10-21","18:00:00",""
"7232555","12.551","0.001","8.376","0.0004","13.0107","0.0009","90","","90","","90","","1367.78","0.16","297.4","0.3","297.4","","","","","","","","Mineral","4","P n m a","-P 2ac 2n","62","","Curite","","- H8 O32 Pb3.017 U8 -","- H8 O32 Pb3.016 U8 -","- H16 O64 Pb6.032 U16 -","2","0.25","","Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub","Revealing hydrogen atoms in a highly-absorbing material: an X-ray diffraction study and Torque method calculations for lead-uranyl-oxide mineral curite","RSC Advances","2019","9","18","10058","","10.1039/C8RA09557D","","x-ray","0.71073","MoKα","","0.0518","0.0358","","","0.0716","0.0758","","","","1.67","1.67","1.56","","","","has coordinates","214425","2020-10-21","18:00:00",""
"7232556","9.7009","0.0011","15.2187","0.0015","15.7698","0.0014","70.569","0.004","84.308","0.006","83.265","0.005","2175.9","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C90 H138 Ce2 O6 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0687","0.0399","","","0.0943","0.1071","","","","","","1.015","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232557","9.7113","0.0003","15.0872","0.0004","15.6649","0.0005","70.506","0.002","83.665","0.002","82.16","0.002","2138.2","0.11","160","2","160","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C90 H138 O6 Y2 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0682","0.0377","","","0.0864","0.0965","","","","","","1.005","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232558","9.691","0.0006","25.0295","0.0017","45.485","0.003","76.182","0.004","86.604","0.003","80.933","0.003","10577","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C450 H690 O30 Y10 -","10","5","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1354","0.0631","","","0.1284","0.1513","","","","","","1.014","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232559","9.7054","0.0005","25.1144","0.0012","17.7491","0.0009","92.271","0.003","91.056","0.003","98.699","0.003","4271.8","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C180 H276 O12 Y4 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1123","0.051","","","0.1048","0.1221","","","","","","1.032","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232560","9.648","0.0004","17.7941","0.0007","25.1982","0.001","92.202","0.002","97.768","0.002","91.001","0.002","4282","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C180 H276 Ce4 O12 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0461","0.0332","","","0.0749","0.08","","","","","","1.057","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232561","9.6914","0.0004","25.0653","0.001","35.4181","0.0014","92.297","0.002","91.122","0.002","98.89","0.002","8490.6","0.6","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C360 H552 O24 Y8 -","8","4","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1058","0.0572","","","0.1175","0.132","","","","","","1.056","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232562","29.844","0.009","13.822","0.004","19.654","0.007","90","","107.719","0.009","90","","7723","4","293","2","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Tetrabromovanadylporphyrin dimer","2,3,12,13-bromo-5,10,15,20-tetraphenylporphyrinatovanadium ?-oxodimer","","- C44 H24 Br4 N4 O0.5 V -","- C44 H24 Br4 N4 O0.5 V -","- C352 H192 Br32 N32 O4 V8 -","8","2","","Dar, Tawseef Ahmad; Tomar, Reshu; Mian, Rasel Mohammad; Sankar, Muniappan; Maurya, Mannar Ram","Vanadyl β-tetrabromoporphyrin: synthesis, crystal structure and its use as an efficient and selective catalyst for olefin epoxidation in aqueous medium","RSC Advances","2019","9","18","10405","","10.1039/C8RA09825E","","","0.71073","MoKα","","0.083","0.0475","","","0.0982","0.1144","","","","","","1.0924","","","","has coordinates","214461","2020-10-21","18:00:00",""
"7232563","10.892","0.003","35.883","0.01","7.838","0.002","90","","100.712","0.003","90","","3010","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Br6 N2 Pb2 -","- C16 H40 Br6 N2 Pb2 -","- C64 H160 Br24 N8 Pb8 -","4","1","","Huang, Yuan; Yang, Jie; Li, Zi-jian; Qian, Kun; Sao, Feng","High-temperature ferroelastic phase transition in a perovskite-like complex: [Et4N]2[PbBr3]2","RSC Advances","2019","9","18","10364","","10.1039/C9RA00804G","","","0.71073","MoKα","","0.1002","0.064","","","0.1499","0.1612","","","","","","1.109","","","","has coordinates","214462","2020-10-21","18:00:00",""
"7232564","10.5952","0.0006","10.5952","0.0006","7.9539","0.0006","90","","90","","120","","773.27","0.09","393","2","393","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C8 H20 Br3 N Pb -","- C7.9968 H19.992 Br3 N0.9996 Pb -","- C15.9936 H39.984 Br6 N1.9992 Pb2 -","2","0.0833333","","Huang, Yuan; Yang, Jie; Li, Zi-jian; Qian, Kun; Sao, Feng","High-temperature ferroelastic phase transition in a perovskite-like complex: [Et4N]2[PbBr3]2","RSC Advances","2019","9","18","10364","","10.1039/C9RA00804G","","","1.54178","CuKα","","0.0826","0.0684","","","0.1252","0.1358","","","","","","1.089","","","","has coordinates,has disorder","214462","2020-10-21","18:00:00",""
"7232565","7.6945","0.0001","6.9868","0.0001","15.1284","0.0003","90","","90","","90","","813.3","0.02","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 Ag N O4 -","- C3 Ag N O4 -","- C24 Ag8 N8 O32 -","8","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0284","0.028","","","","0.0754","","","","","","1.111","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232566","6.8003","0.0002","11.3128","0.0003","15.4766","0.0005","108.407","0.003","91.535","0.003","99.86","0.003","1108.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Ag2 N6 O16 -","- C16 H16 Ag2 N6 O16 -","- C32 H32 Ag4 N12 O32 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.037","0.0355","","","","0.0989","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232567","9.661","0.0004","6.841","0.0003","14.3353","0.0007","90","","97.453","0.004","90","","939.43","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Cu N2 O10 -","- C6 H4 Cu N2 O10 -","- C24 H16 Cu4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0399","0.0383","","","","0.1056","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232568","14.482","0.0008","14.482","0.0008","21.7912","0.0009","90","","90","","120","","3957.9","0.3","293","2","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C78 H48 Fe2 N18 Na2 O30 -","- C78 H48 Fe2 N18 Na2 O30 -","- C156 H96 Fe4 N36 Na4 O60 -","2","0.166667","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0848","0.0717","","","","0.2312","","","","","","1.069","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232569","9.7318","0.0004","6.8338","0.0004","14.4055","0.0007","90","","98.472","0.004","90","","947.59","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Co N2 O10 -","- C6 H4 Co N2 O10 -","- C24 H16 Co4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0434","0.0416","","","","0.1141","","","","","","1.233","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232570","11.7176","0.0001","28.5764","0.0002","13.3497","0.0001","90","","100.097","0.001","90","","4400.87","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C176 H131 Fe4 N40 Na4 O57.88 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0448","0.0438","","","","0.1234","","","","","","1.035","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232571","5.9656","0.0001","12.4421","0.0001","16.3174","0.0002","90","","90","","90","","1211.15","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Methyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4-carboxylate)","","- C11 H10 Br N3 O2 -","- C11 H10 Br N3 O2 -","- C44 H40 Br4 N12 O8 -","4","1","","Yadav, Dolly; Singh, Nem; Kim, Tae Wu; Kim, Jae Young; Park, No-Joong; Baeg, Jin-Ook","Highly regioselective and sustainable solar click reaction: a new post-synthetic modified triazole organic polymer as a recyclable photocatalyst for regioselective azide‒alkyne cycloaddition reaction","Green Chemistry","2019","21","10","2677","","10.1039/C9GC00894B","","","0.71073","MoKα","","0.0599","0.046","","","0.1173","0.1298","","","","","","1.054","","","","has coordinates","224596","2020-10-21","18:00:00",""
"7232572","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232573","17.05","0.0007","9.8304","0.0004","9.3339","0.0003","90","","105.097","0.002","90","","1510.44","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C60 H84 N12 O8 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0115","3.84067","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232574","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232575","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers","CrystEngComm","2019","21","22","3395","","10.1039/C9CE00186G","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223491","2020-10-21","18:00:00",""
"7232576","4.2934","0.0003","6.2651","0.0004","13.2828","0.0008","101.118","0.005","96.9","0.005","98.117","0.005","343.05","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1034","0.1042","","","","","","1.137","","","","has coordinates,has disorder","223692","2020-10-21","18:00:00",""
"7232577","9.8371","0.0008","12.5539","0.001","21.3222","0.0015","90","","96.397","0.007","90","","2616.8","0.4","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 O4 -","- C28 H16 F4 I2 O4 -","- C112 H64 F16 I8 O16 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0865","0.0603","","","0.122","0.1334","","","","","","1.124","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232578","8.2542","0.0003","15.364","0.0005","10.5028","0.0005","90","","106.955","0.004","90","","1274.05","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 I2 O6 -","- C24 H20 F4 I2 O6 -","- C48 H40 F8 I4 O12 -","2","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0315","0.0238","","","0.0602","0.0644","","","","","","1.05","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232579","7.6135","0.0005","28.68","0.002","7.4414","0.0007","90","","98.956","0.007","90","","1605.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F4 I2 O3 -","- C14 H8 F4 I2 O3 -","- C56 H32 F16 I8 O12 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0811","0.0558","","","0.1105","0.1215","","","","","","1.196","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232580","8.1668","0.0005","8.4423","0.0006","10.8612","0.0005","100.288","0.005","105.696","0.005","110.297","0.006","644.64","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0402","0.0308","","","0.0723","0.0773","","","","","","1.143","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232581","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223605","2020-10-21","18:00:00",""
"7232582","14.9939","0.0003","16.3893","0.0003","6.8786","0.0001","90","","97.435","0.001","90","","1676.13","0.05","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br2 F N3 O2 -","- C16 H14 Br2 F N3 O2 -","- C64 H56 Br8 F4 N12 O8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.068","0.0577","","","0.1396","0.1536","","","","","","0.845","","","","has coordinates,has disorder","214559","2020-10-21","18:00:00",""
"7232583","14.8869","0.0003","16.2742","0.0003","7.568","0.00014","90","","105.434","0.0008","90","","1767.4","0.06","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 Cl2 N3 O2 -","- C16 H13 Br2 Cl2 N3 O2 -","- C64 H52 Br8 Cl8 N12 O8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0469","0.0453","","","0.1038","0.1049","","","","","","1.06","","","","has coordinates","214559","2020-10-21","18:00:00",""
"7232584","13.5124","0.0003","16.6954","0.0003","7.74975","0.00014","90","","106.569","0.001","90","","1675.71","0.06","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 F2 N3 O2 -","- C16 H13 Br2 F2 N3 O2 -","- C64 H52 Br8 F8 N12 O8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0535","0.0508","","","0.1224","0.1246","","","","","","1.024","","","","has coordinates","214559","2020-10-21","18:00:00",""
"7232585","5.7237","0.0002","16.2252","0.0007","8.9938","0.0004","90","","97.574","0.002","90","","827.95","0.06","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H15 Br2 N3 O2 -","- C16 H15 Br2 N3 O2 -","- C32 H30 Br4 N6 O4 -","2","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0766","0.0717","","","0.1801","0.1893","","","","","","1.098","","","","has coordinates","214559","2020-10-21","18:00:00",""
"7232586","12.029","0.003","14.609","0.003","11.379","0.002","90","","105.267","0.008","90","","1929.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F6 N4 O4 Pb -","- C19 H8 F6 N4 O4 Pb -","- C76 H32 F24 N16 O16 Pb4 -","4","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0631","0.0585","","","0.2327","0.2365","","","","","","1.112","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232587","8.6232","0.001","14.3867","0.0016","20.811","0.002","82.007","0.004","78.332","0.004","89.992","0.004","2502.8","0.5","258","2","258","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Er2 F12 N8 O19 -","- C40 H16 Er2 F12 N8 O19 -","- C80 H32 Er4 F24 N16 O38 -","2","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0894","0.0698","","","0.1815","0.1943","","","","","","1.12","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232588","36.599","0.0016","7.4499","0.0003","14.2144","0.0006","90","","101.811","0.003","90","","3793.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Mg N4 O5 -","- C19 H8 F6 Mg N4 O5 -","- C152 H64 F48 Mg8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0849","0.0489","","","0.1042","0.1219","","","","","","1.026","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232589","36.5822","0.0012","7.4122","0.0002","14.3145","0.0005","90","","101.916","0.002","90","","3797.8","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Fe N4 O5 -","- C19 H8 F6 Fe N4 O5 -","- C152 H64 F48 Fe8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0738","0.0439","","","0.0938","0.1082","","","","","","1.045","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232590","36.1261","0.001","7.4323","0.0002","14.6837","0.0004","90","","101.086","0.002","90","","3869","0.18","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 Cd F6 N4 O5 -","- C19 H8 Cd F6 N4 O5 -","- C152 H64 Cd8 F48 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0471","0.0328","","","0.067","0.0735","","","","","","1.056","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232591","36.737","0.007","7.4036","0.0015","14.345","0.003","90","","102.32","0.03","90","","3811.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 N4 O5 Zn -","- C19 H6 F6 N4 O5 Zn -","- C152 H48 F48 N32 O40 Zn8 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0888","0.0803","","","0.2313","0.2349","","","","","","1.107","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232592","7.8139","0.0003","12.9798","0.0006","14.228","0.0007","65.084","0.005","80.892","0.004","79.404","0.003","1281.12","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","(1'R*,2'R*,3R*,10b'R*)-1',1''-diphenyl-1',5',6',10b'-tetrahydrodispiro[indoline-3,3'-pyrrolo[2,1-a]isoquinoline-2',3''-pyrrolidine]-2,2'',5''-trione","","- C34 H27 N3 O3 -","- C34 H27 N3 O3 -","- C68 H54 N6 O6 -","2","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","x-ray","0.71073","MoKα","","0.0563","0.0423","","","0.0973","0.104","","","","","","1.041","","","","has coordinates","214579","2020-10-21","18:00:00",""
"7232593","9.5047","0.0006","11.4368","0.0007","23.899","0.002","90","","90","","90","","2597.9","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'S * ,2'S * ,3S * ,10b'S *)-1'',2'-diphenyl-6',10b'-dihydro-2'H,5'H-dispiro[indoline-3,3'-pyrrolo[2,1-a]isoquinoline-1',3''-pyrrolidine]-2,2'',5''-trione","","- C34 H27 N3 O3 -","- C34 H27 N3 O3 -","- C136 H108 N12 O12 -","4","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","","0.71073","MoKα","","0.0679","0.0451","","","0.0785","0.0875","","","","","","1.032","","","","has coordinates","214579","2020-10-21","18:00:00",""
"7232594","11.7916","0.0005","9.7185","0.0004","24.5997","0.001","90","","91.888","0.004","90","","2817.5","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'S * ,2'S * ,3S * ,10b'S * ) - 1''-phenyl - 2'-( pyridin-2-yl )- 6',10b'-dihydro-2H,2'H,5'H-dispiro [acenaphthylene-1,3'-pyrrolo[2,1-a]isoquinoline-1',3''-pyrrolidine]-2,2'',5''-trione","","- C37 H27 N3 O3 -","- C37 H27 N3 O3 -","- C148 H108 N12 O12 -","4","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","","0.71073","MoKα","","0.0607","0.044","","","0.0934","0.1022","","","","","","1.016","","","","has coordinates,has disorder","214579","2020-10-21","18:00:00",""
"7232595","5.61656","0.0001","18.3134","0.0003","22.9609","0.0006","90","","90","","90","","2361.72","0.08","104.4","","104.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O8 -","- C23 H34 O8 -","- C92 H136 O32 -","4","1","","Zhang, Tao; Zhang, Qiu-Bo; Fu, Lu; Li, Ling-Yu; Ma, Li-Yan; Si, Jin-Guang; Zhang, Hong-Wu; Wei, Jian-He; Yu, Shi-Shan; Zou, Zhong-Mei","New antiproliferative germacranolides from Carpesium divaricatum","RSC Advances","2019","9","20","11493","","10.1039/C9RA00478E","","","1.5418","CuKα","","0.0407","0.0384","","","0.0973","0.1","","","","","","1.025","","","","has coordinates","214608","2020-10-21","18:00:00",""
"7232596","9.8307","0.0012","17.7908","0.0013","27.106","0.002","90","","90","","90","","4740.7","0.8","109.45","0.1","109.45","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O9 -","- C24 H34 O9 -","- C192 H272 O72 -","8","2","","Zhang, Tao; Zhang, Qiu-Bo; Fu, Lu; Li, Ling-Yu; Ma, Li-Yan; Si, Jin-Guang; Zhang, Hong-Wu; Wei, Jian-He; Yu, Shi-Shan; Zou, Zhong-Mei","New antiproliferative germacranolides from Carpesium divaricatum","RSC Advances","2019","9","20","11493","","10.1039/C9RA00478E","","x-ray","1.54184","CuKα","","0.0494","0.0459","","","0.1181","0.1213","","","","","","1.037","","","","has coordinates","214608","2020-10-21","18:00:00",""
"7232597","10.373","0.0005","13.4532","0.0006","13.9106","0.0006","83.333","0.002","84.907","0.002","70.842","0.002","1818.66","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:anisole","","","- C47 H40 N2 O S2 -","- C47 H40 N2 O S2 -","- C94 H80 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0451","0.0352","","","0.0881","0.095","","","","","","1.033","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232598","8.9125","0.0005","9.0807","0.0005","13.0222","0.0006","90.729","0.002","109.691","0.002","111.869","0.002","909.28","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0552","0.0416","","","0.1027","0.1107","","","","","","1.043","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232599","8.9207","0.0004","9.1082","0.0004","12.6652","0.0006","91.979","0.002","107.947","0.002","111.131","0.002","900.79","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:anisole:water","","","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0488","0.0414","","","0.1075","0.1141","","","","","","1.036","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232600","10.5144","0.0006","13.7009","0.0007","13.7121","0.0007","84.337","0.002","70.982","0.002","87.993","0.002","1858.38","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0541","0.0441","","","0.1171","0.1271","","","","","","1.024","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232601","9.0063","0.0004","9.1151","0.0004","12.6154","0.0005","92.511","0.002","106.59","0.002","112.306","0.002","904.63","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:p-xylene","","","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0577","0.0425","","","0.1025","0.1115","","","","","","1.032","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232602","10.5363","0.0006","13.6858","0.0007","13.71","0.0007","95.756","0.002","108.128","0.002","90.207","0.002","1868.08","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:3-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0443","0.0354","","","0.0897","0.0959","","","","","","1.033","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232603","9.2867","0.0007","10.2931","0.0008","10.7281","0.0008","90.623","0.001","99.019","0.001","102.689","0.001","986.98","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0269","0.0256","","","0.0669","0.0677","","","","","","1.054","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232604","9.2905","0.0012","10.3007","0.0013","10.7373","0.0014","90.642","0.002","98.969","0.002","102.623","0.002","989.4","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0532","0.0398","","","0.1067","0.1189","","","","","","0.869","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232605","3.7455","0.0003","10.533","0.0006","21.5313","0.0012","90","","94.556","0.006","90","","846.75","0.1","250","","250","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H18 B2 N2 O10 -","- C14 H18 B2 N2 O10 -","- C28 H36 B4 N4 O20 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0415","0.0375","","","0.1024","0.1059","","","","","","1.079","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232606","12.3874","0.0006","10.7643","0.0004","8.761","0.0004","90","","98.765","0.005","90","","1154.56","0.09","298.15","","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H22 B2 N4 O8 -","- C24 H22 B2 N4 O8 -","- C48 H44 B4 N8 O16 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0601","0.0463","","","0.1125","0.1199","","","","","","1.066","","","","has coordinates,has disorder","223623","2020-10-21","18:00:00",""
"7232607","3.9208","0.0004","10.445","0.0009","29.717","0.003","90","","90.34","0.009","90","","1217","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 N2 O10 -","- C26 H26 B2 N2 O10 -","- C52 H52 B4 N4 O20 -","2","0.5","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0895","0.0574","","","0.1387","0.1677","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232608","10.5211","0.0005","21.0309","0.0009","7.6551","0.0004","90","","99.368","0.005","90","","1671.24","0.14","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 N2 O9 -","- C14 H16 B2 N2 O9 -","- C56 H64 B8 N8 O36 -","4","1","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.096","0.0514","","","0.1082","0.1298","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232609","17.7131","0.0009","7.5346","0.0004","16.195","0.0008","90","","90","","90","","2161.4","0.19","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Br2 Co N4 S2 -","- C20 H16 Br2 Co N4 S2 -","- C80 H64 Br8 Co4 N16 S8 -","4","0.5","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0301","0.0257","","","0.0643","0.0669","","","","","","1.07","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232610","12.8028","0.0005","18.2985","0.0007","25.461","0.001","90","","90","","90","","5964.8","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co I2 N4 O6 S2 -","- C20 H28 Co I2 N4 O6 S2 -","- C160 H224 Co8 I16 N32 O48 S16 -","8","1","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0457","0.0295","","","0.0581","0.0637","","","","","","1.043","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232611","13.0024","0.0008","21.9573","0.0013","22.2526","0.0014","90","","90","","90","","6353.1","0.7","296","2","296","2","","","","","","","","7","C c c m","-C 2 2c","66","","","","- C18 H16 Co N14 O17 P0 W5 -","- C18 H14 Co N14 O17 W5 -","- C144 H112 Co8 N112 O136 W40 -","8","0.5","","Wu, Yingying; Li, Xuefei; Liu, Ying; Xiao, Ge; Huang, Yijiao; Li, Yamin; Dang, Dongbin; Bai, Yan","Three novel polyoxometalate-based inorganic‒organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine","RSC Advances","2019","9","21","11932","","10.1039/C9RA01451A","","","0.71073","MoKα","","0.0428","0.0305","","","0.0621","0.0651","","","","","","1.055","","","","has coordinates","214664","2020-10-21","18:00:00",""
"7232612","30.375","0.004","30.375","0.004","30.375","0.004","90","","90","","90","","28025","6","293","2","293","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C54 H66 Cd3 N42 O92 P2 W24 -","- C54 H42 Cd3 N42 O86 P2 W24 -","- C432 H336 Cd24 N336 O688 P16 W192 -","8","0.166667","","Wu, Yingying; Li, Xuefei; Liu, Ying; Xiao, Ge; Huang, Yijiao; Li, Yamin; Dang, Dongbin; Bai, Yan","Three novel polyoxometalate-based inorganic‒organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine","RSC Advances","2019","9","21","11932","","10.1039/C9RA01451A","","","0.71073","MoKα","","0.092","0.092","","","0.1887","0.1887","","","","","","1.232","","","","has coordinates","214664","2020-10-21","18:00:00",""
"7232613","11.861","0.003","20.437","0.006","22.536","0.006","90","","93.471","0.004","90","","5453","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag3 Mo12 N14 O41.5 P -","- C18 H14 Ag3 Mo12 N14 O41.5 P -","- C72 H56 Ag12 Mo48 N56 O166 P4 -","4","1","","Wu, Yingying; Li, Xuefei; Liu, Ying; Xiao, Ge; Huang, Yijiao; Li, Yamin; Dang, Dongbin; Bai, Yan","Three novel polyoxometalate-based inorganic‒organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine","RSC Advances","2019","9","21","11932","","10.1039/C9RA01451A","","","0.71073","MoKα","","0.0384","0.0329","","","0.0757","0.0778","","","","","","1.148","","","","has coordinates","214664","2020-10-21","18:00:00",""
"7232614","8.4226","0.0017","14.002","0.003","16.76","0.003","90","","90","","90","","1976.6","0.7","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl2 N O3 S -","- C19 H19 Cl2 N O3 S -","- C76 H76 Cl8 N4 O12 S4 -","4","1","","Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei","K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides","RSC Advances","2019","9","21","11978","","10.1039/C9RA00309F","","","0.71073","MoKα","","0.0451","0.0382","","","0.0769","0.0808","","","","","","0.993","","","","has coordinates","214665","2020-10-21","18:00:00",""
"7232615","9.1621","0.0002","11.5165","0.0002","17.1645","0.0004","90","","90","","90","","1811.12","0.07","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei","K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides","RSC Advances","2019","9","21","11978","","10.1039/C9RA00309F","","","0.71073","MoKα","","0.0303","0.0281","","","0.0701","0.071","","","","","","1.047","","","","has coordinates","214665","2020-10-21","18:00:00",""
"7232616","10.818","0.0011","9.0405","0.0009","10.9871","0.0011","90","","90.798","0.003","90","","1074.44","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S2 -","- C20 H20 N2 O7 S2 -","- C40 H40 N4 O14 S4 -","2","1","","Zhong, Jinlian; Fu, Hongyu; Jia, Xinjian; Lou, Haoxiang; Wan, Tiantian; Luo, Haiqing; Liu, Huijin; Zhong, Dichang; Luo, Xuzhong","A pH-/thermo-responsive hydrogel formed from N,N′-dibenzoyl-l-cystine: properties, self-assembly structure and release behavior of SA","RSC Advances","2019","9","21","11824","","10.1039/C8RA09058K","","","0.71073","MoKα","","0.0682","0.0472","","","0.1061","0.1149","","","","","","1.043","","","","has coordinates","214666","2020-10-21","18:00:00",""
"7232617","19.3734","0.0009","7.6646","0.0004","16.9594","0.0006","90","","110.353","0.004","90","","2361.07","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl)-2-phenylacrylonitrile","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Anandhan, Karnambaram; Cerón, Margarita; Perumal, Venkatesan; Ceballos, Paulina; Gordillo-Guerra, Paola; Pérez-Gutiérrez, Enrique; Castillo, Armando E.; Thamotharan, Subbiah; Percino, M. Judith","Solvatochromism and pH effect on the emission of a triphenylimidazole-phenylacrylonitrile derivative: experimental and DFT studies","RSC Advances","2019","9","21","12085","","10.1039/C9RA01275C","","","1.54178","CuKα","","0.0719","0.0442","","","0.0976","0.1111","","","","","","1.013","","","","has coordinates","214667","2020-10-21","18:00:00",""
"7232618","20.6948","0.0009","19.1425","0.0007","7.5103","0.0002","90","","92.828","0.002","90","","2971.58","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodidobis(acetonitrile)hexacopper(I)","","- C22 H21 Cu6 I3 N2 S3 -","- C22 H21 Cu6 I3 N2 S3 -","- C88 H84 Cu24 I12 N8 S12 -","4","1","","Troyano, Javier; Castillo, Óscar; Amo-Ochoa, Pilar; Martínez, J. Ignacio; Zamora, Félix; Delgado, Salomé","Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties","CrystEngComm","2019","21","20","3232","","10.1039/C9CE00313D","","x-ray","0.71073","MoKα","","0.0956","0.0446","","","0.0864","0.1041","","","","","","1.014","","","","has coordinates","223619","2020-10-21","18:00:00",""
"7232619","18.636","0.003","14.5547","0.0019","27.872","0.004","90","","92.464","0.002","90","","7553.1","1.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 Au Br1.74 Cl0.26 O4 P3 S4 -","- C84 H68 Au Br1.7404 Cl0.2596 O4 P3 S4 -","- C336 H272 Au4 Br6.9616 Cl1.0384 O16 P12 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0978","0.0553","","","0.1224","0.1467","","","","","","1.067","","","","has coordinates","223685","2020-10-21","18:00:00",""
"7232620","24.0138","0.0004","7.3818","0.0004","25.0096","0.0007","90","","110.872","0.0007","90","","4142.4","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Au O6 P S4 -","- C44 H44 Au O6 P S4 -","- C176 H176 Au4 O24 P4 S16 -","4","0.5","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.68889","synchrotron","","0.0542","0.0289","","","0.0668","0.0895","","","","","","0.95","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232621","7.4715","0.0017","16.423","0.004","27.825","0.007","90","","90.076","0.003","90","","3414.2","1.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Au O4.5 P S4 -","- C36 H28 Au O4.5 P S4 -","- C144 H112 Au4 O18 P4 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0595","0.0462","","","0.1094","0.1177","","","","","","1.117","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232622","10.783","0.003","14.172","0.004","16.481","0.005","65.051","0.008","80.38","0.013","79.305","0.014","2232.7","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Au O5 P S4 -","- C40 H38 Au O5 P S4 -","- C80 H76 Au2 O10 P2 S8 -","2","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0614","0.0431","","","0.1028","0.1154","","","","","","0.994","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232623","5.235","0.0004","10.451","0.0009","13.2627","0.0011","80.451","0.003","85.302","0.003","83.095","0.003","708.95","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N5 O5 S2 -","- C9 H15 N5 O5 S2 -","- C18 H30 N10 O10 S4 -","2","1","","Song, Yu; Wang, Ling-Yang; Liu, Fang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Simultaneously enhancing the in vitro/in vivo performances of acetazolamide using proline as a zwitterionic coformer for cocrystallization","CrystEngComm","2019","21","19","3064","","10.1039/C9CE00270G","","","0.71073","MoKα","","0.0664","0.0505","","","0.1285","0.1389","","","","","","1.059","","","","has coordinates","223602","2020-10-21","18:00:00",""
"7232624","21.074","0.004","12.547","0.003","14.06","0.003","90","","105.68","0.03","90","","3579.3","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 N2 O8 -","- C40 H38 Cl2 N2 O8 -","- C160 H152 Cl8 N8 O32 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0777","0.0736","","","0.1923","0.194","","","","","","1.181","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232625","14.101","0.003","16.998","0.003","21.305","0.004","72.5","0.03","88.77","0.03","85.34","0.03","4854.1","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H93 Co4 N7 O23 -","- C89 H93 Co4 N7 O23 -","- C178 H186 Co8 N14 O46 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1208","0.0873","","","0.2379","0.2613","","","","","","1.032","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232626","16.204","0.004","13.645","0.005","22.195","0.004","90","","93.12","0.03","90","","4900","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N O5 -","- C20 H18 Cu N O5 -","- C160 H144 Cu8 N8 O40 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1669","0.1361","","","0.3374","0.3617","","","","","","1.131","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232627","25.007","0.005","34.875","0.007","16.063","0.003","90","","107.55","0.03","90","","13357","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cu2 N4 O11 -","- C46 H48 Cu2 N4 O11 -","- C368 H384 Cu16 N32 O88 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1204","0.0812","","","0.2369","0.2629","","","","","","1.041","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232628","19.276","0.004","13.237","0.003","19.747","0.004","90","","95.04","0.03","90","","5019.1","1.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd2 N2 O10 -","- C40 H36 Cd2 N2 O10 -","- C160 H144 Cd8 N8 O40 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1559","0.109","","","0.3039","0.3355","","","","","","1.051","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232629","8.865","0.0018","10.969","0.002","12.44","0.003","74.58","0.03","88.22","0.03","87.34","0.03","1164.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Mn N2 O5 -","- C24 H25 Mn N2 O5 -","- C48 H50 Mn2 N4 O10 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0621","0.0564","","","0.1463","0.1515","","","","","","1.049","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232630","10.954","0.002","13.627","0.003","14.312","0.003","101.03","0.03","106.14","0.03","94.29","0.03","1995.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cu2 N3 O9.5 -","- C43 H40 Cu2 N3 O9.5 -","- C86 H80 Cu4 N6 O19 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1077","0.0657","","","0.1659","0.1961","","","","","","1.024","","","","has coordinates,has disorder","223604","2020-10-21","18:00:00",""
"7232631","8.3553","0.0003","11.644","0.0004","12.2554","0.0004","111.29","0.003","98.55","0.003","100.341","0.003","1062.74","0.07","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 F12 Mg N2 O14 S10 -","- C16 H36 F12 Mg N2 O14 S10 -","- C16 H36 F12 Mg N2 O14 S10 -","1","0.5","","MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi","Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01400D","","","0.71073","MoKα","","0.0493","0.044","","","0.1188","0.1213","","","","","","1.097","","","","has coordinates","214686","2020-10-21","18:00:00",""
"7232632","14.2221","0.0004","16.156","0.0004","20.0391","0.0006","96.153","0.002","109.15","0.002","109.657","0.002","3971.8","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H68 F24 Mg2 N12 O26 S8 -","- C44 H68 F24 Mg2 N12 O26 S8 -","- C88 H136 F48 Mg4 N24 O52 S16 -","2","1","","MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi","Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01400D","","","0.71073","MoKα","","0.0753","0.0615","","","0.1743","0.1842","","","","","","1.067","","","","has coordinates,has disorder","214686","2020-10-21","18:00:00",""
"7232633","11.0919","0.0005","11.1816","0.0006","20.2849","0.0011","90","","98.442","0.005","90","","2488.6","0.2","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 F12 Mg N14 O8 S4 -","- C34 H48 F12 Mg N14 O8 S4 -","- C68 H96 F24 Mg2 N28 O16 S8 -","2","0.5","","MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi","Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01400D","","","0.71073","MoKα","","0.0695","0.0468","","","0.1151","0.1251","","","","","","1.021","","","","has coordinates","214686","2020-10-21","18:00:00",""
"7232634","16.5803","0.0008","16.0637","0.0007","18.4302","0.0008","90","","107.544","0.005","90","","4680.4","0.4","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 F12 Mg N2 O17 S6 -","- C26 H50 F12 Mg N2 O17 S6 -","- C104 H200 F48 Mg4 N8 O68 S24 -","4","1","","MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi","Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01400D","","","0.71073","MoKα","","0.1059","0.0762","","","0.1857","0.1972","","","","","","1.057","","","","has coordinates,has disorder","214686","2020-10-21","18:00:00",""
"7232635","21.1261","0.0006","24.8124","0.0006","9.1976","0.0002","90","","90","","90","","4821.3","0.2","230","","230","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H27 N O7 -","- C27 H27 N O7 -","- C216 H216 N8 O56 -","8","2","","Kang, Jing-Wen; Li, Xiang; Chen, Fei-Yu; Luo, Yuan; Zhang, Shu-Cang; Kang, Bin; Peng, Cheng; Tian, Xu; Han, Bo","Protecting group-directed annulations of tetra-substituted oxindole olefins and sulfur ylides: regio- and chemoselective synthesis of cyclopropane- and dihydrofuran-fused spirooxindoles","RSC Advances","2019","9","22","12255","","10.1039/C9RA02192B","","x-ray","1.54184","CuKα","","0.0612","0.0568","","","0.1589","0.1641","","","","","","1.069","","","","has coordinates","214687","2020-10-21","18:00:00",""
"7232636","10.0593","0.0003","14.818","0.0005","14.6664","0.0006","90","","97.286","0.003","90","","2168.5","0.13","230","","230","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O4 -","- C28 H23 N O4 -","- C112 H92 N4 O16 -","4","1","","Kang, Jing-Wen; Li, Xiang; Chen, Fei-Yu; Luo, Yuan; Zhang, Shu-Cang; Kang, Bin; Peng, Cheng; Tian, Xu; Han, Bo","Protecting group-directed annulations of tetra-substituted oxindole olefins and sulfur ylides: regio- and chemoselective synthesis of cyclopropane- and dihydrofuran-fused spirooxindoles","RSC Advances","2019","9","22","12255","","10.1039/C9RA02192B","","x-ray","1.54184","CuKα","","0.0585","0.0544","","","0.1494","0.1536","","","","","","1.064","","","","has coordinates","214687","2020-10-21","18:00:00",""
"7232637","17.2098","0.0011","8.7962","0.0005","12.4668","0.0007","90","","112.273","0.002","90","","1746.43","0.18","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H40 Cl4 N8 Ni2 O2 -","- C30 H40 Cl4 N8 Ni2 O2 -","- C60 H80 Cl8 N16 Ni4 O4 -","2","0.25","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0636","0.0416","","","0.0825","0.0896","","","","","","1.069","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232638","15.1186","0.0006","18.4249","0.0007","23.5902","0.001","90","","90","","90","","6571.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H34 I2 N8 Ni2 -","- C28 H34 I2.003 N8 Ni2 -","- C224 H272 I16.024 N64 Ni16 -","8","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0979","0.0601","","","0.1353","0.151","","","","","","1.062","","","","has coordinates,has disorder","214697","2020-10-21","18:00:00",""
"7232639","15.109","0.003","15.035","0.003","10.6611","0.0019","90","","116.24","0.006","90","","2172.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H32 Br4 N8 Ni2 -","- C28 H32 Br4 N8 Ni2 -","- C56 H64 Br8 N16 Ni4 -","2","0.25","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0833","0.0576","","","0.1555","0.1679","","","","","","1.037","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232640","19.061","0.004","10.993","0.002","19.32","0.004","90","","112.098","0.005","90","","3750.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 I4 N8 Ni2 O2 -","- C30 H40 I4 N8 Ni2 O2 -","- C120 H160 I16 N32 Ni8 O8 -","4","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.1494","0.1157","","","0.3284","0.37","","","","","","1.459","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232641","11.5825","0.0005","13.5215","0.0006","19.6576","0.0008","98.75","0.001","101.464","0.001","103.617","0.001","2867.7","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H65 B2 N7 Ni -","- C68 H65 B2 N7 Ni -","- C136 H130 B4 N14 Ni2 -","2","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0588","0.0419","","","0.1188","0.1326","","","","","","0.964","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232642","11.1094","0.0007","15.0969","0.0009","18.9302","0.0012","90","","90","","90","","3174.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Olex2 1.2(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C38 H40 B2 N4 Ni -","- C38 H40 B2 N4 Ni -","- C152 H160 B8 N16 Ni4 -","4","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0762","0.0508","","","0.0918","0.1005","","","","","","1.028","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232643","16.7786","0.0013","11.9023","0.0009","21.251","0.0019","90","","105.676","0.002","90","","4086.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H92 B2 N12 Ni2 O4 -","- C88 H92 B2 N12 Ni2 O4 -","- C176 H184 B4 N24 Ni4 O8 -","2","0.5","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.085","0.0564","","","0.135","0.1483","","","","","","1.037","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232644","21.7139","0.0016","11.0715","0.0008","16.0808","0.0012","90","","100.803","0.002","90","","3797.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N4 Ni O9 S1.5 -","- C14 H21 N4 Ni O9 S1.5 -","- C112 H168 N32 Ni8 O72 S12 -","8","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71","MoKα","","0.0965","0.0592","","","0.1214","0.1367","","","","","","1.019","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232645","10.8252","0.0014","11.8798","0.0016","17.529","0.003","70.982","0.004","72.243","0.003","78.092","0.003","2015.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H94 B2 N12 Ni2 S2 -","- C96 H94 B2 N12 Ni2 S2 -","- C96 H94 B2 N12 Ni2 S2 -","1","0.5","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.178","0.0791","","","0.1532","0.1849","","","","","","1.004","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232646","30.9603","0.001","30.9603","0.001","11.4869","0.0005","90","","90","","120","","9535.5","0.6","100","2","100.2","","","","","","","","","5","R -3","-R 3","148","","","","- C15 H16 N4 Ni O3 -","- C15 H16 N4 Ni O3 -","- C270 H288 N72 Ni18 O54 -","18","","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0565","0.0429","","","0.1145","0.1283","","","","","","1.139","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232647","42.319","0.003","22.6","0.0014","15.7228","0.0009","90","","93.976","0.004","90","","15001.2","1.7","100","2","100.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C163 H151 B3 N12 Ni3 O7 -","- C163 H151 B3 N12 Ni3 O7 -","- C652 H604 B12 N48 Ni12 O28 -","4","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71","MoKα","","0.0649","0.0531","","","0.1309","0.1403","","","","","","1.021","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232648","9.9687","0.0008","14.9432","0.0011","24.3238","0.0017","92.312","0.002","97.145","0.002","107.847","0.002","3410.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Cl2 N2 O5 -","- C40 H26 Cl2 N2 O5 -","- C160 H104 Cl8 N8 O20 -","4","2","","Shafiee, Behnaz; Duffield, Joseph; Timm, Rudy; Liyanage, Rohana; Lay, Jackson O.; Khosropour, Ahmad R.; Amiri Rudbari, Hadi; Beyzavi, M. Hassan","Metal-free and benign approach for the synthesis of dihydro-5′H-spiro[benzo[c]chromene-8,4′-oxazole]-5′,6(7H)-dione scaffolds as masked amino acids","Green Chemistry","2019","21","10","2656","","10.1039/C9GC00428A","","","0.71073","MoKα","","0.1961","0.0641","","","0.1412","0.2183","","","","","","0.999","","","","has coordinates","224594","2020-10-21","18:00:00",""
"7232649","6.1741","0.0011","15.678","0.003","16.411","0.003","90","","90","","90","","1588.5","0.5","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O5 -","- C20 H15 N O5 -","- C80 H60 N4 O20 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.0607","0.0414","","","0.078","0.0864","","","","","","1.026","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232650","8.2229","0.0008","18.1522","0.0017","21.438","0.002","90","","90","","90","","3199.9","0.5","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 N2 O10 -","- C40 H30 N2 O10 -","- C160 H120 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.0454","0.0362","","","0.0738","0.0789","","","","","","1.04","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232651","20.0542","0.0004","11.4435","0.0002","12.2782","0.0002","90","","90","","90","","2817.73","0.09","93","","93","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32 H30 N2 O10 -","- C32 H30 N2 O10 -","- C128 H120 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","1.54187","CuKα","","0.1202","0.0891","","","0.2399","0.3018","","","","","","1.197","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232652","10.62","0.005","15.369","0.006","21.972","0.009","90","","90","","90","","3586","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 Cl3 N2 O10 -","- C41 H31 Cl3 N2 O10 -","- C164 H124 Cl12 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.149","0.0956","","","0.2672","0.301","","","","","","1.065","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232653","10.393","0.005","18.063","0.009","12.568","0.006","90","","99.096","0.01","90","","2330","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N O4 P S -","- C26 H24 N O4 P S -","- C104 H96 N4 O16 P4 S4 -","4","1","","Liu, Teng; Li, Yongqin; Cheng, Feixiang; Shen, Xianfu; Liu, Jianjun; Lin, Jun","Highly chemo- and regioselective C‒P cross-coupling reaction of quinone imine ketals with Ar2P(O)H to construct ortho-amino triarylphosphine derivatives","Green Chemistry","2019","21","13","3536","","10.1039/C9GC00989B","","","0.71073","MoKα","","0.222","0.1215","","","0.3121","0.3678","","","","","","1.038","","","","has coordinates","224617","2020-10-21","18:00:00",""
"7232654","10.82","0.0009","17.6091","0.0015","14.0022","0.0013","90","","105.494","0.002","90","","2570.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N O5 P S -","- C27 H26 N O5 P S -","- C108 H104 N4 O20 P4 S4 -","4","1","","Liu, Teng; Li, Yongqin; Cheng, Feixiang; Shen, Xianfu; Liu, Jianjun; Lin, Jun","Highly chemo- and regioselective C‒P cross-coupling reaction of quinone imine ketals with Ar2P(O)H to construct ortho-amino triarylphosphine derivatives","Green Chemistry","2019","21","13","3536","","10.1039/C9GC00989B","","","0.71073","MoKα","","0.0982","0.0557","","","0.1316","0.1547","","","","","","1.016","","","","has coordinates","224617","2020-10-21","18:00:00",""
"7232655","10.2009","0.0008","11.2819","0.0008","14.59","0.0012","100.549","0.003","98.728","0.005","95.222","0.005","1619.4","0.2","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1499","0.0915","","","0.2213","0.278","","","","","","0.864","","","","has coordinates","223622","2020-10-21","18:00:00",""
"7232656","10.51253","0.00019","11.3405","0.0002","14.6657","0.0003","98.3194","0.0009","100.576","0.0009","98.4908","0.0009","1673.12","0.06","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1282","0.0659","","","0.1124","0.1406","","","","","","0.827","","","","has coordinates","223622","2020-10-21","18:00:00",""
"7232657","20.076","0.005","19.744","0.004","14.25","0.003","90","","133.285","0.006","90","","4111.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H37 N9 O11 Zn2 -","- C18 H8 N5 O8 Zn2 -","- C72 H32 N20 O32 Zn8 -","4","0.5","","Zou, Lifei; Yuan, Jiaqi; Yuan, Yang; Gu, Jiaming; Li, Guanghua; Zhang, Lirong; Liu, Yunling","A Zn(ii) metal‒organic framework constructed by a mixed-ligand strategy for CO2 capture and gas separation","CrystEngComm","2019","21","21","3289","","10.1039/C9CE00343F","","","0.71073","MoKα","","0.0454","0.0306","","","0.0846","0.0917","","","","","","1.041","","","","has coordinates,has disorder","223694","2020-10-21","18:00:00",""
"7232658","13.779","0.0003","6.8067","0.0001","42.0629","0.0008","90","","97.22","0.001","90","","3913.78","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C168 H168 N24 O40 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0511","0.0412","","","0.1206","0.1245","","","","","","1.147","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232659","7.911","0.0001","11.6159","0.0002","40.0826","0.0007","90","","90","","90","","3683.33","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0668","0.0471","","","0.1261","0.1527","","","","","","1.133","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232660","8.0068","0.0007","9.5362","0.001","12.255","0.0009","95.494","0.003","98.424","0.003","97.562","0.004","911.24","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C46 H34 N2 O4 S2 -","2","1","","Mor, Satbir; Sindhu, Suchita","Convenient and efficient synthesis of novel 11H-benzo[5,6][1,4]thiazino[3,4-a]isoindol-11-ones derived from 2-bromo-(2/3-substitutedphenyl)-1H-indene-1,3(2H)-diones","RSC Advances","2019","9","23","12784","","10.1039/C9RA02403D","","","0.71073","MoKα","","0.0667","0.047","","","0.1305","0.1469","","","","","","1.046","","","","has coordinates","214788","2020-10-21","18:00:00",""
"7232661","8.403","0.0014","10.9764","0.0018","20.319","0.003","99.433","0.002","94.128","0.002","109.784","0.002","1723.2","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H59 N7 O2 -","- C34 H59 N7 O2 -","- C68 H118 N14 O4 -","2","1","","Kimijima, Ayaka; Honda, Akinori; Nomoto, Kuniharu; Miyamura, Kazuo","Cold crystallization in the mixed system of adenine and thymine dodecyl derivatives","CrystEngComm","2019","21","20","3142","","10.1039/C9CE00407F","","","0.71073","MoKα","","0.1122","0.0652","","","0.1631","0.1955","","","","","","0.993","","","","has coordinates","223617","2020-10-21","18:00:00",""
"7232662","9.8795","0.0011","22.045","0.002","11.3775","0.0012","90","","114.823","0.002","90","","2249","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N6 O5 Zn -","- C23 H18 N6 O5 Zn -","- C92 H72 N24 O20 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0359","0.0302","","","0.0895","0.0926","","","","","","1.06","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232663","19.4386","0.0013","11.5018","0.0008","13.4225","0.0009","90","","131.941","0.002","90","","2232.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C88 H96 N16 O24 -","4","0.5","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.095","0.067","","","0.1839","0.2137","","","","","","1.029","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232664","12.02","0.002","16.434","0.003","14.413","0.003","90","","98.58","0.03","90","","2815.2","0.9","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 N6 O5.5 Zn -","- C29.5 H24 N6 O5.5 Zn -","- C118 H96 N24 O22 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0569","0.043","","","0.1073","0.1155","","","","","","1.044","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232665","9.1075","0.0008","11.8822","0.0011","15.5502","0.0014","80.532","0.003","74.179","0.003","74.763","0.003","1554.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 Eu2 N2 O18 -","- C26 Eu2 N2 O18 -","- C52 Eu4 N4 O36 -","2","1","","Song, Liping; Liu, Wei; Wang, Yanlong; Chen, Lanhua; Wang, Xiao-Feng; Wang, Shuao","A hydrolytically stable europium‒organic framework for the selective detection of radioactive Th4+ in aqueous solution","CrystEngComm","2019","21","22","3471","","10.1039/C9CE00241C","","","0.71073","MoKα","","0.0353","0.0305","","","0.0882","0.1001","","","","","","1.196","","","","has coordinates","223492","2020-10-21","18:00:00",""
"7232666","18.5984","0.0009","18.5984","0.0009","38.5338","0.0018","90","","90","","120","","11543.1","1","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Cu2 O10 -","- C24 H18 Cu2 O10 -","- C216 H162 Cu18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0634","0.0511","","","0.1733","0.1868","","","","","","1.034","","","","has coordinates,has disorder","223620","2020-10-21","18:00:00",""
"7232667","18.826","0.0008","18.826","0.0008","27.3427","0.0012","90","","90","","90","","9690.8","0.7","100","2","100","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C24 H18 Cu2 O10 -","- C24 H14 Cu2 O10 -","- C192 H112 Cu16 O80 -","8","0.5","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0843","0.0726","","","0.308","0.3394","","","","","","1.075","","","","has coordinates","223620","2020-10-21","18:00:00",""
"7232668","10.097","0.007","11.51","0.008","18.588","0.012","90","","100.972","0.017","90","","2121","2","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Neelambra, Afeefah U.; Govind, Chinju; Devassia, Tessy T.; Somashekharappa, Guruprasad M.; Karunakaran, Venugopal","Direct evidence of solvent polarity governing the intramolecular charge and energy transfer: ultrafast relaxation dynamics of push-pull fluorene derivatives.","Physical chemistry chemical physics : PCCP","2019","21","21","11087","11102","10.1039/c9cp00796b","","","0.71073","MoKα","","0.0978","0.082","","","0.1974","0.2186","","","","","","1.055","","","","has coordinates","225330","2020-10-21","18:00:00",""
"7232669","5.3125","0.0002","7.9672","0.0003","16.2923","0.0007","90","","96.61","0.002","90","","685","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0573","0.0544","","","0.1438","0.1467","","","","","","1.157","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232670","4.9905","0.0003","7.7332","0.0004","28.23","0.0014","90","","90","","90","","1089.47","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0798","0.0787","","","0.206","0.2083","","","","","","1.04","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232671","9.6371","0.0004","11.5399","0.0005","11.7536","0.0005","90","","90","","90","","1307.13","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.097","0.0852","","","0.2299","0.2512","","","","","","1.047","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232672","3.8904","0.0003","17.2043","0.0011","18.0371","0.0012","90","","90","","90","","1207.25","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.67 H1.11 O0.56 -","- C1.66667 H1.33333 O0.555556 -","- C60 H48 O20 -","36","9","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0508","0.0402","","","0.0987","0.1053","","","","","","1.061","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232673","15.1625","0.0009","10.8096","0.0006","43.139","0.003","90","","90","","90","","7070.5","0.8","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C304 H384 N16 O16 S16 -","8","1","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0727","0.067","","","0.1372","0.14","","","","","","1.175","","","","has coordinates","223603","2020-10-21","18:00:00",""
"7232674","13.8935","0.0006","15.9032","0.0007","15.2978","0.0007","90","","108.757","0.002","90","","3200.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0398","0.0353","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232675","5.3026","0.0008","9.7451","0.0014","15.944","0.002","98.317","0.003","94.448","0.003","92.455","0.003","811.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","Mo-Kα","","0.0519","0.0398","","","0.1002","0.1071","","","","","","1.04","","","","has coordinates","276356","2022-06-28","17:11:38",""
"7232676","5.335","0.0009","9.684","0.0012","16.482","0.0018","73.861","0.005","84.239","0.007","88.632","0.009","813.83","0.19","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.5636","synchrotron","","0.0348","0.0339","","","0.0951","0.0961","","","","","","1.064","","","","has coordinates","276356","2022-06-28","17:11:41",""
"7232677","9.1924","0.0004","18.5092","0.0008","29.8277","0.0012","98.893","0.002","94.559","0.002","90.651","0.002","4996.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C216 H264 N12 O12 S12 -","6","3","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","MoKα","","0.0997","0.0612","","","0.1277","0.148","","","","","","1.121","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232678","9.8106","0.0003","15.2713","0.0006","14.7499","0.0006","90","","102.098","0.004","90","","2160.76","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Li N4 O5 -","- C22 H24 Li N4 O5 -","- C88 H96 Li4 N16 O20 -","4","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.087","0.0454","","","0.0789","0.0905","","","","","","1.017","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232679","9.2736","0.0006","11.0659","0.0007","11.868","0.0006","83.741","0.005","89.921","0.004","68.591","0.006","1126.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","1","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1133","0.0576","","","0.1057","0.1242","","","","","","1.001","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232680","8.3408","0.0004","12.4515","0.0006","16.7083","0.0009","102.611","0.004","92.029","0.004","99.896","0.004","1663.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 Na O6 -","- C34 H30 N8 Na O6 -","- C68 H60 N16 Na2 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1466","0.1083","","","0.1871","0.2025","","","","","","1.224","","","","has coordinates,has disorder","223691","2020-10-21","18:00:00",""
"7232681","23.6351","0.0002","8.1777","0.0001","26.7566","0.0003","90","","98.007","0.001","90","","5121.12","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 K2 N8 O12 -","- C48 H56 K2 N8 O12 -","- C192 H224 K8 N32 O48 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.0272","0.0252","","","0.0665","0.0679","","","","","","1.033","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232682","8.3032","0.0005","12.43","0.0007","16.5807","0.0012","97.615","0.005","100.354","0.005","100.015","0.005","1633.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Li N8 O6 -","- C34 H30 Li N8 O6 -","- C68 H60 Li2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1523","0.0767","","","0.1662","0.1938","","","","","","1.047","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232683","8.9568","0.0001","10.4462","0.0002","19.2221","0.0003","95.594","0.002","91.222","0.001","92.512","0.002","1787.63","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(triphenylacetyl)glycine","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.045","0.0434","","","0.1167","0.1185","","","","","","1.038","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232684","13.1517","0.0002","9.5286","0.0001","15.2352","0.0002","90","","91.793","0.001","90","","1908.3","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-alanine","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0357","0.0353","","","0.0941","0.0946","","","","","","1.055","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232685","9.7079","0.0012","9.4265","0.0008","13.9926","0.0013","90","","107.665","0.012","90","","1220.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tryptophan","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0555","0.0454","","","0.089","0.0961","","","","","","1.036","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232686","8.941","0.0002","8.941","0.0002","54.361","0.002","90","","90","","90","","4345.7","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-(triphenylacetyl)-L-methionine","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C200 H200 N8 O24 S8 -","8","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0786","0.0645","","","0.1107","0.1158","","","","","","1.122","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232687","9.172","0.0002","32.882","0.0005","13.538","0.0003","90","","90.126","0.002","90","","4082.97","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-proline methylester","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0394","0.0393","","","0.1054","0.1054","","","","","","1.039","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232688","13.3958","0.0006","9.2202","0.0003","16.7458","0.0007","90","","108.447","0.005","90","","1962.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(triphenylacetyl)glycylglycine","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0489","0.0384","","","0.0882","0.0944","","","","","","1.049","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232689","8.5896","0.0001","9.9657","0.0001","12.7116","0.0002","90","","94.914","0.001","90","","1084.13","0.02","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-valine","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0352","0.0347","","","0.0911","0.0918","","","","","","1.035","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232690","14.3139","0.0002","15.9294","0.0002","9.1186","0.0001","90","","90","","90","","2079.15","0.05","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-(triphenylacetyl)-L-proline","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0319","0.0312","","","0.082","0.0831","","","","","","1.061","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232691","9.6669","0.0003","14.8741","0.0006","19.1839","0.0006","86.367","0.004","81.808","0.003","71.038","0.003","2581.65","0.16","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0424","0.0399","","","0.1067","0.109","","","","","","1.053","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232692","8.5012","0.0001","9.8952","0.0001","12.8936","0.0002","90","","92.27","0.001","90","","1083.77","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tert-leucine","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0242","0.0241","","","0.0627","0.0628","","","","","","1.076","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232693","9.1939","0.0004","10.3126","0.0004","24.1891","0.0008","90","","90","","90","","2293.44","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(triphenylacetyl)-L-tyrosine","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0581","0.0431","","","0.0841","0.0925","","","","","","1.059","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232694","9.8268","0.0002","10.7524","0.0002","12.3034","0.0003","104.385","0.002","99.112","0.002","92.482","0.002","1238.7","0.05","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0319","0.0316","","","0.0852","0.0855","","","","","","1.08","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232695","10.119","0.002","12.697","0.003","14.644","0.003","93.56","0.03","108.43","0.03","108.3","0.03","1667.3","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H38 O6 -","- C40 H38 O6 -","- C80 H76 O12 -","2","1","","Yu, Binhong; Liu, Danyang; Zhang, Jinyan; Li, Zhize; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Emissions and the application of a series of twisted fluorophores with intramolecular weak hydrogen bonds","RSC Advances","2019","9","23","13214","","10.1039/C9RA01244C","","","0.71073","MoKα","","0.0796","0.0499","","","0.1245","0.1375","","","","","","1.06","","","","has coordinates","214880","2020-10-21","18:00:00",""
"7232696","10.354","0.002","12.225","0.002","13.653","0.003","90","","111.99","0.03","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O2 -","- C40 H40 N2 O2 -","- C80 H80 N4 O4 -","2","0.5","","Yu, Binhong; Liu, Danyang; Zhang, Jinyan; Li, Zhize; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Emissions and the application of a series of twisted fluorophores with intramolecular weak hydrogen bonds","RSC Advances","2019","9","23","13214","","10.1039/C9RA01244C","","","0.71073","MoKα","","0.1531","0.064","","","0.1317","0.1697","","","","","","1.007","","","","has coordinates","214880","2020-10-21","18:00:00",""
"7232697","32.117","0.004","6.5151","0.0008","25.559","0.003","90","","113.333","0.003","90","","4910.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl2 Co4 N24 O9 -","- C40 H44 Cl2 Co4 N24 O9 -","- C160 H176 Cl8 Co16 N96 O36 -","4","0.5","","Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling","Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters","RSC Advances","2019","9","23","13082","","10.1039/C9RA01327J","","","0.71073","MoKα","","0.0622","0.0471","","","0.126","0.1387","","","","","","1.057","","","","has coordinates","214881","2020-10-21","18:00:00",""
"7232698","7.476","0.0008","7.9402","0.0007","9.3241","0.001","102.237","0.003","98.119","0.004","106.7","0.003","505.87","0.09","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N12 Ni O2 -","- C20 H18 N12 Ni O2 -","- C20 H18 N12 Ni O2 -","1","0.5","","Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling","Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters","RSC Advances","2019","9","23","13082","","10.1039/C9RA01327J","","","0.71073","MoKα","","0.0892","0.0581","","","0.133","0.1468","","","","","","1.076","","","","has coordinates","214881","2020-10-21","18:00:00",""
"7232699","9.3788","0.0006","12.917","0.0007","31.877","0.002","90","","95.654","0.002","90","","3843","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Co N12 -","- C20 H14 Co N12 -","- C160 H112 Co8 N96 -","8","1","","Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling","Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters","RSC Advances","2019","9","23","13082","","10.1039/C9RA01327J","","","0.71073","MoKα","","0.036","0.0317","","","0.0758","0.0779","","","","","","1.06","","","","has coordinates","214881","2020-10-21","18:00:00",""
"7232700","6.7747","0.0003","6.9936","0.0002","10.2745","0.0004","90","","99.508","0.004","90","","480.11","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C24 H24 O4 -","2","1","","Zhang, Ying-Qi; Zhu, Xin-Qi; Xu, Yin; Bu, Hao-Zhen; Wang, Jia-Le; Zhai, Tong-Yi; Zhou, Jin-Mei; Ye, Long-Wu","Synthesis of functionalized 3-isochromanones via metal-free intramolecular alkoxylation-initiated cascade cyclization","Green Chemistry","2019","21","11","3023","","10.1039/C9GC01030K","","","1.54184","CuKα","","0.0313","0.0308","","","0.0776","0.0782","","","","","","1.079","","","","has coordinates","224634","2020-10-21","18:00:00",""
"7232701","18.9313","0.0009","16.3839","0.0012","17.3825","0.001","90","","91.048","0.004","90","","5390.6","0.6","180","0.1","180","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C49 H21 Cl3 F20 N5 O4 -","- C49 H21 Cl3 F20 N5 O4 -","- C196 H84 Cl12 F80 N20 O16 -","4","0.5","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","x-ray","0.71073","MoKα","","0.1321","0.0954","","","0.2623","0.2963","","","","","","1.064","","","","has coordinates,has disorder","214895","2020-10-21","18:00:00",""
"7232702","19.2843","0.001","8.2608","0.0004","28.316","0.002","90","","103.985","0.006","90","","4377.1","0.5","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H10 Cl3 F20 N5 O4 -","- C46 H10 Cl3 F20 N5 O4 -","- C184 H40 Cl12 F80 N20 O16 -","4","1","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","","0.71073","MoKα","","0.1256","0.0815","","","0.1906","0.2162","","","","","","1.027","","","","has coordinates,has disorder","214895","2020-10-21","18:00:00",""
"7232703","14.5721","0.0008","9.2987","0.0006","15.8007","0.001","90","","90.331","0.006","90","","2141","0.2","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H10 Cl3 F20 N5 O4 -","- C46 H10 Cl3 F20 N5 O4 -","- C92 H20 Cl6 F40 N10 O8 -","2","1","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","","0.71073","MoKα","","0.1115","0.0689","","","0.1585","0.1753","","","","","","1.03","","","","has coordinates","214895","2020-10-21","18:00:00",""
"7232704","18.2714","0.0003","18.3261","0.0002","35.2109","0.0006","95.797","0.001","97.429","0.001","90.023","0.001","11630.3","0.3","179.99","0.11","179.99","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C45 H7 F20 N5 O6 -","- C45 H7 F20 N5 O6 -","- C450 H70 F200 N50 O60 -","10","5","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","","0.71073","MoKα","","0.1463","0.0959","","","0.2193","0.2449","","","","","","1.018","","","","has coordinates","214895","2020-10-21","18:00:00",""
"7232705","33.9547","0.0016","8.7071","0.0003","58.8064","0.0013","90","","93.851","0.003","90","","17346.7","1.1","100","0.13","100","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H7 F20 N5 O6 -","- C45 H7 F20 N5 O6 -","- C720 H112 F320 N80 O96 -","16","8","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","x-ray","0.71073","MoKα","","0.2369","0.1453","","","0.3039","0.3615","","","","","","1.09","","","","has coordinates,has disorder","214895","2020-10-21","18:00:00",""
"7232706","25.788","0.0005","16.3752","0.0003","12.6133","0.0002","90","","90.592","0.002","90","","5326.11","0.17","100","0.11","100","0.11","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C45 H11 F20 N5 O4 -","- C45 H13 F20 N5 O4 -","- C180 H52 F80 N20 O16 -","4","0.5","","Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long","Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01177C","","x-ray","0.71073","MoKα","","0.0755","0.069","","","0.1888","0.1948","","","","","","1.06","","","","has coordinates,has disorder","214895","2020-10-21","18:00:00",""
"7232707","13.5174","0.0011","13.5216","0.0011","29.869","0.002","81.6102","0.0015","82.6279","0.0016","89.5941","0.0017","5355.9","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C32 H16 Ce4 Cl Cr4 Cs2 O83.5 Si W12 -","- C32 H16 Ce4 Cl Cr4 Cs2 O83.5 Si W12 -","- C64 H32 Ce8 Cl2 Cr8 Cs4 O167 Si2 W24 -","2","1","","Gu, Ya-Nan; Zhao, Dan; Yu, Hao; Ge, Rui; Li, Zhong; Tian, Chong-Bian; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Incorporating polyoxometalates and organic ligands to pursue 3d‒4f heterometallic clusters: a series of {Cr4Ln4} clusters stabilized by phthalic acid and [SiW12O40]4−","RSC Advances","2019","9","24","13543","","10.1039/C9RA01731C","","","0.71073","MoKα","","0.0751","0.0658","","","0.1818","0.1897","","","","","","1.091","","","","has coordinates","214896","2020-10-21","18:00:00",""
"7232708","12.4544","0.0009","13.4312","0.0009","31.842","0.002","80.2079","0.0013","80.4562","0.0012","73.7358","0.0012","4999.3","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H16 Cl2 Cr4 O83 Si Tb4 W12 -","- C32 H16 Cl2 Cr4 O83 Si Tb4 W12 -","- C64 H32 Cl4 Cr8 O166 Si2 Tb8 W24 -","2","1","","Gu, Ya-Nan; Zhao, Dan; Yu, Hao; Ge, Rui; Li, Zhong; Tian, Chong-Bian; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Incorporating polyoxometalates and organic ligands to pursue 3d‒4f heterometallic clusters: a series of {Cr4Ln4} clusters stabilized by phthalic acid and [SiW12O40]4−","RSC Advances","2019","9","24","13543","","10.1039/C9RA01731C","","","0.71073","MoKα","","0.0676","0.0574","","","0.1463","0.1527","","","","","","1.066","","","","has coordinates","214896","2020-10-21","18:00:00",""
"7232709","10.5738","0.001","12.4356","0.0012","18.8853","0.0017","71.646","0.003","75.679","0.003","70.826","0.003","2197.3","0.4","130","","130","","","","","","","","Isaak Nohara","9","P -1","-P 1","2","","","","- C47 H39 Cl2 Cu F6 N O P3 S -","- C47 H39 Cl2 Cu F6 N O P3 S -","- C94 H78 Cl4 Cu2 F12 N2 O2 P6 S2 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","x-ray","1.54178","CuKα","","0.039","0.0383","","","0.0922","0.0927","","","","","","1.05","","","","has coordinates,has disorder","214907","2020-10-21","18:00:00",""
"7232710","11.535","0.0005","12.1924","0.0006","17.0548","0.0008","82.221","0.003","71.606","0.003","88.977","0.003","2254.3","0.19","130","","130","","","","","","","","Isaak Nohara","8","P -1","-P 1","2","","","","- C50 H43 Cu F6 N O P3 S -","- C50 H43 Cu F6 N O P3 S -","- C100 H86 Cu2 F12 N2 O2 P6 S2 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0842","0.0603","","","0.1525","0.1695","","","","","","1.025","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232711","9.7193","0.001","14.8522","0.0017","17.864","0.002","110.08","0.005","99.38","0.005","102.758","0.005","2280.5","0.5","130","","130","","","","","","","","Isaak Nohara","7","P -1","-P 1","2","","","","- C45 H43 Cu F6 N2 O1.5 P3 -","- C45 H43 Cu F6 N2 O1.5 P3 -","- C90 H86 Cu2 F12 N4 O3 P6 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","x-ray","1.54178","CuKα","","0.0839","0.0789","","","0.2135","0.2179","","","","","","1.114","","","","has coordinates,has disorder","214907","2020-10-21","18:00:00",""
"7232712","19.112","0.0014","20.3777","0.0015","22.2356","0.0016","90","","90","","90","","8659.8","1.1","130","2","130","","","","","","","","Isaak Nohara","8","P b c a","-P 2ac 2ab","61","","","","- C49 H41 Cu F6 N O P3 S -","- C49 H41 Cu F6 N O P3 S -","- C392 H328 Cu8 F48 N8 O8 P24 S8 -","8","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0382","0.0338","","0.0903","0.0868","0.0903","","","","","","0.9988","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232713","10.8352","0.0014","12.0146","0.0015","16.754","0.002","92.081","0.003","98.546","0.003","107.937","0.003","2044.2","0.4","123","","123","","","","","","","","Isaak Nohara","8","P -1","-P 1","2","","","","- C45 H35 Cu F6 N O P3 S -","- C45 H35 Cu F6 N O P3 S -","- C90 H70 Cu2 F12 N2 O2 P6 S2 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0389","0.0388","","0.0933","0.0933","0.0933","","","","","","0.9868","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232714","10.5055","0.0013","21.487","0.003","19.094","0.002","90","","95.118","0.004","90","","4292.9","0.9","123","","123","","","","","","","","Isaak Nohara","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H39 Cu F6 N O P3 S -","- C48 H39 Cu F6 N O P3 S -","- C192 H156 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.5418","CuKα","","0.0505","0.0504","","0.0877","0.0877","0.0877","","","","","","0.9592","","","","has coordinates,has disorder","214907","2020-10-21","18:00:00",""
"7232715","12.3663","0.0005","19.9827","0.0007","22.6075","0.0016","90","","90","","90","","5586.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H60 Br6 Cl2 O10 -","- C53 H60 Br6 Cl2 O10 -","- C212 H240 Br24 Cl8 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.124","0.0724","","","0.1795","0.2053","","","","","","1.032","","","","has coordinates","214933","2020-10-21","18:00:00",""
"7232716","11.7192","0.0007","11.9722","0.0006","22.1105","0.0016","94.87","0.007","102.695","0.007","97.465","0.007","2980","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H62 Br6 N2 O10 -","- C55 H62 Br6 N2 O10 -","- C110 H124 Br12 N4 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.1599","0.09","","","0.2517","0.3121","","","","","","1.16","","","","has coordinates","214933","2020-10-21","18:00:00",""
"7232717","11.639","0.01","40.03","0.03","11.802","0.01","90","","92.258","0.012","90","","5494","8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Br4 Cl4 O10 -","- C53 H62 Br4 Cl4 O10 -","- C212 H248 Br16 Cl16 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.3","0.1601","","","0.3871","0.4443","","","","","","1.068","","","","has coordinates,has disorder","214933","2020-10-21","18:00:00",""
"7232718","12.3273","0.0007","12.4719","0.0008","19.4537","0.0014","91.125","0.006","94.226","0.007","112.641","0.008","2749.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H65 Br4 Cl2 O10 -","- C54 H65 Br4 Cl2 O10 -","- C108 H130 Br8 Cl4 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.1036","0.0764","","","0.2379","0.2782","","","","","","1.096","","","","has coordinates,has disorder","214933","2020-10-21","18:00:00",""
"7232719","31.6601","0.0008","5.708","0.0002","15.2031","0.0004","90","","112.639","0.002","90","","2535.75","0.13","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Xia, Xuexiu; Lu, Chengrong; Zhao, Bei; Yao, Yingming","Lanthanide complexes combined with chiral salen ligands: application in the enantioselective epoxidation reaction of α,β-unsaturated ketones","RSC Advances","2019","9","24","13749","","10.1039/C9RA01529A","","","1.54178","CuKα","","0.0517","0.0483","","","0.1371","0.1418","","","","","","1.106","","","","has coordinates","214934","2020-10-21","18:00:00",""
"7232720","8.4296","0.0007","8.4438","0.0007","13.7685","0.0012","94.288","0.007","107.426","0.008","107.058","0.007","879.58","0.14","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H13 Br Cl2 N2 O2 Pt S -","- C14 H13 Br Cl2 N2 O2 Pt S -","- C28 H26 Br2 Cl4 N4 O4 Pt2 S2 -","2","1","","Nicasio-Collazo, Juan; Ramírez-García, Gonzalo; Flores-Álamo, Marcos; Gutiérrez-Granados, Silvia; Peralta-Hernández, Juan M.; Maldonado, José Luis; Jimenez-Halla, J. Oscar C.; Serrano, Oracio","A novel coordination mode of κ1-N-Br-pyridylbenz-(imida, oxa or othia)-zole to Pt(ii): synthesis, characterization, electrochemical and structural analysis","RSC Advances","2019","9","25","14033","","10.1039/C9RA01856E","","","0.71073","MoKα","","0.0376","0.03","","","0.0529","0.057","","","","","","1.055","","","","has coordinates","214992","2020-10-21","18:00:00",""
"7232721","29.7813","0.0012","15.7987","0.0007","23.7492","0.0009","90","","101.808","0.002","90","","10937.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C352 H288 Co16 N32 O80 -","8","2","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1456","0.085","","","0.2411","0.2894","","","","","","1.088","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232722","7.936","0.004","14.009","0.007","15.45","0.008","90","","92.041","0.006","90","","1716.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(def)(bpy)]NO3","","- C17 H16 Cu N4 O5 -","- C17 H16 Cu N4 O5 -","- C68 H64 Cu4 N16 O20 -","4","1","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1552","0.0618","","","0.124","0.1594","","","","","","0.994","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232723","30.071","0.003","7.8976","0.0006","23.8471","0.0017","90","","101.951","0.004","90","","5540.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44.12 H36 Co2 N4 O10 -","- C176.48 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1682","0.1391","","","0.2845","0.3033","","","","","","1.241","","","","has coordinates,has disorder","223489","2020-10-21","18:00:00",""
"7232724","23.7632","0.0011","9.8043","0.0005","20.3897","0.001","90","","102.36","0.002","90","","4640.3","0.4","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.0793","0.0431","","","0.0859","0.0996","","","","","","1.039","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232725","23.7504","0.0014","9.7971","0.0006","20.323","0.0012","90","","104.156","0.002","90","","4585.3","0.5","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1191","0.0489","","","0.1006","0.1371","","","","","","1.018","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232726","20.2486","0.001","6.7682","0.0002","20.858","0.001","90","","118.296","0.006","90","","2517","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O2 -","- C33 H27 N3 O2 -","- C132 H108 N12 O8 -","4","1","","Li, Chunmei; Zhang, Furen; Qi, Chenze","A multicomponent two-step strategy for the synthesis of polysubstituted pyrrolo[3,2-c]pyridin-4-ones using a solid acid as a recyclable catalyst","Green Chemistry","2019","21","11","3109","","10.1039/C9GC01120J","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","224632","2020-10-21","18:00:00",""
"7232727","4.799","0.0017","16.672","0.006","12.4","0.004","90","","89.94","0.002","90","","992.1","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N6 O2 -","- C19 H22 N6 O2 -","- C38 H44 N12 O4 -","2","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.1276","0.0876","","","0.2112","0.2319","","","","","","1.023","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7232728","17.578","0.011","8.18","0.005","10.632","0.007","90","","90","","90","","1528.8","1.7","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13.5 H11 N4 O3 Zn -","- C13.5 H11 N4 O3 Zn -","- C54 H44 N16 O12 Zn4 -","4","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.0641","0.0476","","","0.1216","0.1282","","","","","","1.019","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7232729","12.456","0.002","13.244","0.002","19.423","0.003","90.368","0.005","96.639","0.005","101.761","0.005","3114.4","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H68 N16 O8 Zn3 -","- C57 H68 N16 O8 Zn3 -","- C114 H136 N32 O16 Zn6 -","2","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.1054","0.0571","","","0.1427","0.1662","","","","","","1.02","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7232730","5.1481","0.0001","13.6138","0.0002","7.7426","0.0001","90","","90","","90","","542.642","0.015","298","2","298","2","","","0","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.71073","MoKα","","0.0287","0.0263","","","0.0676","0.0702","","","","","","0.823","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232731","4.9556","0.0009","13.322","0.004","6.874","0.002","90","","90","","90","","453.8","0.2","296","2","296","2","","","5.2","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0748","0.0593","","","0.1466","0.1545","","","","","","1.066","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232732","5.0359","0.0006","13.462","0.003","7.2375","0.0016","90","","90","","90","","490.65","0.16","296","2","296","2","","","2.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.081","0.064","","","0.135","0.1506","","","","","","1.089","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232733","4.879","0.003","13.135","0.008","6.658","0.006","90","","90","","90","","426.7","0.5","298","2","298","2","","","8.5","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0736","0.0617","","","0.1388","0.1423","","","","","","1.08","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232734","5.0055","0.0002","13.4104","0.0009","7.1162","0.0004","90","","90","","90","","477.68","0.05","296","2","296","2","","","3.23","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0671","0.0615","","","0.1476","0.1517","","","","","","1.052","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232735","5.0694","0.001","13.492","0.006","7.403","0.004","90","","90","","90","","506.3","0.4","296","2","296","2","","","1.26","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.139","0.0879","","","0.2063","0.2341","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232736","4.933","0.002","13.248","0.009","6.841","0.003","90","","90","","90","","447.1","0.4","298","2","298","2","","","5.91","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0753","0.0572","","","0.1389","0.1561","","","","","","1.126","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232737","4.9824","0.0006","13.353","0.003","7.0029","0.0014","90","","90","","90","","465.9","0.15","296","2","296","2","","","4.02","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0727","0.0622","","","0.1656","0.1718","","","","","","1.124","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232738","4.9715","0.0014","13.236","0.007","7.042","0.002","90","","90","","90","","463.4","0.3","298","2","298","2","","","3.97","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0886","0.0573","","","0.136","0.1447","","","","","","1.006","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232739","4.9154","0.0009","13.23","0.005","6.7665","0.0014","90","","90","","90","","440","0.2","296","2","296","2","","","6.67","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0936","0.0669","","","0.1462","0.1583","","","","","","1.106","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232740","4.9383","0.0019","13.25","0.005","6.841","0.003","90","","90","","90","","447.6","0.3","298","2","298","2","","","6.12","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0778","0.0636","","","0.1549","0.1613","","","","","","1.04","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232741","4.773","0.003","12.91","0.008","6.363","0.006","90","","90","","90","","392.1","0.5","298","2","298","2","","","15.78","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0667","","","0.1607","0.1757","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232742","4.799","0.002","12.972","0.005","6.432","0.003","90","","90","","90","","400.4","0.3","298","2","298","2","","","13.94","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0602","0.0546","","","0.1368","0.1401","","","","","","1.039","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232743","4.768","0.004","12.883","0.01","6.353","0.007","90","","90","","90","","390.2","0.6","298","2","298","2","","","17.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1161","0.0862","","","0.2167","0.2282","","","","","","1.114","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232744","4.771","0.003","12.903","0.006","6.361","0.004","90","","90","","90","","391.6","0.4","298","2","298","2","","","15.2","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0862","0.0653","","","0.1512","0.1613","","","","","","0.948","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232745","4.842","0.006","13.025","0.017","6.589","0.012","90","","90","","90","","415.5","1.1","298","2","298","2","","","9.82","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1438","0.0914","","","0.2197","0.245","","","","","","1.051","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232746","4.823","0.004","13.027","0.01","6.481","0.007","90","","90","","90","","407.2","0.6","298","2","298","2","","","11.19","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.079","0.0533","","","0.1332","0.1416","","","","","","1.037","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232747","4.62","0.009","12.52","0.02","6.037","0.014","90","","92.54","0.04","90","","348.9","1.2","298","2","298","2","","","22.31","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0917","0.0785","","","0.1805","0.196","","","","","","1.148","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232748","4.823","0.005","13.025","0.012","6.457","0.008","90","","90","","90","","405.6","0.8","298","2","298","2","","","13","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0649","0.0584","","","0.1492","0.1559","","","","","","1.266","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232749","4.735","0.005","12.823","0.013","6.275","0.008","90","","91.14","0.03","90","","380.9","0.7","298","2","298","2","","","18.2","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0782","","","0.1806","0.1918","","","","","","1.049","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232750","4.679","0.006","12.659","0.013","6.143","0.009","90","","91.42","0.03","90","","363.7","0.8","298","2","298","2","","","20.62","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1445","0.1115","","","0.273","0.2952","","","","","","1.18","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232751","7.9261","0.0019","11.402","0.003","15.557","0.004","90","","90","","90","","1405.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","furfural","furan-2-carbaldehyde","","- C5 H4 O2 -","- C5 H4 O2 -","- C60 H48 O24 -","12","3","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0428","0.0389","","","0.0988","0.1027","","","","","","1.077","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232752","5.8006","0.0013","7.8838","0.0018","11.355","0.003","94.479","0.004","92.173","0.004","96.464","0.004","513.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","furfurylamine","1-(2-furyl)methylamine","","- C5 H7 N O -","- C5 H7 N O -","- C20 H28 N4 O4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","0.71073","MoKα","","0.0948","0.074","","","0.2381","0.2524","","","","","","1.142","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232753","5.2801","0.0003","12.0768","0.0007","7.2295","0.0004","90","","98.788","0.001","90","","455.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-furonitrile","furan-2-carbonitrile","","- C5 H3 N O -","- C5 H3 N O -","- C20 H12 N4 O4 -","4","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0361","0.0361","","","0.1044","0.1045","","","","","","1.066","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232754","12.4727","0.0015","12.4727","0.0015","6.0594","0.0007","90","","90","","90","","942.65","0.19","100","2","100","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","2-methylfuran","","- C5 H6 O -","- C5 H6 O -","- C40 H48 O8 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0214","0.0207","","","0.0507","0.0509","","","","","","1.1","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232755","17.143","0.008","11.806","0.006","7.399","0.01","90","","90","","90","","1497","2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1488","0.0683","","","0.1635","0.2071","","","","","","1.082","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232756","12.9717","0.0015","17.1881","0.0009","13.0437","0.0019","90","","116.032","0.008","90","","2613.2","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1947","0.1291","","","0.3349","0.4172","","","","","","1.552","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232757","17.1202","0.0017","11.7968","0.0011","7.288","0.002","90","","90","","90","","1471.9","0.5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","0.71073","MoKα","","0.0955","0.0579","","","0.1272","0.147","","","","","","1.076","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232758","17.1522","0.0005","11.8201","0.0004","7.3985","0.0002","90","","90","","90","","1499.98","0.08","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","1.54178","CuKα","","0.0585","0.0448","","","0.1178","0.1223","","","","","","1.073","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232759","13.0234","0.0015","17.2078","0.0009","13.0925","0.0015","90","","116.209","0.007","90","","2632.4","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1259","0.0941","","","0.2449","0.2721","","","","","","1.065","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232760","10.567","0.0003","11.7875","0.0003","11.2791","0.0003","90","","101.443","0.003","90","","1376.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0887","0.0465","","","0.0992","0.1159","","","","","","1.009","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232761","10.5372","0.0006","11.191","0.006","10.8339","0.0007","90","","102.017","0.006","90","","1249.6","0.7","293","2","293","2","","","2000000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0997","0.0746","","","0.2039","0.2233","","","","","","1.118","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232762","10.5575","0.0008","11.58","0.007","11.1164","0.0008","90","","101.657","0.007","90","","1331","0.8","293","2","293","2","","","600000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.11","0.0777","","","0.1991","0.2229","","","","","","1.125","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232763","10.5403","0.001","11.077","0.01","10.7701","0.001","90","","101.972","0.008","90","","1230.1","1.1","293","2","293","2","","","2500000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1087","0.075","","","0.1924","0.2181","","","","","","1.086","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232764","10.5398","0.0006","11.142","0.005","10.8026","0.0006","90","","102.027","0.005","90","","1240.8","0.6","293","2","293","2","","","2300000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0996","0.0747","","","0.199","0.2185","","","","","","1.091","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232765","10.5441","0.0007","11.239","0.007","10.8819","0.0008","90","","101.974","0.006","90","","1261.5","0.8","293","2","293","2","","","1800000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1016","0.0778","","","0.2012","0.2201","","","","","","1.092","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232766","10.538","0.0007","11.433","0.007","10.992","0.0008","90","","101.824","0.006","90","","1296.2","0.8","293","2","293","2","","","1200000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1034","0.0731","","","0.1837","0.207","","","","","","1.095","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232767","10.3645","0.0003","10.3645","0.0003","10.3645","0.0003","90","","90","","90","","1113.38","0.06","302","2","302","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium strontium gallium silicon","","- Ga7.6 Na5.04 Si38.4 Sr2.96 -","- Ga7.6004 Na5.044 Si38.3996 Sr2.956 -","- Ga7.6004 Na5.044 Si38.3996 Sr2.956 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori","Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates","RSC Advances","2019","9","26","14586","","10.1039/C9RA01489F","","","0.71073","MoKα","","0.0124","0.0113","","","0.0255","0.0259","","","","","","1.225","","","","has coordinates","215028","2020-10-21","18:00:00",""
"7232768","10.3804","0.0004","10.3804","0.0004","10.3804","0.0004","90","","90","","90","","1118.52","0.07","302","2","302","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium strontium gallium silicon","","- Ga9.1 Na3.92 Si36.9 Sr4.08 -","- Ga9.0976 Na3.922 Si36.9024 Sr4.078 -","- Ga9.0976 Na3.922 Si36.9024 Sr4.078 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori","Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates","RSC Advances","2019","9","26","14586","","10.1039/C9RA01489F","","","0.71073","MoKα","","0.0147","0.0134","","","0.0311","0.0314","","","","","","1.146","","","","has coordinates","215028","2020-10-21","18:00:00",""
"7232769","10.3747","0.0003","10.3747","0.0003","10.3747","0.0003","90","","90","","90","","1116.67","0.06","302","2","302","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium strontium gallium silicon","","- Ga8.4 Na4.2 Si37.6 Sr3.8 -","- Ga8.3984 Na4.2 Si37.6016 Sr3.8 -","- Ga8.3984 Na4.2 Si37.6016 Sr3.8 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori","Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates","RSC Advances","2019","9","26","14586","","10.1039/C9RA01489F","","","0.71073","MoKα","","0.0125","0.0113","","","0.0283","0.0287","","","","","","1.191","","","","has coordinates","215028","2020-10-21","18:00:00",""
"7232770","9.982","0.004","10.918","0.003","15.273","0.002","90","","107.315","0.005","90","","1589.1","0.8","205","","205","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N5 O4 -","- C13 H19 N5 O4 -","- C52 H76 N20 O16 -","4","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.0847","0.0499","","","0.129","0.1512","","","","","","0.96","","","","has coordinates","223615","2020-10-21","18:00:00",""
"7232771","9.0858","0.0009","11.9718","0.0012","16.5784","0.0017","69.9","0.001","75.107","0.002","67.877","0.003","1551.8","0.3","205","2","205","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 N10 O9 -","- C26 H40 N10 O9 -","- C52 H80 N20 O18 -","2","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.1049","0.0535","","","0.1125","0.1369","","","","","","0.962","","","","has coordinates","223615","2020-10-21","18:00:00",""
"7232772","10.5578","0.0011","7.5212","0.0016","15.993","0.002","90","","108.303","0.011","90","","1205.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br O -","- C13 H15 Br O -","- C52 H60 Br4 O4 -","4","1","","Chen, Chao; Kang, Jun-Chen; Mao, Chen; Dong, Jia-Wei; Xie, Yu-Yang; Ding, Tong-Mei; Tu, Yong-Qiang; Chen, Zhi-Min; Zhang, Shu-Yu","Electrochemical halogenation/semi-pinacol rearrangement of allylic alcohols using inorganic halide salt: an eco-friendly route to the synthesis of β-halocarbonyls","Green Chemistry","2019","21","15","4014","","10.1039/C9GC01152H","","","1.54178","CuKα","","0.057","0.0543","","","0.1928","0.1968","","","","","","1.121","","","","has coordinates","224628","2020-10-21","18:00:00",""
"7232773","7.491","0.0004","11.4453","0.0006","13.0462","0.0006","100.758","0.004","92.216","0.004","93.539","0.004","1095.35","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N10 O -","- C24 H20 N10 O -","- C48 H40 N20 O2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0405","0.0378","","","0.0954","0.0979","","","","","","1.035","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232774","17.897","0.002","14.8153","0.0015","21.628","0.002","90","","98.305","0.011","90","","5674.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20.4 Cl5 Cu N10 O0.7 -","- C25 H19 Cl5 Cu N10 O0.7 -","- C200 H152 Cl40 Cu8 N80 O5.6 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1026","0.0636","","","0.1526","0.1708","","","","","","1.063","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232775","10.9739","0.0006","12.7951","0.0007","13.6318","0.0006","104.805","0.004","96.979","0.004","91.525","0.005","1833.5","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br6 N12 O6 Zn -","- C25 H19 Br3 N12 O6 Zn -","- C50 H38 Br6 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0809","0.0682","","","0.1898","0.2018","","","","","","1.094","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232776","12.359","0.01","12.665","0.009","13.855","0.01","75.7","0.03","72.44","0.02","87.55","0.04","2002","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O6 Zn -","- C24 H18 N12 O6 Zn -","- C48 H36 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.121","0.0941","","","0.2594","0.278","","","","","","1.009","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232777","18.5353","0.0015","15.4936","0.0015","21.554","0.002","90","","96.986","0.002","90","","6143.9","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C228 H228 Cl16 Mn8 N92 O12 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0863","0.0542","","","0.1229","0.1436","","","","","","1.009","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232778","14.917","0.003","20.459","0.004","15.642","0.003","90","","116.312","0.003","90","","4279.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C192 H144 N80 -","8","2","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1053","0.0548","","","0.1322","0.1613","","","","","","1.011","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232779","29.6595","0.0007","12.2726","0.0005","32.6526","0.0009","90","","100.427","0.002","90","","11689.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H55.5 Cl2 Fe N20 O9.75 -","- C48 H38 Cl2 Fe N20 O3 -","- C384 H304 Cl16 Fe8 N160 O24 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0936","0.0719","","","0.1944","0.2122","","","","","","1.024","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232780","19.885","0.006","21.893","0.006","14.279","0.004","90","","126.457","0.003","90","","5000","2","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H19 N12 O4 Zn2 -","- C21 H17 N12 O4 Zn2 -","- C84 H68 N48 O16 Zn8 -","4","0.5","","Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao","A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid","CrystEngComm","2019","21","24","3679","","10.1039/C9CE00513G","","","0.71073","MoKα","","0.068","0.0548","","","0.2038","0.2144","","","","","","1.226","","","","has coordinates","223477","2020-10-21","18:00:00",""
"7232781","9.8451","0.0003","15.1918","0.0004","7.4842","0.0002","90","","108.573","0.003","90","","1061.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-lutidinium hydrogen fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Corlett, Emily K.; Blade, Helen; Hughes, Leslie P.; Sidebottom, Philip J.; Walker, David; Walton, Richard I.; Brown, Steven P.","An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate","CrystEngComm","2019","21","22","3502","","10.1039/C9CE00633H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.0982","0.1018","","","","","","1.033","","","","has coordinates","223494","2020-10-21","18:00:00",""
"7232782","7.402","0.002","22.549","0.007","9.801","0.003","90","","101.137","0.005","90","","1605.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.0789","0.0453","","","0.0931","0.1049","","","","","","1.056","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232783","22.1033","0.0004","22.4179","0.0003","17.5597","0.0003","90","","125.335","0.002","90","","7098.1","0.3","150.01","0.1","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H51 N6 O23 Zn4 -","- C60 H37 N6 O16 Zn4 -","- C240 H148 N24 O64 Zn16 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","1.54178","CuKα","","0.0522","0.0477","","","0.1272","0.1312","","","","","","1.034","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232784","8.688","0.003","14.484","0.005","13.227","0.004","90","","99.333","0.006","90","","1642.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.1033","0.049","","","0.1002","0.1197","","","","","","1.055","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232785","15.074","0.0009","16.3655","0.0008","10.016","0.0004","90","","94.591","0.004","90","","2463","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O6 Zn -","- C20 H14 N2 O6 Zn -","- C80 H56 N8 O24 Zn4 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","1.54178","CuKα","","0.097","0.074","","","0.1845","0.1967","","","","","","1.016","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232786","10.025","0.003","21.289","0.006","10.318","0.003","90","","104.201","0.005","90","","2134.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cd N3 O6 -","- C23 H19 Cd N3 O6 -","- C92 H76 Cd4 N12 O24 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.075","0.045","","","0.0984","0.1134","","","","","","1.028","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232787","31.546","0.004","34.778","0.005","17.965","0.002","90","","119.169","0.002","90","","17210","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H86 Cd4 N8 O39 -","- C80 H48 Cd4 N8 O39 -","- C640 H384 Cd32 N64 O312 -","8","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.1582","0.0713","","","0.1599","0.2039","","","","","","1.01","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232788","8.8518","0.0002","15.3215","0.0003","10.3543","0.0003","90","","113.274","0.001","90","","1290.01","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","2","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0229","0.0221","","","0.0558","0.0565","","","","","","1.055","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232789","17.616","0.003","5.6004","0.001","12.779","0.002","90","","98.051","0.006","90","","1248.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0853","0.0572","","","0.1196","0.1317","","","","","","1.107","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232790","10.8013","0.0002","15.1552","0.0003","12.7524","0.0003","90","","94.871","0.001","90","","2079.98","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C90 H66 I6 N12 O6 -","6","3","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0188","0.0181","","","0.0369","0.0373","","","","","","1.074","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232791","6.4513","0.0003","7.9032","0.0003","23.1654","0.0009","90","","96.107","0.001","90","","1174.41","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F N2 O -","- C15 H11 F N2 O -","- C60 H44 F4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.043","0.0387","","","0.0953","0.0979","","","","","","1.105","","","","has coordinates,has disorder","223493","2020-10-21","18:00:00",""
"7232792","15.8947","0.0003","21.2266","0.0004","8.0859","0.0001","90","","90","","90","","2728.11","0.08","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C120 H88 I8 N16 O8 -","8","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0136","0.0134","","","0.0332","0.0333","","","","","","1.081","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232793","21.525","0.001","9.597","0.0005","14.745","0.0006","90","","121.67","0.03","90","","2592.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Br F3 N O2 -","- C12 H11 Br F3 N O2 -","- C96 H88 Br8 F24 N8 O16 -","8","1","","Zou, Long; Li, Pinhua; Wang, Bin; Wang, Lei","Visible-light-induced radical cyclization of N-allylbenzamides with CF3SO2Na to trifluoromethylated dihydroisoquinolinones in water at room temperature","Green Chemistry","2019","21","12","3362","","10.1039/C9GC00938H","","","0.71073","MoKα","","0.1948","0.0612","","","0.0886","0.1127","","","","","","0.859","","","","has coordinates","224635","2020-10-21","18:00:00",""
"7232794","31.299","0.003","11.9822","0.0009","19.7406","0.0016","90","","122.827","0.0013","90","","6221.1","0.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cu N3 O6 -","- C27 H21 Cu N3 O6 -","- C216 H168 Cu8 N24 O48 -","8","1","","Cai, Shao-Lan; Yang, Zi-Chuan; Wu, Ke-Yang; Fan, Cheng; Zhai, Ling-Yan; Huang, Nai-Han; Li, Rong-Tian; Duan, Wen-Jun; Chen, Jin-Xiang","Experimental and computational investigation of a DNA-shielded 3D metal‒organic framework for the prompt dual sensing of Ag+ and S2−","RSC Advances","2019","9","27","15424","","10.1039/C9RA02028D","","","0.71073","MoKα","","0.0428","0.0376","","","0.1169","0.1209","","","","","","1.118","","","","has coordinates","215239","2020-10-21","18:00:00",""
"7232795","10.5641","0.0006","12.9718","0.0007","15.3593","0.0008","77.698","0.004","82.402","0.004","79.796","0.004","2014.12","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Ag N3 O3 P2 S -","- C42.173 H40 Ag N3 O3 P2 S -","- C84.346 H80 Ag2 N6 O6 P4 S2 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","1.54184","CuKα","","0.0668","0.0548","","","0.1389","0.1469","","","","","","1.083","","","","has coordinates,has disorder","215241","2020-10-21","18:00:00",""
"7232796","10.124","0.0004","13.4635","0.0006","14.1829","0.0006","77.466","0.004","78.784","0.004","78.993","0.004","1828.61","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37 Ag N2 O P2 S -","- C41 H37 Ag N2 O P2 S -","- C82 H74 Ag2 N4 O2 P4 S2 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","0.71073","MoKα","","0.0575","0.0393","","","0.1125","0.1339","","","","","","0.87","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232797","25.2895","0.0007","13.2208","0.0002","23.5888","0.0007","90","","125.671","0.004","90","","6407.1","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H56 Ag2 N10 O8 P4 S2 -","- C60 H56 Ag2 N10 O8 P4 S2 -","- C240 H224 Ag8 N40 O32 P16 S8 -","4","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","","1.54184","CuKα","","0.0467","0.0383","","","0.104","0.1101","","","","","","1.054","","","","has coordinates,has disorder","215241","2020-10-21","18:00:00",""
"7232798","9.221","0.0003","25.4962","0.0008","17.0609","0.0005","90","","100.83","0.003","90","","3939.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Ag N5 O3 P2 S -","- C41 H34 Ag N5 O3 P2 S -","- C164 H136 Ag4 N20 O12 P8 S4 -","4","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","","1.54184","CuKα","","0.0608","0.0464","","","0.1153","0.1253","","","","","","1.026","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232799","12.5062","0.0007","13.1744","0.0007","15.128","0.0007","99.534","0.004","103.826","0.005","114.897","0.005","2092.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Ag N3 O5 P2 S -","- C40 H36 Ag N3 O5 P2 S -","- C80 H72 Ag2 N6 O10 P4 S2 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","1.54184","CuKα","","0.0519","0.0449","","","0.1161","0.1226","","","","","","1.028","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232800","13.6628","0.0004","16.2436","0.0005","18.841","0.0006","90","","105.902","0.003","90","","4021.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 Ag N3 O3 P2 S -","- C43 H44 Ag N3 O3 P2 S -","- C172 H176 Ag4 N12 O12 P8 S4 -","4","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","0.71073","MoKα","","0.0702","0.0449","","","0.0962","0.1121","","","","","","1.085","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232801","5.2919","0.0011","28.317","0.006","8.7074","0.0019","90","","103.268","0.004","90","","1270","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","2","","Chen, Ziyi; Yin, Xuguang; Dong, Xiu-Qin; Zhang, Xumu","Efficient access to chiral dihydrobenzoxazinones via Rh-catalyzed hydrogenation","RSC Advances","2019","9","27","15466","","10.1039/C9RA02694K","","","0.71073","MoKα","","0.0834","0.0444","","","0.0835","0.0992","","","","","","1.019","","","","has coordinates,has disorder","215242","2020-10-21","18:00:00",""
"7232802","20.0543","0.0006","8.8607","0.0003","25.1405","0.0008","90","","90","","90","","4467.3","0.2","170","2","170.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.1829","0.0926","","","0.1703","0.2082","","","","","","1.069","","","","has coordinates,has disorder","223468","2020-10-21","18:00:00",""
"7232803","16.755","0.0008","19.747","0.001","7.6891","0.0004","90","","98.211","0.003","90","","2517.9","0.2","170","2","170.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 O2 -","- C28 H24 F2 N2 O2 -","- C112 H96 F8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.094","0.0713","","","0.2004","0.219","","","","","","1.056","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232804","17.384","0.004","19.973","0.005","7.823","0.002","90","","98.17","0.01","90","","2688.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O2 -","- C28 H24 Br2 N2 O2 -","- C112 H96 Br8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1311","0.0719","","","0.1798","0.2155","","","","","","1.021","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232805","17.277","0.002","19.953","0.003","7.804","0.0011","90","","98.811","0.005","90","","2658.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1443","0.0692","","","0.1488","0.1926","","","","","","1.016","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232806","17.6331","0.0003","11.84939","0.00019","12.12535","0.00019","90","","107.477","0.0017","90","","2416.54","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N3 S6 Sb -","- C18 H30 N3 S6 Sb -","- C72 H120 N12 S24 Sb4 -","4","1","","Kun, Walter N.; McNaughter, Paul D.; Nyamen, Linda D.; Spencer, Ben F.; O'Brien, Paul; Ndifon, Peter T.; Revaprasadu, Neerish","Synthesis of (Bi1−xSbx)2S3 solid solutions via thermal decomposition of bismuth and antimony piperidinedithiocarbamates","RSC Advances","2019","9","28","15836","","10.1039/C9RA01127G","","x-ray","1.54184","CuKα","","0.0179","0.0172","","","0.0422","0.0426","","","","","","1.056","","","","has coordinates","215390","2020-10-21","18:00:00",""
"7232807","7.458","0.0004","10.663","0.0006","15.677","0.0007","82.162","0.002","87.933","0.002","72.31","0.002","1176.64","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[tetraaqua(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)]","","- C18 H17 Br3 Dy N3 O10 -","- C18 H17 Br3 Dy N3 O10 -","- C36 H34 Br6 Dy2 N6 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0446","0.0275","","","0.0418","0.0448","","","","","","1.024","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232808","11.61","0.0005","15.8524","0.0008","16.6978","0.0006","90","","90.443","0.003","90","","3073.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)ytterbium(III)] [diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Yb -","- C24 H19 Br4 N4 O11 Yb -","- C96 H76 Br16 N16 O44 Yb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.1166","0.0558","","","0.0721","0.0847","","","","","","1.023","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232809","10.163","0.0005","11.526","0.0006","11.611","0.0006","88.319","0.002","85.525","0.002","69.254","0.002","1268.03","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","poly-{[triaquabis(mu-5-bromonicotinato-kO:kO')(5-bromonicotinato-kO)neodymium(III)] hydrate}","","- C18 H17 Br3 N3 Nd O10 -","- C18 H17 Br3 N3 Nd O10 -","- C36 H34 Br6 N6 Nd2 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0431","0.0278","","","0.0465","0.05","","","","","","1.017","","","","has coordinates,has disorder","223614","2020-10-21","18:00:00",""
"7232810","11.686","0.0006","15.9703","0.0009","16.7415","0.0009","90","","90.246","0.002","90","","3124.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)terbium(III)][diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)terbium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Tb -","- C24 H19 Br4 N4 O11 Tb -","- C96 H76 Br16 N16 O44 Tb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0613","0.0355","","","0.0597","0.0666","","","","","","1.03","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232811","11.5969","0.0005","13.4458","0.0006","15.9778","0.0009","90","","107.103","0.008","90","","2381.2","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3',6,6'-tetramethoxybianthrone","3,3',6,6'-tetramethoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C32 H24 O6 -","- C32 H24 O6 -","- C128 H96 O24 -","4","0.5","","Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi","Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01836K","","","0.71075","MoKα","","0.0533","0.0399","","","0.1003","0.107","","","","","","1.028","","","","has coordinates","215437","2020-10-21","18:00:00",""
"7232812","25.4848","0.0018","7.819","0.0006","13.9952","0.0011","90","","92.559","0.007","90","","2786","0.4","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3',6,6'-tetramethoxy-[9,9'-bianthracene]-10,10'(9H,9'H)-dione","","- C32 H26 O6 -","- C32 H26 O6 -","- C128 H104 O24 -","4","0.5","","Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi","Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01836K","","","0.71075","MoKα","","0.0595","0.0454","","","0.1725","0.195","","","","","","0.808","","","","has coordinates","215437","2020-10-21","18:00:00",""
"7232813","14.6764","0.0007","8.3407","0.0004","16.8021","0.0008","90","","101.397","0.002","90","","2016.21","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N6 O11 S2 Zn2 -","- C12 H20 N6 O11 S2 Zn2 -","- C48 H80 N24 O44 S8 Zn8 -","4","0.5","","Ma, Yike; Huang, Liangliang; Xiu, Zhijia; Yang, Yuheng; Wang, Xiaodong; Yin, Yanzhen; Bi, Yanfeng; Zheng, Zhiping","High proton conductivity behavior in a 2D metal sulfite constructed from a histidine ligand","RSC Advances","2019","9","28","16130","","10.1039/C9RA01584A","","","0.71073","MoKα","","0.035","0.0258","","","0.0574","0.0608","","","","","","1.053","","","","has coordinates","215438","2020-10-21","18:00:00",""
"7232814","18.4694","0.0007","18.4694","0.0007","61.6922","0.0019","90","","90","","90","","21044.4","1.3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C104.5 H82 Cl Co4 N16 O24.5 -","- C104.52 H82.04 Cl Co4 N16 O24.5 -","- C836.16 H656.32 Cl8 Co32 N128 O196 -","8","0.25","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1448","0.1276","","","0.2955","0.3064","","","","","","1.317","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232815","10.7442","0.0017","12.3398","0.0019","12.8388","0.0018","66.107","0.005","78.733","0.006","82.276","0.006","1523.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","1","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1234","0.061","","","0.1311","0.1775","","","","","","1.073","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232816","6.3774","0.0004","17.5788","0.0011","22.2159","0.0016","90","","93.83","0.007","90","","2485","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0669","0.0456","","","0.0996","0.1083","","","","","","1.068","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232817","13.1863","0.0005","17.4063","0.0007","9.3405","0.0004","90","","90","","90","","2143.88","0.15","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0305","0.0266","","","0.0687","0.0708","","","","","","1.059","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232818","21.3071","0.0014","17.9878","0.001","19.088","0.0011","90","","96.875","0.007","90","","7263.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Co4 N12 O14 -","- C54 H38 Co4 N12 O14 -","- C216 H152 Co16 N48 O56 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0825","0.0558","","","0.1386","0.1487","","","","","","1.031","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232819","10.9672","0.0006","17.424","0.0011","11.3309","0.0006","90","","90.75","0.006","90","","2165.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C88 H88 Co4 N16 O24 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.709317","MOKα","","0.1606","0.1231","","","0.2855","0.2999","","","","","","1.2","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232820","7.7324","0.0004","11.8306","0.0006","27.4051","0.0013","90","","94.226","0.002","90","","2500.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C108 H132 B4 N8 O16 -","4","1","","El-Ali, H. A. Abdulhadi; Jing, Jing; Zhang, Xiaoling","Solid-state emissive O-BODIPY dyes with bimodal emissions across red and near infrared region","RSC Advances","2019","9","28","16246","","10.1039/C8RA10296A","","","0.71073","MoKα","","0.0998","0.0713","","","0.2144","0.2424","","","","","","1.028","","","","has coordinates,has disorder","215466","2020-10-21","18:00:00",""
"7232821","12.5136","0.0006","7.6846","0.0003","23.2996","0.0012","90","","96.257","0.002","90","","2227.19","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B N2 O3 -","- C25 H29 B N2 O3 -","- C100 H116 B4 N8 O12 -","4","1","","El-Ali, H. A. Abdulhadi; Jing, Jing; Zhang, Xiaoling","Solid-state emissive O-BODIPY dyes with bimodal emissions across red and near infrared region","RSC Advances","2019","9","28","16246","","10.1039/C8RA10296A","","","0.71073","MoKα","","0.0994","0.0722","","","0.1934","0.2225","","","","","","1.04","","","","has coordinates","215466","2020-10-21","18:00:00",""
"7232822","24.7046","0.0012","14.523","0.0009","22.3879","0.0012","90","","90","","90","","8032.4","0.8","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C120 H96 N4 O32 Zn6 -","- C120 H96 N4 O32 Zn6 -","- C240 H192 N8 O64 Zn12 -","2","0.5","","Xu, W.; Yu, S. S.; Zhang, H.; Duan, H. B.","A three-dimensional metal‒organic framework for a guest-free ultra-low dielectric material","RSC Advances","2019","9","28","16183","","10.1039/C9RA03032H","","x-ray","0.71073","MoKα","","0.1014","0.0884","","","0.2323","0.2429","","","","","","1.054","","","","has coordinates","215467","2020-10-21","18:00:00",""
"7232823","4.531","0.0007","11.5783","0.0001","15.7188","0.0002","90","","93.69","0.01","90","","822.92","0.13","","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theophylline","1,3-dimethylxanthine","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Larsen, Anders S.; Olsen, Mark A.; Moustafa, Hadeel; Larsen, Flemming H.; Sauer, Stephan P. A.; Rantanen, Jukka; Madsen, Anders Ø.","Determining short-lived solid forms during phase transformations using molecular dynamics","CrystEngComm","2019","21","27","4020","","10.1039/C9CE00460B","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","8","","","","","","","has coordinates","223503","2020-10-21","18:00:00",""
"7232824","32.044","0.001","9.8805","0.0003","21.1886","0.0007","90","","92.986","0.001","90","","6699.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 Cu4 N6 O22 -","- C68 H58 Cu4 N6 O22 -","- C272 H232 Cu16 N24 O88 -","4","0.5","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Das, Amal; Verma, Akalesh K.; Frontera, Antonio","Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies","RSC Advances","2019","9","29","16339","","10.1039/C9RA01181A","","","0.71073","MoKα","","0.0678","0.0454","","","0.1266","0.1423","","","","","","1.011","","","","has coordinates","215521","2020-10-21","18:00:00",""
"7232825","10.4496","0.0003","21.2448","0.0007","11.214","0.0004","90","","117.886","0.002","90","","2200.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu N2 O5 -","- C26 H20 Cu N2 O5 -","- C104 H80 Cu4 N8 O20 -","4","1","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Das, Amal; Verma, Akalesh K.; Frontera, Antonio","Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies","RSC Advances","2019","9","29","16339","","10.1039/C9RA01181A","","","0.71073","MoKα","","0.0433","0.0356","","","0.0927","0.0969","","","","","","1.129","","","","has coordinates","215521","2020-10-21","18:00:00",""
"7232826","9.5272","0.0004","10.6671","0.0005","11.645","0.0005","100.807","0.001","98.542","0.001","115.054","0.001","1017.95","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Cu2 N3 O8 -","- C19 H14 Cu2 N3 O8 -","- C38 H28 Cu4 N6 O16 -","2","1","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","0.71073","MoKα","","0.0473","0.0355","","","0.0901","0.0966","","","","","","1.032","","","","has coordinates,has disorder","215522","2020-10-21","18:00:00",""
"7232827","8.034","0.002","9.981","0.002","18.072","0.004","87.73","0.008","83.662","0.008","76.257","0.008","1398.9","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 N6 Ni3 O18 -","- C60 H46 N6 Ni3 O18 -","- C60 H46 N6 Ni3 O18 -","1","0.5","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","","","","0.127","","","","","","","","","","","","","","","has coordinates","215522","2020-10-21","18:00:00",""
"7232828","11.1024","0.0008","11.5542","0.0009","12.452","0.0009","72.963","0.002","72.622","0.002","67.195","0.002","1376.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 Ni2 O11 -","- C27 H22 N2 Ni2 O11 -","- C54 H44 N4 Ni4 O22 -","2","1","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","0.71073","MoKα","","0.0388","0.0355","","","0.0955","0.1016","","","","","","1.047","","","","has coordinates","215522","2020-10-21","18:00:00",""
"7232829","10.0683","0.0008","10.8967","0.0009","11.0913","0.0009","89.393","0.003","85.366","0.002","64.932","0.002","1098.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cu3 N4 O14 -","- C50 H30 Cu3 N4 O14 -","- C50 H30 Cu3 N4 O14 -","1","0.5","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","0.71073","MoKα","","0.0578","0.0403","","","0.0919","0.1","","","","","","1.022","","","","has coordinates","215522","2020-10-21","18:00:00",""
"7232830","13.9796","0.0003","14.177","0.0004","15.0473","0.0004","63.634","0.002","81.097","0.002","65.518","0.002","2430.18","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 F12 N4 O16 Pr2 -","- C48 H24 F12 N4 O16 Pr2 -","- C96 H48 F24 N8 O32 Pr4 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","","0.71073","MoKα","","0.0359","0.03","","","0.0709","0.0751","","","","","","1.003","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232831","14.9184","0.0005","15.1786","0.0005","17.7883","0.0006","93.934","0.003","106.565","0.003","106.133","0.003","3660.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 Er3 F20 N6 O21 -","- C75 H31 Er3 F20 N6 O21 -","- C150 H62 Er6 F40 N12 O42 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.0589","0.0481","","","0.1123","0.1196","","","","","","1.061","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232832","13.9964","0.0005","14.2024","0.0006","15.0892","0.0005","63.613","0.004","81.067","0.003","65.615","0.004","2445.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 F12 Ho2 N4 O16 -","- C48 H24 F12 Ho2 N4 O16 -","- C96 H48 F24 Ho4 N8 O32 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","","0.71073","MoKα","","0.039","0.0333","","","0.0909","0.0952","","","","","","1.02","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232833","14.8821","0.0004","15.1295","0.0004","17.7317","0.0005","94.076","0.002","106.643","0.002","106.28","0.002","3621.74","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 F20 N6 O21 Yb3 -","- C75 H31 F20 N6 O21 Yb3 -","- C150 H62 F40 N12 O42 Yb6 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.0405","0.0332","","","0.0734","0.0772","","","","","","1.03","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232834","11.306","0.0003","12.848","0.0003","13.3042","0.0003","101.991","0.002","97.461","0.002","105.574","0.002","1785.3","0.08","286.13","0.1","286.13","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H19 F8 N4 Nd O9 -","- C40 H19 F8 N4 Nd O9 -","- C80 H38 F16 N8 Nd2 O18 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.0279","0.0256","","","0.0561","0.0572","","","","","","1.065","","","","has coordinates","215523","2020-10-21","18:00:00",""
"7232835","14.9346","0.0006","15.1836","0.0006","17.8339","0.0007","93.954","0.003","106.671","0.003","106.149","0.004","3672.2","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 Dy0.375 F2 N0.75 O2.75 -","- C9.5 Dy0.375 F2 N0.75 O2.75 -","- C152 Dy6 F32 N12 O44 -","16","8","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.088","0.0599","","","0.1489","0.1738","","","","","","0.9897","","","","has coordinates","215523","2020-10-21","18:00:00",""
"7232836","12.3821","0.0005","8.3089","0.0004","21.5533","0.0008","90","","105.353","0.004","90","","2138.3","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Gong, Ming; Kim, Jung Keun; Zhao, Xiuli; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie","Visible-light-induced α-oxyamination of 1,3-dicarbonyls with TEMPO via a photo(electro)catalytic process applying a DSSC anode or in a DSSC system","Green Chemistry","2019","21","13","3615","","10.1039/C9GC01154D","","x-ray","1.54184","CuKα","","0.0681","0.0479","","","0.1208","0.1402","","","","","","1.016","","","","has coordinates","224615","2020-10-21","18:00:00",""
"7232837","6.4179","0.0005","7.4575","0.0005","10.8598","0.0008","74.881","0.005","74.297","0.005","88.026","0.006","482.68","0.06","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","1","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0902","0.0579","","","0.1584","0.1748","","","","","","1.009","","","","has coordinates","223616","2020-10-21","18:00:00",""
"7232838","8.9135","0.0017","14.392","0.003","6.7544","0.0014","90","","110.499","0.004","90","","811.6","0.3","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0779","0.0556","","","0.1599","0.1751","","","","","","1.03","","","","has coordinates","223616","2020-10-21","18:00:00",""
"7232839","8.5571","0.0003","11.9579","0.0005","15.1881","0.0005","111.799","0.003","92.248","0.003","99.262","0.003","1415.84","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Mo2 N5 O9 -","- C27 H23 Mo2 N5 O9 -","- C54 H46 Mo4 N10 O18 -","2","1","","Li, Minyuan M.; Claire, F. James; Solomos, Marina A.; Tenney, Stephanie M.; Ivanov, Sergei A.; Siegler, Maxime A.; Kempa, Thomas J.","Molecular chains of coordinated dimolybdenum isonicotinate paddlewheel clusters","RSC Advances","2019","9","29","16492","","10.1039/C9RA03572A","","","0.71073","MoKα","","0.0508","0.0328","","","0.0564","0.062","","","","","","1.059","","","","has coordinates,has disorder","215584","2020-10-21","18:00:00",""
"7232840","10.877","0.013","10.877","0.013","10.877","0.013","90","","90","","90","","1287","3","243","2","243","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C7 H18 B F4 N3 -","- C7 H18 B F3.9996 N3 -","- C28 H72 B4 F15.9984 N12 -","4","0.0416667","","Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.","Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01740B","","","0.71073","MoKα","","0.1168","0.045","","","0.1502","0.1922","","","","","","0.998","","","","has coordinates,has disorder","215602","2020-10-21","18:00:00",""
"7232841","7.9127","0.0008","8.1869","0.0008","8.5091","0.0008","88.249","0.008","63.336","0.01","73.529","0.008","469.37","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 F6 N4 O4 S2 -","- C9 H18 F6 N4 O4 S2 -","- C9 H18 F6 N4 O4 S2 -","1","0.5","","Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.","Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01740B","","","1.54184","CuKα","","0.0898","0.0746","","","0.2215","0.2508","","","","","","1.068","","","","has coordinates,has disorder","215602","2020-10-21","18:00:00",""
"7232842","10.9739","0.0003","10.9739","0.0003","10.9739","0.0003","90","","90","","90","","1321.55","0.06","123","2","123","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C7 H18 F6 N3 P -","- C7 H18 F6 N3 P -","- C28 H72 F24 N12 P4 -","4","0.166667","","Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.","Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01740B","","","0.71073","MoKα","","0.0407","0.0234","","","0.0479","0.0539","","","","","","1.192","","","","has coordinates,has disorder","215602","2020-10-21","18:00:00",""
"7232843","13.715","0.0003","8.6718","0.0002","15.6538","0.0004","90","","102.306","0.002","90","","1818.99","0.08","253","2","253","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 F6 N4 O4 S2 -","- C9 H18 F6 N4 O4 S2 -","- C36 H72 F24 N16 O16 S8 -","4","1","","Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.","Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01740B","","","1.54184","CuKα","","0.0516","0.0433","","","0.1171","0.1254","","","","","","1.041","","","","has coordinates,has disorder","215602","2020-10-21","18:00:00",""
"7232844","12.1578","0.0003","3.7938","0.0001","23.0837","0.0006","90","","95.103","0.002","90","","1060.5","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpF","4-Fluorobenzene-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0493","0.0431","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232845","12.0058","0.0009","3.7726","0.0006","24.477","0.003","90","","93.046","0.011","90","","1107.1","0.2","294","2","294","1","","","","","","","","5","I 1 a 1","I -2ya","9","CmmCl","3-Chlorophenyl-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1426","0.0808","","","0.1828","0.233","","","","","","1.046","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232846","13.2502","0.0003","3.8621","0.0001","22.9979","0.0008","90","","94.861","0.002","90","","1172.65","0.06","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpBr","4-Bromobenzene-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0888","0.0499","","","0.0776","0.0902","","","","","","1.029","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232847","26.1331","0.0019","3.7572","0.0003","11.9066","0.0007","90","","115.765","0.008","90","","1052.85","0.15","294","2","294","1","","","","","","","","5","C 1 c 1","C -2yc","9","CmmF","3-Fluorophenyl-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0664","0.0529","","","0.1163","0.1255","","","","","","1.071","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232848","3.8471","0.0004","11.6218","0.0019","12.467","0.002","108.261","0.015","90.417","0.011","95.461","0.011","526.52","0.14","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopF","4-Fluorophenyl-N-2-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C24 H18 F2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0823","0.0456","","","0.0962","0.1144","","","","","","1.023","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232849","3.8776","0.0009","11.481","0.004","13.085","0.005","105.84","0.03","90.64","0.02","92.82","0.02","559.5","0.3","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopCl","4-Chlorophenyl-N-2-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C24 H18 Cl2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1604","0.0787","","","0.1726","0.2243","","","","","","0.998","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232850","11.349","0.006","3.9443","0.0016","26.137","0.008","90","","101.34","0.05","90","","1147.2","0.9","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CopBr","4-Bromophenyl-N-2-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","x-ray","1.54184","CuKα","","0.0927","0.0702","","","0.1876","0.2152","","","","","","1.03","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232851","3.8827","0.0005","24.756","0.002","17.742","0.002","90","","91.789","0.014","90","","1704.5","0.3","294","2","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","CmmBr","3-Bromophenyl-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C72 H54 Br6 N12 O12 -","6","3","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.2284","0.0517","","","0.0745","0.0958","","","","","","0.63","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232852","12.9792","0.0003","3.8079","0.0001","23.0781","0.0006","90","","95.036","0.002","90","","1136.2","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpCl","4-Chlorobenzene-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0556","0.0472","","","0.1212","0.1285","","","","","","1.11","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232853","4.755","0.015","6.057","0.019","27.46","0.09","86.36","0.09","89.245","0.01","84","0.06","785","4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.1026","0.0616","","","0.1529","0.212","","","","","","1.051","","","","has coordinates","215648","2020-10-21","18:00:00",""
"7232854","4.638","0.003","9.316","0.005","24.909","0.014","91.765","0.012","91.622","0.012","92.166","0.015","1074.5","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H66 N2 O4 -","- C52 H66 N2 O4 -","- C52 H66 N2 O4 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.0806","0.0491","","","0.1172","0.1352","","","","","","1.073","","","","has coordinates","215648","2020-10-21","18:00:00",""
"7232855","4.483","0.003","16.529","0.001","21.775","0.013","85.587","0.01","88.775","0.017","87.293","0.012","1606.7","1.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H84 N4 O9 -","- C80 H84 N4 O9 -","- C80 H84 N4 O9 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.0648","0.045","","","0.0976","0.1036","","","","","","1.031","","","","has coordinates,has disorder","215648","2020-10-21","18:00:00",""
"7232856","7.451","0.005","8.965","0.005","14.802","0.012","78.46","0.05","84.78","0.05","63.33","0.04","865.7","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O4 -","- C42 H46 N2 O4 -","- C42 H46 N2 O4 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.0724","0.0476","","","0.1124","0.1264","","","","","","1.059","","","","has coordinates,has disorder","215648","2020-10-21","18:00:00",""
"7232857","5.767","0.005","10.249","0.009","16.039","0.014","90","","90","","90","","948","1.4","138","2","138","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IIa","Phenyl pyrazine-2-carboxylate (IIa)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0572","0.0565","","","0.1271","0.1281","","","","","","1.063","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232858","12.657","0.015","5.606","0.007","13.836","0.016","90","","93.939","0.012","90","","979","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IIb","Phenyl pyrazine-2-carboxylate (IIb)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0675","0.0556","","","0.148","0.1583","","","","","","1.072","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232859","7.994","0.015","6.095","0.012","20.94","0.04","90","","94.2","0.02","90","","1018","3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ib","Phenyl pyridine-2-carboxylate (Ib)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.1675","0.1266","","","0.3342","0.3771","","","","","","1.081","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232860","14.759","0.003","6.9112","0.0019","20.003","0.005","90","","90","","90","","2040.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ia","Phenyl pyridine-2-carboxylate (Ia)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.2079","0.0913","","","0.1491","0.1894","","","","","","1.095","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232861","12.9877","0.0007","16.1253","0.0009","7.4653","0.0004","90","","102.663","0.0019","90","","1525.43","0.14","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Isopropyl-12-methyl-6H-isochromeno[4,3-c]quinoline-6,11(12H)-dione","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Shrestha, Rajeev; Khanal, Hari Datta; Lee, Yong Rok","One-pot construction of diverse and functionalized isochromenoquinolinediones by Rh(iii)-catalyzed annulation of unprotected arylamides with 3-diazoquinolinediones and their application for fluorescence sensor","RSC Advances","2019","9","30","17347","","10.1039/C9RA03146D","","","0.71073","MoKα","","0.0987","0.0546","","","0.1166","0.1386","","","","","","1.02","","","","has coordinates","215685","2020-10-21","18:00:00",""
"7232862","9.1056","0.0006","11.706","0.0008","14.8314","0.0008","78.547","0.005","77.009","0.005","73.528","0.006","1461.74","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C72 H56 O24 -","4","2","","Song, Xianheng; Luo, Xiang; Sheng, Jianfei; Li, Jianheng; Zhu, Zefeng; Du, Zhibo; Miao, Hui; Yan, Meng; Li, Mingkang; Zou, Yong","Copper-catalyzed intramolecular cross dehydrogenative coupling approach to coumestans from 2′-hydroxyl-3-arylcoumarins","RSC Advances","2019","9","30","17391","","10.1039/C9RA01909J","","x-ray","1.54184","CuKα","","0.0764","0.0641","","","0.1851","0.2124","","","","","","1.0177","","","","has coordinates","215686","2020-10-21","18:00:00",""
"7232863","13.039","0.005","18.606","0.007","10.943","0.006","90","","121.201","0.006","90","","2270.8","1.7","170.15","","170.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H16 N6 Ni O5 S -","- C24 H16 N6 Ni O5 S -","- C96 H64 N24 Ni4 O20 S4 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.0393","0.0353","","","0.0963","0.0999","","","","","","1.059","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232864","11.7121","0.0004","6.152","0.0002","16.1276","0.0004","90","","91.235","0.003","90","","1161.77","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H18 N6 Ni O5 -","- C26 H18 N6 Ni O5 -","- C52 H36 N12 Ni2 O10 -","2","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0408","0.0361","","","0.0651","0.0687","","","","","","1.028","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232865","19.829","0.003","5.8486","0.001","20.75","0.003","90","","109.388","0.004","90","","2270","0.6","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H16 Mn N6 O5 S -","- C24 H16 Mn N6 O5 S -","- C96 H64 Mn4 N24 O20 S4 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.035","0.032","","","0.0757","0.0775","","","","","","1.049","","","","has coordinates,has disorder","215708","2020-10-21","18:00:00",""
"7232866","9.3365","0.0007","11.9034","0.0011","11.9507","0.0011","66.724","0.009","68.005","0.008","77.863","0.007","1128.23","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Mn N7 O5 -","- C25 H17 Mn N7 O5 -","- C50 H34 Mn2 N14 O10 -","2","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0474","0.0403","","","0.0924","0.0982","","","","","","1.042","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232867","11.035","0.003","9.024","0.002","24.497","0.006","90","","97.215","0.006","90","","2420.1","1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Mn N6 O4 -","- C30 H18 Mn N6 O4 -","- C120 H72 Mn4 N24 O16 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.0822","0.0502","","","0.1","0.1143","","","","","","1.007","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232868","16.6905","0.0007","11.6251","0.0003","26.5469","0.0013","90","","110.743","0.005","90","","4817","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N6 Ni O5 -","- C26 H17 N6 Ni O5 -","- C208 H136 N48 Ni8 O40 -","8","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0792","0.0823","","","","","","1.079","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232869","26.343","0.007","26.343","0.007","37.301","0.011","90","","90","","90","","25885","12","150","","150","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C21 H3 Mn5 N6 O24 -","- C21 H3 Mn5 N6 O24 -","- C336 H48 Mn80 N96 O384 -","16","1","","Zhang, Tao; Ling, Bo-Kai; Hu, Yue-Qiao; Han, Tian; Zheng, Yan-Zhen","An anionic manganese(ii) metal‒organic framework for uranyl adsorption","CrystEngComm","2019","21","26","3901","","10.1039/C9CE00603F","","","0.71073","MoKα","","0.1094","0.0926","","","0.2405","0.2546","","","","","","1.044","","","","has coordinates","223572","2020-10-21","18:00:00",""
"7232870","14.2456","0.0008","11.4003","0.0006","15.7834","0.0009","90","","104.488","0.006","90","","2481.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 F3 O2 Se2 -","- C29 H23 F3 O2 Se2 -","- C116 H92 F12 O8 Se8 -","4","1","","Ma, Xian-Li; Wang, Qian; Feng, Xi-Yuan; Mo, Zu-Yu; Pan, Ying-Ming; Chen, Yan-Yan; Xin, Mao; Xu, Yan-Li","Metal-free visible-light induced cyclization/substitution cascade reaction of alkyne-tethered cyclohexadienones and diselenides: access to 5-hydroxy-3-selenyl-4a,8a-dihydro-2H-chromen-6(5H)-ones","Green Chemistry","2019","21","13","3547","","10.1039/C9GC00570F","","x-ray","0.71073","MoKα","","0.0538","0.0377","","","0.0759","0.0822","","","","","","1.025","","","","has coordinates","224616","2020-10-21","18:00:00",""
"7232871","11.2346","0.0008","13.8269","0.0005","13.8545","0.0008","90","","112.472","0.007","90","","1988.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F3 O3 Se -","- C23 H19 F3 O3 Se -","- C92 H76 F12 O12 Se4 -","4","1","","Ma, Xian-Li; Wang, Qian; Feng, Xi-Yuan; Mo, Zu-Yu; Pan, Ying-Ming; Chen, Yan-Yan; Xin, Mao; Xu, Yan-Li","Metal-free visible-light induced cyclization/substitution cascade reaction of alkyne-tethered cyclohexadienones and diselenides: access to 5-hydroxy-3-selenyl-4a,8a-dihydro-2H-chromen-6(5H)-ones","Green Chemistry","2019","21","13","3547","","10.1039/C9GC00570F","","x-ray","0.71073","MoKα","","0.0596","0.0452","","","0.0993","0.1063","","","","","","1.054","","","","has coordinates","224616","2020-10-21","18:00:00",""
"7232872","4.9159","0.0007","8.8894","0.0018","9.226","0.003","111.71","0.02","103.03","0.02","90.97","0.01","362.68","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C8 H12 F12 O4 -","4","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0736","0.0478","","","0.1267","0.143","","","","","","1.088","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7232873","8.604","0.0007","10.0578","0.0008","9.1461","0.0008","90","","90","","90","","791.48","0.11","229","2","229","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C16 H24 F24 O8 -","8","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0845","0.0331","","","0.0868","0.1058","","","","","","0.875","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7232874","10.0517","0.0008","11.1214","0.0009","15.3258","0.0014","90","","90","","90","","1713.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 1a","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","","Mancinelli, Michele; Franzini, Roberta; Renzetti, Andrea; Marotta, Emanuela; Villani, Claudio; Mazzanti, Andrea","Determination of the absolute configuration of conformationally flexible molecules by simulation of chiro-optical spectra: a case study","RSC Advances","2019","9","32","18165","","10.1039/C9RA03526E","","","0.71073","MoKα","","0.0364","0.0332","","","0.082","0.0839","","","","","","1.036","","","","has coordinates","215809","2020-10-21","18:00:00",""
"7232875","9.902","0.0012","19.022","0.002","9.2904","0.0011","90","","90","","90","","1749.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 2b","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","","Mancinelli, Michele; Franzini, Roberta; Renzetti, Andrea; Marotta, Emanuela; Villani, Claudio; Mazzanti, Andrea","Determination of the absolute configuration of conformationally flexible molecules by simulation of chiro-optical spectra: a case study","RSC Advances","2019","9","32","18165","","10.1039/C9RA03526E","","","0.71073","MoKα","","0.0507","0.0431","","","0.1099","0.1145","","","","","","1.063","","","","has coordinates","215809","2020-10-21","18:00:00",""
"7232876","7.1314","0.0002","10.4809","0.0002","16.7109","0.0004","80.5779","0.0012","86.4941","0.0012","79.2821","0.0012","1210.08","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0927","0.047","","","0.1064","0.1246","","","","","","1.057","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232877","6.7109","0.0004","9.4367","0.0012","16.2988","0.0017","77.132","0.009","84.534","0.007","81.962","0.009","994.17","0.18","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0857","0.0651","","","0.1406","0.1526","","","","","","1.048","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232878","6.7888","0.0003","9.6045","0.0011","16.3703","0.0016","77.764","0.008","84.858","0.006","81.297","0.008","1029.3","0.17","297","","297","","","","","","","","","6","P -1","-P 1","2","","?1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0839","0.0639","","","0.1519","0.1627","","","","","","1.09","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232879","6.7561","0.0003","9.5308","0.0011","16.3385","0.0016","77.508","0.008","84.71","0.006","81.556","0.008","1014.02","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0847","0.0638","","","0.145","0.1569","","","","","","1.074","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232880","6.9301","0.0004","9.942","0.0007","16.514","0.003","79.013","0.011","85.441","0.01","80.339","0.005","1099.8","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0953","0.0591","","","0.1257","0.1487","","","","","","1.086","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232881","7.0133","0.0006","10.155","0.002","16.607","0.003","79.683","0.014","85.829","0.011","79.844","0.014","1144.4","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.1067","0.0657","","","0.1439","0.1662","","","","","","1.055","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232882","6.6623","0.0003","9.3453","0.0011","16.2637","0.0015","76.764","0.008","84.331","0.006","82.375","0.008","974.52","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0893","0.0671","","","0.1714","0.1864","","","","","","1.09","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232883","7.958","0.003","9.582","0.003","11.27","0.004","92.09","0.03","90.88","0.03","114.23","0.03","782.7","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","1","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0535","0.0518","","","0.1327","0.1358","","","","","","1.055","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232884","6.874","0.002","10.174","0.004","9.995","0.003","98.32","0.03","94.13","0.03","90.84","0.03","689.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0599","0.0457","","","0.1029","0.1117","","","","","","1.044","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232885","6.862","0.004","9.864","0.005","9.939","0.005","95.54","0.03","93.89","0.03","92.28","0.03","667.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0516","0.0408","","","0.0984","0.106","","","","","","1.05","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232886","22.6988","0.0009","13.1304","0.0004","21.1832","0.001","90","","110.171","0.005","90","","5926.3","0.4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Cu In P2 Se4 -","- C64 H58 Cu In P2 Se4 -","- C256 H232 Cu4 In4 P8 Se16 -","4","0.5","","Pal, Manoj K.; Dey, Sandip; Neogy, Suman; Kumar, Mukesh","Synthesis and structure of [(Ph3P)2Cu(μ-SeCH2Ph)2In(SeCH2Ph)2] as a single-source precursor for the preparation of CuInSe2 nano-materials","RSC Advances","2019","9","32","18302","","10.1039/C9RA03429C","","x-ray","1.54184","CuKα","","0.1175","0.0684","","","0.1727","0.2523","","","","","","1.121","","","","has coordinates","215863","2020-10-21","18:00:00",""
"7232887","29.44","0.04","8.383","0.012","11.176","0.017","90","","101.55","0.02","90","","2702","7","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.101","0.0547","","","0.114","0.1397","","","","","","1.041","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232888","29.39","0.02","8.39","0.006","11.172","0.009","90","","100.887","0.013","90","","2705","3","175","","175","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.1105","0.0619","","","0.1263","0.1549","","","","","","0.989","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232889","29.418","0.015","8.421","0.004","11.195","0.006","90","","100.912","0.007","90","","2723","2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.1076","0.0608","","","0.1353","0.1667","","","","","","0.975","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232890","29.348","0.003","8.4654","0.0003","11.2565","0.0004","90","","100.911","0.006","90","","2746","0.3","270","","270","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","1","synchrotron","","0.0615","0.0546","","","0.1419","0.1461","","","","","","0.974","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232891","29.35","0.02","8.45","0.006","11.225","0.009","90","","101.005","0.011","90","","2733","3","235","","235","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.1204","0.0705","","","0.1567","0.188","","","","","","1.034","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232892","4.7678","0.0005","11.4567","0.0014","15.8287","0.0017","96.008","0.004","95.799","0.004","91.296","0.004","854.98","0.17","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Mn N4 O9 -","- C14 H15 Mn N4 O9 -","- C28 H30 Mn2 N8 O18 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0539","0.0388","","","0.0845","0.0899","","","","","","1.062","","","","has coordinates","223502","2020-10-21","18:00:00",""
"7232893","4.7674","0.0005","15.2901","0.0014","15.8525","0.0015","82.467","0.004","89.755","0.004","87.662","0.004","1144.63","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Mn N5 O9.5 -","- C17 H21 Mn N5 O9.5 -","- C34 H42 Mn2 N10 O19 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0507","0.04","","","0.1092","0.1139","","","","","","1.09","","","","has coordinates,has disorder","223502","2020-10-21","18:00:00",""
"7232894","5.6594","0.0005","7.2685","0.0007","17.267","0.002","90","","94.508","0.009","90","","708.09","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","0.71073","MoKα","","0.0614","0.0518","","","0.1148","0.1213","","","","","","1.06","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232895","5.0318","0.0003","8.6573","0.0005","43.325","0.002","90","","90","","90","","1887.32","0.18","123","30","123","30","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","1.54184","CuKα","","0.0788","0.0732","","","0.179","0.1869","","","","","","1.051","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232896","13.7","0.004","5.4468","0.0008","7.8567","0.0011","90","","98.401","0.018","90","","580","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","0.56086","AgKα","","0.0616","0.0362","","","0.073","0.0898","","","","","","1.133","","","","has coordinates","223667","2020-10-21","18:00:00",""
"7232897","13.6132","0.0007","14.5917","0.0008","6.2617","0.0003","90","","95.935","0.002","90","","1237.16","0.11","224","","224","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","1.54178","CuKα","","0.0544","0.0511","","","0.1523","0.1557","","","","","","1.103","","","","has coordinates","223667","2020-10-21","18:00:00",""
"7232898","5.3219","0.0003","29.6921","0.0019","5.6591","0.0004","90","","99.122","0.004","90","","882.93","0.1","298","2","298","2","","","","","","","synthesis","7","I 1 m 1","I -2y","8","AgLNa*0.5H2O","","","- C20 H28 Ag4 N8 Na4 O18 S4 -","- C5 H6 Ag N2 Na O3.907 S -","- C20 H24 Ag4 N8 Na4 O15.628 S4 -","4","1","","Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo","A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization","CrystEngComm","2019","21","31","4586","","10.1039/C9CE00761J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","223674","2020-10-21","18:00:00",""
"7232899","12.2512","0.001","18.0542","0.0015","20.8644","0.0015","90","","96.61","0.007","90","","4584.2","0.6","102","2","102","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Cu F3 N4 O4 P2 S -","- C52 H42 Cu F3 N4 O4 P2 S -","- C208 H168 Cu4 F12 N16 O16 P8 S4 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0945","0.083","","","0.1711","0.1774","","","","","","1.051","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232900","10.139","0.0011","10.9355","0.0012","19.6442","0.0018","88.137","0.002","75.352","0.001","83.427","0.002","2093.4","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H38 Cu F3 N4 O4 P2 S -","- C43 H38 Cu F3 N4 O4 P2 S -","- C86 H76 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0855","0.05","","","0.1113","0.1218","","","","","","1.038","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232901","13.5532","0.0012","13.5532","0.0012","46.356","0.003","90","","90","","90","","8515.1","1.2","298","2","298","2","","","","","","","","8","P 41","P 4w","76","","","","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C352 H256 Cu8 F24 N32 O24 P16 S8 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1969","0.0904","","","0.1551","0.1731","","","","","","1.081","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232902","13.0082","0.0012","23.906","0.002","26.452","0.003","90","","101.248","0.003","90","","8067.9","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C320 H240 Cu8 F24 N32 O24 P16 S8 -","4","0.5","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1116","0.0569","","","0.1328","0.1477","","","","","","1.097","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232903","10.7793","0.0005","14.5171","0.0005","17.3228","0.0006","74.306","0.003","79.899","0.003","70.639","0.004","2451.12","0.18","103.7","","103.7","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cu F3 N4 O4 P2 S -","- C56 H44 Cu F3 N4 O4 P2 S -","- C112 H88 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0392","0.0328","","","0.072","0.0752","","","","","","1.037","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232904","35.509","0.007","14.305","0.003","17.104","0.003","90","","100.7","0.03","90","","8537","3","104","2","104","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cu F3 N4 O4 P2 S -","- C47 H40 Cu F3 N4 O4 P2 S -","- C376 H320 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1491","0.1324","","","0.3116","0.3231","","","","","","1.09","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232905","10.2578","0.0003","12.8635","0.0004","19.4889","0.0005","73.352","0.002","83.084","0.002","87.362","0.003","2445.68","0.12","109.8","","109.8","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cu F3 N4 O4 P2 S -","- C54 H40 Cu F3 N4 O4 P2 S -","- C108 H80 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0735","0.0654","","","0.1453","0.1483","","","","","","1.241","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232906","10.8914","0.0004","12.2427","0.0003","19.074","0.0007","94.343","0.002","92.474","0.003","106.148","0.003","2430.49","0.15","102.3","","102.3","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H42 Cu F3 N4 O5 P2 S -","- C56 H42 Cu F3 N4 O5 P2 S -","- C112 H84 Cu2 F6 N8 O10 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0515","0.0434","","","0.1069","0.1119","","","","","","1.033","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232907","27.738","0.002","16.393","0.0014","27.278","0.003","90","","110.478","0.004","90","","11619.7","1.8","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cu F3 N4 O4 P2 S -","- C58 H42 Cu F3 N4 O4 P2 S -","- C464 H336 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1322","0.0811","","","0.228","0.2468","","","","","","1.095","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232908","10.698","0.0007","12.5061","0.0005","19.6636","0.001","83.046","0.004","77.092","0.005","70.657","0.005","2416.4","0.2","104.2","","104.2","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H36 Cu F3 N4 O6 P2 S -","- C53 H40 Cu F3 N4 O6 P2 S -","- C106 H80 Cu2 F6 N8 O12 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0705","0.0594","","","0.1588","0.1681","","","","","","1.03","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232909","20.4193","0.001","9.8047","0.0005","26.0036","0.0012","90","","105.963","0.002","90","","5005.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H55 Cl N9 -","- C62 H55 Cl N9 -","- C248 H220 Cl4 N36 -","4","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54178","CuKα","","0.0499","0.0417","","","0.1003","0.1084","","","","","","1.023","","","","has coordinates","223573","2020-10-21","18:00:00",""
"7232910","15.372","0.003","21.287","0.004","21.861","0.004","96.32","0.03","103.33","0.03","95.65","0.03","6861","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H166 Cl4 N22 O12 -","- C146 H159.654 Cl4 N22 O12 -","- C292 H319.308 Cl8 N44 O24 -","2","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54184","CuKα","","0.098","0.0836","","","0.211","0.2249","","","","","","1.008","","","","has coordinates,has disorder","223573","2020-10-21","18:00:00",""
"7232911","16.8912","0.0005","11.897","0.0005","19.6308","0.0007","90","","104.361","0.002","90","","3821.6","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)thianthrene","","- C26 H16 S2 -","- C26 H16 S2 -","- C208 H128 S16 -","8","1","","Shen, Yue; Liu, Haichao; Cao, Jungang; Zhang, Shitong; Li, Weijun; Yang, Bing","Unusual Temperature-Sensitive Excimer Fluorescence from Discrete π-π Dimer Stacking of Anthracene in a Crystal","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02656H","","","0.71073","MoKα","","0.043","0.0384","","","0.0889","0.0912","","","","","","1.106","","","","has coordinates","216047","2020-10-21","18:00:00",""
"7232912","12.1916","0.0006","5.5082","0.0003","12.39","0.0006","90","","102.989","0.007","90","","810.75","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C36 H32 Cl2 N6 O2 -","2","1","","Liu, Shiyao; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Copper-catalysed enantioselective intramolecular etherification of propargylic esters: synthetic approach to chiral isochromans","RSC Advances","2019","9","33","18918","","10.1039/C9RA03880A","","","0.71075","MoKα","","0.0542","0.0485","","","0.0941","0.0965","","","","","","1","","","","has coordinates","216048","2020-10-21","18:00:00",""
"7232913","13.0085","0.0017","10.9842","0.0014","12.9585","0.0017","90","","100.979","0.004","90","","1817.7","0.4","287.82","","287.82","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","","Niu, Zuoji; Ma, Chaoqun; Ye, Wenpeng; Wang, He; Jia, Wenyong; Shi, Huixian; Shi, Huifang; An, Zhongfu; Huang, Wei","Colour-tunable ultralong organic phosphorescence upon temperature stimulus","RSC Advances","2019","9","33","19075","","10.1039/C9RA03537K","","","0.71073","MoKα","","0.1233","0.0671","","","0.1384","0.1618","","","","","","1.044","","","","has coordinates","216049","2020-10-21","18:00:00",""
"7232914","12.9566","0.0014","10.8698","0.0012","12.9109","0.0014","90","","101.36","0.003","90","","1782.7","0.3","99.99","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","","Niu, Zuoji; Ma, Chaoqun; Ye, Wenpeng; Wang, He; Jia, Wenyong; Shi, Huixian; Shi, Huifang; An, Zhongfu; Huang, Wei","Colour-tunable ultralong organic phosphorescence upon temperature stimulus","RSC Advances","2019","9","33","19075","","10.1039/C9RA03537K","","","0.71073","MoKα","","0.0836","0.0568","","","0.1356","0.1502","","","","","","1.04","","","","has coordinates","216049","2020-10-21","18:00:00",""
"7232915","18.9128","0.0006","18.9128","0.0006","15.2392","0.0006","90","","90","","90","","5451","0.3","117","2","117","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H40 Mo0.5 N8 Ni O8 -","- C14 H24 Mo0.5 N8 Ni O8 -","- C112 H192 Mo4 N64 Ni8 O64 -","8","0.5","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0423","0.0346","","","0.0871","0.0908","","","","","","1.054","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7232916","26.2434","0.0011","15.4516","0.0007","10.1165","0.0004","90","","95.018","0.002","90","","4086.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C46 H120 Li2 Mo2 N28 Ni3 O24 -","- C46 H72 Li2 Mo2 N28 Ni3 O24 -","- C92 H144 Li4 Mo4 N56 Ni6 O48 -","2","0.25","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0855","0.0768","","","0.183","0.1885","","","","","","1.107","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7232917","14.3162","0.0006","14.8325","0.0006","23.1021","0.001","90","","93.539","0.002","90","","4896.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H70 Mo N20 Ni3 O5 -","- C35 H60 Mo N20 Ni3 O5 -","- C140 H240 Mo4 N80 Ni12 O20 -","4","1","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0493","0.0436","","","0.1068","0.111","","","","","","1.013","","","","has coordinates,has disorder","216088","2020-10-21","18:00:00",""
"7232918","11.1568","0.0015","17.163","0.002","9.1319","0.0015","90","","90","","90","","1748.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H24 Cl2 N2 O3 -","- C16 H24 Cl2 N2 O3 -","- C64 H96 Cl8 N8 O12 -","4","1","","Wu, Han-Qing; Yang, Kai; Chen, Xiao-Yun; Arulkumar, Mani; Wang, Neng; Chen, Si-Hong; Wang, Zhao-Yang","A 3,4-dihalo-2(5H)-furanone initiated ring-opening reaction of DABCO in the absence of a metal catalyst and additive and its application in a one-pot two-step reaction","Green Chemistry","2019","21","14","3782","","10.1039/C9GC01740B","","x-ray","0.71073","MoKα","","0.1346","0.0613","","","0.0862","0.104","","","","","","0.892","","","","has coordinates","224620","2020-10-21","18:00:00",""
"7232919","7.2364","0.0008","13.684","0.002","15.767","0.002","71.515","0.013","83.596","0.01","81.899","0.011","1462.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N6 O6 S -","- C30 H27 Cl N6 O6 S -","- C60 H54 Cl2 N12 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1017","0.055","","","0.1097","0.1293","","","","","","1.025","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232920","7.3032","0.0005","14.0521","0.0008","15.9432","0.0011","69.237","0.002","81.657","0.002","77.712","0.002","1490.51","0.17","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl N5 O7 S -","- C31 H30 Cl N5 O7 S -","- C62 H60 Cl2 N10 O14 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0781","0.0506","","","0.1368","0.1504","","","","","","0.996","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232921","7.1077","0.0007","14.4856","0.0013","16.6126","0.0015","105.468","0.003","98.006","0.003","103.645","0.003","1564.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","CNX-PXC-EA","","","- C32 H32 Cl N5 O8 S -","- C32 H32 Cl N5 O8 S -","- C64 H64 Cl2 N10 O16 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0789","0.0547","","","0.124","0.1339","","","","","","1.051","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232922","7.2799","0.0005","13.8946","0.0011","16.4922","0.0013","68.131","0.007","82.312","0.006","81.865","0.006","1526.6","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl4 N5 O6 S -","- C29 H25 Cl4 N5 O6 S -","- C58 H50 Cl8 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1175","0.0579","","","0.1186","0.146","","","","","","0.967","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232923","7.2499","0.0002","13.7111","0.0006","15.8281","0.0007","71.255","0.004","85.172","0.003","83.669","0.003","1478.85","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl3 N5 O6 S -","- C29 H26 Cl3 N5 O6 S -","- C58 H52 Cl6 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0625","0.0481","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232924","6.6108","0.0005","9.5147","0.0007","17.1651","0.001","96.283","0.005","95.365","0.005","103.343","0.006","1036.32","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O7 -","- C25 H18 N2 O7 -","- C50 H36 N4 O14 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0995","0.0569","","","0.1309","0.1535","","","","","","0.978","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232925","10.1503","0.0003","11.2758","0.0003","35.8393","0.0011","90","","93.409","0.003","90","","4094.6","0.2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H37 N7 O13 -","- C49 H37 N7 O13 -","- C196 H148 N28 O52 -","4","0.5","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0888","0.0567","","","0.1308","0.1532","","","","","","1.047","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232926","8.6941","0.0002","10.2148","0.0003","17.2379","0.0004","99.498","0.002","90.396","0.002","97.114","0.002","1497.68","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Br2 N2 O6 -","- C39 H22 Br2 N2 O6 -","- C78 H44 Br4 N4 O12 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0726","0.064","","","0.1625","0.1691","","","","","","1.12","","","","has coordinates,has disorder","223469","2020-10-21","18:00:00",""
"7232927","4.6228","0.0003","9.2043","0.0009","17.413","0.0013","90","","92.3164","0.0018","90","","740.31","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Histamine monocation","","- C10 H9 Cl N4 Na -","- C10 H20 Cl2 N6 -","- C20 H40 Cl4 N12 -","2","0.5","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.0579","","","","0.0751","","","","","","1.194","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232928","5.698","0.003","7.632","0.004","7.25","0.004","90","","104.92","0.007","90","","304.7","0.3","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","Histamine Free base","","- C5 H13 N3 -","- C5 H9 N3 -","- C10 H18 N6 -","2","1","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.0412","","","","0.0591","","","","","","1.178","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232929","4.449","0.006","12.694","0.016","7.577","0.009","90","","91.45","0.03","90","","427.8","0.9","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","Histamine dication form","","- C5 H13 Cl2 N3 O2 -","- C5 H11 Cl2 N3 -","- C10 H22 Cl4 N6 -","2","1","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.085","","","","0.1397","","","","","","1.142","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232930","9.6733","0.0005","10.7702","0.0005","12.5821","0.0006","67.115","0.001","68.089","0.001","86.267","0.001","1115.51","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O9 Zn -","- C26 H16 N2 O9 Zn -","- C52 H32 N4 O18 Zn2 -","2","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0282","0.0263","","","0.0697","0.0711","","","","","","1.033","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232931","26.409","0.004","9.7523","0.0012","20.678","0.003","90","","105.007","0.005","90","","5144","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd N2 O10 -","- C28 H17 Cd N2 O10 -","- C224 H136 Cd8 N16 O80 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0418","0.0287","","","0.0586","0.0629","","","","","","1.062","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232932","30.4083","0.0018","11.8333","0.0007","15.7632","0.0009","90","","120.286","0.002","90","","4897.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C208 H128 Cd8 N16 O72 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0303","0.0252","","","0.063","0.066","","","","","","1.092","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232933","6.9632","","9.0671","","12.2695","","90","","90","","90","","774.648","","293","","293","","","","","","","","","4","C m c e","-C 2ac 2","64","vyacheslavite","","","- H O5 P U -","- H O5 P U -","- H8 O40 P8 U8 -","8","0.5","","Steciuk, Gwladys; Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub","Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations","RSC Advances","2019","9","34","19657","","10.1039/C9RA03694F","","electron","0.0335","electron","","0.2078","0.0953","","","0.0883","0.0945","","","","0","0","2.01","","","","has coordinates","216509","2020-10-21","18:00:00",""
"7232934","14.47","0.002","14.47","0.002","28.017","0.006","90","","90","","90","","5866.2","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C33 H16 Mn2 N17 O6 W -","- C33 H16 Mn2 N17 O6 W -","- C132 H64 Mn8 N68 O24 W4 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0551","0.0517","","","0.1438","0.1459","","","","","","1.245","","","","has coordinates","223472","2020-10-21","18:00:00",""
"7232935","14.45","0.002","14.45","0.002","28.044","0.006","90","","90","","90","","5855.7","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C45 H44 Mn2 Mo N21 O10 -","- C45 H44 Mn2 Mo N21 O10 -","- C180 H176 Mn8 Mo4 N84 O40 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0681","0.0644","","","0.184","0.1879","","","","","","1.098","","","","has coordinates,has disorder","223472","2020-10-21","18:00:00",""
"7232936","8.7972","0.0004","9.6008","0.0005","24.5152","0.0017","90","","99.503","0.005","90","","2042.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EPTD","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C96 H96 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0664","0.0466","","","0.1024","0.1156","","","","","","1.031","","","","has coordinates,has disorder","223474","2020-10-21","18:00:00",""
"7232937","8.611","0.0007","7.4213","0.0005","27.8297","0.0019","90","","91.341","0.006","90","","1778","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0567","0.0416","","","0.0831","0.0931","","","","","","1.058","","","","has coordinates","223474","2020-10-21","18:00:00",""
"7232938","11.2305","0.0006","11.8596","0.0006","14.125","0.0007","102.649","0.004","93.485","0.004","99.072","0.005","1803.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","EPTD-Y","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","1","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0701","0.0502","","","0.0984","0.1093","","","","","","1.039","","","","has coordinates,has disorder","223474","2020-10-21","18:00:00",""
"7232939","10.4791","0.0005","13.3723","0.0007","25.4654","0.0013","90","","91.115","0.002","90","","3567.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: toluene (1:1)","","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0543","0.0379","","","0.0905","0.1003","","","","","","1.031","","","","has coordinates","223464","2020-10-21","18:00:00",""
"7232940","10.3099","0.0003","13.3066","0.0004","25.6537","0.0008","90","","91.686","0.001","90","","3517.9","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: aniline (1:1)","","","- C46 H37 N3 S2 -","- C46 H37 N3 S2 -","- C184 H148 N12 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0634","0.0444","","","0.106","0.1166","","","","","","1.024","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232941","8.7675","0.0007","8.7903","0.0007","13.7121","0.0011","72.461","0.004","76.622","0.004","67.418","0.004","922.33","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N,N-dimethylaniline (1:1)","","","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0852","0.0513","","","0.1106","0.1279","","","","","","1.044","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232942","9.1545","0.0005","14.6714","0.0007","15.1254","0.0008","109.272","0.002","92.888","0.002","97.644","0.002","1890.93","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: cumene (1:1)","","","- C49 H44 N2 O2 -","- C49 H44 N2 O2 -","- C98 H88 N4 O4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0868","0.0667","","","0.1855","0.2038","","","","","","1.042","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232943","10.5138","0.0007","13.5904","0.0009","13.7298","0.0009","84.174","0.003","86.227","0.003","70.04","0.003","1833.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: N-methylaniline (1:1)","","","- C47 H41 N3 S2 -","- C47 H41 N3 S2 -","- C94 H82 N6 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0476","0.0364","","","0.0897","0.0972","","","","","","1.021","","","","has coordinates","223464","2020-10-21","18:00:00",""
"7232944","8.9265","0.0004","9.1183","0.0004","12.5759","0.0005","92.594","0.002","107.264","0.002","111.066","0.002","898.81","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N-methylaniline: water","","","- C47 H41 N3 O2.41 -","- C47 H41 N3 O2.406 -","- C47 H41 N3 O2.406 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0455","0.0404","","","0.1084","0.114","","","","","","1.033","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232945","5.1874","0.0004","34.715","0.003","18.1886","0.0015","90","","90.275","0.002","90","","3275.4","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N8 Ni2 O13 -","- C24 H38 N8 Ni2 O13 -","- C96 H152 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1168","0.0806","","","0.1946","0.211","","","","","","1.142","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232946","20.212","0.011","22.656","0.011","16.048","0.008","90","","121.342","0.01","90","","6276","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 N8 Ni6 O25 -","- C56 H64 N8 Ni6 O25 -","- C224 H256 N32 Ni24 O100 -","4","0.5","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1349","0.0617","","","0.1596","0.2121","","","","","","1.008","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232947","13.838","0.004","29.26","0.009","14.867","0.004","90","","116.548","0.004","90","","5385","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N8 Ni4 O17 -","- C43 H52 N8 Ni4 O17 -","- C172 H208 N32 Ni16 O68 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1299","0.0924","","","0.2634","0.2922","","","","","","1.087","","","","has coordinates,has disorder","223675","2020-10-21","18:00:00",""
"7232948","22.233","0.004","7.3217","0.0014","23.045","0.004","90","","101.296","0.004","90","","3678.7","1.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N8 Ni2 O13 -","- C32 H44 N8 Ni2 O13 -","- C128 H176 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.0448","0.038","","","0.0947","0.099","","","","","","1.115","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232949","11.4902","0.0002","9.6989","0.0002","15.4453","0.0003","90","","91.189","0.001","90","","1720.89","0.06","170","2","169.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Kong, Xianqiang; Liu, Yulong; Lin, Long; Chen, Qianjin; Xu, Bo","Electrochemical synthesis of enaminones via a decarboxylative coupling reaction","Green Chemistry","2019","21","14","3796","","10.1039/C9GC01098J","","","1.34139","GaKα","","0.0463","0.0392","","","0.0916","0.0964","","","","","","1.059","","","","has coordinates","224619","2020-10-21","18:00:00",""
"7232950","12.0153","0.001","12.5845","0.001","15.2028","0.0009","77.758","0.006","85.3","0.006","72.021","0.007","2136.5","0.3","293.75","0.1","293.75","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O4 S2 -","- C22 H21 N3 O4 S2 -","- C88 H84 N12 O16 S8 -","4","2","","Zhang, Yu-Zhen; Mo, Zu-Yu; Wang, Heng-Shan; Wen, Xiao-An; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled chemoselective sulfonylation and hydrazination of indoles","Green Chemistry","2019","21","14","3807","","10.1039/C9GC01201J","","x-ray","1.54184","CuKα","","0.087","0.074","","","0.1433","0.1891","","","","","","1.051","","","","has coordinates","224621","2020-10-21","18:00:00",""
"7232951","8.4406","0.0006","12.7982","0.0011","14.3406","0.0011","90","","105.55","0.007","90","","1492.4","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br N2 O5 S -","- C12 H13 Br N2 O5 S -","- C48 H52 Br4 N8 O20 S4 -","4","1","","Yang, Kai; Gao, Juan-Juan; Luo, Shi-He; Wu, Han-Qing; Pang, Chu-Ming; Wang, Bo-Wen; Chen, Xiao-Yun; Wang, Zhao-Yang","Quick construction of a C‒N bond from arylsulfonyl hydrazides and Csp2‒X compounds promoted by DMAP at room temperature","RSC Advances","2019","9","35","19917","","10.1039/C9RA03403J","","x-ray","0.71073","MoKα","","0.0969","0.0528","","","0.094","0.11","","","","","","1.018","","","","has coordinates","216594","2020-10-21","18:00:00",""
"7232952","8.8741","0.0011","7.988","0.0012","21.034","0.003","90","","96.975","0.012","90","","1480","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br2 N2 O3 -","- C12 H14 Br2 N2 O3 -","- C48 H56 Br8 N8 O12 -","4","1","","Yang, Kai; Gao, Juan-Juan; Luo, Shi-He; Wu, Han-Qing; Pang, Chu-Ming; Wang, Bo-Wen; Chen, Xiao-Yun; Wang, Zhao-Yang","Quick construction of a C‒N bond from arylsulfonyl hydrazides and Csp2‒X compounds promoted by DMAP at room temperature","RSC Advances","2019","9","35","19917","","10.1039/C9RA03403J","","x-ray","0.71073","MoKα","","0.1347","0.0611","","","0.1076","0.1367","","","","","","0.998","","","","has coordinates","216594","2020-10-21","18:00:00",""
"7232953","8.5321","0.001","9.2554","0.001","9.75","0.0008","104.633","0.008","91.429","0.008","102.163","0.009","725.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C26 H30 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0888","0.0647","","","0.1651","0.1867","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232954","9.666","0.0007","10.5577","0.0008","13.3682","0.0011","90","","97.575","0.007","90","","1352.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0875","0.0542","","","0.1249","0.1468","","","","","","1.046","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232955","7.2862","0.0008","9.7081","0.0007","19.2903","0.0016","90","","90","","90","","1364.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0597","0.044","","","0.0888","0.0975","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232956","8.534","0.002","9.25","0.002","9.752","0.002","104.72","0.02","90.99","0.02","102.03","0.02","726.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 D2 F4 N O4 -","- C13 H13 D2 F4 N O4 -","- C26 H26 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1399","0.0886","","","0.2482","0.3181","","","","","","1.025","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232957","8.4644","0.0005","9.7485","0.0015","12.6644","0.0013","69.875","0.013","74.399","0.007","79.718","0.009","940.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F4 N O4 -","- C17 H23 F4 N O4 -","- C34 H46 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0994","0.0571","","","0.1247","0.1586","","","","","","1.038","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232958","9.6384","0.0015","7.9971","0.0014","15.099","0.003","90","","99.642","0.017","90","","1147.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F4 N O4 -","- C10 H9 F4 N O4 -","- C40 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0825","0.0548","","","0.1335","0.1602","","","","","","1.054","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232959","7.2513","0.0006","9.6741","0.0008","18.5924","0.0014","90","","90","","90","","1304.25","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 D2 F4 N O4 -","- C13 H5 D2 F4 N O4 -","- C52 H20 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0723","0.0439","","","0.0928","0.1035","","","","","","0.953","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232960","9.6564","0.0006","10.5717","0.0008","13.3865","0.0009","90","","97.686","0.006","90","","1354.28","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0773","0.0524","","","0.122","0.1404","","","","","","1.043","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232961","9.6821","0.0009","8.0228","0.0009","15.0539","0.0014","90","","99.715","0.009","90","","1152.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 D3 F4 N O4 -","- C10 H6 D3 F4 N O4 -","- C40 H24 D12 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0717","0.0534","","","0.1357","0.1509","","","","","","1.03","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232962","7.2625","0.0008","9.694","0.001","18.657","0.002","90","","90","","90","","1313.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N O4 -","- C13 H7 F4 N O4 -","- C52 H28 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0793","0.0538","","","0.118","0.1429","","","","","","1.058","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232963","9.7554","0.0005","14.2346","0.0008","9.717","0.0005","90","","99.127","0.004","90","","1332.26","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.073","0.0493","","","0.1135","0.1313","","","","","","0.994","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232964","8.4573","0.0012","9.7338","0.0014","12.66","0.002","69.848","0.014","74.392","0.013","79.621","0.012","937.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 D2 F4 N O4 -","- C17 H21 D2 F4 N O4 -","- C34 H42 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.087","0.0532","","","0.1177","0.1387","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232965","9.5943","0.0008","20.769","0.002","6.8719","0.0006","90","","94.423","0.008","90","","1365.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O4 -","- C12 H13 F4 N O4 -","- C48 H52 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0958","0.0632","","","0.1394","0.1575","","","","","","1.052","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232966","7.2846","0.0005","9.708","0.0006","19.345","0.001","90","","90","","90","","1368.06","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0622","0.0428","","","0.087","0.0981","","","","","","1.037","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232967","9.6878","0.0005","7.2046","0.0005","17.3573","0.0009","90","","90","","90","","1211.48","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0564","0.0429","","","0.0901","0.0999","","","","","","1.059","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232968","9.6026","0.0009","17.6586","0.0015","9.0164","0.001","90","","110.17","0.011","90","","1435.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O5 -","- C12 H13 F4 N O5 -","- C48 H52 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0885","0.0532","","","0.1124","0.1312","","","","","","1.036","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232969","9.5797","0.0008","23.308","0.002","6.8151","0.0006","90","","94.216","0.008","90","","1517.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 D4 F4 N O4 -","- C13 H11 D4 F4 N O4 -","- C52 H44 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0945","0.0614","","","0.1337","0.1522","","","","","","1.035","","","","has coordinates,has disorder","223471","2020-10-21","18:00:00",""
"7232970","9.5893","0.0009","23.36","0.003","6.8268","0.0007","90","","94.249","0.008","90","","1525","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C52 H60 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1014","0.0606","","","0.1311","0.1559","","","","","","1.03","","","","has coordinates,has disorder","223471","2020-10-21","18:00:00",""
"7232971","9.6156","0.0018","17.699","0.003","9.019","0.002","90","","110.26","0.02","90","","1439.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O5 -","- C12 H9 D4 F4 N O5 -","- C48 H36 D16 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.105","0.0544","","","0.1036","0.1299","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232972","7.1303","0.0006","17.4758","0.0013","9.7449","0.0007","90","","102.38","0.008","90","","1186.05","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0776","0.0545","","","0.1188","0.1366","","","","","","1.062","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232973","9.7549","0.0006","14.2234","0.0008","9.7356","0.0005","90","","99.178","0.005","90","","1333.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0634","0.0456","","","0.1073","0.1169","","","","","","1.041","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232974","9.727","0.0005","7.2158","0.0005","17.3952","0.0011","90","","90","","90","","1220.94","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0482","0.0379","","","0.0808","0.0883","","","","","","1.07","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232975","9.5827","0.0015","20.741","0.003","6.8689","0.001","90","","94.476","0.013","90","","1361.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O4 -","- C12 H9 D4 F4 N O4 -","- C48 H36 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1276","0.0747","","","0.1737","0.2123","","","","","","1.06","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232976","7.1345","0.0005","17.4678","0.0013","9.7338","0.0007","90","","102.264","0.007","90","","1185.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0788","0.0523","","","0.1183","0.1392","","","","","","1.054","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232977","10.66526","0.00025","20.39976","0.00048","6.61154","0.00017","90","","90","","90","","1438.46","0.06","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Alpha-dichlorido-di(3-cyanopyridine)zinc","Alpha-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.168","1.601","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232978","3.64403","0.00018","13.81346","0.00076","13.1192","0.0011","90","","98.5316","0.0067","90","","653.07","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","","- C12 H8 Cl2 Fe N4 -","- C12 H8 Cl2 Fe N4 -","- C24 H16 Cl4 Fe2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6997","1.525","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232979","3.702978","0.000044","15.43091","0.00037","11.57802","0.00031","90","","91.4375","0.0016","90","","661.36","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)manganat(II)","catena-bis-chloro-di(3-cyanopyridine)manganat(II)","","- C12 H8 Cl2 Mn N4 -","- C12 H8 Cl2 Mn N4 -","- C24 H16 Cl4 Mn2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01167","1.156","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232980","16.08629","0.00049","3.58737","0.000097","14.19096","0.00054","90","","90","","90","","818.92","0.05","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","","- C6 H4 Cl2 Co N2 -","- C6 H4 Cl2 Co N2 -","- C24 H16 Cl8 Co4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6026","1.21","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232981","3.61682","0.00017","27.5043","0.0016","13.2081","0.0012","90","","97.492","0.015","90","","1302.7","0.16","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","","- C12 H8 Cl2 Co N4 -","- C12 H8 Cl2 Co N4 -","- C48 H32 Cl8 Co4 N16 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.2752","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232982","3.75604","0.0001","13.46533","0.00029","13.04425","0.00051","90","","97.3466","0.0032","90","","654.31","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-di(3-cyanopyridine)cuprat(II)","catena-dichloro-di(3-cyanopyridine)cuprat(II)","","- C12 H8 Cl2 Cu N4 -","- C12 H8 Cl2 Cu N4 -","- C24 H16 Cl4 Cu2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.9634","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232983","3.775299","0.000081","13.9311","0.00036","15.68492","0.0003","90","","96.1139","0.0029","90","","820.24","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-(3-cyanopyridine)cuprat(II)","catena-dichloro-(3-cyanopyridine)cuprat(II)","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.0574","1.466","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232984","16.53381","0.00094","3.69328","0.00012","14.45964","0.00092","90","","90","","90","","882.96","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)manganat(II)","catena-bis-chloro-(3-cyanopyridine)manganat(II)","","- C6 H4 Cl2 Mn N2 -","- C6 H4 Cl2 Mn N2 -","- C24 H16 Cl8 Mn4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.3538","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232985","3.5837","0.000033","27.28886","0.00029","13.18148","0.00026","90","","97.7149","0.0035","90","","1277.42","0.03","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C48 H32 Cl8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.9061","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232986","11.66192","0.00015","15.07309","0.00018","8.057182","0.000098","90","","91.0111","0.00086","90","","1416.08","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Beta-dichlorido-di(3-cyanopyridine)zinc","Beta-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00868","1.323","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232987","15.90267","0.00041","3.53278","0.000061","14.08069","0.00037","90","","90","","90","","791.06","0.03","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)nickelat(II)","catena-bis-chloro-(3-cyanopyridine)nickelat(II)","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C24 H16 Cl8 N8 Ni4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.8494","1.772","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232988","12.3578","0.0005","19.6171","0.0008","24.1612","0.0009","90","","93.8074","0.0018","90","","5844.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.71 H57.43 Br2 Cl3.43 N4 O -","- C62.713 H57.426 Br2 Cl3.426 N4 O -","- C250.852 H229.704 Br8 Cl13.704 N16 O4 -","4","1","","Schreck, Maximilian Hubert; Breitschwerdt, Lena; Marciniak, Henning; Holzapfel, Marco; Schmidt, David; Wuerthner, Frank; Lambert, Christoph","fs-ps Exciton dynamics in a stretched tetraphenylsquaraine polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02900A","","","1.54178","CuKα","","0.0413","0.0395","","","0.1133","0.1147","","","","","","1.144","","","","has coordinates,has disorder","216638","2020-10-21","18:00:00",""
"7232989","9.6628","0.0003","17.8319","0.0005","8.5916","0.0003","90","","105.541","0.003","90","","1426.26","0.08","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 I2 N2 -","- C28 H38 I2 N2 -","- C56 H76 I4 N4 -","2","0.5","","Dong, Ying; Jv, Jing-Jing; Li, Yue; Li, Wen-Han; Chen, Yun-Qi; Sun, Qian; Ma, Jian-Ping; Dong, Yu-Bin","Nickel-metalated porous organic polymer for Suzuki‒Miyaura cross-coupling reaction","RSC Advances","2019","9","35","20266","","10.1039/C9RA03679B","","x-ray","1.54184","CuKα","","0.0926","0.0902","","","0.2424","0.2483","","","","","","1.098","","","","has coordinates","216639","2020-10-21","18:00:00",""
"7232990","13.5686","0.0004","13.2178","0.0005","13.779","0.0005","90","","105.947","0.004","90","","2376.12","0.15","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","BhHASOD","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C116 H100 B4 F8 N16 -","4","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0492","0.0405","","","0.104","0.1102","","","","","","1.04","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232991","14.6653","0.0004","9.0291","0.0003","12.2807","0.0003","90","","93.859","0.002","90","","1622.46","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B Cu2 F2 I2 N6 -","- C27 H23 B Cu2 F2 I2 N6 -","- C54 H46 B2 Cu4 F4 I4 N12 -","2","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0731","0.0612","","","0.1812","0.2068","","","","","","1.147","","","","has coordinates,has disorder","216666","2020-10-21","18:00:00",""
"7232992","11.2952","0.0003","17.0907","0.0006","12.0417","0.0003","90","","94.541","0.003","90","","2317.27","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BHASOA","","- C27 H23 B F2 N6 -","- C27 H23 B F2 N6 -","- C108 H92 B4 F8 N24 -","4","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.059","0.0414","","","0.0925","0.1011","","","","","","1.039","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232993","6.2631","0.0005","11.5815","0.0007","16.431","0.0008","90.269","0.004","91.458","0.005","105.041","0.006","1150.56","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","BHASOB","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C58 H50 B2 F4 N8 -","2","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.0587","0.0448","","","0.1151","0.1271","","","","","","1.03","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232994","9.8116","0.0011","10.9371","0.001","13.6945","0.0012","89.204","0.007","87.705","0.008","78.296","0.008","1437.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 B Cu2 F2 I2 N4 -","- C29 H25 B Cu2 F2 I2 N4 -","- C58 H50 B2 Cu4 F4 I4 N8 -","2","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.1151","0.0758","","","0.1768","0.1993","","","","","","1.049","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232995","15.4104","0.0004","18.6531","0.0005","15.4547","0.0004","90","","96.747","0.001","90","","4411.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Al N2 -","- C22 H35 Al N2 -","- C176 H280 Al8 N16 -","8","2","","Liu, Wenqing; Ding, Yi; Jin, Da; Shen, Qiumiao; Yan, Ben; Ma, Xiaoli; Yang, Zhi","Organic aluminum hydrides catalyze nitrile hydroboration","Green Chemistry","2019","21","14","3812","","10.1039/C9GC01659G","","","0.71073","MoKα","","0.1105","0.0522","","","0.1188","0.1412","","","","","","1.019","","","","has coordinates","224618","2020-10-21","18:00:00",""
"7232996","27.963","0.005","16.952","0.003","12.983","0.002","90","","107.713","0.005","90","","5862.6","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H47 Al N2 -","- C31 H47 Al N2 -","- C248 H376 Al8 N16 -","8","2","","Liu, Wenqing; Ding, Yi; Jin, Da; Shen, Qiumiao; Yan, Ben; Ma, Xiaoli; Yang, Zhi","Organic aluminum hydrides catalyze nitrile hydroboration","Green Chemistry","2019","21","14","3812","","10.1039/C9GC01659G","","","0.71073","MoKα","","0.0711","0.0511","","","0.123","0.1333","","","","","","1.012","","","","has coordinates","224618","2020-10-21","18:00:00",""
"7232997","7.5895","0.0008","9.8629","0.001","14.7226","0.0017","90","","95.149","0.004","90","","1097.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N8 O4 -","- C9 H6 N8 O4 -","- C36 H24 N32 O16 -","4","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1335","0.0599","","","0.0994","0.1241","","","","","","1.057","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7232998","7.0409","0.0014","10.232","0.002","19.848","0.004","87.614","0.005","85.009","0.005","82.298","0.005","1411","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N16 O15 -","- C16 H23 Cl N16 O15 -","- C32 H46 Cl2 N32 O30 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1482","0.0823","","","0.2","0.2536","","","","","","0.979","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7232999","7.773","0.006","9.309","0.008","10.386","0.008","77.691","0.017","78.764","0.017","87.961","0.018","720.2","1","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl N9 O6 -","- C9 H8 Cl N9 O6 -","- C18 H16 Cl2 N18 O12 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.0799","0.0601","","","0.1697","0.1929","","","","","","1.025","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233000","10.704","0.004","10.704","","23.932","0.009","90","","90","","90","","2742","1.5","153","","153","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H15 N18 O15 -","- C16 H15 N18 O15 -","- C64 H60 N72 O60 -","4","0.5","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1337","0.0617","","","0.12","0.1592","","","","","","1.009","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233001","3.9198","0.0002","25.3323","0.0011","7.1542","0.0003","90","","97.305","0.005","90","","704.63","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C38 H30 N2 O4 -","2","1","","Liang, Yaofeng; Teng, Lili; Wang, Yajun; He, Qiuxing; Cao, Hua","A visible-light-induced intermolecular [3 + 2] alkenylation‒cyclization strategy: metal-free construction of pyrrolo[2,1,5-cd]indolizine rings","Green Chemistry","2019","21","15","4025","","10.1039/C9GC01766F","","x-ray","1.54184","CuKα","","0.0385","0.0367","","","0.0949","0.0966","","","","","","1.067","","","","has coordinates","224627","2020-10-21","18:00:00",""
"7233002","6.8574","0.0008","8.7551","0.0011","15.6015","0.0018","74.57","0.005","81.993","0.006","84.59","0.006","892.5","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N2 O3 S -","- C19 H15 Cl N2 O3 S -","- C38 H30 Cl2 N4 O6 S2 -","2","1","","Ahmed, Owais; Cherkadu, Vandana; Kalavagunta, Praveen Kumar; Shang, Jing","Solvent-dependent regio- and stereo-selective reactions of 3-formylchromones with 2-aminobenzothiazoles and transacetalization efficiency of the product 3-((benzo[d]thiazol-2-ylimino)butyl)-4H-chromen-4-one","RSC Advances","2019","9","36","20573","","10.1039/C9RA02763G","","","1.54178","CuKα","","0.0514","0.0438","","","0.1209","0.13","","","","","","1.037","","","","has coordinates","216699","2020-10-21","18:00:00",""
"7233003","6.8422","0.0003","10.6873","0.0005","11.6987","0.0006","91.775","0.003","105.866","0.003","108.24","0.003","775.14","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br Mn N3 O3 -","- C15 H9 Br Mn N3 O3 -","- C30 H18 Br2 Mn2 N6 O6 -","2","1","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.0575","0.044","","","0.1092","0.1173","","","","","","1.041","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233004","11.2347","0.0007","12.2555","0.0007","16.448","0.001","82.506","0.002","88.492","0.003","77.515","0.002","2192.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cl Mn N3 O6 P2 -","- C50 H39 Cl Mn N3 O6 P2 -","- C100 H78 Cl2 Mn2 N6 O12 P4 -","2","1","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.047","0.0353","","","0.0914","0.0996","","","","","","1.036","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233005","7.2679","0.0014","15.531","0.005","20.574","0.004","90","","98.92","0.017","90","","2294.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br Mn N5 O4 -","- C23 H17 Br Mn N5 O4 -","- C92 H68 Br4 Mn4 N20 O16 -","4","1","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.2399","0.0948","","","0.1679","0.2319","","","","","","0.98","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233006","7.09","0.002","18.276","0.006","13.255","0.004","90","","96.754","0.006","90","","1705.6","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.25 H2.5 Br0.25 Mn0.25 N O0.75 -","- C4.25 H2.5 Br0.25 Mn0.25 N O0.75 -","- C68 H40 Br4 Mn4 N16 O12 -","16","4","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.1025","0.048","","","0.0848","0.1019","","","","","","0.9305","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233007","9.449","0.004","15.591","0.007","17.606","0.007","99.55","0.02","97.95","0.016","107.597","0.011","2388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1","1","","- C24 H18 Cl2 Hg N2 O4 -","- C24 H18 Cl2 Hg N2 O4 -","- C96 H72 Cl8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1122","0.0769","","","0.1548","0.176","","","","","","1.067","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233008","33.59","0.04","5.376","0.006","13.679","0.017","90","","112.928","0.013","90","","2275","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4","4","","- C22 H16 Cl2 Hg N4 O4 -","- C22 H16 Cl2 Hg N4 O4 -","- C88 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0513","0.0446","","","0.1091","0.1148","","","","","","1.149","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233009","9.436","0.005","15.89","0.01","17.648","0.01","99.93","0.03","97.67","0.02","107.083","0.017","2443","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2","2","","- C24 H18 Br2 Hg N2 O4 -","- C24 H18 Br2 Hg N2 O4 -","- C96 H72 Br8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1089","0.0785","","","0.1651","0.1828","","","","","","1.085","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233010","18.977","0.013","4.969","0.003","26.436","0.017","90","","97.967","0.008","90","","2469","3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","5","","- C22 H16 Br2 Hg N4 O4 -","- C22 H16 Br2 Hg N4 O4 -","- C88 H64 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0638","0.054","","","0.1149","0.121","","","","","","1.095","","","","has coordinates,has disorder","223527","2020-10-21","18:00:00",""
"7233011","22.181","0.007","10.916","0.003","27.34","0.007","90","","127.333","0.018","90","","5264","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","3","","- C24 H18 Hg I2 N2 O4 -","- C24 H18 Hg I2 N2 O4 -","- C192 H144 Hg8 I16 N16 O32 -","8","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0605","0.0493","","","0.1179","0.1247","","","","","","1.109","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233012","4.8756","0.001","9.889","0.002","14.245","0.003","85.77","0.03","88.56","0.03","80.94","0.03","676.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C15 H8 F6 N3 -","- C15 H8 F6 N3 -","- C30 H16 F12 N6 -","2","1","","Constantinides, Christos P.; Lawson, Daniel B.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Koutentis, Panayiotis A.","Ferromagnetic interactions in a 1D Heisenberg linear chain of 1-phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yls","CrystEngComm","2019","21","31","4599","","10.1039/C9CE00739C","","","1.54184","CuKα","","0.1545","0.1359","","","0.401","0.4092","","","","","","1.098","","","","has coordinates,has disorder","223676","2020-10-21","18:00:00",""
"7233013","7.457","0.005","7.942","0.007","11.259","0.007","71.93","0.06","74.01","0.04","89.57","0.07","607.2","0.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0726","0.0454","","","0.118","0.1323","","","","","","1.02","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233014","7.699","0.0017","8.464","0.008","10.046","0.004","85.13","0.05","83.78","0.03","89.63","0.04","648.4","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0745","","","","0.2404","","","","","","1.004","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233015","7.659","0.008","8.117","0.006","23.27","0.03","90","","96.74","0.08","90","","1437","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 S6 -","- C32 H26 N2 S6 -","- C64 H52 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0556","","","","0.1656","","","","","","0.927","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233016","8.64","0.008","9.63","0.005","9.702","0.005","107.84","0.04","108.51","0.05","101.57","0.06","687.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0755","","","","0.2391","","","","","","1.085","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233017","7.564","0.003","7.574","0.006","22.841","0.011","90","","96.9","0.03","90","","1299.1","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S6 -","- C28 H24 N2 S6 -","- C56 H48 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0584","0.0401","","","0.104","0.1144","","","","","","1.05","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233018","7.506","0.004","7.856","0.007","10.872","0.004","69.79","0.05","76.82","0.04","89.71","0.06","583.9","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.055","","","","0.1732","","","","","","1.017","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233019","7.541","0.006","8.263","0.006","11.632","0.007","70.08","0.05","75.07","0.06","89.43","0.06","656","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.1258","0.053","","","0.1264","0.1543","","","","","","0.999","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233020","7.317","0.004","7.754","0.014","11.041","0.005","104.81","0.07","101.31","0.04","91.4","0.09","592","1.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2946","","","","","","1.009","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233021","7.365","0.003","8.101","0.008","12.063","0.004","88.18","0.06","82.11","0.03","83.41","0.06","708.1","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2326","","","","","","1.049","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233022","7.271","0.003","9.426","0.009","11.546","0.006","67.88","0.05","74.83","0.04","79.16","0.05","704","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0538","","","","0.1582","","","","","","1","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233023","7.326","0.003","8.145","0.004","11.233","0.004","92.52","0.03","103.51","0.03","97.61","0.04","644","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0767","","","","0.2532","","","","","","0.967","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233024","9.2594","0.0005","14.0086","0.0008","23.9807","0.0014","75.588","0.002","79.665","0.002","77.224","0.002","2912.5","0.3","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N2 O15 Ru5 -","- C21 H6 N2 O15 Ru5 -","- C84 H24 N8 O60 Ru20 -","4","2","","Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CHCH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CHC)(μ-H)3","RSC Advances","2019","9","36","21025","","10.1039/C9RA03841H","","","0.71073","MoKα","","0.0163","0.014","","","0.0298","0.0305","","","","","","1.112","","","","has coordinates","216770","2020-10-21","18:00:00",""
"7233025","10.878","0.0007","18.0767","0.0011","19.8398","0.0012","90","","96.527","0.002","90","","3876","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 N2 O6 P2 Ru3 -","- C38 H30 Cl2 N2 O6 P2 Ru3 -","- C152 H120 Cl8 N8 O24 P8 Ru12 -","4","1","","Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CHCH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CHC)(μ-H)3","RSC Advances","2019","9","36","21025","","10.1039/C9RA03841H","","","0.71073","MoKα","","0.1155","0.057","","","0.0894","0.105","","","","","","1.027","","","","has coordinates","216770","2020-10-21","18:00:00",""
"7233026","10.3141","0.0012","31.916","0.004","13.0093","0.0014","90","","100.089","0.003","90","","4216.2","0.9","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 N2 O24 Ru8 -","- C30 H6 N2 O24 Ru8 -","- C120 H24 N8 O96 Ru32 -","4","1","","Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CHCH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CHC)(μ-H)3","RSC Advances","2019","9","36","21025","","10.1039/C9RA03841H","","","0.71073","MoKα","","0.0528","0.041","","","0.0756","0.0786","","","","","","1.178","","","","has coordinates","216770","2020-10-21","18:00:00",""
"7233027","25.864","0.005","17.137","0.003","15.838","0.003","90","","118.8","0.03","90","","6152","3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cd2 N6 O10 -","- C60 H42 Cd2 N6 O10 -","- C240 H168 Cd8 N24 O40 -","4","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0539","0.0483","","","0.1174","0.1209","","","","","","1.032","","","","has coordinates,has disorder","223515","2020-10-21","18:00:00",""
"7233028","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","223515","2020-10-21","18:00:00",""
"7233029","9.0814","0.0005","10.8169","0.0007","13.2198","0.001","71.227","0.006","77.368","0.006","76.688","0.005","1181.67","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N3 O4 -","- C28 H27 N3 O4 -","- C56 H54 N6 O8 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0619","0.0439","","","0.0913","0.1017","","","","","","1.069","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233030","10.4383","0.0008","11.4715","0.001","11.7976","0.0009","63.382","0.008","73.6","0.007","86.147","0.007","1208.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N5 O5 -","- C27 H25 N5 O5 -","- C54 H50 N10 O10 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.1028","0.0587","","","0.0893","0.111","","","","","","1.078","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233031","8.985","0.002","11.283","0.003","13.06","0.004","67.661","0.003","81.101","0.003","77.003","0.003","1189.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O4 -","- C28 H26 N4 O4 -","- C56 H52 N8 O8 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0686","0.0432","","","0.0831","0.0938","","","","","","1.046","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233032","10.674","0.003","11.727","0.003","12.647","0.003","94.364","0.005","108.528","0.004","97.669","0.005","1475.7","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N5 O6 -","- C33 H31 N5 O6 -","- C66 H62 N10 O12 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0815","0.0521","","","0.0993","0.1127","","","","","","1.027","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233033","8.8","0.002","13.141","0.003","13.204","0.003","113.694","0.007","99.703","0.007","107.153","0.007","1262.1","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N6 O7 -","- C27 H24 N6 O7 -","- C54 H48 N12 O14 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.1229","0.0564","","","0.1049","0.1187","","","","","","0.948","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233034","7.1822","0.001","14.0258","0.0018","15.777","0.0019","89.987","0.009","90.007","0.01","77.128","0.01","1549.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis","Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support","RSC Advances","2019","9","37","21302","","10.1039/C9RA03652K","","","0.71073","MoKα","","0.1952","0.1074","","","0.2463","0.2926","","","","","","1.13","","","","has coordinates","216855","2020-10-21","18:00:00",""
"7233035","10.8682","0.0005","11.1818","0.0006","16.0637","0.0008","88.542","0.003","73.254","0.002","70.084","0.003","1751.83","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","NPED SNND","","- C20 H16 N3 O4 -","- C19 H25 N3 O -","- C76 H100 N12 O4 -","4","2","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis","Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support","RSC Advances","2019","9","37","21302","","10.1039/C9RA03652K","","","0.71073","MoKα","","0.1113","0.0749","","","0.2233","0.2493","","","","","","1.575","","","","has coordinates","216855","2020-10-21","18:00:00",""
"7233036","16.524","0.003","5.9394","0.0012","13.232","0.002","90","","113.56","0.011","90","","1190.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis","Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support","RSC Advances","2019","9","37","21302","","10.1039/C9RA03652K","","","0.71073","MoKα","","0.0828","0.0525","","","0.1276","0.1502","","","","","","1.031","","","","has coordinates","216855","2020-10-21","18:00:00",""
"7233037","5.5006","0.0008","5.8258","0.0008","6.5611","0.0009","76.395","0.002","67.816","0.002","79.145","0.002","188.07","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0412","0.0385","","","0.1024","0.1049","","","","","","1.055","","","","has coordinates,has disorder","223530","2020-10-21","18:00:00",""
"7233038","7.439","0.002","8.215","0.002","8.298","0.002","97.332","0.004","104.578","0.004","104.053","0.004","466.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.067","0.0555","","","0.1517","0.1594","","","","","","1.109","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233039","5.654","0.003","5.802","0.003","6.648","0.003","76.505","0.008","66.44","0.007","79.984","0.008","193.59","0.17","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0496","0.0417","","","0.1165","0.1242","","","","","","1.053","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233040","8.2527","0.0013","6.6341","0.001","15.034","0.002","90","","99.847","0.002","90","","811","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0382","0.034","","","0.1012","0.1046","","","","","","1.095","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233041","8.9309","0.0009","6.7591","0.0007","10.8963","0.0011","90","","109.028","0.002","90","","621.81","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.039","0.0332","","","0.0839","0.0863","","","","","","1.089","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233042","8.9363","0.0013","6.7653","0.001","10.9019","0.0016","90","","109.053","0.003","90","","622.99","0.16","118","2","118","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.0388","0.0326","","","0.0798","0.0822","","","","","","1.064","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233043","8.9459","0.0009","6.788","0.0007","10.9215","0.001","90","","108.982","0.002","90","","627.14","0.11","217","2","217","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.0415","0.0333","","","0.0848","0.0905","","","","","","0.737","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233044","8.9415","0.0009","6.7764","0.0007","10.9128","0.0011","90","","109.007","0.002","90","","625.17","0.11","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.0396","0.0326","","","0.0761","0.0788","","","","","","1.001","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233045","8.9401","0.0009","6.778","0.0007","10.9123","0.0011","90","","108.995","0.002","90","","625.24","0.11","184","2","184","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.04","0.0326","","","0.0762","0.0789","","","","","","1.016","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233046","8.936","0.0009","6.7693","0.0007","10.9057","0.0011","90","","109.008","0.002","90","","623.72","0.11","151","2","151","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.04","0.0334","","","0.0792","0.0817","","","","","","1.062","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233047","8.9479","0.0008","6.7968","0.0006","10.9255","0.001","90","","108.967","0.002","90","","628.38","0.1","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.0396","0.0324","","","0.0745","0.0772","","","","","","1.076","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233048","8.9566","0.001","6.8133","0.0008","10.9391","0.0012","90","","108.913","0.002","90","","631.51","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.0421","0.0334","","","0.076","0.0794","","","","","","1.037","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233049","8.9369","0.0012","6.7675","0.0009","10.9024","0.0015","90","","109.052","0.003","90","","623.26","0.15","137","2","137","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl Cu S -","- C4 H9 Cl Cu S -","- C16 H36 Cl4 Cu4 S4 -","4","1","","Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D.","Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02891A","","x-ray","0.71073","MoKα","","0.0374","0.0314","","","0.0759","0.078","","","","","","1.085","","","","has coordinates","216916","2020-10-21","18:00:00",""
"7233050","9.3","0.0008","9.3023","0.0008","11.3137","0.001","94.166","0.007","108.407","0.008","96.344","0.007","916.98","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","1","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0776","0.0673","","","0.1822","0.1899","","","","","","1.079","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233051","8.8991","0.0003","13.0969","0.0004","19.863","0.0006","90","","90.033","0.003","90","","2315.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl4 N2 O3 Zn2 -","- C49 H48 Cl4 N2 O3 Zn2 -","- C98 H96 Cl8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0326","0.03","","","0.077","0.0787","","","","","","1.04","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233052","17.659","0.004","15.216","0.003","6.9834","0.0012","90","","94.06","0.02","90","","1871.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 Zn -","- C19 H18 Cl2 N2 O3 Zn -","- C76 H72 Cl8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.1643","0.0982","","","0.2086","0.2361","","","","","","1.063","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233053","11.8909","0.0007","12.6582","0.0007","25.0471","0.0016","90","","98.073","0.006","90","","3732.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 N4 O6 Zn -","- C38 H37 Cl3 N4 O6 Zn -","- C152 H148 Cl12 N16 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0624","0.0422","","","0.0938","0.102","","","","","","1.04","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233054","10.1512","0.0003","12.0717","0.0004","21.8754","0.0007","84.876","0.003","77.406","0.002","65.333","0.003","2377.43","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","","- C22 H26 Br2 N O3 Zn -","- C22 H26 Br2 N O3 Zn -","- C88 H104 Br8 N4 O12 Zn4 -","4","2","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.063","0.0567","","","0.1558","0.1657","","","","","","1.052","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233055","8.289","0.0005","21.5395","0.0016","12.2257","0.0011","90","","97.748","0.007","90","","2162.9","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N O2 Zn -","- C19 H22 Cl3 N O2 Zn -","- C76 H88 Cl12 N4 O8 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.1045","0.0651","","","0.1083","0.1217","","","","","","1.084","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233056","8.8651","0.00016","14.8667","0.0004","15.2523","0.0005","113.831","0.003","94.587","0.002","91.7161","0.0019","1828.62","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","","- C38 H36 Cl2 N4 O6 Zn -","- C38 H36 Cl2 N4 O6 Zn -","- C76 H72 Cl4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0393","0.0369","","","0.1015","0.1049","","","","","","1.031","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233057","12.388","0.006","13.671","0.007","14.855","0.008","108.02","0.05","101.2","0.04","101.01","0.04","2260","2","293","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl4 N4 O12 Zn2 -","- C38 H36 Cl4 N4 O12 Zn2 -","- C76 H72 Cl8 N8 O24 Zn4 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.2868","0.1182","","","0.2032","0.247","","","","","","1.074","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233058","8.9744","0.00014","12.9849","0.0002","20.5608","0.0003","90","","91.4476","0.0014","90","","2395.22","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) tetrabromide acetone solvate","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) propan-2-one tetrabromide","","- C49 H48 Br4 N2 O3 Zn2 -","- C49 H48 Br4 N2 O3 Zn2 -","- C98 H96 Br8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0405","0.0352","","","0.0908","0.0961","","","","","","1.037","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233059","21.9384","0.0011","9.7692","0.0004","21.2029","0.001","90","","97.634","0.005","90","","4503.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H56 Cl4 N2 O7 Zn2 -","- C44 H56 Cl4 N2 O7 Zn2 -","- C176 H224 Cl16 N8 O28 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0448","0.0389","","","0.0934","0.0972","","","","","","1.042","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233060","17.517","0.007","15.29","0.004","7.252","0.002","90","","92.47","0.03","90","","1940.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 N2 O3 Zn -","- C19 H18 Br2 N2 O3 Zn -","- C76 H72 Br8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.2563","0.1949","","","0.3823","0.4257","","","","","","1.439","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233061","6.5663","0.0008","15.809","0.0012","20.1333","0.0015","90","","90","","90","","2090","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl2 N2 O6 Zn -","- C19 H24 Cl2 N2 O6 Zn -","- C76 H96 Cl8 N8 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.6866","synchrotron","","0.1007","0.0699","","","0.1286","0.1396","","","","","","1.048","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233062","14.4022","0.0007","13.0338","0.0006","26.6165","0.0016","90","","99.77","0.006","90","","4923.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br4 N7 O6 Zn2 -","- C44 H45 Br4 N7 O6 Zn2 -","- C176 H180 Br16 N28 O24 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0632","0.0458","","","0.1028","0.1101","","","","","","1.06","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233063","9.1737","0.0006","14.969","0.0014","15.421","0.002","116.717","0.011","98.405","0.008","89.487","0.007","1867.4","0.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br2 N4 O6 Zn -","- C38 H36 Br2 N4 O6 Zn -","- C76 H72 Br4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0611","0.0416","","","0.0873","0.0949","","","","","","1.038","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233064","11.6156","0.0011","13.0124","0.0006","14.0058","0.0014","77.862","0.006","76.661","0.008","87.03","0.006","2013.8","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl4 Co N4 O7 -","- C38 H40 Cl4 Co N4 O7 -","- C76 H80 Cl8 Co2 N8 O14 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0632","","","0.1293","0.144","","","","","","1.041","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233065","11.9195","0.0009","12.6137","0.0007","25.1143","0.0014","90","","97.136","0.006","90","","3746.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 Co N4 O6 -","- C38 H37 Cl3 Co N4 O6 -","- C152 H148 Cl12 Co4 N16 O24 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0547","","","0.0971","0.1128","","","","","","1.023","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233066","11.8302","0.0004","12.7363","0.0003","24.687","0.0009","90","","98.6","0.003","90","","3677.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.07 H39.68 Br2.46 N4 O6.54 Zn -","- C39.0728 H39.6824 Br2.464 N4 O6.5364 Zn -","- C156.291 H158.73 Br9.856 N16 O26.1456 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0681","0.0529","","","0.1249","0.1316","","","","","","1.047","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233067","18.5626","0.0007","18.5626","0.0007","23.7453","0.001","90","","90","","120","","7085.8","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H16 Cu2 N O10 -","- C138 H96 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0776","0.0677","","","0.2631","0.2745","","","","","","1.091","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233068","18.6231","0.0007","18.6231","0.0007","23.8591","0.001","90","","90","","120","","7166.2","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0717","0.0488","","","0.1705","0.2016","","","","","","1.034","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233069","10.2378","0.0011","10.1117","0.0009","13.0302","0.001","90","","92.895","0.005","90","","1347.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0588","0.0436","","","0.1258","0.145","","","","","","1.057","","","","has coordinates","223513","2020-10-21","18:00:00",""
"7233070","16.1385","0.0017","4.7309","0.0005","15.7978","0.0017","90","","114.296","0.005","90","","1099.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0893","0.0602","","","0.1476","0.1743","","","","","","1.125","","","","has coordinates","223513","2020-10-21","18:00:00",""
"7233071","10.5391","0.0009","9.15","0.0014","19.861","0.002","90","","90","","90","","1915.3","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","","Zhang, Dongsheng; Fan, Yingzhu; Yan, Zhongliang; Nie, Yi; Xiong, Xingquan; Gao, Lizhu","Reactions of α-haloacroleins with azides: highly regioselective synthesis of formyl triazoles","Green Chemistry","2019","21","15","4211","","10.1039/C9GC01129C","","x-ray","0.71073","MoKα","","0.0629","0.0452","","","0.141","0.1777","","","","","","0.683","","","","has coordinates","224629","2020-10-21","18:00:00",""
"7233072","8.6578","0.0003","10.0035","0.0004","11.6371","0.0004","78.764","0.001","75.978","0.001","67.163","0.001","895.44","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Paul, Mathias; Peckelsen, Katrin; Thomulka, Thomas; Neudoerfl, Joerg; Martens, Jonathan; Berden, Giel; Oomens, Jos; Berkessel, Albrecht; Meijer, Anthony J. H. M.; Schäfer, Mathias","Hydrogen Tunneling Avoided: Enol-Formation From a Charge-tagged Phenyl Pyruvic Acid Derivative Evidenced by Tandem-MS, IR Ion Spectroscopy and Theory","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02316J","","","1.54178","CuKα","","0.0476","0.044","","","0.1248","0.1273","","","","","","1.106","","","","has coordinates","216953","2020-10-21","18:00:00",""
"7233073","10.2439","0.0003","11.9323","0.0003","14.7966","0.0004","72.918","0.001","83.311","0.001","65.747","0.001","1576.24","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 I2 N3 O7 -","- C26 H37 I2 N3 O7 -","- C52 H74 I4 N6 O14 -","2","1","","Paul, Mathias; Peckelsen, Katrin; Thomulka, Thomas; Neudoerfl, Joerg; Martens, Jonathan; Berden, Giel; Oomens, Jos; Berkessel, Albrecht; Meijer, Anthony J. H. M.; Schäfer, Mathias","Hydrogen Tunneling Avoided: Enol-Formation From a Charge-tagged Phenyl Pyruvic Acid Derivative Evidenced by Tandem-MS, IR Ion Spectroscopy and Theory","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02316J","","","1.54178","CuKα","","0.0384","0.0365","","","0.0966","0.0994","","","","","","1.048","","","","has coordinates","216953","2020-10-21","18:00:00",""
"7233074","6.7932","0.0003","10.6086","0.0005","24.6911","0.0012","90","","92.86","0.004","90","","1777.18","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N2 O5 P -","- C17 H23 N2 O5 P -","- C68 H92 N8 O20 P4 -","4","1","","Wang, Jiaxing; Tao, Yong; Feng, Jing; Niu, Yidong; Liu, Jichao; Huang, Yanbin","In vitro and in vivo evaluation of benzathine foscarnet microcrystals as a potential intravitreal drug depot","RSC Advances","2019","9","37","21318","","10.1039/C9RA03070K","","x-ray","1.54184","CuKα","","0.1145","0.1069","","","0.2699","0.2728","","","","","","1.286","","","","has coordinates","216954","2020-10-21","18:00:00",""
"7233075","10.3661","0.0005","10.1971","0.0005","19.6351","0.0009","90","","98.776","0.005","90","","2051.21","0.17","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(6-(benzyloxy)-5-methylene-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)(phenyl)methanone","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Wu, Qi; Shao, Pan-Lin; He, Yun","Synthesis of 1,4,5,6-tetrahydropyridazines and pyridazines via transition-metal-free (4 + 2) cycloaddition of alkoxyallenes with 1,2-diaza-1,3-dienes","RSC Advances","2019","9","37","21507","","10.1039/C9RA02712B","","","0.71073","MoKα","","0.0916","0.0574","","","0.1259","0.1517","","","","","","1.101","","","","has coordinates","216955","2020-10-21","18:00:00",""
"7233083","14.6447","0.001","10.5774","0.0008","16.4505","0.0012","90","","103.302","0.002","90","","2479.9","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PrTPTZ","","","- C20 H15 N10 O9 Pr -","- C20 H15 N10 O9 Pr -","- C80 H60 N40 O36 Pr4 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0875","0.0551","","","0.158","0.1988","","","","","","1.078","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233084","14.62","0.0007","10.5736","0.0005","16.4263","0.0007","90","","103.281","0.001","90","","2471.4","0.2","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NdTPTZ","","","- C20 H15 N10 Nd O9 -","- C20 H15 N10 Nd O9 -","- C80 H60 N40 Nd4 O36 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0501","0.041","","","0.0915","0.0974","","","","","","1.094","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233085","9.5767","0.0002","10.6201","0.0002","13.5852","0.0003","90.103","0.001","84.903","0.001","69.067","0.001","1284.56","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","HoTPTZ","","","- C20 H17 Ho N10 O10 -","- C20 H17 Ho N10 O10 -","- C40 H34 Ho2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0318","0.0302","","","0.0772","0.0786","","","","","","1.039","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233086","9.5728","0.0002","10.6394","0.0003","13.7014","0.0003","89.908","0.001","84.942","0.001","69.801","0.001","1303.93","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","NdTPTZ","","","- C20 H17 N10 Nd O10 -","- C20 H17 N10 Nd O10 -","- C40 H34 N20 Nd2 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.04","0.0356","","","0.0842","0.0876","","","","","","1.045","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233087","9.5833","0.0012","10.6466","0.0013","13.7055","0.0015","89.78","0.004","84.84","0.004","69.902","0.004","1307.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","PrTPTZ","","","- C20 H17 N10 O10 Pr -","- C20 H17 N10 O10 Pr -","- C40 H34 N20 O20 Pr2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.041","0.0382","","","0.0961","0.0989","","","","","","1.041","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233088","9.5666","0.0006","10.6253","0.0006","13.6627","0.0007","89.966","0.002","84.946","0.002","69.6","0.002","1295.95","0.13","303","2","303","2","","","","","","","","5","P -1","-P 1","2","SmTPTZ","","","- C20 H17 N10 O10 Sm -","- C20 H17 N10 O10 Sm -","- C40 H34 N20 O20 Sm2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0375","0.0333","","","0.0821","0.0855","","","","","","1.041","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233089","9.5825","0.0002","10.6229","0.0003","13.5597","0.0003","90.071","0.001","84.831","0.001","68.906","0.001","1281.72","0.05","288","2","288","2","","","","","","","","5","P -1","-P 1","2","ErTPTZ","","","- C20 H17 Er N10 O10 -","- C20 H17 Er N10 O10 -","- C40 H34 Er2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0362","0.0323","","","0.0798","0.0867","","","","","","1.065","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233090","9.912","0.0013","11.7216","0.0016","12.4564","0.0017","95.57","0.005","94.166","0.005","100.89","0.004","1408.3","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","LuTPTZ","","","- C22 H20 Lu N11 O10 -","- C22 H20 Lu N11 O10 -","- C44 H40 Lu2 N22 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0328","0.0316","","","0.0826","0.0837","","","","","","1.054","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233091","9.926","0.002","11.74","0.003","12.473","0.003","95.343","0.008","94.291","0.008","100.894","0.008","1414.7","0.6","292","2","292","2","","","","","","","","5","P -1","-P 1","2","TmTPTZ","","","- C22 H20 N11 O10 Tm -","- C22 H20 N11 O10 Tm -","- C44 H40 N22 O20 Tm2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0342","0.0325","","","0.0845","0.0861","","","","","","1.027","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233092","9.5677","0.0002","10.6207","0.0002","13.6374","0.0003","90.032","0.001","84.971","0.001","69.436","0.001","1291.75","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","GdTPTZ","","","- C20 H17 Gd N10 O10 -","- C20 H17 Gd N10 O10 -","- C40 H34 Gd2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0337","0.0317","","","0.0804","0.082","","","","","","1.029","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233093","9.345","0.003","19.718","0.005","11.382","0.003","90","","96.384","0.009","90","","2084.3","1","283","2","283","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UTPYZ","","","- C18 H12 N8 O8 U -","- C18 H12 N8 O8 U -","- C72 H48 N32 O32 U4 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0282","0.0195","","","0.0433","0.0476","","","","","","1.048","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233094","9.9111","0.0011","11.7258","0.0012","12.4564","0.0013","95.469","0.004","94.225","0.004","100.88","0.004","1408.9","0.3","302","2","302","2","","","","","","","","5","P -1","-P 1","2","YbTPTZ","","","- C22 H20 N11 O10 Yb -","- C22 H20 N11 O10 Yb -","- C44 H40 N22 O20 Yb2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0767","0.044","","","0.0988","0.1253","","","","","","1.046","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233095","9.5688","0.0005","10.6168","0.0005","13.6158","0.0007","90.041","0.002","84.944","0.002","69.288","0.002","1288.04","0.11","280","2","280","2","","","","","","","","5","P -1","-P 1","2","TbTPTZ","","","- C20 H17 N10 O10 Tb -","- C20 H17 N10 O10 Tb -","- C40 H34 N20 O20 Tb2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0343","0.0323","","","0.0828","0.0845","","","","","","1.049","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233096","9.5675","0.0005","10.6223","0.0006","13.6502","0.0007","90.02","0.002","84.971","0.002","69.52","0.002","1293.85","0.12","302","2","302","2","","","","","","","","5","P -1","-P 1","2","EuTPTZ","","","- C20 H17 Eu N10 O10 -","- C20 H17 Eu N10 O10 -","- C40 H34 Eu2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0339","0.0323","","","0.0816","0.083","","","","","","1.036","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233097","9.5733","0.0003","10.6196","0.0003","13.5996","0.0004","90.078","0.001","84.911","0.001","69.159","0.001","1286.24","0.07","303","2","303","2","","","","","","","","5","P -1","-P 1","2","DyTPTZ","","","- C20 H17 Dy N10 O10 -","- C20 H17 Dy N10 O10 -","- C40 H34 Dy2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0323","0.0304","","","0.0784","0.08","","","","","","1.038","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233098","11.0905","0.0006","10.9922","0.0005","16.1833","0.0008","90","","90","","90","","1972.89","0.17","130","0.1","130","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Imidazolium 2-hydroxybenzoate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej","Toward a new type of proton conductors based on imidazole and aromatic acids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01888C","","","0.71073","MoKα","","0.0551","0.045","","","0.1132","0.1222","","","","","","1.087","","","","has coordinates","217000","2020-10-21","18:00:00",""
"7233099","8.7106","0.0006","12.3618","0.0006","9.2744","0.0007","90","","111.594","0.008","90","","928.56","0.12","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Imidazolium benzoate","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej","Toward a new type of proton conductors based on imidazole and aromatic acids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01888C","","","0.71073","MoKα","","0.0489","0.0416","","","0.1035","0.11","","","","","","1.059","","","","has coordinates","217000","2020-10-21","18:00:00",""
"7233100","11.3708","0.0002","11.3708","0.0002","38.3225","0.0014","90","","90","","90","","4954.9","0.2","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)cobalt(II) bromide chloride","","- C4 H16 Br1.052 Cl0.948 Co N4 O4 -","- C4 H16 Br1.052 Cl0.948 Co N4 O4 -","- C64 H256 Br16.832 Cl15.168 Co16 N64 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0524","0.0538","","","","","","1.035","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233101","7.3966","0.0004","19.1784","0.0008","10.1512","0.0004","90","","90","","90","","1440","0.11","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 Co I2 N4 O4 -","- C4 H16 Co I2 N4 O4 -","- C16 H64 Co4 I8 N16 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0531","0.0327","","","0.0529","0.0602","","","","","","1.029","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233102","11.3175","0.0003","11.3175","0.0003","38.0842","0.0014","90","","90","","90","","4878","0.3","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)nickel(II) bromide chloride","","- C4 H16 Br0.937 Cl1.063 N4 Ni O4 -","- C4 H16 Br0.937 Cl1.063 N4 Ni O4 -","- C64 H256 Br14.992 Cl17.008 N64 Ni16 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0254","0.0223","","","0.0474","0.0485","","","","","","1.103","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233103","8.0185","0.0004","8.6901","0.0004","11.0929","0.0005","84.575","0.004","77.367","0.004","72.679","0.004","719.69","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Cu2 I3 N4 O2 -","- C4 H12 Cu2 I3 N4 O2 -","- C8 H24 Cu4 I6 N8 O4 -","2","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0387","0.0259","","","0.0586","0.0686","","","","","","0.843","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233104","4.6688","0.0009","6.2057","0.0013","8.898","0.002","90","","101.486","0.019","90","","252.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","glycinamide hydrochloride","","- C2 H7 Cl N2 O -","- C2 H7 Cl N2 O -","- C4 H14 Cl2 N4 O2 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.045","0.0369","","","0.0921","0.0977","","","","","","1.085","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233105","4.688","0.0001","18.6082","0.0004","6.7363","0.0002","90","","90","","90","","587.64","0.02","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","glycinamide hydroiodide","2-aminoacetamide hydroiodide","","- C2 H7 I N2 O -","- C2 H7 I N2 O -","- C8 H28 I4 N8 O4 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0246","0.0188","","","0.0409","0.043","","","","","","1.109","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233106","7.5456","0.0003","18.9706","0.0007","10.1902","0.0003","90","","90","","90","","1458.67","0.09","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 I2 N4 Ni O4 -","- C4 H16 I2 N4 Ni O4 -","- C16 H64 I8 N16 Ni4 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0378","0.0299","","","0.065","0.0698","","","","","","1.093","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233107","7.0098","0.0005","7.8128","0.0003","9.41","0.0005","90","","101.963","0.006","90","","504.16","0.05","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br1.3 Cl0.7 Cu N4 O2 -","- C4 H12 Br1.298 Cl0.702 Cu N4 O2 -","- C8 H24 Br2.596 Cl1.404 Cu2 N8 O4 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0288","0.0238","","","0.0553","0.0571","","","","","","1.122","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233108","11.2394","0.0005","11.2394","0.0005","37.594","0.004","90","","90","","90","","4749","0.6","150","2","150","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)nickel(II) chloride","","- C4 H16 Cl2 N4 Ni O4 -","- C4 H16 Cl2 N4 Ni O4 -","- C64 H256 Cl32 N64 Ni16 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0378","0.0269","","","0.055","0.0592","","","","","","1.079","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233109","6.8813","0.0002","7.742","0.0002","9.2635","0.0002","90","","101.779","0.003","90","","483.12","0.02","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichloro(glycinamide)copper(II)","","- C4 H12 Cl2 Cu N4 O2 -","- C4 H12 Cl2 Cu N4 O2 -","- C8 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0153","0.0151","","","0.0477","0.0479","","","","","","0.975","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233110","11.3145","0.0002","11.3145","0.0002","37.9735","0.0008","90","","90","","90","","4861.29","0.16","293","2","293","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)cobalt(II) chloride","","- C4 H16 Cl2 Co N4 O4 -","- C4 H16 Cl2 Co N4 O4 -","- C64 H256 Cl32 Co16 N64 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0177","0.0169","","","0.0423","0.0426","","","","","","1.129","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233111","7.2589","0.0007","10.3706","0.001","19.2258","0.0017","90","","98.742","0.009","90","","1430.5","0.2","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 I2 N4 Ni O4 -","- C4 H16 I2 N4 Ni O4 -","- C16 H64 I8 N16 Ni4 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0406","0.0353","","","0.0993","0.102","","","","","","1.19","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233133","6.2281","0.0005","19.4672","0.0019","15.2664","0.0013","90","","95.993","0.008","90","","1840.8","0.3","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","x-ray","1.54184","CuKα","","0.0729","0.0533","","","0.1489","0.1692","","","","","","1.051","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233134","5.761","0.0012","9.921","0.002","16.902","0.003","75.2","0.03","88.4","0.03","74.52","0.03","899.3","0.4","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","1","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.1365","0.136","","","0.3838","0.3839","","","","","","1.224","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233135","16.234","0.003","11.13","0.002","12.499","0.003","90","","105.22","0.03","90","","2179.2","0.8","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu2 N2 O8 -","- C38 H46 Cu2 N2 O8 -","- C76 H92 Cu4 N4 O16 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.0325","0.0318","","","0.087","0.0876","","","","","","1.055","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233136","16.584","0.003","11.077","0.002","12.668","0.003","90","","107.26","0.03","90","","2222.3","0.9","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43.87 N2 O8 Zn2 -","- C38 H43.87 N2 O8 Zn2 -","- C76 H87.74 N4 O16 Zn4 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","Synchrotron","","0.1072","0.0851","","","0.1892","0.2078","","","","","","1.075","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233166","14.5403","0.0003","14.5403","0.0003","36.4429","0.0008","90","","90","","120","","6672.5","0.2","180","","180","","","","","","","","","5","P 61","P 61","169","","","","- C54 H53.77 Cl0.24 N2 O4 -","- C54 H53.764 Cl0.236 N2 O4 -","- C324 H322.584 Cl1.416 N12 O24 -","6","1","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.5418","CuKα","","0.0441","0.0438","","0.1007","0.1004","0.1007","","","","","","0.9255","","","","has coordinates,has disorder","217099","2020-10-21","18:00:00",""
"7233167","13.9434","0.0006","17.188","0.0008","17.1967","0.0008","90","","105.489","0.0017","90","","3971.7","0.3","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 F3 N2 O5 -","- C44 H49 F3 N2 O5 -","- C176 H196 F12 N8 O20 -","4","1","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.5418","CuKα","","0.0469","0.0452","","0.1126","0.1117","0.1125","","","","","","1.0194","","","","has coordinates,has disorder","217099","2020-10-21","18:00:00",""
"7233168","12.0248","0.0003","20.0249","0.0004","40.0398","0.0009","90","","93.8505","0.0012","90","","9619.6","0.4","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 N2 O6 -","- C55.9985 H61.9965 N2 O6 -","- C447.988 H495.972 N16 O48 -","8","2","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.54178","CuKα","","0.0733","0.0635","","0.1537","0.1421","0.1534","","","","","","0.974","","","","has coordinates,has disorder","217099","2020-10-21","18:00:00",""
"7233169","8.859","0.003","7.16","0.002","11.567","0.004","90","","95.287","0.011","90","","730.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H20 Cl4 N8 Zn2 -","- C26 H20 Cl4 N8 Zn2 -","- C26 H20 Cl4 N8 Zn2 -","1","0.25","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","","0.71073","MoKα","","0.0695","0.0549","","","0.1381","0.1466","","","","","","0.992","","","","has coordinates","217100","2020-10-21","18:00:00",""
"7233170","7.2313","0.0002","14.1852","0.0004","15.3646","0.0004","74.608","0.002","79.912","0.002","76.548","0.002","1466.99","0.07","116","2","116","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 F N4 Zn -","- C13 H9 Cl2 F N4 Zn -","- C52 H36 Cl8 F4 N16 Zn4 -","4","2","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","x-ray","1.54184","CuKα","","0.0845","0.0834","","","0.2387","0.2393","","","","","","1.119","","","","has coordinates,has disorder","217100","2020-10-21","18:00:00",""
"7233171","8.0697","0.0014","8.3754","0.0015","12.679","0.003","84.525","0.007","78.822","0.006","63.23","0.005","750.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N4 Zn -","- C14 H12 Cl2 N4 Zn -","- C28 H24 Cl4 N8 Zn2 -","2","1","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","","0.71073","MoKα","","0.0231","0.0223","","","0.0704","0.0709","","","","","","1.166","","","","has coordinates","217100","2020-10-21","18:00:00",""
"7233172","8.8612","0.0004","7.1511","0.0003","11.5516","0.0005","90","","95.301","0.004","90","","728.86","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl2 N5 Zn -","- C12 H9 Cl2 N5 Zn -","- C24 H18 Cl4 N10 Zn2 -","2","0.5","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","x-ray","1.54184","CuKα","","0.0491","0.0428","","","0.1444","0.1492","","","","","","1.105","","","","has coordinates,has disorder","217100","2020-10-21","18:00:00",""
"7233173","13.127","0.0002","7.9802","0.0001","13.2754","0.0002","90","","116.561","0.002","90","","1243.91","0.04","149.94","0.1","149.94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","lonimacranaldes A","","- C24 H36 O11 -","- C24 H36 O11 -","- C48 H72 O22 -","2","1","","Mei, Yu-Dan; Li, Hai-Bo; Pang, Qian-Qian; Li, Ting; Pan, Da-Bo; Dai, Yi; Qin, Da-Peng; Meng, He; Yao, Xin-Sheng; Yu, Yang","Lonimacranaldes A‒C, three iridoids with novel skeletons from Lonicera macranthoides","RSC Advances","2019","9","38","22011","","10.1039/C9RA04029C","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0889","0.0899","","","","","","1.042","","","","has coordinates","217101","2020-10-21","18:00:00",""
"7233189","17.361","0.004","25.237","0.005","7.5371","0.0015","90","","90","","90","","3302.3","1.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Yu, Binhong; Wang, Yi; Wang, Lingrui; Tan, Xiao; Zhang, Yumo; Wang, Kai; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Spontaneous proton transfer in a series of amphoteric molecules under hydrostatic pressure","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02445J","","","0.71073","MoKα","","0.0907","0.0523","","","0.1138","0.1303","","","","","","1.033","","","","has coordinates","217139","2020-10-21","18:00:00",""
"7233207","9.7993","0.0004","9.7993","0.0004","7.2938","0.0003","90","","90","","120","","606.56","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.952 O25.66 P6 Sr10 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Jesche, Anton; Seidler, Maximilian L.; Tafeenko, Victor A.; Eliseev, Andrey A.; Trusov, Lev A.; Jansen, Martin","Manifestation of strong magnetic and giant Raman anisotropy in single crystals of Cu for H substituted strontium hydroxyapatite","CrystEngComm","2019","21","33","4976","","10.1039/C9CE00923J","","x-ray","0.71073","MoKα","","0.0537","0.0262","","","0.0254","0.0278","","","","1.1","1.1","0.97","","","","has coordinates","223529","2020-10-21","18:00:00",""
"7233208","8.9341","0.0004","8.9659","0.0005","11.9315","0.0006","75.325","0.004","81.348","0.004","89.62","0.004","913.55","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","tenoxicam acetone solvate","","","- C16 H17 N3 O5 S2 -","- C16 H17 N3 O5 S2 -","- C32 H34 N6 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.0518","0.0378","","","0.0971","0.1079","","","","","","1.052","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233209","9.596","0.0019","16.74","0.003","28.301","0.006","90","","90","","90","","4546.2","1.6","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tenoxicam chloroform II solvate","","","- C15 H13 Cl6 N3 O4 S2 -","- C15 H13 Cl6 N3 O4 S2 -","- C120 H104 Cl48 N24 O32 S16 -","8","2","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0869","0.0636","","","0.1623","0.1783","","","","","","1.03","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233210","9.1718","0.0003","8.9965","0.0003","21.1092","0.0008","90","","98.591","0.004","90","","1722.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tenoxicam acetonitrile solvat","","","- C15 H14 N4 O4 S2 -","- C15 H14 N4 O4 S2 -","- C60 H56 N16 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0613","0.0434","","","0.0934","0.1011","","","","","","1.058","","","","has coordinates","223698","2020-10-21","18:00:00",""
"7233211","9.106","0.0004","9.4381","0.0004","11.6586","0.0006","74.53","0.004","77.5","0.004","85.545","0.003","942.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tenoxicam dimethylformamide solvate","","","- C16 H18 N4 O5 S2 -","- C16 H18 N4 O5 S2 -","- C32 H36 N8 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0585","0.0427","","","0.111","0.1227","","","","","","1.04","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233212","13.579","0.003","10.135","0.002","14.88","0.003","90","","116.58","0.03","90","","1831.4","0.8","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform III solvate","","","- C14 H12 Cl3 N3 O4 S2 -","- C14 H12 Cl3 N3 O4 S2 -","- C56 H48 Cl12 N12 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0475","0.0424","","","0.108","0.1115","","","","","","1.056","","","","has coordinates","223698","2020-10-21","18:00:00",""
"7233213","10.6019","0.0012","12.781","0.001","28.841","0.002","90","","92.076","0.01","90","","3905.5","0.6","293","2","293","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform I solvate","","","- C28 H24 Cl6 N6 O8 S4 -","- C28 H24 Cl6 N6 O8 S4 -","- C112 H96 Cl24 N24 O32 S16 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.2576","0.1163","","","0.3158","0.3957","","","","","","1.034","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233223","9.6743","0.0014","40.711","0.006","20.576","0.003","90","","99.18","0.002","90","","8000","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C312 H392 Cu8 F48 N40 P8 -","8","2","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0515","0.0436","","","0.0941","0.0974","","","","","","1.084","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233224","16.29","0.02","14.23","0.02","22.83","0.03","90","","102.63","0.02","90","","5164","12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H64 Cu F6 N4 P -","- C57 H64 Cu F6 N4 P -","- C228 H256 Cu4 F24 N16 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0498","0.0392","","","0.0993","0.1066","","","","","","1.025","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233225","11.26","0.001","28.112","0.003","12.5861","0.0011","90","","92.111","0.001","90","","3981.3","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H50.5 Cu F6 N5.5 P -","- C40 H50.5 Cu F6 N5.5 P -","- C160 H202 Cu4 F24 N22 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0522","0.0403","","","0.093","0.0987","","","","","","1.064","","","","has coordinates,has disorder","217183","2020-10-21","18:00:00",""
"7233226","18.788","0.003","10.7257","0.0015","19.777","0.003","90","","105.029","0.002","90","","3849","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C156 H196 Cu4 F24 N20 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0533","0.0409","","","0.1034","0.113","","","","","","1.029","","","","has coordinates,has disorder","217183","2020-10-21","18:00:00",""
"7233227","12.683","0.011","18.454","0.016","25.59","0.02","87.913","0.015","80.698","0.014","71.923","0.014","5618","8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58.5 H68.5 Cl3 Cu F6 N4 P -","- C58.5 H68.5 Cl3 Cu F6 N4 P -","- C234 H274 Cl12 Cu4 F24 N16 P4 -","4","2","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.1067","0.0625","","","0.1655","0.1936","","","","","","1.042","","","","has coordinates,has disorder","217183","2020-10-21","18:00:00",""
"7233228","10.8441","0.001","12.6667","0.0012","18.9978","0.0018","90","","90","","90","","2609.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Cl Cu N2 -","- C27 H38 Cl Cu N2 -","- C108 H152 Cl4 Cu4 N8 -","4","0.5","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0387","0.0285","","","0.0732","0.079","","","","","","1.037","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233229","9.7826","0.001","40.521","0.004","20.629","0.002","90","","99.209","0.002","90","","8072","1.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H102 Cu2 F12 N10 P2 -","- C78 H102 Cu2 F12 N10 P2 -","- C312 H408 Cu8 F48 N40 P8 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0592","0.0449","","","0.093","0.098","","","","","","1.067","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233230","14.048","0.004","14.466","0.005","19.223","0.006","90","","92.497","0.005","90","","3903","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cu F6 N5 P -","- C39 H51 Cu F6 N5 P -","- C156 H204 Cu4 F24 N20 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.061","0.0414","","","0.1171","0.1303","","","","","","1.066","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233231","12.1982","0.0009","12.6561","0.001","17.4615","0.0013","79.068","0.005","69.577","0.004","65.464","0.004","2295","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 O9 Sc -","- C15 H10 N5 O9 Sc -","- C60 H40 N20 O36 Sc4 -","4","2","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.1226","0.0527","","","0.1202","0.1355","","","","","","0.809","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233232","8.0179","0.0005","8.1281","0.0006","10.1235","0.0008","67.896","0.004","77.329","0.005","87.356","0.004","595.89","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C14 H10 N4 O16 Sc2 -","2","1","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.0371","0.0331","","","0.0944","0.0972","","","","","","1.072","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233233","14.5354","0.0008","6.9178","0.0004","15.7237","0.0008","90","","96.902","0.005","90","","1569.61","0.15","150","10","150","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F2 N4 O7 -","- C15 H12 F2 N4 O7 -","- C60 H48 F8 N16 O28 -","4","0.5","","Dai, Xia-Lin; Voronin, Alexander P.; Gao, Wei; Perlovich, German L.; Lu, Tong-Bu; Chen, Jia-Mei","Intermolecular interactions and permeability of 5-fluorouracil cocrystals with a series of isomeric hydroxybenzoic acids: a combined theoretical and experimental study","CrystEngComm","2019","21","34","5095","","10.1039/C9CE00661C","","x-ray","1.54184","CuKα","","0.0763","0.0592","","","0.1594","0.1806","","","","","","0.903","","","","has coordinates,has disorder","223719","2020-10-21","18:00:00",""
"7233234","17.9538","0.0002","13.0669","0.0002","21.0038","0.0003","90","","96.8682","0.0013","90","","4892.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C228 H192 N24 O24 -","12","3","","Kong, Yanyan; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","An electrochemical off‒on method for pyrimidin-2(1H)-one synthesis via three-component cyclization","Green Chemistry","2019","21","16","4495","","10.1039/C9GC02005E","","x-ray","1.54184","CuKα","","0.0729","0.0511","","","0.1457","0.166","","","","","","1.033","","","","has coordinates","224613","2020-10-21","18:00:00",""
"7233235","11.244","0.003","12.415","0.003","32.461","0.009","90","","92.071","0.005","90","","4528","2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Pembere, Anthony M.; Cui, Chaonan; Anumula, Rajini; Wu, Huiming; An, Pan; Liang, Tongling; Luo, Zhixun","A Hexagonal Ni6 Cluster Protected by 2-Phenylethanethiol for Catalytic Conversion of Toluene to Benzaldehyde","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP02964H","","","0.71073","MoKα","","0.0572","0.0498","","","0.0836","0.0872","","","","","","1.126","","","","has coordinates","217214","2020-10-21","18:00:00",""
"7233236","15.001","0.002","5.5536","0.0005","21.455","0.003","90","","95.23","0.002","90","","1780","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1321","0.0562","","","0.148","0.1973","","","","","","1.014","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233237","15.6883","0.0018","11.7144","0.0012","17.777","0.0018","90","","109.199","0.003","90","","3085.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1708","0.1084","","","0.2562","0.317","","","","","","1.085","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233238","16.0435","0.0014","11.6969","0.0008","18.498","0.0015","90","","113.454","0.002","90","","3184.5","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd N2 O6 -","- C30 H25 Cd N2 O6 -","- C120 H100 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0561","0.0414","","","0.075","0.0789","","","","","","1.198","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233239","14.5475","0.0006","28.4089","0.0012","6.1616","0.0003","90","","90","","90","","2546.46","0.19","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0215","0.0204","","","0.0485","0.0491","","","","","","1.094","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233240","9.2536","0.0005","7.6512","0.0003","12.6769","0.0007","90","","108.093","0.002","90","","853.16","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0539","0.0451","","","0.0756","0.0773","","","","","","1.719","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233241","9.2808","0.0005","7.6511","0.0003","12.6946","0.0006","90","","108.142","0.002","90","","856.61","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0448","0.0385","","","0.1128","0.1167","","","","","","1.029","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233242","14.5483","0.0005","28.4278","0.0012","6.166","0.0002","90","","90","","90","","2550.11","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0309","0.0245","","","0.0559","0.0589","","","","","","0.971","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233243","10.5096","0.0006","10.9768","0.0004","12.5019","0.0006","104.759","0.004","107.34","0.005","97.38","0.004","1298.23","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0349","0.033","","","0.0938","0.0948","","","","","","1.1","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233244","10.4937","0.0006","10.9559","0.0004","12.5321","0.0006","104.652","0.004","107.923","0.004","97.114","0.004","1294.06","0.12","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0311","0.0295","","","0.0857","0.0866","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233245","10.5194","0.0006","10.9889","0.0004","12.5734","0.0006","104.589","0.004","108.172","0.005","96.992","0.004","1304.34","0.12","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0291","0.0276","","","0.0785","0.0792","","","","","","1.051","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233246","10.5156","0.0006","10.9858","0.0004","12.529","0.0006","104.707","0.004","107.578","0.005","97.265","0.004","1301.8","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0327","0.0309","","","0.0886","0.0896","","","","","","1.11","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233247","10.5121","0.0006","10.9835","0.0005","12.6782","0.0005","104.175","0.004","109.639","0.004","96.452","0.004","1305.96","0.12","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.028","0.0267","","","0.0735","0.0743","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233248","10.519","0.0006","10.9933","0.0005","12.6565","0.0005","104.317","0.004","109.262","0.004","96.536","0.004","1307.83","0.12","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0325","0.0313","","","0.0836","0.0846","","","","","","1.048","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233249","10.5964","0.001","11.0355","0.0007","12.9523","0.0013","102.131","0.007","112.002","0.009","97.133","0.006","1338.1","0.2","340","","340","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.045","0.0416","","","0.111","0.1132","","","","","","1.061","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233250","10.5333","0.0006","11.0035","0.0005","12.7511","0.0005","103.784","0.005","110.271","0.004","96.437","0.004","1315.34","0.12","280","","280","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0272","0.0259","","","0.0693","0.0698","","","","","","1.076","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233251","10.5256","0.0006","10.9947","0.0005","12.6032","0.0006","104.523","0.004","108.54","0.005","96.829","0.004","1306.91","0.13","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0444","0.043","","","0.1147","0.116","","","","","","0.999","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233252","10.5371","0.0006","11.0161","0.0005","12.7345","0.0005","104.005","0.005","109.918","0.004","96.448","0.004","1317.37","0.12","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0262","0.0249","","","0.07","0.0706","","","","","","1.081","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233253","10.5213","0.0005","10.9954","0.0005","12.6323","0.0005","104.438","0.004","108.872","0.004","96.664","0.004","1307.93","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.03","0.0288","","","0.0784","0.0792","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233254","10.5861","0.0008","11.0497","0.0006","12.8741","0.001","103.021","0.006","111.135","0.007","96.698","0.005","1335.67","0.19","320","","320","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0346","0.0324","","","0.0922","0.0937","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233255","10.5445","0.0007","11.0141","0.0006","12.786","0.0008","103.484","0.005","110.657","0.006","96.519","0.005","1319.52","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0303","0.0285","","","0.0774","0.0784","","","","","","1.084","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233256","10.6786","0.0015","11.0643","0.0014","13.078","0.003","98.788","0.014","113.593","0.018","99.692","0.011","1353.7","0.5","380","","380","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O11 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.1373","0.1222","","","0.2995","0.315","","","","","","1.189","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233257","10.661","0.0013","11.0866","0.0011","13.1016","0.0015","100.439","0.01","112.923","0.012","98.339","0.009","1362.3","0.3","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C19.01 H22.36 N2.34 O11.34 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.113","0.0996","","","0.2571","0.2788","","","","","","1.101","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233258","20.82","0.11","12.78","0.06","17.52","0.09","90","","98.8","0.04","90","","4607","4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 N O8 -","- C20 H25 N O8 -","- C160 H200 N8 O64 -","8","1","","Okawara, Toru; Matsufuji, Yurina; Mizuno, Kouhei; Takehara, Kenji; Nagamura, Toshihiko; Iwasa, Seiji","Vinylpyrroles: solid-state structures and aggregation-induced emission properties","RSC Advances","2019","9","40","22817","","10.1039/C9RA04088A","","","0.71073","MoKα","","0.1107","0.0767","","","0.1876","0.2312","","","","","","1.0483","","","","has coordinates","217236","2020-10-21","18:00:00",""
"7233259","17.799","0.002","5.2201","0.0007","21.974","0.003","90","","101.833","0.013","90","","1998.3","0.5","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O7 -","- C20 H25 N3 O7 -","- C80 H100 N12 O28 -","4","1","","Okawara, Toru; Matsufuji, Yurina; Mizuno, Kouhei; Takehara, Kenji; Nagamura, Toshihiko; Iwasa, Seiji","Vinylpyrroles: solid-state structures and aggregation-induced emission properties","RSC Advances","2019","9","40","22817","","10.1039/C9RA04088A","","x-ray","0.71073","MoKα","","0.1443","0.0888","","","0.2163","0.2756","","","","","","1.1119","","","","has coordinates","217236","2020-10-21","18:00:00",""
"7233260","6.206","0.005","7.228","0.005","11.882","0.005","93.919","0.005","98.389","0.005","108.883","0.005","495.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 N12 O8 P0 S2 -","- C8 H20 N12 O8 S2 -","- C8 H20 N12 O8 S2 -","1","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0578","0.0471","","","0.1399","0.1483","","","","","","1.068","","","","has coordinates","288504","2023-12-22","13:56:47",""
"7233261","5.688","0.005","8.922","0.005","11.235","0.005","90","0.005","91.065","0.005","90","0.005","570.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N2 O6 S2 -","- C6 H14 N2 O6 S2 -","- C12 H28 N4 O12 S4 -","2","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid‒base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0555","0.0473","","","0.1234","0.1301","","","","","","1.147","","","","has coordinates","223532","2020-10-21","18:00:00",""
"7233262","9.8904","0.0002","22.5488","0.0005","20.4885","0.0004","90","","95.634","0.007","90","","4547.2","0.17","90","2","89.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(aqua)Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C32 H60 Er N14 O9 W -","- C32 H60 Er N14 O9 W -","- C128 H240 Er4 N56 O36 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0764","0.0529","","","0.0975","0.105","","","","","","1.069","","","","has coordinates","223568","2020-10-21","18:00:00",""
"7233263","9.614","0.0008","18.1609","0.0012","25.5697","0.0018","90","","98.033","0.007","90","","4420.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)Tetrakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C28 H51.5 Er N13 O11 W -","- C28 H51.5 Er N13 O11 W -","- C112 H206 Er4 N52 O44 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0924","0.0498","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233264","9.7633","0.0004","19.5696","0.0008","10.411","0.0005","90","","109.168","0.008","90","","1878.89","0.17","90","2","89.95","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V)","","- C28 H45 Er N13 O5 W -","- C28 H45 Er N13 O5 W -","- C56 H90 Er2 N26 O10 W2 -","2","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.037","0.0338","","","0.0529","0.0536","","","","","","1.101","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233265","6.9129","0.0009","7.248","0.0009","14.7369","0.0019","76.471","0.005","81.089","0.005","64.077","0.005","644.49","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0703","0.0418","","","0.0966","0.1113","","","","","","1.007","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233266","5.9287","0.0004","7.2856","0.0005","14.804","0.0009","97.067","0.002","95.028","0.002","112.098","0.002","581.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0409","0.0324","","","0.0766","0.0811","","","","","","1.034","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233267","12.2519","0.0004","7.2378","0.0003","13.8051","0.0005","90","","112.02","0.001","90","","1134.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl4 F4 N4 -","- C22 H10 Cl4 F4 N4 -","- C44 H20 Cl8 F8 N8 -","2","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0356","0.031","","","0.0875","0.0922","","","","","","1.064","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233268","5.9278","0.0009","7.2851","0.0011","15.889","0.003","97.953","0.005","97.431","0.005","111.124","0.004","621.86","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0638","0.039","","","0.0812","0.0903","","","","","","1.007","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233269","9.4437","0.0018","12.112","0.002","12.277","0.002","89.884","0.006","79.464","0.007","68.789","0.006","1283.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0415","0.0307","","","0.0756","0.0796","","","","","","1.013","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233270","9.2538","0.0019","12.411","0.003","12.462","0.003","90.28","0.007","100.334","0.007","110.73","0.006","1313.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0545","0.0433","","","0.1049","0.1131","","","","","","1.043","","","","has coordinates,has disorder","223528","2020-10-21","18:00:00",""
"7233271","12.6345","0.0012","12.9723","0.0014","16.388","0.0017","75.775","0.003","85.999","0.003","75.114","0.002","2516.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H46 N2 O12 Zn2 -","- C57 H46 N2 O12 Zn2 -","- C114 H92 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0943","0.0553","","","0.1193","0.1346","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233272","12.9","0.009","17.379","0.012","19.453","0.013","107.447","0.009","107.199","0.01","98.981","0.009","3828","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N2 O12 Zn2 -","- C64 H48 N2 O12 Zn2 -","- C128 H96 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.1206","0.0587","","","0.1614","0.2","","","","","","0.879","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233273","8.831","0.002","12.567","0.003","13.429","0.003","94.747","0.008","100.867","0.008","109.277","0.007","1364.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 N2.5 O6 Zn -","- C29 H22.5 N2.5 O6 Zn -","- C58 H45 N5 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.086","0.0514","","","0.1289","0.1484","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233274","9.0045","0.001","12.3297","0.0015","12.9229","0.0014","93.075","0.004","108.765","0.003","99.295","0.004","1332","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23.5 N1.5 O6 Zn -","- C31 H23.5 N1.5 O6 Zn -","- C62 H47 N3 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0521","0.0409","","","0.1094","0.1166","","","","","","1.077","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233275","17.3785","0.0005","15.1256","0.0004","22.8088","0.0006","90","","90","","90","","5995.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cu2 N5 O13 -","- C24 H33 Cu2 N5 O13 -","- C192 H264 Cu16 N40 O104 -","8","1","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0572","0.0373","","","0.0922","0.1117","","","","","","1.116","","","","has coordinates,has disorder","223704","2020-10-21","18:00:00",""
"7233276","7.4296","0.0002","8.7967","0.0003","10.0511","0.0003","105.965","0.001","95.073","0.001","109.261","0.001","584.48","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","1","0.5","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0315","0.0275","","","0.0646","0.0672","","","","","","1.0715","","","","has coordinates","223704","2020-10-21","18:00:00",""
"7233277","21.8547","0.0008","22.2502","0.0009","20.4982","0.0014","90","","90","","90","","9967.7","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C93 H144 Cl8 O10 -","- C93 H144 Cl8 O10 -","- C372 H576 Cl32 O40 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Synthesis, functionalization, and isolation of planar-chiral pillar[5]arenes with bulky substituents using a chiral derivatization agent","RSC Advances","2019","9","40","23295","","10.1039/C9RA03135A","","","0.71075","MoKα","","0.1201","0.0767","","","0.2172","0.2499","","","","","","1.05","","","","has coordinates,has disorder","217280","2020-10-21","18:00:00",""
"7233278","10.186","0.002","7.5771","0.0015","38.191","0.008","90","","90","","90","","2947.6","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C136 H160 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0691","0.0583","","","0.1389","0.1464","","","","","","1.083","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233279","7.536","0.0015","8.1498","0.0016","28.44","0.006","90","","94.9","0.03","90","","1740.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0732","0.0604","","","0.1486","0.16","","","","","","1.043","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233280","10.827","0.002","7.5021","0.0015","21.322","0.004","90","","97.39","0.03","90","","1717.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.044","0.0372","","","0.0945","0.0991","","","","","","1.06","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233281","10.303","0.002","7.6173","0.0015","38.517","0.008","90","","90","","90","","3022.9","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl2 N4 O4 -","- C32 H34 Cl2 N4 O4 -","- C128 H136 Cl8 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0771","0.0634","","","0.1529","0.1634","","","","","","1.089","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233282","10.9488","0.0012","18.0795","0.0017","19.0595","0.0018","90","","106.326","0.008","90","","3620.7","0.6","90","2","90","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Dimethoxy-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium(III) 4,4-azopyridine","","- C31 H24 F9 N2 Nd O8 S3 -","- C31 H24 F9 N2 Nd O8 S3 -","- C124 H96 F36 N8 Nd4 O32 S12 -","4","1","","Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi","Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission","RSC Advances","2019","9","41","23444","","10.1039/C9RA03276B","","","0.71075","MoKα","","0.0746","0.0698","","","0.1089","0.1101","","","","","","1.483","","","","has coordinates,has disorder","217304","2020-10-21","18:00:00",""
"7233283","10.2196","0.0003","12.3454","0.0005","13.2336","0.0005","79.269","0.006","84.424","0.006","81.211","0.006","1617.09","0.11","296","2","296","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","4-pyridinol-aqua-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium","","- C29 H18 F9 N Nd O8 S3 -","- C29 H18 F9 N Nd O8 S3 -","- C58 H36 F18 N2 Nd2 O16 S6 -","2","1","","Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi","Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission","RSC Advances","2019","9","41","23444","","10.1039/C9RA03276B","","","0.71075","MoKα","","0.0402","0.0326","","","0.0742","0.0765","","","","","","1.076","","","","has coordinates,has disorder","217304","2020-10-21","18:00:00",""
"7233284","10.8784","0.0004","18.8797","0.0008","19.2659","0.0007","90","","105.874","0.008","90","","3806","0.3","340","2","340","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Dimethoxy-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium(III) 4,4-Azopyridine","","- C31 H24 F9 N2 Nd O8 S3 -","- C31 H24 F9 N2 Nd O8 S3 -","- C124 H96 F36 N8 Nd4 O32 S12 -","4","1","","Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi","Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission","RSC Advances","2019","9","41","23444","","10.1039/C9RA03276B","","","0.71075","MoKα","","0.1185","0.0849","","","0.1313","0.1423","","","","","","1.172","","","","has coordinates,has disorder","217304","2020-10-21","18:00:00",""
"7233285","5.8707","0.0004","14.3113","0.0011","19.7441","0.0015","90","","90.736","0.005","90","","1658.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Akbar, Sikkandarkani; Tamilarasan, V. John; Srinivasan, Kannupal","Iodine-mediated synthesis of benzo[a]fluorenones from yne-enones","RSC Advances","2019","9","41","23652","","10.1039/C9RA02376C","","","0.71073","MoKα","","0.116","0.0593","","","0.1511","0.1907","","","","","","1.011","","","","has coordinates","217319","2020-10-21","18:00:00",""
"7233286","12.8146","0.001","20.5355","0.0017","13.4451","0.0011","90","","98.225","0.001","90","","3501.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N8 S2 Zn -","- C40 H28 N8 S2 Zn -","- C160 H112 N32 S8 Zn4 -","4","1","","Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.","Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes ‒ experimental and theoretical investigations","RSC Advances","2019","9","41","23764","","10.1039/C9RA05276C","","","0.71073","MoKα","","0.0363","0.0258","","","0.0552","0.0588","","","","","","1.026","","","","has coordinates","217343","2020-10-21","18:00:00",""
"7233287","13.3235","0.0009","15.6906","0.001","18.688","0.0013","65.795","0.002","71.872","0.002","77.01","0.002","3365.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H48 N18 O S6 Zn3 -","- C63 H48 N18 O S6 Zn3 -","- C126 H96 N36 O2 S12 Zn6 -","2","1","","Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.","Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes ‒ experimental and theoretical investigations","RSC Advances","2019","9","41","23764","","10.1039/C9RA05276C","","","0.71073","MoKα","","0.1102","0.0549","","","0.1421","0.1712","","","","","","1.024","","","","has coordinates,has disorder","217343","2020-10-21","18:00:00",""
"7233288","11.836","0.004","14.385","0.004","14.807","0.004","68.045","0.003","83.861","0.003","78.264","0.003","2288","1.2","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl3 N9 O4 Zn2 -","- C42 H44 Cl3 N9 O4 Zn2 -","- C84 H88 Cl6 N18 O8 Zn4 -","2","1","","Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.","Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes ‒ experimental and theoretical investigations","RSC Advances","2019","9","41","23764","","10.1039/C9RA05276C","","","0.71073","MoKα","","0.0648","0.0483","","","0.1292","0.1386","","","","","","1.086","","","","has coordinates","217343","2020-10-21","18:00:00",""
"7233289","7.0827","0.0003","18.8755","0.0005","19.6605","0.0006","90","","90","","90","","2628.4","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N4 S2 -","- C14 H6 N4 S2 -","- C112 H48 N32 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0585","0.0431","","","0.0987","0.1053","","","","","","1.054","","","","has coordinates,has disorder","217344","2020-10-21","18:00:00",""
"7233290","16.8041","0.0005","8.14","0.0003","23.1477","0.0009","90","","90","","90","","3166.27","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N4 O2 S2 -","- C16 H10 N4 O2 S2 -","- C128 H80 N32 O16 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0532","0.036","","","0.0927","0.1012","","","","","","1.092","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233291","9.3323","0.0007","14.8768","0.0011","6.3126","0.0005","90","","90","","90","","876.41","0.12","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","0.5","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0606","0.0431","","","0.1016","0.1093","","","","","","1.073","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233292","3.7497","0.0005","14.1534","0.0017","10.3386","0.0013","90","","97.855","0.004","90","","543.53","0.12","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H6 N6 -","- C11 H6 N6 -","- C22 H12 N12 -","2","0.5","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0841","0.0644","","","0.1462","0.153","","","","","","1.197","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233293","8.7934","0.0012","12.8464","0.0014","16.339","0.002","90","","101.394","0.005","90","","1809.3","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 N2 O S2 -","- C8 H5 N2 O S2 -","- C64 H40 N16 O8 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0592","0.0468","","","0.1211","0.1302","","","","","","1.073","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233294","7.7164","0.0007","9.6706","0.0009","11.0779","0.0011","68.296","0.001","83.965","0.003","85.654","0.003","763.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O8 Zn -","- C14 H14 N2 O8 Zn -","- C28 H28 N4 O16 Zn2 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","1.54178","CuKα","","0.0873","0.0576","","","0.1233","0.1446","","","","","","1.007","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233295","7.464","0.0007","10.1801","0.0009","13.3769","0.0011","70.626","0.001","77.55","0.003","74.234","0.001","913.95","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cd N2 O11 -","- C14 H20 Cd N2 O11 -","- C28 H40 Cd2 N4 O22 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","0.71073","MoKα","","0.1405","0.1106","","","0.2684","0.2841","","","","","","1.088","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233296","17.903","0.003","16.7851","0.0016","21.149","0.002","90","","96.467","0.004","90","","6314.9","1.4","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C49 H25 Gd N4 O10 Zn -","- C49 H25 Gd N4 O10 Zn -","- C196 H100 Gd4 N16 O40 Zn4 -","4","1","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Goswami, Soumyabrata; Phukan, Nithi","Location controlled symmetry reduction: paradigm of an open metalloporphyrin framework based on the tetracarboxy porphyrin linker","CrystEngComm","2019","21","35","5216","","10.1039/C9CE01107B","","","0.71073","MoKα","","0.1528","0.0892","","","0.2385","0.2851","","","","","","1.061","","","","has coordinates","223702","2020-10-21","18:00:00",""
"7233297","12.4174","0.0002","18.7937","0.0004","18.6491","0.0004","90","","90.148","0.003","90","","4352.11","0.15","295","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C92 H96 N24 -","- C92 H96 N24 -","- C184 H192 N48 -","2","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.0945","0.0634","","","0.1875","0.2027","","","","","","0.963","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233298","7.85","0.01","16.3","0.01","27.56","0.01","90","","91.9","0.01","90","","3525","5","293","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N12 -","- C38 H32 N12 -","- C152 H128 N48 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.3751","0.0714","","","0.1424","0.2477","","","","","","0.624","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233299","6.1192","0.0006","17.6034","0.0005","18.3391","0.0006","90","","90","","90","","1975.5","0.2","293","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N6 -","- C21 H16 N6 -","- C84 H64 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1358","0.0781","","","0.2019","0.2643","","","","","","1.028","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233300","7.8491","0.0003","18.6184","0.0005","15.9194","0.0005","90","","99.823","0.003","90","","2292.32","0.13","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C100 H112 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1314","0.094","","","0.2666","0.2969","","","","","","1.085","","","","has coordinates,has disorder","223697","2020-10-21","18:00:00",""
"7233301","5.2981","0.0003","11.751","0.0006","13.3334","0.0006","90","","90","","90","","830.11","0.07","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0686","0.0457","","","0.0928","0.1023","","","","","","1.072","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233302","8.0209","0.0003","21.4464","0.0006","11.1543","0.0003","90","","98.181","0.001","90","","1899.23","0.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu N10 O6 -","- C44 H32 Cu N10 O6 -","- C88 H64 Cu2 N20 O12 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0627","0.0447","","","0.0932","0.0995","","","","","","1.075","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233303","8.7934","0.0011","14.5059","0.0017","12.1149","0.0014","90","","105.893","0.004","90","","1486.3","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N3 Zn -","- C16 H11 Cl2 N3 Zn -","- C64 H44 Cl8 N12 Zn4 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.08","0.0476","","","0.1018","0.1149","","","","","","1.032","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233304","11.9823","0.0004","13.3952","0.0005","21.6046","0.0008","90","","92.769","0.001","90","","3463.6","0.2","150","2","149.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C192 H132 N36 -","12","3","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.098","0.0533","","","0.1178","0.141","","","","","","1.024","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233305","7.8817","0.0004","8.3565","0.0004","13.6764","0.0007","84.043","0.002","89.244","0.002","63.942","0.001","804.31","0.07","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cu N5 O6 -","- C16 H11 Cu N5 O6 -","- C32 H22 Cu2 N10 O12 -","2","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0378","0.0285","","","0.0631","0.0666","","","","","","1.055","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233306","27.835","0.004","5.1802","0.0007","6.7211","0.0009","90","","95.439","0.003","90","","964.8","0.2","150","2","150.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H16 Cl2 N4 Zn -","- C22 H16 Cl2 N4 Zn -","- C44 H32 Cl4 N8 Zn2 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0382","0.0317","","","0.0632","0.0654","","","","","","0.96","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233307","17.49","0.0003","21.7156","0.0003","16.5786","0.0003","90","","90","","90","","6296.65","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H24 In N O7 -","- C31 H24 In N O7 -","- C248 H192 In8 N8 O56 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0672","0.0604","","","0.1744","0.1817","","","","","","1.097","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233308","17.5673","0.0003","25.7031","0.0005","24.4991","0.0004","90","","91.155","0.001","90","","11059.9","0.3","173","2","173","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C28 H15 In O8 -","- C28 H15 In O8 -","- C224 H120 In8 O64 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0681","0.0641","","","0.181","0.1874","","","","","","1.006","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233309","9.0282","0.0002","15.3282","0.0003","26.6329","0.0005","90.906","0.002","91.479","0.002","98.927","0.002","3639.03","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 In2 N2 O16 -","- C66 H38 In2 N2 O16 -","- C132 H76 In4 N4 O32 -","2","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","0.71073","MoKα","","0.0975","0.0907","","","0.2171","0.2203","","","","","","1.181","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233310","8.5776","0.0001","26.9064","0.0005","15.5158","0.0002","90","","91.233","0.001","90","","3580.1","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 In N2 O8 -","- C31 H25 In N2 O8 -","- C124 H100 In4 N8 O32 -","4","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0368","0.0346","","","0.1007","0.1022","","","","","","1.075","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233311","7.9403","0.0007","17.1323","0.0014","14.1867","0.0012","90","","103.315","0.003","90","","1878","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O3 Se -","- C23 H16 O3 Se -","- C92 H64 O12 Se4 -","4","1","","Hua, Jiawei; Fang, Zheng; Xu, Jia; Bian, Mixue; Liu, ChengKou; He, Wei; Zhu, Ning; Yang, Zhao; Guo, Kai","Electrochemical oxidative cyclization of activated alkynes with diselenides or disulfides: access to functionalized coumarins or quinolinones","Green Chemistry","2019","21","17","4706","","10.1039/C9GC02131K","","","1.34139","GaKα","","0.0406","0.0383","","","0.1009","0.102","","","","","","1.173","","","","has coordinates","224607","2020-10-21","18:00:00",""
"7233312","12.956","0.005","21.353","0.008","13.256","0.005","90","","110.133","0.016","90","","3443","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Cl N3 O Os P2 -","- C39 H30 Cl N3 O Os P2 -","- C156 H120 Cl4 N12 O4 Os4 P8 -","4","1","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03416A","","","0.71073","MoKα","","0.0496","0.0292","","","0.0496","0.055","","","","","","1.034","","","","has coordinates","217365","2020-10-21","18:00:00",""
"7233313","23.138","0.003","23.138","0.003","26.906","0.003","90","","90","","90","","14405","3","150","2","150","2","","","","","","","","7","I 41","I 4bw","80","","","","- C40.5 H36 Cl N3 O1.5 Os P2 -","- C40.5 H36 Cl N3 O1.5 Os P2 -","- C648 H576 Cl16 N48 O24 Os16 P32 -","16","2","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03416A","","","0.71073","MoKα","","0.1299","0.0591","","","0.0695","0.0833","","","","","","1.019","","","","has coordinates,has disorder","217365","2020-10-21","18:00:00",""
"7233314","18.17","0.004","11.651","0.002","16.431","0.003","90","","101.198","0.007","90","","3412.2","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Cl N3 O2 Os P2 -","- C39 H32 Cl N3 O2 Os P2 -","- C156 H128 Cl4 N12 O8 Os4 P8 -","4","1","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03416A","","","0.71073","MoKα","","0.1211","0.0731","","","0.1271","0.1451","","","","","","1.051","","","","has coordinates","217365","2020-10-21","18:00:00",""
"7233315","16.5074","0.0005","16.5074","0.0005","36.8034","0.0014","90","","90","","90","","10028.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C49 H65 N3 O14 -","- C49 H65 N3 O14 -","- C392 H520 N24 O112 -","8","1","","Grepioni, F.; Braga, D.; Chelazzi, L.; Shemchuk, O.; Maffei, P.; Sforzini, A.; Viscomi, G. C.","Improving solubility and storage stability of rifaximin via solid-state solvation with Transcutol®","CrystEngComm","2019","21","35","5278","","10.1039/C9CE00567F","","","0.71073","MoKα","","0.2188","0.0907","","","0.1148","0.1481","","","","","","1.069","","","","has coordinates","223705","2020-10-21","18:00:00",""
"7233316","13.1393","0.0001","14.656","0.0001","15.4768","0.0001","110.23","0.001","91.262","0.001","108.149","0.001","2629.1","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H49 Cl3 N4 O2 -","- C61 H49 Cl3 N4 O2 -","- C122 H98 Cl6 N8 O4 -","2","1","","Singh, Anoop; Vanaparthi, Satheeshvarma; Choudhary, Sachin; Krishnan, Rangan; Kumar, Indresh","Synthesis of C2-tetrasubstituted indolin-3-ones via Cu-catalyzed oxidative dimerization of 2-aryl indoles and cross-addition with indoles","RSC Advances","2019","9","42","24050","","10.1039/C9RA04741G","","x-ray","1.54184","CuKα","","0.0645","0.0623","","","0.1847","0.1867","","","","","","1.069","","","","has coordinates","217377","2020-10-21","18:00:00",""
"7233317","10.6198","0.0007","21.4213","0.0014","15.6347","0.0012","90","","94.833","0.006","90","","3544.1","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H82 Cu4 N6 O21 -","- C71 H82 Cu4 N6 O21 -","- C142 H164 Cu8 N12 O42 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Zarschler, Kristof; Stephan, Holger; Anson, Christopher E.; Powell, Annie K.","Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity","RSC Advances","2019","9","42","24087","","10.1039/C9RA03586A","","","0.71069","MoKα","","0.0648","0.038","","","0.0829","0.0936","","","","","","0.938","","","","has coordinates,has disorder","217378","2020-10-21","18:00:00",""
"7233318","10.583","","21.529","","15.571","","90","","94.7","","90","","3535.79","","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70.7 H80.8 Cu4 N6 O21 -","- C70.7 H80.8 Cu4 N6 O21 -","- C141.4 H161.6 Cu8 N12 O42 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Zarschler, Kristof; Stephan, Holger; Anson, Christopher E.; Powell, Annie K.","Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity","RSC Advances","2019","9","42","24087","","10.1039/C9RA03586A","","","0.71359","","","0.0624","0.0431","","","0.1067","0.12","","","","","","0.977","","","","has coordinates,has disorder","217378","2020-10-21","18:00:00",""
"7233319","14.633","0.005","14.936","0.005","8.352","0.003","90","","104.445","0.005","90","","1767.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C68 H60 N12 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0645","0.0379","","","0.0862","0.0976","","","","","","1.008","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233320","11.4324","0.0016","11.544","0.003","11.2605","0.0016","90","","90.022","0.002","90","","1486.1","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 Ni O10 -","- C28 H22 N4 Ni O10 -","- C56 H44 N8 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0998","0.0551","","","0.1351","0.1602","","","","","","1.029","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233321","8.2076","0.0007","10.393","0.0009","10.7793","0.0009","89.31","0.001","68.817","0.001","79.981","0.001","842.99","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","1","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0392","0.0363","","","0.0957","0.0983","","","","","","1.03","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233322","11.8498","0.0005","23.5626","0.001","9.8007","0.0004","90","","113.262","0.001","90","","2514.02","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N8 Ni O8 -","- C54 H44 Cl2 N8 Ni O8 -","- C108 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0595","0.0418","","","0.0981","0.107","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233323","17.734","0.0007","11.1559","0.0007","14.5549","0.0008","90","","104.509","0.002","90","","2787.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H25 N5 Ni O10 -","- C28 H25 N5 Ni O10 -","- C112 H100 N20 Ni4 O40 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0461","0.0376","","","0.0838","0.0884","","","","","","1.031","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233324","19.736","0.002","8.6412","0.0009","17.026","0.0017","90","","113.939","0.002","90","","2653.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 Ni O7 -","- C29 H26 N4 Ni O7 -","- C116 H104 N16 Ni4 O28 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.126","0.0553","","","0.0988","0.1235","","","","","","1.015","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233325","11.6915","0.0004","23.6757","0.0008","10.0123","0.0004","90","","109.32","0.001","90","","2615.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 N8 Ni O10 -","- C56 H50 N8 Ni O10 -","- C112 H100 N16 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.049","0.0389","","","0.0927","0.1018","","","","","","1.053","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233326","11.812","0.0005","12.7047","0.0005","11.6302","0.0005","90","","115.925","0.001","90","","1569.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 Ni O12 -","- C28 H36 N4 Ni O12 -","- C56 H72 N8 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.041","0.0342","","","0.1009","0.106","","","","","","1.003","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233327","10.296","0.002","13.49","0.003","22.862","0.004","90","","98.471","0.005","90","","3140.7","1.1","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 Ni O8 -","- C34 H26 N4 Ni O8 -","- C136 H104 N16 Ni4 O32 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1055","0.0543","","","0.1179","0.1387","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233328","7.9733","0.0007","13.0731","0.001","15.2385","0.0013","96.988","0.002","96.414","0.002","104.434","0.002","1510.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N5 Ni O12 -","- C28 H29 N5 Ni O12 -","- C56 H58 N10 Ni2 O24 -","2","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1082","0.0545","","","0.1078","0.1314","","","","","","1.001","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233329","12.803","0.009","4.63","0.003","13.233","0.009","90","","109.94","0.02","90","","737.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.048","0.0296","","","0.0612","0.0674","","","","","","1.028","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233330","8.2382","0.0014","8.6956","0.0014","11.674","0.002","83.844","0.006","70.803","0.005","79.456","0.005","775.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C28 H24 Cl8 O4 -","4","2","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0809","0.0585","","","0.1404","0.1599","","","","","","1.023","","","","has coordinates","223706","2020-10-21","18:00:00",""
"7233331","7.182","0.004","14.93","0.009","15.398","0.009","107.741","0.018","97.263","0.018","100.108","0.019","1519.4","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C56 H48 Cl16 O8 -","8","4","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0777","0.048","","","0.1215","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233332","7.0731","0.0017","7.5134","0.0019","21.137","0.005","92.27","0.006","94.494","0.007","94.926","0.007","1114.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C42 H36 Cl12 O6 -","6","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0942","0.0513","","","0.1019","0.1206","","","","","","1.038","","","","has coordinates","223706","2020-10-21","18:00:00",""
"7233333","6.0322","0.0003","16.5564","0.001","22.5967","0.0009","90","","90","","90","","2256.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 I O -","- C7 H6 I O -","- C84 H72 I12 O12 -","12","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0351","0.0284","","","0.0663","0.0701","","","","","","1.046","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233334","4.2512","0.0009","14.458","0.003","13.5","0.003","90","","97.411","0.008","90","","822.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br2 O -","- C7 H6 Br2 O -","- C28 H24 Br8 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0703","0.0369","","","0.0711","0.0817","","","","","","1.051","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233335","8.3294","0.0006","9.6074","0.0007","16.413","0.0011","86.861","0.005","84.758","0.005","74.072","0.006","1257.12","0.16","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0627","0.0544","","","0.1522","0.1694","","","","","","0.787","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233336","18.5349","0.0008","8.8497","0.0003","14.3748","0.0005","90","","91.092","0.004","90","","2357.45","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0608","0.0546","","","0.1562","0.1648","","","","","","0.817","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233337","14.6108","0.0006","17.6065","0.0009","31.2383","0.0016","90","","97.693","0.002","90","","7963.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Dy4 N15 O20.5 -","- C70 H75 Dy4 N13 O20 -","- C280 H300 Dy16 N52 O80 -","4","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1191","0.0655","","","0.1026","0.1135","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233338","57.391","0.003","13.9533","0.0006","24.8627","0.001","90","","115.263","0.001","90","","18005.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H93 Cl4 Dy2 Fe4 N16 O21.5 -","- C69 H71 Cl4 Dy2 Fe4 N11 O18 -","- C552 H568 Cl32 Dy16 Fe32 N88 O144 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1204","0.0695","","","0.1332","0.1492","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233339","11.2387","0.0013","12.7989","0.0013","13.7827","0.0012","88.854","0.008","81.032","0.008","72.201","0.01","1863.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 La N3 O5 S3 -","- C43 H34 La N3 O5 S3 -","- C86 H68 La2 N6 O10 S6 -","2","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.0909","0.0515","","","0.0969","0.1104","","","","","","1.019","","","","has coordinates","217422","2020-10-21","18:00:00",""
"7233340","21.5274","0.0003","12.464","0.0002","39.1836","0.0005","90","","95.484","0.001","90","","10465.5","0.3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H49.5 Ce N6 O4.5 S3 -","- C48 H49.5 Ce N6 O4.5 S3 -","- C384 H396 Ce8 N48 O36 S24 -","8","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.077","0.0577","","","0.1658","0.1826","","","","","","1.03","","","","has coordinates,has disorder","217422","2020-10-21","18:00:00",""
"7233341","15.0364","0.0005","21.739","0.0008","25.9182","0.0009","90","","90","","90","","8472","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H39 Ce N3 O3 S6 -","- C45 H39 Ce N3 O3 S6 -","- C360 H312 Ce8 N24 O24 S48 -","8","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.0549","0.0374","","","0.0851","0.0939","","","","","","1.081","","","","has coordinates","217422","2020-10-21","18:00:00",""
"7233342","8.8604","0.0004","9.8978","0.0008","13.1171","0.0007","91.889","0.005","91.35","0.004","109.119","0.006","1085.59","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 F4 N2 O3 P -","- C21 H27 F4 N2 O3 P -","- C42 H54 F8 N4 O6 P2 -","2","1","","Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata","Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions","RSC Advances","2019","9","42","24117","","10.1039/C9RA03982A","","","0.71073","MoKα","","0.063","0.0447","","","0.0951","0.1062","","","","","","1.04","","","","has coordinates","217423","2020-10-21","18:00:00",""
"7233343","11.7691","0.0009","12.2935","0.0005","16.8735","0.0009","101.12","0.004","99.04","0.005","118.147","0.006","2023.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 F4 N2 O3 P -","- C19 H23 F4 N2 O3 P -","- C76 H92 F16 N8 O12 P4 -","4","2","","Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata","Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions","RSC Advances","2019","9","42","24117","","10.1039/C9RA03982A","","","0.71073","MoKα","","0.0798","0.0527","","","0.1145","0.1311","","","","","","1.028","","","","has coordinates","217423","2020-10-21","18:00:00",""
"7233344","10.6683","0.0003","11.9783","0.0003","20.8929","0.0006","90","","90","","90","","2669.86","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C128 H144 O16 -","4","1","","Cheng, Yuyu; Fang, Zhiqiang; Jia, Yanwen; Lu, Zhongyue; Li, Wenjun; Li, Pengfei","Organocatalytic enantioselective conjugate addition of 2-naphthols to ortho-hydroxyphenyl substituted para-quinone methides: access to unsymmetrical triarylmethanes","RSC Advances","2019","9","42","24212","","10.1039/C9RA04768A","","x-ray","1.54178","CuKα","","0.0417","0.04","","","0.0998","0.1012","","","","","","1.026","","","","has coordinates","217424","2020-10-21","18:00:00",""
"7233345","13.2777","0.0011","16.2811","0.0014","14.0218","0.0012","90","","97.395","0.001","90","","3006","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu N11 O4 Tb -","- C27 H24 Cu N11 O4 Tb -","- C108 H96 Cu4 N44 O16 Tb4 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0327","0.0273","","","0.0723","0.0751","","","","","","1.032","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233346","13.244","0.011","16.166","0.014","14.029","0.012","90","","97.826","0.014","90","","2976","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Gd N11 O4 -","- C27 H24 Cu Gd N11 O4 -","- C108 H96 Cu4 Gd4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0815","0.049","","","0.0927","0.1031","","","","","","1.025","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233347","13.2179","0.0017","16.209","0.002","13.9594","0.0018","90","","97.364","0.002","90","","2966.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Dy N11 O4 -","- C27 H24 Cu Dy N11 O4 -","- C108 H96 Cu4 Dy4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0917","","","","","","0.987","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233348","8.1484","0.0006","11.1597","0.0009","12.1161","0.0009","64.235","0.003","87.836","0.003","81.558","0.003","981.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","1","0.5","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0319","0.0263","","","0.0779","0.0895","","","","","","1.171","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233349","10.5412","0.0004","14.2159","0.0006","16.8559","0.0006","71.294","0.001","88.816","0.001","86.636","0.001","2388.35","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C88 H86 Ag4 Cl4 N14 O16 P4 -","2","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0454","0.0395","","","0.1034","0.1141","","","","","","1.106","","","","has coordinates,has disorder","223499","2020-10-21","18:00:00",""
"7233350","9.1529","0.0005","18.4467","0.001","20.8604","0.0013","90","","101.679","0.002","90","","3449.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C136 H112 Cl8 Cu8 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0308","0.0246","","","0.0726","0.0916","","","","","","1.021","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233351","9.2146","0.0004","22.3264","0.0011","20.6049","0.001","90","","102.501","0.002","90","","4138.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C144 H128 Ag8 Cl24 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0586","0.0421","","","0.1251","0.1417","","","","","","0.992","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233352","9.5899","0.001","10.0614","0.001","14.8767","0.0015","108.05","0.001","104.714","0.001","91.568","0.001","1311.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 S2 -","- C34 H24 S2 -","- C68 H48 S4 -","2","1","","Yin, Ya; Chen, Zhao; Yang, Yue; Liu, Gang; Fan, Congbin; Pu, Shouzhi","Thiophene-containing tetraphenylethene derivatives with different aggregation-induced emission (AIE) and mechanofluorochromic characteristics","RSC Advances","2019","9","42","24338","","10.1039/C9RA04611A","","","0.71073","MoKα","","0.0735","0.0589","","","0.1747","0.1912","","","","","","1.05","","","","has coordinates,has disorder","217451","2020-10-21","18:00:00",""
"7233353","9.0738","0.0019","11.139","0.002","28.078","0.006","90","","90","","90","","2837.9","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 O2 S2 -","- C36 H24 O2 S2 -","- C144 H96 O8 S8 -","4","1","","Yin, Ya; Chen, Zhao; Yang, Yue; Liu, Gang; Fan, Congbin; Pu, Shouzhi","Thiophene-containing tetraphenylethene derivatives with different aggregation-induced emission (AIE) and mechanofluorochromic characteristics","RSC Advances","2019","9","42","24338","","10.1039/C9RA04611A","","","0.71073","MoKα","","0.1181","0.0474","","","0.0756","0.0938","","","","","","0.928","","","","has coordinates","217451","2020-10-21","18:00:00",""
"7233354","10.8736","0.0011","11.2191","0.0011","12.8583","0.0013","70.525","0.009","84.72","0.008","84.754","0.008","1469.5","0.3","298","2","298","","","","","","","","","5","P -1","-P 1","2","Heptacyclic Benzo[a]phenazinone","","","- C35 H27 Br N2 O4 -","- C36 H27 Br N2 O4 -","- C72 H54 Br2 N4 O8 -","2","1","","Bakthadoss, Manickam; Srinivasan, Jayakumar; Hussain, Mir Ashiq; Sharada, Duddu S.","Two step, one-pot sequential synthesis of functionalized hybrid polyheterocyclic scaffolds via a solid state melt reaction (SSMR)","RSC Advances","2019","9","42","24314","","10.1039/C9RA02590A","","","0.71073","MoKα","","0.1292","0.0598","","","0.1384","0.1773","","","","","","1.015","","","","has coordinates","217452","2020-10-21","18:00:00",""
"7233355","12.2139","0.0007","10.5529","0.0009","19.644","0.002","90","","96.522","0.007","90","","2515.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N2 O6 -","- C31 H19 N2 O6 -","- C124 H76 N8 O24 -","4","1","","Bakthadoss, Manickam; Srinivasan, Jayakumar; Hussain, Mir Ashiq; Sharada, Duddu S.","Two step, one-pot sequential synthesis of functionalized hybrid polyheterocyclic scaffolds via a solid state melt reaction (SSMR)","RSC Advances","2019","9","42","24314","","10.1039/C9RA02590A","","","0.71073","MoKα","","0.0973","0.0578","","","0.155","0.1834","","","","","","1.051","","","","has coordinates,has disorder","217452","2020-10-21","18:00:00",""
"7233356","6.885","0.0011","13.936","0.002","24.919","0.003","90","","102.6","0.005","90","","2333.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.108","0.0853","","","0.253","0.2734","","","","","","1.007","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233357","8.9809","0.0006","7.3118","0.0005","38.083","0.003","90","","94.095","0.001","90","","2494.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0823","0.0858","","","","","","1.085","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233358","7.234","0.002","9.378","0.003","35.927","0.011","89.798","0.006","88.075","0.006","87.452","0.006","2433.5","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O9 -","- C26 H21 N5 O9 -","- C104 H84 N20 O36 -","4","2","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1169","0.0746","","","0.168","0.1837","","","","","","1.121","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233359","13.6779","0.0011","18.3499","0.0014","17.2493","0.0014","90","","102.983","0.003","90","","4218.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 N8 O16 -","- C47 H32 N8 O16 -","- C188 H128 N32 O64 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1378","0.155","","","","","","1.004","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233360","7.037","0.003","9.676","0.004","19.738","0.008","87.593","0.011","82.035","0.011","84.659","0.013","1324.6","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N5 O8 -","- C31 H21 N5 O8 -","- C62 H42 N10 O16 -","2","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1522","0.1019","","","0.2847","0.3186","","","","","","1.056","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233361","8.8909","0.0011","7.8185","0.001","36.688","0.005","90","","96.018","0.004","90","","2536.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.081","0.0748","","","0.1902","0.1959","","","","","","1.036","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233362","21.064","0.0017","7.3594","0.0005","17.0447","0.0013","90","","112.32","0.002","90","","2444.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0633","0.0391","","","0.0861","0.0984","","","","","","1.017","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233363","8.9784","0.0015","7.2372","0.0012","38.16","0.007","90","","94.321","0.004","90","","2472.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0476","0.0426","","","0.1146","0.1189","","","","","","1.058","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233364","21.301","0.005","7.2862","0.0013","17.188","0.003","90","","113.047","0.005","90","","2454.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1062","0.0564","","","0.1188","0.1378","","","","","","1.025","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233365","8.931","0.001","7.2239","0.0008","38.218","0.005","90","","94.402","0.002","90","","2458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N5 O8 -","- C26 H18 Cl N5 O8 -","- C104 H72 Cl4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0522","0.0371","","","0.0902","0.0981","","","","","","1.026","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233366","6.8096","0.0002","7.953","0.0003","14.0826","0.0004","94.042","0.002","103.561","0.002","103.726","0.003","713.78","0.04","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine 2-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C28 H28 N8 O10 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0982","0.1003","","","","","","1.046","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233367","6.4812","0.0002","23.7503","0.0007","9.3288","0.0003","90","","101.841","0.003","90","","1405.43","0.08","149.95","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine 3-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.043","0.0377","","","0.0976","0.1016","","","","","","1.077","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233368","7.0166","0.0002","12.4761","0.0004","24.645","0.0008","99.639","0.003","91.74","0.003","99.464","0.003","2094.29","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine di(4-hydroxybenzoic acid) monohydrate","","- C21 H22 N4 O9 -","- C21 H22 N4 O9 -","- C84 H88 N16 O36 -","4","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0525","0.0452","","","0.1325","0.1388","","","","","","1.067","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233369","16.6055","0.001","19.9177","0.0014","21.7032","0.0014","90","","90","","90","","7178.2","0.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H55 Cl N4 O4 -","- C35 H55 Cl N4 O4 -","- C280 H440 Cl8 N32 O32 -","8","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0506","0.0364","","","0.0871","0.0944","","","","","","1.017","","","","has coordinates","217508","2020-10-21","18:00:00",""
"7233370","24.8659","0.0006","15.3224","0.0004","20.1555","0.0008","90","","119.374","0.001","90","","6692.1","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H49 Cl N4 O3 -","- C33 H49 Cl N4 O3 -","- C264 H392 Cl8 N32 O24 -","8","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0951","0.0588","","","0.1312","0.1499","","","","","","1.032","","","","has coordinates,has disorder","217508","2020-10-21","18:00:00",""
"7233371","29.018","0.0011","15.6456","0.0006","19.7456","0.0007","90","","129.451","0.001","90","","6922.2","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Br N4 O3 -","- C36 H52 Br N4 O3 -","- C288 H416 Br8 N32 O24 -","8","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0536","0.0418","","","0.1082","0.1144","","","","","","1.035","","","","has coordinates","217508","2020-10-21","18:00:00",""
"7233372","21.169","0.002","12.0506","0.0011","16.8977","0.0016","90","","97.492","0.006","90","","4273.8","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Br Cl6 N4 O3 -","- C35 H51 Br Cl6 N4 O3 -","- C140 H204 Br4 Cl24 N16 O12 -","4","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.1528","0.1065","","","0.2674","0.2971","","","","","","1.067","","","","has coordinates,has disorder","217508","2020-10-21","18:00:00",""
"7233373","16.9397","0.0008","19.8774","0.0009","21.6754","0.001","90","","90","","90","","7298.5","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H55 Br N4 O4 -","- C35 H55 Br N4 O4 -","- C280 H440 Br8 N32 O32 -","8","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0848","0.0404","","","0.0765","0.0887","","","","","","1.002","","","","has coordinates","217508","2020-10-21","18:00:00",""
"7233374","9.8928","0.0004","34.9965","0.0014","20.5965","0.0008","90","","90.45","0.001","90","","7130.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 I2 N8 O7 -","- C68 H104 I2 N8 O7 -","- C272 H416 I8 N32 O28 -","4","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0576","0.0483","","","0.1197","0.1243","","","","","","1.072","","","","has coordinates,has disorder","217508","2020-10-21","18:00:00",""
"7233375","19.766","0.0014","19.766","0.0014","7.7429","0.0006","90","","90","","90","","3025.1","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C120 H104 N24 O32 -","8","1","","Shi, Taoda; Teng, Shenghan; Wei, Yajie; Guo, Xin; Hu, Wenhao","Synthesis of spiro[2,3-dihydrofuran-3,3′-oxindole] derivatives via a multi-component cascade reaction of α-diazo esters, water, isatins and malononitrile/ethyl cyanoacetate","Green Chemistry","2019","21","18","4936","","10.1039/C9GC01751H","","","0.71073","MoKα","","0.0414","0.0379","","","0.0976","0.1001","","","","","","1.036","","","","has coordinates","224631","2020-10-21","18:00:00",""
"7233377","12.5515","0.0005","5.93199","0.00019","21.5896","0.0011","90","","101.138","0.004","90","","1577.18","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-phenyl-4-(p-tolylselanyl)-1H-pyrazol-5-amine","","- C17 H17 N3 Se -","- C17 H17 N3 Se -","- C68 H68 N12 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0596","0.0365","","","0.0731","0.0819","","","","","","1.02","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233378","10.7344","0.0004","11.4734","0.0004","13.5667","0.0005","92.85","0.003","109.342","0.003","97.713","0.003","1554.36","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-((2-fluorphenyl)selanyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine","","- C16 H14 F N3 Se -","- C16 H14 F N3 Se -","- C64 H56 F4 N12 Se4 -","4","2","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.083","0.0407","","","0.0773","0.0932","","","","","","1.014","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233379","5.7537","0.0002","23.2453","0.0008","12.4112","0.0005","90","","90.937","0.004","90","","1659.73","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-phenyl-4-((3-trifluoromethyl)phenyl)selanyl)-1H-pyrazol-5-amine","","- C17 H14 F3 N3 Se -","- C17 H14 F3 N3 Se -","- C68 H56 F12 N12 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0408","0.0304","","","0.067","0.0711","","","","","","1.03","","","","has coordinates,has disorder","217522","2020-10-21","18:00:00",""
"7233380","8.0441","0.0003","16.3997","0.0006","12.5446","0.0005","90","","106.994","0.004","90","","1582.63","0.11","298","3","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-methyl-4-((3-nitrophenyl)selanyl)-1-phenyl-1H-pyrazol-5-amine","","- C16 H14 N4 O2 Se -","- C16 H14 N4 O2 Se -","- C64 H56 N16 O8 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0336","0.0262","","","0.0636","0.0669","","","","","","1.059","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233381","12.6478","0.001","10.1017","0.0008","26.833","0.003","90","","90","","90","","3428.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 2-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)selanyl)benzoate","","- C18 H17 N3 O2 Se -","- C18 H17 N3 O2 Se -","- C144 H136 N24 O16 Se8 -","8","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1656","0.0537","","","0.0992","0.1373","","","","","","0.982","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233382","9.4439","0.0004","26.141","0.0011","12.8829","0.0004","90","","91.719","0.003","90","","3179","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((2-bromophenyl)selanyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine","","- C16 H14 Br N3 Se -","- C16 H14 Br N3 Se -","- C128 H112 Br8 N24 Se8 -","8","2","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0859","0.0403","","","0.0647","0.0772","","","","","","1.019","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233383","7.8948","0.0005","7.9369","0.0006","31.3002","0.0016","83.404","0.005","89.627","0.005","60.612","0.007","1694.8","0.2","298","3","293","2","","","","","","","","6","P -1","-P 1","2","","3-bromo-2-(1-phenetyl)-4-nitro-1H-pyrazol-3-yl)selanyl)pyridine","","- C16 H13 Br N4 O2 Se -","- C16 H13 Br N4 O2 Se -","- C64 H52 Br4 N16 O8 Se4 -","4","2","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1642","0.0604","","","0.0631","0.086","","","","","","1.006","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233384","4.8207","0.0003","36.9783","0.0015","10.4021","0.0006","90","","95.86","0.006","90","","1844.6","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-ethylbenzyl)-4-nitro-3-(p-tolylselanyl)pyridine","","- C19 H19 N3 O2 Se -","- C19 H19 N3 O2 Se -","- C76 H76 N12 O8 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1563","0.0516","","","0.0916","0.1214","","","","","","1.001","","","","has coordinates,has disorder","217522","2020-10-21","18:00:00",""
"7233385","17.23","0.03","19.96","0.03","9.432","0.015","90","","105.708","0.018","90","","3123","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 N2 O6 Zn -","- C14 H19 N2 O6 Zn -","- C112 H152 N16 O48 Zn8 -","8","1","","He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang","Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation","RSC Advances","2019","9","43","25170","","10.1039/C9RA04499J","","","0.71073","MoKα","","0.0467","0.0443","","","0.1178","0.1188","","","","","","1.162","","","","has coordinates","217523","2020-10-21","18:00:00",""
"7233386","8.585","0.005","10.181","0.006","14.86","0.012","104.46","0.009","101.001","0.009","102.349","0.006","1186.9","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N5 O7 Zn -","- C23 H21 N5 O7 Zn -","- C46 H42 N10 O14 Zn2 -","2","1","","He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang","Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation","RSC Advances","2019","9","43","25170","","10.1039/C9RA04499J","","","0.71073","MoKα","","0.0395","0.0362","","","0.0949","0.0972","","","","","","1.001","","","","has coordinates","217523","2020-10-21","18:00:00",""
"7233387","14.74","0.03","8.444","0.015","19.15","0.03","90","","106.957","0.017","90","","2280","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N5 O8 Zn -","- C22 H21 N5 O8 Zn -","- C88 H84 N20 O32 Zn4 -","4","1","","He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang","Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation","RSC Advances","2019","9","43","25170","","10.1039/C9RA04499J","","","0.71073","MoKα","","0.0433","0.0372","","","0.1466","0.1604","","","","","","1.173","","","","has coordinates","217523","2020-10-21","18:00:00",""
"7233388","12.4608","0.0007","16.0495","0.0007","22.7935","0.0011","90","","99.656","0.002","90","","4493.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Diethyl-(1-((2-amino-1-(pyridin-2-yl)ethoxy)(tert-butyl)amino)- 2,2-dimethylpropyl)phosphonate-2NPy,NNH2- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]","","- C33 H42 F12 N3 O9 P Zn -","- C33 H42 F12 N3 O9 P Zn -","- C132 H168 F48 N12 O36 P4 Zn4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.0805","0.0529","","","0.144","0.184","","","","","","1.069","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233389","15.7902","0.0006","11.3758","0.0004","23.2214","0.0011","90","","105.424","0.002","90","","4020.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cyclo-bis-(?-2-(1-((tert-Butyl(1-(diethoxyphosphoryl)- 2,2-dimethylpropyl)amino)oxy)ethyl)pyrazine-1,4-dioxide-kON-O:kOP=O- tetrakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')dizinc(II)","","- C58 H76 F24 N6 O20 P2 Zn2 -","- C58 H76 F24 N6 O20 P2 Zn2 -","- C116 H152 F48 N12 O40 P4 Zn4 -","2","0.5","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.0612","0.0453","","","0.1217","0.1366","","","","","","1.06","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233390","13.121","0.0011","12.1695","0.0009","25.591","0.002","90","","98.367","0.004","90","","4042.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Diethyl-(1-(tert-butyl(2-hydroxy-1-(pyridin-2-yl)ethoxy)amino)- 2,2-dimethylpropyl)phosphonate-k2NPy,OP=O- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]","","- C30 H37 F12 N2 O9 P Zn -","- C30 H37 F12 N2 O9 P Zn -","- C120 H148 F48 N8 O36 P4 Zn4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.1026","0.0702","","","0.1898","0.2487","","","","","","1.016","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233391","11.3993","0.0006","13.6801","0.0008","16.1856","0.0009","96.668","0.002","94.471","0.002","100.497","0.002","2452.3","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","Diethyl-(1-((1-((tert-butyldimethylsilyl)oxy)-2-methylpropan-2-yl) (1-(pyridin-2-yl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate-k2NPy,OP=O- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]","","- C36 H53 F12 N2 O9 P Si Zn -","- C36 H53 F12 N2 O9 P Si Zn -","- C72 H106 F24 N4 O18 P2 Si2 Zn2 -","2","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.0686","0.0448","","","0.1255","0.1784","","","","","","1.052","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233392","16.2198","0.0009","9.6226","0.0006","29.4018","0.0018","90","","93.873","0.005","90","","4578.5","0.5","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H36 N3 O5 P -","- C19 H36 N3 O5 P -","- C152 H288 N24 O40 P8 -","8","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","x-ray","0.71073","MoKα","","0.1172","0.0735","","","0.2152","0.3084","","","","","","1.078","","","","has coordinates","217573","2020-10-21","18:00:00",""
"7233393","15.4251","0.0006","17.7197","0.0007","19.8153","0.0007","86.523","0.002","70.362","0.001","67.35","0.001","4692.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","bis-?-Diethyl-(1-(tert-butyl(1-(pyrazin-2-yl)ethoxy)amino)-2,2- dimethylpropyl)phosphonate-1k2N1Pyr,OP=O:2k2N1'Pyr,O'P=O:3k2N4Pyr,N4'Pyr- hexakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato- 2O,O )trizinc(II)","","- C68 H78 F36 N6 O20 P2 Zn3 -","- C68 H78 F36 N6 O20 P2 Zn3 -","- C136 H156 F72 N12 O40 P4 Zn6 -","2","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.074","0.0573","","","0.153","0.1701","","","","","","1.037","","","","has coordinates","217573","2020-10-21","18:00:00",""
"7233394","8.3364","0.0001","24.4555","0.0003","11.4028","0.0001","90","","90.717","0.001","90","","2324.52","0.04","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 I N O3 -","- C25 H28 I N O3 -","- C100 H112 I4 N4 O12 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0613","0.0618","","","","","","1.056","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233395","8.77916","0.00011","19.3848","0.0002","11.98474","0.00015","90","","89.748","0.0011","90","","2039.57","0.04","172.97","0.1","172.97","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 I N O2 -","- C24 H24 I N O2 -","- C96 H96 I4 N4 O8 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0784","0.0787","","","","","","1.06","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233396","9.71088","0.00005","16.39216","0.00009","15.37234","0.00009","90","","97.2646","0.0005","90","","2427.36","0.02","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 S -","- C32 H19 N5 S -","- C128 H76 N20 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0362","0.0346","","","0.0905","0.0919","","","","","","1.051","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233397","9.74862","0.00008","17.91753","0.00015","17.82303","0.00015","90","","92.1261","0.0008","90","","3111.03","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 N6 O4 S -","- C39 H24 N6 O4 S -","- C156 H96 N24 O16 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0414","0.0389","","","0.1042","0.1062","","","","","","1.029","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233398","10.12758","0.00005","16.68174","0.0001","19.48203","0.0001","90","","99.0942","0.0005","90","","3250.03","0.03","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 F3 N5 O2 S -","- C40 H24 F3 N5 O2 S -","- C160 H96 F12 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0618","0.0568","","","0.158","0.1623","","","","","","1.065","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233399","9.72297","0.00007","17.69375","0.00011","18.28982","0.00012","90","","94.3128","0.0006","90","","3137.59","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N6 O2 S -","- C40 H24 N6 O2 S -","- C160 H96 N24 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0386","0.0357","","","0.092","0.0942","","","","","","1.025","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233400","9.93969","0.00008","17.64482","0.00016","17.57204","0.00014","90","","93.1282","0.0008","90","","3077.26","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 N5 O2 S -","- C39 H25 N5 O2 S -","- C156 H100 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0374","0.0355","","","0.0927","0.0942","","","","","","1.043","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233401","19.109","0.002","19.109","0.002","8.6482","0.0011","90","","90","","120","","2734.8","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H70 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.0337","0.0281","","","0.073","0.0752","","","","","","1.079","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233402","19.1877","0.0019","19.1877","0.0019","8.5095","0.0009","90","","90","","120","","2713.2","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H90 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.1479","0.0728","","","0.1506","0.1859","","","","","","0.997","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233403","9.5181","0.0002","21.4287","0.0004","7.5942","0.0002","90","","111.404","0.003","90","","1442.09","0.06","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N O -","- C19 H14 F3 N O -","- C76 H56 F12 N4 O4 -","4","1","","Gao, Cai; Li, Bin; Geng, Xueyang; Zhou, Qianting; Zhang, Xinying; Fan, Xuesen","Two birds with one stone: one-pot simultaneous synthesis of 2,2,2-trifluoroethylphenanthridines and benzochromenones featuring the utilization of the byproduct of Togni's reagent","Green Chemistry","2019","21","18","5113","","10.1039/C9GC02001B","","x-ray","1.54184","CuKα","","0.0583","0.0527","","","0.1379","0.1404","","","","","","1.242","","","","has coordinates","224630","2020-10-21","18:00:00",""
"7233404","16.836","0.0014","24.094","0.002","17.7653","0.0015","90","","117.791","0.003","90","","6375.2","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H147 Cd4 N19 Na2 O35 -","- C109 H147 Cd4 N19 Na2 O35 -","- C218 H294 Cd8 N38 Na4 O70 -","2","0.5","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.1197","0.0692","","","0.1883","0.2216","","","","","","1.045","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233405","43.6114","0.0018","43.6114","0.0018","43.6114","0.0018","90","","90","","90","","82947","6","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H90 N6 O31 Zn7 -","- C72 H72 N6 O31 Zn7 -","- C1152 H1152 N96 O496 Zn112 -","16","0.0833333","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.2533","0.1448","","","0.3452","0.4833","","","","","","1.688","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233406","10.0881","0.0002","10.2574","0.0002","14.2782","0.0003","76.988","0.002","72.988","0.002","82.528","0.002","1373.28","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0411","0.0384","","","0.0995","0.1014","","","","","","1.069","","","","has coordinates","223696","2020-10-21","18:00:00",""
"7233407","16.2198","0.0002","10.5608","0.0001","21.3159","0.0002","90","","90","","90","","3651.29","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cu2 N4 O14 -","- C34 H28 Cu2 N4 O14 -","- C136 H112 Cu8 N16 O56 -","4","0.5","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0546","0.0506","","","0.1522","0.1572","","","","","","1.07","","","","has coordinates,has disorder","223696","2020-10-21","18:00:00",""
"7233408","12.5556","0.0011","10.9547","0.0012","26.244","0.003","90","","91.529","0.009","90","","3608.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O -","- C18 H12 O -","- C216 H144 O12 -","12","6","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.2173","0.1143","","","0.2825","0.386","","","","","","0.987","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233409","10.4667","0.0006","11.5284","0.0004","10.3816","0.0005","90","","104.218","0.006","90","","1214.32","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","1","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.0671","0.0491","","","0.1293","0.146","","","","","","1.038","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233410","34.3656","0.0014","7.0662","0.0003","9.9016","0.0004","90","","98.266","0.004","90","","2379.47","0.17","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.05","0.0482","","","0.1392","0.1413","","","","","","1.096","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233411","8.1482","0.0007","11.8292","0.001","13.9004","0.0012","79.258","0.002","78.938","0.002","80.499","0.002","1280.21","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Cl4 Co N5 O3 S -","- C21 H22 Cl4 Co N5 O3 S -","- C42 H44 Cl8 Co2 N10 O6 S2 -","2","1","","Chattopadhyay, Shouvik; Ghosh, Kousik; Banerjee, Snehasis","Relative stability of cis and trans isomers of octahedral cobalt(III) complexes of the type [Co(N2O2)X2] with tetradentate salen type Schiff bases: A combined theoretical and experimental study","CrystEngComm","2019","","","","","10.1039/C9CE00922A","","","0.71073","MoKα","","0.04","0.0301","","","0.1028","0.1289","","","","","","0.998","","","","has coordinates","217642","2020-10-21","18:00:00",""
"7233412","5.19987","0.00006","11.27107","0.00012","12.08308","0.00011","103.642","0.0008","98.8523","0.0009","101.498","0.0009","659.199","0.013","100","","100","1","","","","","","","","5","P -1","-P 1","2","","N-n-butyltetrachlorophthalimide","","- C12 H9 Cl4 N O2 -","- C12 H9 Cl4 N O2 -","- C24 H18 Cl8 N2 O4 -","2","1","","Owczarzak, Agata; Dutkiewicz, Grzegorz; Kubicki, Maciej","Charge density distribution in the crystals of N-n-butyltetrachlorophthalimide. Atoms-In-Molecules analysis of different types of halogen interactions","CrystEngComm","2019","","","","","10.1039/C9CE01120J","","","0.71073","MoKα","","0.0131","0.0131","","","0.016","0.016","","","","","","0.926","","","","has coordinates","217643","2020-10-21","18:00:00",""
"7233413","16.7161","0.0002","13.9805","0.0001","19.1927","0.0002","90","","105.636","0.001","90","","4319.34","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cl2 O4 P2 Pd S -","- C42 H38 Cl2 O4 P2 Pd S -","- C168 H152 Cl8 O16 P8 Pd4 S4 -","4","1","","Yang, Da; Liu, Huan; Liu, Lei; Guo, Wen-Di; Lu, Yong; Liu, Ye","Co-catalysis over a tri-functional ligand modified Pd-catalyst for hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids","Green Chemistry","2019","21","19","5336","","10.1039/C9GC01887E","","x-ray","1.54184","CuKα","","0.0503","0.0469","","","0.1156","0.1177","","","","","","1.044","","","","has coordinates","224612","2020-10-21","18:00:00",""
"7233414","10.0776","0.0008","11.8793","0.001","16.4275","0.0009","95.541","0.005","104.025","0.006","112.585","0.008","1721.7","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N O4 Si2 -","- C39 H39 N O4 Si2 -","- C78 H78 N2 O8 Si4 -","2","1","","Wu, Ya; Chen, Hua; Yang, Wenyu; Fan, Yu; Gao, Lu; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Asymmetric retro-[1,4]-Brook rearrangement of 3-silyl allyloxysilanes via chirality transfer from silicon to carbon","RSC Advances","2019","9","45","26209","","10.1039/C9RA05482K","","x-ray","0.71073","MoKα","","0.0649","0.0451","","","0.1051","0.1174","","","","","","1.028","","","","has coordinates","217655","2020-10-21","18:00:00",""
"7233415","10.5099","0.0002","14.8311","0.0003","18.254","0.0003","90","","90","","90","","2845.31","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O Si2 -","- C32 H36 O Si2 -","- C128 H144 O4 Si8 -","4","1","","Wu, Ya; Chen, Hua; Yang, Wenyu; Fan, Yu; Gao, Lu; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Asymmetric retro-[1,4]-Brook rearrangement of 3-silyl allyloxysilanes via chirality transfer from silicon to carbon","RSC Advances","2019","9","45","26209","","10.1039/C9RA05482K","","x-ray","1.54178","CuKα","","0.0365","0.0352","","","0.0991","0.1009","","","","","","1.059","","","","has coordinates","217655","2020-10-21","18:00:00",""
"7233416","18.659","0.007","9.1804","0.0008","20.117","0.003","90","","99.31","0.018","90","","3400.6","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 Mo N4 O4 -","- C37 H30 Cl2 Mo N4 O4 -","- C148 H120 Cl8 Mo4 N16 O16 -","4","1","","Kia, Reza; Hosseini, Mahsa; Abdolrahimi, Amin; Mahmoudi, Melika","Intermolecular C‒H⋯O and n →π* and short intramolecular σ →π* interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: structural and computational studies","CrystEngComm","2019","21","35","5222","","10.1039/C9CE01005J","","","0.71073","MoKα","","0.0977","0.0713","","","0.1607","0.1777","","","","","","1.06","","","","has coordinates","223703","2020-10-21","18:00:00",""
"7233417","8.5132","0.0002","16.183","0.0003","18.9865","0.0004","90","","97.818","0.002","90","","2591.44","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone acetonitrile hemisolvate","","- C26 H27 N5 O4 S2 -","- C26 H27 N5 O4 S2 -","- C104 H108 N20 O16 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0393","","","0.0975","0.1056","","","","","","1.071","","","","has coordinates","223699","2020-10-21","18:00:00",""
"7233418","8.4167","0.0002","16.3415","0.0003","19.1383","0.0004","90","","95.832","0.002","90","","2618.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone nitromethane hemisolvate","","- C25 H27 N5 O6 S2 -","- C25 H27 N5 O6 S2 -","- C100 H108 N20 O24 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","1.54178","CuKα","K-L~3~","0.05","0.0491","","","0.1269","0.1276","","","","","","1.107","","","","has coordinates","223699","2020-10-21","18:00:00",""
"7233419","10.38775","","10.38775","","5.69198","","90","","90","","120","","531.909","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Y Ca3 (Al O)3 (B O3)4","","- Al3 B4 Ca3 O15 Y -","- Al3 B4 Ca2.999 O15 Y1.001 -","- Al6 B8 Ca5.998 O30 Y2.002 -","2","0.166667","","Yue, Cheng; Zhu, Dachuan; Yan, Qun; Pu, Yong","A red-emitting Sr3La(1−x)Eux(AlO)3(BO3)4 phosphor with high thermal stability and color purity for near-UV-excited wLEDs","RSC Advances","2019","9","45","26364","","10.1039/C9RA05017E","","","","","","","","","","","","","","","","","","","","","has coordinates","217667","2020-10-21","18:00:00",""
"7233420","18.5382","0.0005","18.5382","0.0005","6.7599","0.0002","90","","90","","120","","2011.9","0.1","173","","173","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C60 H66 Cu6 N6 O30 -","6","0.5","","McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.","Synthesis and structural characterisation of the copper MOF: STAM-NMe2","CrystEngComm","2019","21","36","5387","","10.1039/C9CE01035A","","x-ray","0.71073","MoKα","","0.0565","0.0367","","","0.0941","0.0992","","","","","","1.124","","","","has coordinates","223701","2020-10-21","18:00:00",""
"7233421","9.2213","0.0016","13.783","0.002","5.0802","0.0008","90","","90","","90","","645.68","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-amino-3-chloro-2,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C20 H8 Cl4 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0582","0.0467","","","0.1413","0.1492","","","","","","0.965","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233422","15.0718","0.0007","13.6626","0.0005","7.0649","0.0003","90","","92.519","0.002","90","","1453.4","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3,5-dichloro-2,6-difluoropyridine","","- C5 H2 Cl2 F2 N2 -","- C5 H2 Cl2 F2 N2 -","- C40 H16 Cl16 F16 N16 -","8","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0555","0.0424","","","0.1192","0.1338","","","","","","0.972","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233423","3.6538","0.0003","7.6296","0.0008","20.158","0.002","90","","91.323","0.004","90","","561.8","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3,5,6-trifluoropyridine","","- C5 H3 F3 N2 -","- C5 H3 F3 N2 -","- C20 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0619","0.0516","","","0.1329","0.1391","","","","","","1.023","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233424","5.0807","0.0005","7.6319","0.0007","8.5518","0.0009","77.722","0.004","89.064","0.005","87.753","0.004","323.75","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C10 H4 Cl2 F6 N4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0412","0.0303","","","0.0679","0.0758","","","","","","0.988","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233425","12.6301","0.0005","8.1303","0.0003","15.8162","0.0006","90","","106.549","0.002","90","","1556.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5,7-difluoroquinoline 18-crown-6, associate 2:1","","- C30 H36 F4 N4 O6 -","- C30 H36 F4 N4 O6 -","- C60 H72 F8 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0532","0.0404","","","0.1088","0.1224","","","","","","0.994","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233426","15.8794","0.0006","13.2887","0.0006","11.502","0.0004","90","","98.93","0.002","90","","2397.69","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C52 H52 F6 N6 O6 -","- C52 H52 F6 N6 O6 -","- C104 H104 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0633","0.0445","","","0.1149","0.1398","","","","","","0.997","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233427","8.519","0.0008","12.8724","0.0013","15.611","0.0017","110.573","0.004","98.064","0.004","90.097","0.004","1584.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine","","- C20 H14 F3 N3 -","- C20 H14 F3 N3 -","- C80 H56 F12 N12 -","4","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.1526","0.0978","","","0.2388","0.2623","","","","","","0.913","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233428","19.2435","0.0008","9.9058","0.0004","17.6406","0.0008","90","","119.63","0.002","90","","2923","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3,5-dichloro-2,6-difluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl4 F4 N4 O6 -","- C22 H28 Cl4 F4 N4 O6 -","- C88 H112 Cl16 F16 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0665","0.0474","","","0.1205","0.1348","","","","","","0.989","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233429","22.3524","0.0011","8.0294","0.0003","16.3762","0.0008","90","","109.214","0.002","90","","2775.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0664","0.0435","","","0.1298","0.1627","","","","","","1.028","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233430","19.1536","0.001","9.583","0.0005","17.3666","0.0014","90","","118.714","0.002","90","","2795.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3-chloro-2,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0634","0.0505","","","0.1389","0.1513","","","","","","1.074","","","","has coordinates,has disorder","223567","2020-10-21","18:00:00",""
"7233431","8.722","0.002","16.464","0.004","9.5","0.002","90","","100.139","0.009","90","","1342.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H30 F6 N4 O6 -","- C22 H30 F6 N4 O6 -","- C44 H60 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0885","0.0521","","","0.1306","0.1626","","","","","","1.006","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233432","12.5421","0.0005","9.4386","0.0003","14.5435","0.0006","90","","106.472","0.002","90","","1651","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-amino-2-chloro-5,6,8-trifluoroquinoline 18-crown-6, associate 2:1","","- C30 H32 Cl2 F6 N4 O6 -","- C30 H32 Cl2 F6 N4 O6 -","- C60 H64 Cl4 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0683","0.0519","","","0.1495","0.1726","","","","","","0.956","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233433","15.112","0.0004","21.1317","0.0004","29.3846","0.0008","90","","90","","90","","9383.7","0.4","296.14","0.1","296.14","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H12 Fe N6 O4 Pt -","- C17 H12 Fe N6 O4 Pt -","- C272 H192 Fe16 N96 O64 Pt16 -","16","1","","Zhao, Jia; Huang, Hui; Liu, Ming; Wang, Jin-Hua; Liu, Kai; Li, Zhao-Yang","Hofmann-like metal‒organic-framework-derived PtxFe/C/N-GC composites as efficient electrocatalysts for methanol oxidation","RSC Advances","2019","9","45","26450","","10.1039/C9RA04652F","","x-ray","1.54184","CuKα","","0.0376","0.0324","","","0.1084","0.1127","","","","","","1.136","","","","has coordinates","217698","2020-10-21","18:00:00",""
"7233454","11.71","0.002","11.89","0.002","12.71","0.003","95.65","0.03","114.28","0.03","111.22","0.03","1438.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","1","0.5","","Sun, Xiaojuan; Zhang, Jie; Yuan, Xianzhi; Fu, Zhiyong","A silicotungstate-based copper‒viologen hybrid photocatalytic compound for efficient degradation of organic dyes under visible light","CrystEngComm","2019","21","37","5563","","10.1039/C9CE01075K","","","0.71073","MoKα","","0.1169","0.0992","","","0.2369","0.256","","","","","","1.053","","","","has coordinates","223498","2020-10-21","18:00:00",""
"7233455","9.337","0.0005","4.60528","0.00024","11.4184","0.0006","90","","82.134","0.005","90","","486.37","0.04","295","","295","","0.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1376","","1.12","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233456","9.3394","0.0007","4.57648","0.0003","11.3816","0.0007","90","","82.16","0.006","90","","481.92","0.06","295","","295","","0.36","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1442","","0.96","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233457","9.485","0.0005","3.70468","0.00011","12.9889","0.0007","90","","77.632","0.004","90","","445.82","0.04","295","","295","","0.9","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0905","","1.593","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233458","9.4444","0.0005","3.46902","0.00011","13.1315","0.0007","90","","77.318","0.004","90","","419.73","0.03","295","","295","","2.25","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1113","","1.03","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233459","9.4568","0.0004","3.51779","0.00009","13.1178","0.0006","90","","77.346","0.004","90","","425.79","0.03","295","","295","","1.87","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0863","","1.824","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233460","9.4526","0.0005","3.49778","0.00011","13.1229","0.0008","90","","77.341","0.005","90","","423.34","0.04","295","","295","","2.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1134","","1.136","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233461","9.338","0.0006","4.59377","0.00029","11.4034","0.0007","90","","82.154","0.006","90","","484.59","0.05","295","","295","","0.26","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.158","","0.934","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233462","9.3429","0.0005","4.55499","0.00024","11.3567","0.0006","90","","82.183","0.005","90","","478.81","0.04","295","","295","","0.5","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1224","","1.146","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233463","9.4344","0.0005","3.44007","0.0001","13.1345","0.0007","90","","77.317","0.004","90","","415.88","0.03","295","","295","","2.53","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0969","","1.069","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233464","9.4644","0.0005","3.5503","0.00011","13.1017","0.0007","90","","77.388","0.004","90","","429.61","0.04","295","","295","","1.63","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0949","","1","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233465","9.4768","0.0005","3.61125","0.00013","13.0677","0.0008","90","","77.463","0.005","90","","436.55","0.04","295","","295","","1.31","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0907","","1.057","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233466","9.419","0.0005","3.39405","0.0001","13.1379","0.0007","90","","77.31","0.004","90","","409.74","0.03","295","","295","","3.04","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.077","","1.126","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233467","9.4251","0.0005","3.41438","0.0001","13.1382","0.0007","90","","77.309","0.004","90","","412.47","0.03","295","","295","","2.81","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0799","","1.009","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233468","9.4033","0.0005","3.35415","0.0001","13.132","0.0007","90","","77.321","0.005","90","","404.08","0.03","295","","295","","3.57","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0836","","1.062","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233469","9.4113","0.0005","3.37412","0.0001","13.1358","0.0007","90","","77.317","0.004","90","","406.95","0.03","295","","295","","3.28","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.089","","1.008","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233470","9.4872","0.0007","3.81402","0.00019","12.8589","0.001","90","","77.936","0.007","90","","455.02","0.06","295","","295","","0.62","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1509","","1.495","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233471","9.3926","0.0005","3.33285","0.0001","13.1269","0.0007","90","","77.329","0.005","90","","400.92","0.03","295","","295","","3.89","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0904","","1.02","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233472","9.3308","0.0008","4.6415","0.0004","11.4721","0.001","90","","82.069","0.006","90","","492.09","0.07","295","","295","","0","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1352","","1.318","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233473","9.3332","0.0008","4.6196","0.0004","11.4456","0.0009","90","","82.101","0.007","90","","488.8","0.07","295","","295","","0.1","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1775","","1.0075","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233474","13.2953","0.0004","8.1752","0.0003","17.7914","0.0006","90","","96.999","0.002","90","","1919.37","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0617","0.0422","","","0.1262","0.1439","","","","","","0.9605","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233475","28.9199","0.0009","7.3899","0.0002","18.0028","0.0006","90","","116.427","0.002","90","","3445.42","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C168 H144 Cl8 N8 O32 -","8","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.057","0.0406","","","0.1051","0.1155","","","","","","1.028","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233476","6.8891","0.0002","20.9101","0.0007","30.2189","0.0011","90","","90","","90","","4353.1","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl N O8.5 -","- C21 H27 Cl N O8.5 -","- C168 H216 Cl8 N8 O68 -","8","2","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0798","0.0471","","","0.0942","0.1084","","","","","","1.007","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233523","6.6213","0.0013","15.81","0.003","16.409","0.003","90","","90","","90","","1717.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C72 H80 F4 N12 O16 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1264","0.0784","","","0.1408","0.1596","","","","","","1.047","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233524","17.353","0.004","6.784","0.003","18.68","0.006","90","","105.31","0.03","90","","2121","1.3","113","2","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H26 F N3 O6 -","- C20 H23 F N3 O6 -","- C80 H92 F4 N12 O24 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.0983","0.0888","","","0.2529","0.2662","","","","","","1.049","","","","has coordinates,has disorder","223511","2020-10-21","18:00:00",""
"7233525","26.067","0.005","9.2924","0.0019","34.377","0.007","90","","94.22","0.03","90","","8304","3","128.15","","128.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 F4 N12 O16 -","- C72 H80 F4 N12 O16 -","- C288 H320 F16 N48 O64 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1454","0.1109","","","0.2776","0.3122","","","","","","1.031","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233526","30.9411","0.0004","5.05534","0.00007","5.9564","0.00008","90","","90","","90","","931.69","0.02","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","Cadmium 3-fluorobenzylphosphonate","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0142","2.70733","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233527","6.00417","0.00009","32.3664","0.0005","5.10565","0.00008","90","","93.183","0.001","90","","990.67","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 1 21/n 1","-P 2yn","14","","Cadmium 2,3,4,5,6-pentafluorobenzylphosphonate","","- C7 H4 Cd F5 O4 P -","- C7 H4 Cd F5 O4 P -","- C28 H16 Cd4 F20 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0091","1.57337","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233528","30.6727","0.0005","5.93558","0.00009","5.0541","0.00008","90","","90","","90","","920.15","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0198","3.42785","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233529","30.388656","","5.045593","","5.93953","","90","","90","","90","","910.701","","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd O4 P -","- C7 H9 Cd O4 P -","- C28 H36 Cd4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0339","8.08334","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233530","7.792","0.0007","14.2386","0.0013","7.9049","0.0007","90","","94.487","0.001","90","","874.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H32 N4 O6 -","- C12 H32 N4 O6 -","- C24 H64 N8 O12 -","2","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0365","0.0317","","","0.0823","0.0858","","","","","","0.968","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233531","16.7939","0.0004","17.0018","0.0005","15.0341","0.0003","90","","90","","90","","4292.63","0.18","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H42.8 N2.8 O2.1 -","- C18 H42.804 N2.804 O2.098 -","- C144 H342.432 N22.432 O16.784 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0548","0.0481","","","0.1236","0.1295","","","","","","1.028","","","","has coordinates,has disorder","223727","2020-10-21","18:00:00",""
"7233532","16.8256","0.0005","17.1025","0.0005","15.0186","0.0005","90","","90","","90","","4321.7","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H43 N3 O2 -","- C18 H43 N3 O2 -","- C144 H344 N24 O16 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0521","0.0447","","","0.1163","0.1218","","","","","","1.026","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233533","5.8474","0.001","8.9093","0.0015","11.586","0.002","99.477","0.007","93.462","0.007","107.504","0.008","563.89","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(+/-)-Synephrine Succinic Acid (1:0.5) Salt","(+/-)-Synephrine Succinic Acid (1:0.5) Salt","","- C11 H16 N O4 -","- C11 H16 N O4 -","- C22 H32 N2 O8 -","2","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71075","MoKα","","0.0975","0.0604","","","0.1445","0.1628","","","","","","1.044","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233534","13.045","0.002","5.6577","0.0008","16.169","0.003","90","","107.412","0.017","90","","1138.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(+/-)-Synephrine Fumaric Acid (1:0.5) Salt","(+/-)-Synephrine Fumaric Acid (1:0.5) Salt","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.156","0.0874","","","0.1534","0.1897","","","","","","1.073","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233535","17.704","0.007","6.2","0.003","21.99","0.01","90","","98.751","0.011","90","","2385.6","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(+/-)-Synephrine Glutaric acid (1:0.5) Salt","(+/-)-Synephrine Glutaric acid (1:0.5) Salt","","- C23 H34 N2 O8 -","- C23 H34 N2 O8 -","- C92 H136 N8 O32 -","4","0.5","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71075","MoKα","","0.0549","0.0451","","","0.1162","0.1203","","","","","","0.994","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233536","28.0334","0.0019","5.4264","0.0002","18.2828","0.001","90","","99.968","0.007","90","","2739.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(+/-)-Synephrine adipic acid (1:0.5) Salt Monohydrate","(+/-)-Synephrine adipic acid (1:0.5) Salt Monohydrate","","- C12 H20 N O5 -","- C12 H20 N O5 -","- C96 H160 N8 O40 -","8","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71075","MoKα","","0.1202","0.0674","","","0.158","0.1842","","","","","","1.042","","","","has coordinates,has disorder","217820","2020-10-21","18:00:00",""
"7233537","12.997","0.007","7.236","0.004","12.376","0.006","90","","116.81","0.02","90","","1038.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(+/-)-Synephrine Oxalic Acid (1:0.5) Salt","(+/-)-Synephrine Oxalic Acid (1:0.5) Salt","","- C10 H14 N O4 -","- C10 H14 N O4 -","- C40 H56 N4 O16 -","4","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71075","MoKα","","0.1247","0.0719","","","0.181","0.2064","","","","","","1.04","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233538","8.869","0.005","12.103","0.006","9.009","0.004","90","","113.4","0.008","90","","887.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(+/-)-Synephrine","(+/-)-Synephrine","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71075","MoKα","","0.0877","0.0508","","","0.1217","0.1363","","","","","","0.998","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233539","28.333","0.01","5.241","0.0015","18.325","0.006","90","","100.435","0.005","90","","2676.1","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(+/-)-Synephrine adipic acid (1:0.5) Salt monolhydrate","(+/-)-Synephrine adipic acid (1:0.5) Salt monolhydrate","","- C12 H20 N O5 -","- C12 H20 N O5 -","- C96 H160 N8 O40 -","8","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71075","MoKα","","0.0555","0.0453","","","0.1166","0.1209","","","","","","1.004","","","","has coordinates,has disorder","217820","2020-10-21","18:00:00",""
"7233540","5.7487","0.0003","8.9795","0.0005","11.6493","0.0006","100.209","0.005","90.688","0.004","106.188","0.005","567.16","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Synephrine-DL-Malic acid 1:0.5 salt","","","- C11 H15.5 N O4.5 -","- C11 H15.5 N O4.5 -","- C22 H31 N2 O9 -","2","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.0948","0.0703","","","0.1675","0.1913","","","","","","1.042","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233541","9.5357","0.0003","11.1714","0.0003","11.4964","0.0003","89.067","0.002","70.401","0.003","79.552","0.002","1133.28","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Synephrine-DL-Tartaric acid 2:1 salt","","","- C22 H32 N2 O10 -","- C22 H32 N2 O10 -","- C44 H64 N4 O20 -","2","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.0612","0.0495","","","0.1182","0.1287","","","","","","1.029","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233542","5.6127","0.0004","9.3029","0.0007","11.6456","0.0006","101.243","0.005","91.903","0.005","105.888","0.006","571.19","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","(+/-) Synephrine L-tarataric acid salt (2:1)","","","- C22 H32 N2 O10 -","- C22 H32 N2 O10 -","- C22 H32 N2 O10 -","1","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.0607","0.0481","","","0.1082","0.1227","","","","","","1.037","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233543","15.4695","0.0012","11.6758","0.0005","15.9648","0.001","90","","112.858","0.008","90","","2657.1","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","(+/-)Synephrine Terephthalic acid (1:0.5) monohydrate","","","- C13 H18 N O5 -","- C13 H18 N O5 -","- C104 H144 N8 O40 -","8","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.0863","0.057","","","0.136","0.1606","","","","","","1.049","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233566","10.9409","0.0012","15.4091","0.0017","23.902","0.003","91.577","0.001","100.609","0.001","110.048","0.001","3702.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H160 Cd3 Cl12 La2 N48 O52 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.073","0.0622","","","0.1911","0.2036","","","","","","1.007","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233567","12.023","0.006","12.837","0.006","13.44","0.006","79.253","0.006","64.689","0.007","81.772","0.007","1837.6","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl10 N24 Nd2 O28 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1749","0.1368","","","0.4014","0.4402","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233568","12.298","0.002","15.48","0.003","18.54","0.004","81.044","0.003","87.516","0.003","87.398","0.003","3480.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Ho N24 O25 -","- C44 H52 Cd Cl5 Ho N24 O25 -","- C88 H104 Cd2 Cl10 Ho2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0921","0.0654","","","0.169","0.1914","","","","","","1.008","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233569","11.786","0.004","12.205","0.004","16.776","0.008","109.814","0.007","101.083","0.007","104.474","0.005","2094.2","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Ce2 Cl8 N26 O38 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0443","0.04","","","0.1254","0.1289","","","","","","1.006","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233570","15.4032","0.0016","17.4427","0.0018","18.5949","0.0019","112.95","0.001","100.91","0.001","97.578","0.002","4398.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H204 Cd2 Cl16 N48 O74 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.074","0.0518","","","0.1444","0.1568","","","","","","1.004","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233571","20.532","0.01","15.111","0.007","17.84","0.009","90","","122.546","0.005","90","","4666","4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H108 Cd2 Cl12 Ho2 N24 O38 -","- C56 H62 Cd2 Cl12 Ho2 N24 O26 -","- C112 H124 Cd4 Cl24 Ho4 N48 O52 -","2","0.25","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1074","0.0733","","","0.1928","0.2162","","","","","","1.009","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233572","12.3061","0.0013","15.4709","0.0017","18.522","0.002","81.042","0.002","87.538","0.001","87.38","0.002","3477.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H80 Cd Cl5 Dy N24 O26 -","- C44 H52 Cd Cl5 Dy N24 O26 -","- C88 H104 Cd2 Cl10 Dy2 N48 O52 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0888","0.0598","","","0.1523","0.1745","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233573","12.3443","0.0015","15.456","0.0019","18.558","0.002","81.136","0.002","87.379","0.002","87.409","0.002","3492.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Gd N24 O25 -","- C44 H52 Cd Cl5 Gd N24 O25 -","- C88 H104 Cd2 Cl10 Gd2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.055","0.0468","","","0.1345","0.1432","","","","","","1.002","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233574","15.3462","0.0015","17.3743","0.0017","18.4992","0.0018","112.402","0.001","100.568","0.001","98.219","0.001","4358.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H220 Cd2 Cl16 Eu4 N48 O82 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0504","0.0447","","","0.1532","0.1617","","","","","","1.007","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233575","12.438","0.004","15.506","0.005","18.489","0.006","80.79","0.004","87.654","0.004","87.463","0.004","3514","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cd Cl4 N25 O26 Sm -","- C44 H52 Cd Cl4 N25 O26 Sm -","- C88 H104 Cd2 Cl8 N50 O52 Sm2 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0962","0.0674","","","0.1931","0.2264","","","","","","1.013","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233576","7.308","0.006","7.452","0.006","7.833","0.007","96.059","0.014","108.374","0.013","117.853","0.014","341.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","4-methylbenzoic acid","","- C8 H8 O2 -","- C8 H8 O2 -","- C16 H16 O4 -","2","1","","Hwang, Kuo Chu; Sagadevan, Arunachalam; Kundu, Pradip","Sustainable Room Temperature Conversion of p-Xylene to Terephthalic Acid using Ozone and UV Irradiation","Green Chemistry","2019","","","","","10.1039/C9GC02095K","","","0.71073","MoKα","","0.0949","0.0602","","","0.1514","0.1717","","","","","","1.038","","","","has coordinates","217859","2020-10-21","18:00:00",""
"7233577","4.206","0.002","15.399","0.009","9.109","0.005","90","","92.854","0.01","90","","589.2","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","diethyl terephthalate","","- C12 H14 O4 -","- C12 H14 O4 -","- C24 H28 O8 -","2","0.5","","Hwang, Kuo Chu; Sagadevan, Arunachalam; Kundu, Pradip","Sustainable Room Temperature Conversion of p-Xylene to Terephthalic Acid using Ozone and UV Irradiation","Green Chemistry","2019","","","","","10.1039/C9GC02095K","","","0.71073","MoKα","","0.1046","0.0536","","","0.1257","0.1521","","","","","","1.021","","","","has coordinates","217859","2020-10-21","18:00:00",""
"7233578","9.7644","0.0015","12.097","0.002","13.137","0.002","90","","94.859","0.011","90","","1546.2","0.4","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","INDOLINE","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Mancinelli, Andrea; Albert, Joan; Ariza, Xavier; Barrios, Leoní A.; Garcia, Jordi; Gómez, Roberto; Granell, Jaume","Access to indolines from primary phenylethylamines by an unexpected palladium-catalyzed C‒H functionalization process","RSC Advances","2019","9","47","27176","","10.1039/C9RA05670J","","","0.71073","MoKα","","0.0873","0.0617","","","0.1688","0.192","","","","","","1.109","","","","has coordinates,has disorder","217865","2020-10-21","18:00:00",""
"7233592","15.8088","0.0008","8.9035","0.0005","33.389","0.0016","90","","116.64","0.004","90","","4200.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N3 O3 P3 -","- C48 H48 N3 O3 P3 -","- C192 H192 N12 O12 P12 -","4","1","","Bissessar, Damien; Egly, Julien; Achard, Thierry; Steffanut, Pascal; Bellemin-Laponnaz, Stéphane","Catalyst-free hydrophosphination of alkenes in presence of 2-methyltetrahydrofuran: a green and easy access to a wide range of tertiary phosphines","RSC Advances","2019","9","47","27250","","10.1039/C9RA04896K","","","1.54178","CuKα","","0.1981","0.1413","","","0.3985","0.4363","","","","","","1.093","","","","has coordinates","217891","2020-10-21","18:00:00",""
"7233593","5.6788","0.0004","8.9086","0.0004","16.4624","0.0011","90.613","0.004","92.777","0.003","103.471","0.003","808.76","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 O6 P2 -","- C36 H40 O6 P2 -","- C36 H40 O6 P2 -","1","0.5","","Bissessar, Damien; Egly, Julien; Achard, Thierry; Steffanut, Pascal; Bellemin-Laponnaz, Stéphane","Catalyst-free hydrophosphination of alkenes in presence of 2-methyltetrahydrofuran: a green and easy access to a wide range of tertiary phosphines","RSC Advances","2019","9","47","27250","","10.1039/C9RA04896K","","","0.71073","MoKα","","0.2133","0.1689","","","0.4599","0.4923","","","","","","1.847","","","","has coordinates","217891","2020-10-21","18:00:00",""
"7233594","14.878","0.007","12.149","0.006","27.262","0.012","90","","96.052","0.012","90","","4900","4","100","1","100","","","","","","","","synthetized by authors","4","C 1 2/c 1","-C 2yc","15","","2-(4-(4-Methoxyphenyl)-3-methyl-1-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-ylidene)malononitrile'","","- C30 H19 N5 O -","- C30 H19 N5 O -","- C240 H152 N40 O8 -","8","1","","Orrego-Hernández, Jessica; Lizarazo, Carolina; Cobo, Justo; Portilla, Jaime","Pyrazolo-fused 4-azafluorenones as key reagents for the synthesis of fluorescent dicyanovinylidene-substituted derivatives","RSC Advances","2019","9","47","27318","","10.1039/C9RA04682H","","","0.71073","MoKα","","0.09","0.0628","","","0.1251","0.1339","","","","","","1.121","","","","has coordinates","217892","2020-10-21","18:00:00",""
"7233613","10.0281","0.0006","10.0845","0.0005","13.1425","0.0007","75.763","0.005","68.657","0.005","65.46","0.005","1119.04","0.12","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H22 Ni3 O20 -","- C36 H44 Ni6 O40 -","2","1","","Zhai, Zhi-Min; Yang, Xiao-Gang; Yang, Zhao-Tong; Lu, Xiao-Min; Ma, Lu-Fang","Trinuclear Ni(ii) oriented highly dense packing and π-conjugation degree of metal‒organic frameworks for efficient water oxidation","CrystEngComm","2019","21","39","5862","","10.1039/C9CE00944B","","x-ray","0.71073","MoKα","","0.0568","0.0507","","","0.1367","0.1451","","","","","","1.049","","","","has coordinates","223569","2020-10-21","18:00:00",""
"7233614","6.96425","0.00019","7.8107","0.0002","23.7211","0.0007","90","","98.44","0.003","90","","1276.35","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O5 -","- C11 H16 N2 O5 -","- C44 H64 N8 O20 -","4","1","","Croitor, Lilia; Petric, Mihaela F.; Szerb, Elisabeta I.; Vlase, Gabriela; Bourosh, Paulina N.; Chumakov, Yurii M.; Crisan, Manuela E.","The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid‒base multicomponent systems","CrystEngComm","2019","21","40","6038","","10.1039/C9CE01239G","","","0.71073","MoKα","","0.061","0.0485","","","0.142","0.1548","","","","","","1.007","","","","has coordinates","223627","2020-10-21","18:00:00",""
"7233619","4.8518","0.0003","8.1747","0.0005","6.8142","0.0004","90","","105.468","0.001","90","","260.48","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H2 O6 P2 Ti -","- H2 O6 P2 Ti -","- H4 O12 P4 Ti2 -","2","0.5","","Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang","Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework","CrystEngComm","2019","21","39","5867","","10.1039/C9CE01007F","","","0.71073","MoKα","","0.0249","0.0233","","","0.0672","0.0681","","","","","","1.16","","","","has coordinates","223565","2020-10-21","18:00:00",""
"7233620","9.2617","0.0004","17.7294","0.0009","11.9398","0.0005","90","","100.901","0.002","90","","1925.19","0.15","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Xie, Peizhong; Wo, Xiangyang; Yang, Xiaobo; Cai, Xinying; Li, Shuangshuang; Gao, Cuiqing; Fu, Weishan; Sun, Zuolian; Loh, Teck-Peng","Calcium-catalyzed regioselective dehydrative cross-coupling of propargylic alcohols with 1,3-dicarbonyl compounds","Green Chemistry","2019","21","19","5207","","10.1039/C9GC02635E","","","0.71073","MoKα","","0.0807","0.0642","","","0.1117","0.1218","","","","","","1.024","","","","has coordinates,has disorder","224611","2020-10-21","18:00:00",""
"7233621","11.367","0.0007","15.8302","0.001","11.4198","0.0007","90","","114.025","0.002","90","","1876.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Xie, Peizhong; Wo, Xiangyang; Yang, Xiaobo; Cai, Xinying; Li, Shuangshuang; Gao, Cuiqing; Fu, Weishan; Sun, Zuolian; Loh, Teck-Peng","Calcium-catalyzed regioselective dehydrative cross-coupling of propargylic alcohols with 1,3-dicarbonyl compounds","Green Chemistry","2019","21","19","5207","","10.1039/C9GC02635E","","","1.34139","GaKα","","0.044","0.04","","","0.1061","0.1103","","","","","","1.042","","","","has coordinates","224611","2020-10-21","18:00:00",""
"7233622","9.8205","0.0007","10.1704","0.0009","24.3671","0.0019","91.834","0.007","92.224","0.006","97.271","0.006","2410.7","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 B N2 P -","- C22 H42 B N2 P -","- C88 H168 B4 N8 P4 -","4","2","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.1033","0.0611","","","0.1495","0.1692","","","","","","1.007","","","","has coordinates","217955","2020-10-21","18:00:00",""
"7233623","9.685","0.0012","39.588","0.004","13.4734","0.0014","90","","91.441","0.009","90","","5164.2","1","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 B N2 O2 P -","- C23 H42 B N2 O2 P -","- C184 H336 B8 N16 O16 P8 -","8","2","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.1463","0.0976","","","0.2713","0.3189","","","","","","1.052","","","","has coordinates","217955","2020-10-21","18:00:00",""
"7233624","8.0693","0.0003","9.6703","0.0003","18.1095","0.0006","99.245","0.003","93.689","0.003","113.906","0.003","1261.93","0.08","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H46 B N2 O2 P -","- C21 H46 B N2 O2 P -","- C42 H92 B2 N4 O4 P2 -","2","1","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.0508","0.0423","","","0.1102","0.1159","","","","","","1.031","","","","has coordinates","217955","2020-10-21","18:00:00",""
"7233625","10.285","0.001","10.3928","0.001","11.6466","0.0015","103.37","0.009","96.366","0.009","91.47","0.008","1202","0.2","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 B N2 P -","- C24 H38 B N2 P -","- C48 H76 B2 N4 P2 -","2","1","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.0412","0.0342","","","0.0857","0.0898","","","","","","1.023","","","","has coordinates","217955","2020-10-21","18:00:00",""
"7233626","3.45878","0.00005","3.45878","0.00005","21.201","0.0005","90","","90","","120","","219.651","0.007","573.15","","573.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.032","0.0297","","0.0351","0.0349","","","0.0462","1.46","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233627","3.4384","0.00008","3.4384","0.00008","21.0431","0.0006","90","","90","","120","","215.453","0.009","291.15","","291.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.0333","0.0311","","0.0414","0.0413","","","0.052","2.04","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233628","3.48717","0.00007","3.48717","0.00007","21.3635","0.0008","90","","90","","120","","224.983","0.011","973.15","","973.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.0414","0.0324","","0.0347","0.034","","","0.0464","1.31","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233629","3.43273","0.00009","3.43273","0.00009","21.0014","0.0009","90","","90","","120","","214.318","0.012","293.15","","293.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","x-ray","1.5406","CuKα","","0.0428","0.0405","","0.0505","0.0504","","","0.066","3.35","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233630","3.47973","0.00006","3.47973","0.00006","21.324","0.0007","90","","90","","120","","223.61","0.009","873.15","","873.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.0352","0.0312","","0.0355","0.035","","","0.0438","1.33","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233657","18.4224","0.0008","16.1333","0.0009","21.6118","0.0012","90","","103.12","0.005","90","","6255.7","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 Gd N O7 S2 -","- C28 H22 F6 Gd N O7 S2 -","- C224 H176 F48 Gd8 N8 O56 S16 -","8","1","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","Improved luminescence properties by the self-assembly of lanthanide compounds with a 1-D chain structure for the sensing of CH3COOH and toxic HS− anions","CrystEngComm","2019","21","39","5965","","10.1039/C9CE01077G","","","0.71073","MoKα","","0.0882","0.0602","","","0.1442","0.1567","","","","","","1.114","","","","has coordinates","223571","2020-10-21","18:00:00",""
"7233697","11.9203","0.0007","19.9475","0.0011","7.7761","0.0004","90","","103.949","0.003","90","","1794.48","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination compound","","","- C13 H12 N6 O6 Pb S -","- C13 H12 N6 O6 Pb S -","- C52 H48 N24 O24 Pb4 S4 -","4","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0252","0.0214","","","0.0504","0.0523","","","","","","1.025","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233698","37.25","0.005","5.0731","0.0006","22.594","0.003","90","","110.797","0.014","90","","3991.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination Compound","","","- C19 H15 N5 O3 Pb S -","- C19 H15 N5 O3 Pb S -","- C152 H120 N40 O24 Pb8 S8 -","8","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0378","0.0287","","","0.0555","0.0582","","","","","","1.042","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233699","24.2963","0.0006","10.0731","0.0003","13.8796","0.0004","90","","111.106","0.001","90","","3169","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Co N14 O10 S2 -","- C20 H30 Co N14 O10 S2 -","- C80 H120 Co4 N56 O40 S8 -","4","0.5","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations","RSC Advances","2019","9","48","28153","","10.1039/C9RA04303A","","x-ray","1.34139","GaKα","","0.0531","0.0426","","","0.1057","0.1122","","","","","","1.026","","","","has coordinates","218063","2020-10-21","18:00:00",""
"7233700","10.1245","0.0003","15.8382","0.0004","21.6268","0.0006","90","","102.018","0.001","90","","3391.93","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N14 O7 -","- C18 H18 Cu N14 O7 -","- C72 H72 Cu4 N56 O28 -","4","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations","RSC Advances","2019","9","48","28153","","10.1039/C9RA04303A","","x-ray","1.34139","GaKα","","0.0721","0.0677","","","0.2067","0.211","","","","","","1.103","","","","has coordinates,has disorder","218063","2020-10-21","18:00:00",""
"7233701","9.6118","0.0005","11.7609","0.0006","14.1181","0.0008","95.139","0.003","91.02","0.003","113.356","0.002","1456.81","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N28 Ni2 O14 -","- C32 H32 N28 Ni2 O14 -","- C32 H32 N28 Ni2 O14 -","1","0.5","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations","RSC Advances","2019","9","48","28153","","10.1039/C9RA04303A","","x-ray","1.34139","GaKα","","0.0689","0.0554","","","0.1483","0.1569","","","","","","1.045","","","","has coordinates","218063","2020-10-21","18:00:00",""
"7233723","10.1159","0.0005","13.148","0.0005","16.2911","0.0006","80.81","0.003","84.854","0.004","68.526","0.004","1989.34","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Schaniel, Dominik; Casaretto, Nicolas; Bendeif, El-Eulmi; Woike, Theo; Gallien, Anna K. E.; Klüfers, Peter; Kutniewska, Sylwia E.; Kamiński, Radosław; Bouchez, Guillaume; Boukheddaden, Kamel; Pillet, Sébastien","Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds","CrystEngComm","2019","21","38","5804","","10.1039/C9CE01119F","","","0.71073","MoKα","","0.0425","0.0337","","","0.0719","0.077","","","","","","1.083","","","","has coordinates,has disorder","223728","2020-10-21","18:00:00",""
"7233724","3.789","0.0002","12.3018","0.0009","13.8689","0.0009","91.145","0.006","91.064","0.005","92.337","0.005","645.66","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-methylpyridinium tetrabromosemiquinonate acetone solvate","","- C21 H9 Br8 N2 O5 -","- C21 H9 Br8 N2 O5 -","- C21 H9 Br8 N2 O5 -","1","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0373","0.0344","","","","0.094","","","","","","1.062","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233725","7.17","0.0001","15.3896","0.0003","11.7282","0.0002","90","","101.627","0.002","90","","1267.57","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl4 N2 O2 -","- C11 H7 Cl4 N2 O2 -","- C44 H28 Cl16 N8 O8 -","4","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0466","0.0433","","","","0.1279","","","","","","1.071","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233726","7.1294","0.0004","9.5042","0.0008","11.0035","0.0009","106.258","0.007","91.624","0.006","106.085","0.006","683.2","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C24 H18 Cl8 N4 O4 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.056","0.0521","","","","0.1619","","","","","","1.072","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233727","18.7356","0.0012","7.1485","0.0008","21.1647","0.0018","90","","102.602","0.008","90","","2766.3","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C96 H72 Cl32 N16 O16 -","8","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0871","0.0683","","","","0.2296","","","","","","1.101","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233728","9.6014","0.0005","10.0218","0.0006","10.7402","0.0006","66.219","0.005","72.013","0.005","89.522","0.005","891.44","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl6 Cu0 N2 O3 -","- C15 H9 Cl6 N2 O3 -","- C30 H18 Cl12 N4 O6 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0597","0.0574","","","","0.177","","","","","","1.07","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233729","9.5672","0.0005","10.4858","0.0006","18.7361","0.0009","82.1","0.004","77.722","0.004","72.784","0.005","1748.72","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Cl10 N2 O9 -","- C31 H20 Cl10 N2 O9 -","- C62 H40 Cl20 N4 O18 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0742","0.0637","","","","0.1969","","","","","","1.054","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233730","18.5984","0.0005","18.6075","0.0005","3.9545","0.0001","90","","90","","90","","1368.53","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H7 Br4 N2 O2 -","- C11 H7 Br4 N2 O2 -","- C44 H28 Br16 N8 O8 -","4","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0254","0.0243","","","","0.0641","","","","","","1.049","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233731","4.8349","0.0003","5.364","0.0003","16.1843","0.001","81.706","0.002","89.469","0.003","86.953","0.003","414.75","0.04","147","2","147","2","","","","","","","","3","P 1","P 1","1","(S,S,S)-arabitol monocaprate","(2S,3S,4S)-2,3,4,5-tetrahydroxypentyl decanoate","","- C15 H30 O6 -","- C15 H30 O6 -","- C15 H30 O6 -","1","1","","Manhas, Sanjay; Lin, Yu Chen; Wang, Grace; Kyne, Luke T.; Taylor, Mark S.","Boronic acid-promoted site-selective Fischer esterifications of sugar alcohols","Green Chemistry","2019","21","19","5363","","10.1039/C9GC00901A","","","1.54178","CuKα","","0.0331","0.0328","","","0.0849","0.0851","","","","","","1.05","","","","has coordinates","224610","2020-10-21","18:00:00",""
"7233732","21.982","0.003","21.982","0.003","7.5974","0.0002","90","","90","","90","","3671.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","","bis(tetrakis(Pyridine)-silver(I)) octakis(bis(pyridine)-silver(i)) decapermanganate","","- C60 H60 Ag5 Mn5 N12 O20 -","- C60 H60 Ag5 Mn5 N12 O20 -","- C120 H120 Ag10 Mn10 N24 O40 -","2","0.25","","Kovács, Gréta Bettina; May, Nóra V.; Bombicz, Petra Alexandra; Klébert, Szilvia; Németh, Péter; Menyhárd, Alfréd; Novodárszki, Gyula; Petrusevski, Vladimir; Franguelli, Fernanda Paiva; Magyari, József; Béres, Kende; Szilágyi, Imre Miklós; Kótai, László","An unknown component of a selective and mild oxidant: structure and oxidative ability of a double salt-type complex having κ1O-coordinated permanganate anions and three- and four-fold coordinated silver cations","RSC Advances","2019","9","49","28387","","10.1039/C9RA03230D","","","0.71073","MoKα","","0.0441","0.0367","","","0.0655","0.0675","","","","","","1.08","","","","has coordinates","218120","2020-10-21","18:00:00",""
"7233753","10.0899","0.0007","7.744","0.0005","13.7323","0.0009","90","","110.922","0.002","90","","1002.24","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C16 H16 N40 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.043","0.0367","","","0.0942","0.0978","","","","","","1.047","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233754","18.7451","0.0009","7.3716","0.0004","14.7077","0.0006","90","","110.501","0.001","90","","1903.61","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0597","0.0479","","","0.1314","0.1393","","","","","","1.038","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233755","9.0312","0.0004","18.6286","0.0007","6.5567","0.0003","90","","96.737","0.002","90","","1095.47","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N11 O4 -","- C4 H11 N11 O4 -","- C16 H44 N44 O16 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0634","0.0495","","","0.1327","0.1411","","","","","","1.062","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233756","14.26","0.002","4.9236","0.0007","17.854","0.002","90","","103.382","0.004","90","","1219.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.069","0.044","","","0.1081","0.1201","","","","","","1.041","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233757","14.9662","0.0007","13.9304","0.0008","13.3293","0.0005","90","","96.927","0.004","90","","2758.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N4 O4 Zn -","- C14 H8 N4 O4 Zn -","- C112 H64 N32 O32 Zn8 -","8","1","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.7107","MoKα","","0.0456","0.0349","","","0.0794","0.085","","","","","","1.049","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233758","4.913","0.001","13.234","0.003","10.065","0.002","90","","98.83","0.03","90","","646.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd N4 O4 -","- C14 H8 Cd N4 O4 -","- C28 H16 Cd2 N8 O8 -","2","0.5","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.71073","MoKα","","0.0218","0.0187","","","0.0424","0.0436","","","","","","1.131","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233759","14.251","0.002","13.399","0.002","14.6369","0.0019","90","","93.001","0.011","90","","2791.1","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","0.71073","MoKα","","0.0616","0.0324","","","0.0699","0.074","","","","","","0.827","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233760","13.5518","0.0004","13.9161","0.0004","14.8283","0.0004","90","","90.716","0.003","90","","2796.22","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C64 H40 Cu4 N16 O16 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0734","0.0593","","","0.1684","0.1772","","","","","","1.062","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233761","13.7136","0.0004","13.227","0.0005","15.1795","0.0005","90","","93.415","0.003","90","","2748.52","0.16","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Cu2 N8 O9 -","- C33 H24 Cu2 N8 O9 -","- C66 H48 Cu4 N16 O18 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0593","0.044","","","0.1121","0.1166","","","","","","0.963","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233762","13.8663","0.0004","13.235","0.0004","15.0241","0.0004","90","","93.199","0.002","90","","2752.93","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0725","0.0556","","","0.1906","0.1966","","","","","","1.122","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233763","14.5493","0.0003","11.93948","0.00014","14.1517","0.0003","90","","93.6939","0.0005","90","","2453.2","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C64 H40 Cu4 N16 O20 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","powder diffraction","","1.5406","","","","","","","","","","","5.08","","","","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233764","18.5772","0.0013","6.9751","0.0005","19.5651","0.0014","90","","90.586","0.002","90","","2535.1","0.3","283","2","283.47","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N2 O4 -","- C31 H24 N2 O4 -","- C124 H96 N8 O16 -","4","1","","Zhou, Yuanyuan; Chen, Xianxiao; Ling, Xiangxiang; Rao, Weidong","Catalyst- and additive-free Baeyer‒Villiger-type oxidation of α-iodocyclopentenones to α-pyrones: using air as the oxidant","Green Chemistry","2019","21","20","5611","","10.1039/C9GC02725D","","","0.71073","MoKα","","0.1699","0.0758","","","0.1065","0.1311","","","","","","1.063","","","","has coordinates","224614","2020-10-21","18:00:00",""
"7233765","10.926","0.002","21.31","0.004","8.9155","0.0018","90","","94.02","0.03","90","","2070.7","0.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","1","","Aziz, Marian N.; Panda, Siva S.; Shalaby, ElSayed M.; Fawzy, Nehmedo G.; Girgis, Adel S.","Facile synthetic approach towards vasorelaxant active 4-hydroxyquinazoline-4-carboxamides","RSC Advances","2019","9","49","28534","","10.1039/C9RA04321G","","","0.7","MoKα","","0.0669","0.0664","","0.1848","0.1847","0.1847","","","","","","1.1993","","","","has coordinates","218151","2020-10-21","18:00:00",""
"7233766","17.5","0.004","13.189","0.003","17.709","0.004","90","","117.61","0.03","90","","3621.9","1.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C160 H168 N24 O24 -","8","2","","Aziz, Marian N.; Panda, Siva S.; Shalaby, ElSayed M.; Fawzy, Nehmedo G.; Girgis, Adel S.","Facile synthetic approach towards vasorelaxant active 4-hydroxyquinazoline-4-carboxamides","RSC Advances","2019","9","49","28534","","10.1039/C9RA04321G","","","0.7","MoKα","","0.0473","0.0448","","0.1108","0.1098","0.1098","","","","","","1.1752","","","","has coordinates","218151","2020-10-21","18:00:00",""
"7233787","7.5311","0.0007","8.096","0.0009","11.1845","0.0012","72.496","0.01","83.728","0.009","73.792","0.017","624.28","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-[(2,6-dimethylphenyl)amino]benzoic acid","2-[(2,6-dimethylphenyl)amino]benzoic acid","","- C7.5 H7.5 N0.5 O -","- C7.5 H7.5 N0.5 O -","- C30 H30 N2 O4 -","4","2","","Salbego, Paulo R. S.; Orlando, Tainára; Martins, Marcos A. P.","Comment on ‘Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid’ by R. Hu, Y. Zhoujin, M. Liu, M. Zhang, S. Parkin, P. Zhou, J. Wang, F. Yu and S. Long, RSC Adv., 2018, 8, 15459","RSC Advances","2019","9","48","28195","","10.1039/C8RA07188H","","x-ray","0.71069","MoKα","","0.037","0.0366","","","0.1068","0.1071","","","","","","1.12","","","","has coordinates","218205","2020-10-21","18:00:00",""
"7233815","8.2278","0.0006","9.2785","0.0008","11.296","0.0011","83.923","0.007","78.995","0.007","84.363","0.006","839.05","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Ag N2 O2 -","- C20 H14 Ag N2 O2 -","- C40 H28 Ag2 N4 O4 -","2","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0434","0.0377","","","0.0874","0.0907","","","","","","1.061","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233816","13.8004","0.0006","17.5129","0.0006","18.766","0.0008","67.675","0.004","76.215","0.004","68.734","0.004","3883.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","1","0.5","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.1123","0.0688","","","0.1516","0.1681","","","","","","1.024","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233817","18.1253","0.0007","19.3124","0.001","10.47","0.0004","90","","112.624","0.001","90","","3382.9","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H34 Ag2 N4 O8 -","- C36 H34 Ag2 N4 O8 -","- C144 H136 Ag8 N16 O32 -","4","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0478","0.0386","","","0.0848","0.0907","","","","","","1.041","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233818","12.357","0.002","13.694","0.002","14.489","0.002","90","","99.674","0.003","90","","2416.9","0.6","298.2","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd N2 O7 -","- C17 H14 Cd N2 O7 -","- C68 H56 Cd4 N8 O28 -","4","1","","Liu, Qian-Qian; Yue, Ke-Fen; Weng, Xian-Jun; Wang, Yao-Yu","Luminescence sensing and supercapacitor performances of a new (3,3)-connected Cd-MOF","CrystEngComm","2019","21","41","6186","","10.1039/C9CE01087D","","","0.71073","MoKα","","0.0575","0.0452","","","0.1279","0.1348","","","","","","1.037","","","","has coordinates","223506","2020-10-21","18:00:00",""
"7233819","7.24645","0.00014","17.8507","0.0004","9.27013","0.00018","90","","92.137","0.0016","90","","1198.3","0.04","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[[4-[hydroxymethyl(methyl)amino]phenyl]methylene]propanedinitrile","","- C13 H13 N3 O -","- C13.0027 H13.0072 N3.0009 O1.0009 -","- C52.0108 H52.0288 N12.0036 O4.0036 -","4","1","","Percino, M. Judith; Cerón, Margarita; Venkatesan, Perumal; Pérez-Gutiérrez, Enrique; Santos, Pilar; Ceballos, Paulina; Castillo, Armando E.; Gordillo-Guerra, Paola; Anandhan, Karnambaram; Barbosa-García, Oracio; Bernal, Wilson; Thamotharan, Subbiah","A low molecular weight OLED material: 2-(4-((2-hydroxyethyl)(methyl)amino)benzylidene)malononitrile. Synthesis, crystal structure, thin film morphology, spectroscopic characterization and DFT calculations","RSC Advances","2019","9","49","28704","","10.1039/C9RA05425A","","","1.54178","CuKα","","0.0425","0.0344","","","0.0867","0.0935","","","","","","1.023","","","","has coordinates,has disorder","218245","2020-10-21","18:00:00",""
"7233842","7.909","0.003","17.113","0.006","8.049","0.003","90","","90","","90","","1089.4","0.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C H8 Cl N3 O -","- C H8 Cl N3 O -","- C8 H64 Cl8 N24 O8 -","8","1","","Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie","CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups","CrystEngComm","2019","21","40","6072","","10.1039/C9CE01350D","","","0.71073","MoKα","","","0.0448","","","0.1213","0.1396","","","","","","1.049","","","","has coordinates","223630","2020-10-21","18:00:00",""
"7233843","12.853","0.008","6.005","0.004","32.64","0.02","90","","101.13","0.04","90","","2472","3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 F17 O2 P -","- C23 H16 F17 O2 P -","- C92 H64 F68 O8 P4 -","4","1","","Begum, Farzana; Ikram, Muhammad; Twamley, Brendan; Baker, Robert J.","Perfluorinated phosphine and hybrid P‒O ligands for Pd catalysed C‒C bond forming reactions in solution and on Teflon supports","RSC Advances","2019","9","50","28936","","10.1039/C9RA04863D","","x-ray","0.71073","MoKα","","0.1019","0.0565","","","0.1126","0.1302","","","","","","1.03","","","","has coordinates","218289","2020-10-21","18:00:00",""
"7233844","8.3805","0.0017","4.9153","0.001","23.694","0.005","90","","98.21","0.03","90","","966","0.4","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.1729","0.1342","","","0.2124","0.2317","","","","","","1.237","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233845","9.916","0.002","14.765","0.003","11.093","0.002","90","","90","","90","","1624.1","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cd N10 O10 -","- C5 H16 Cd N10 O10 -","- C20 H64 Cd4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0805","0.0684","","","0.101","0.1054","","","","","","1.289","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233846","9.826","0.002","14.671","0.003","10.946","0.002","90","","90","","90","","1577.9","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Co N10 O10 -","- C5 H16 Co N10 O10 -","- C20 H64 Co4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0396","0.0385","","","0.0937","0.0945","","","","","","1.069","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233847","9.775","0.002","14.662","0.003","11.057","0.002","90","","90","","90","","1584.7","0.5","163","2","163.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 O10 Zn -","- C5 H16 N10 O10 Zn -","- C20 H64 N40 O40 Zn4 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0484","0.0437","","","0.0971","0.1003","","","","","","1.121","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233848","9.6991","0.0019","14.573","0.003","11.082","0.002","90","","90","","90","","1566.4","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 Ni O10 -","- C5 H16 N10 Ni O10 -","- C20 H64 N40 Ni4 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0427","0.04","","","0.0923","0.094","","","","","","1.107","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233849","8.4366","0.0017","9.839","0.002","20.798","0.004","90","","90","","90","","1726.4","0.6","163","2","163.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H18 Fe N10 O13 -","- C5 H18 Fe N10 O13 -","- C20 H72 Fe4 N40 O52 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0395","0.0368","","","0.0864","0.0883","","","","","","1.103","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233875","9.874","0.005","17.314","0.007","19.651","0.014","90","","96.91","0.02","90","","3335","3","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Cl2 N6 Ni2 O12 Pb2 S4 -","- C52 H80 Cl2 N6 Ni2 O12 Pb2 S4 -","- C104 H160 Cl4 N12 Ni4 O24 Pb4 S8 -","2","0.5","","MIRDYA, SAIKAT; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a tetranuclear supramolecule via non-covalent Pb•••Cl tetrel bonding interaction in a hemidirected lead(II) complex with a nickel(II) containing metaloligand","CrystEngComm","2019","","","","","10.1039/C9CE01283D","","","0.71073","MoKα","","0.1159","0.0824","","","0.2367","0.2836","","","","","","1.069","","","","has coordinates","218325","2020-10-21","18:00:00",""
"7233876","8.4912","0.0011","12.7255","0.0016","16.048","0.002","98.133","0.001","91.069","0.001","99.479","0.001","1691.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O6 -","- C40 H30 Cd N4 O6 -","- C80 H60 Cd2 N8 O12 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","","0.71073","MoKα","","0.0422","0.0322","","","0.0903","0.1068","","","","","","1.04","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233877","11.1521","0.0004","12.0285","0.0005","23.5503","0.0007","77.262","0.003","76.994","0.003","76.727","0.003","2947.99","0.19","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 N10 O12 Zn2 -","- C66 H50 N10 O12 Zn2 -","- C132 H100 N20 O24 Zn4 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0395","0.0332","","","0.0872","0.0928","","","","","","1.023","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233878","19.8075","0.0006","6.2207","0.0002","20.4492","0.0006","90","","98.035","0.003","90","","2494.94","0.13","236","50","236","50","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H25 Cd N2 O7 -","- C27 H25 Cd N2 O7 -","- C108 H100 Cd4 N8 O28 -","4","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0337","0.029","","","0.0735","0.0772","","","","","","1.049","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233879","10.7895","0.0004","14.8634","0.0007","10.0794","0.0005","90","","92.246","0.004","90","","1615.18","0.13","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O -","- C18 H17 N5 O -","- C72 H68 N20 O4 -","4","1","","Gambouz, Khadija; Driowya, Mohsine; Loubidi, Mohammed; Tber, Zahira; Allouchi, Hassan; El Kazzouli, Saïd; Akssira, Mohamed; Guillaumet, Gérald","Unusual rearrangement of imidazo[1,5-a]imidazoles and imidazo[1,2-b]pyrazoles into imidazo[1,5-a]pyrimidines and pyrazolo[1,5-a]pyrimidines","RSC Advances","2019","9","50","29051","","10.1039/C9RA04609G","","","0.71073","MoKα","","0.0884","0.0521","","","0.1025","0.1223","","","","","","1.021","","","","has coordinates","218336","2020-10-21","18:00:00",""
"7233910","14.756","0.003","11.5471","0.0019","18.635","0.003","90","","92.357","0.004","90","","3172.5","1","133","2","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0871","0.0409","","","0.076","0.0881","","","","","","0.953","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233911","11.586","0.002","11.339","0.002","12.896","0.003","90","","114.59","0.03","90","","1540.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0667","0.0496","","","0.14","0.1513","","","","","","1.053","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233912","6.9355","0.0014","9.42","0.0019","13.62","0.003","104.22","0.03","98.12","0.03","93.71","0.03","849.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N2 O2 -","- C18 H14 Cl2 N2 O2 -","- C36 H28 Cl4 N4 O4 -","2","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.1433","0.0949","","","0.2673","0.2957","","","","","","1.085","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233913","9.7298","0.0019","10.184","0.002","12.954","0.003","107.11","0.03","104.35","0.03","106.29","0.03","1098.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl2 N3 O2 -","- C23 H21 Cl2 N3 O2 -","- C46 H42 Cl4 N6 O4 -","2","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0982","0.0808","","","0.2479","0.2656","","","","","","1.106","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233914","12.284","0.003","20.468","0.004","7.4983","0.0015","90","","96.21","0.03","90","","1874.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C80 H64 Cl8 N8 O8 -","4","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.1253","0.066","","","0.1016","0.1243","","","","","","1.054","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233915","37.821","0.009","5.6762","0.0013","18.699","0.005","90","","104.084","0.005","90","","3893.6","1.7","133","2","133.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H18 Cl2 N2 O2 S -","- C20 H18 Cl2 N2 O2 S -","- C160 H144 Cl16 N16 O16 S8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0299","0.0273","","","0.0674","0.0687","","","","","","1.03","","","","has coordinates,has disorder","218405","2020-10-21","18:00:00",""
"7233916","19.6861","0.0019","4.7958","0.0004","25.169","0.002","90","","101.404","0.009","90","","2329.3","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Hg N4 O2 -","- C24 H20 Cl2 Hg N4 O2 -","- C96 H80 Cl8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.131","0.098","","","0.2655","0.2862","","","","","","1.066","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233917","17.5323","0.0006","3.8438","0.0001","34.5553","0.001","90","","100.079","0.003","90","","2292.77","0.12","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 Hg N4 O3 -","- C24 H22 Cl2 Hg N4 O3 -","- C96 H88 Cl8 Hg4 N16 O12 -","4","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0559","0.0563","","","","","","1.128","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233918","4.931","0.00014","17.3546","0.0004","28.863","0.0008","90","","91.909","0.002","90","","2468.6","0.11","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 Hg N4 O2 -","- C24 H20 Br2 Hg N4 O2 -","- C96 H80 Br8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.104","0.0833","","","0.1248","0.1302","","","","","","1.361","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233919","8.9772","0.0004","31.7959","0.0011","4.7115","0.0002","90","","90","","90","","1344.84","0.09","130","1","130","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Br2 Hg N4 O4 -","- C26 H28 Br2 Hg N4 O4 -","- C52 H56 Br4 Hg2 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0432","0.0383","","","0.097","0.1011","","","","","","1.077","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233920","9.1791","0.0006","32.206","0.002","4.7036","0.0003","90","","90","","90","","1390.49","0.15","100","1","100","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Hg I2 N4 O4 -","- C26 H28 Hg I2 N4 O4 -","- C52 H56 Hg2 I4 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0551","0.0451","","","0.0985","0.1041","","","","","","1.109","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233921","20.496","0.003","20.496","0.003","33.675","0.006","90","","90","","120","","12251","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H55 Cl7 Cu6 N18 O49 -","- C24 H39 Cl7 Cu6 N18 O49 -","- C144 H234 Cl42 Cu36 N108 O294 -","6","0.333333","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1521","0.1021","","","0.2846","0.3377","","","","","","1.049","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7233922","20.811","0.003","20.811","0.003","22.62","0.003","90","","90","","120","","8484","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C48 H84 Cl8 Cu12 N36 O64 -","- C48 H36 Cl8 Cu12 N36 O64 -","- C96 H72 Cl16 Cu24 N72 O128 -","2","0.166667","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1125","0.0798","","","0.2308","0.2547","","","","","","1.041","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7233923","35.294","0.003","20.8571","0.0017","23.37","0.003","90","","98.149","0.005","90","","17030","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H113 Cl13 Cu14 N42 O95 -","- C56 H45 Cl13 Cu14 N42 O95 -","- C224 H180 Cl52 Cu56 N168 O380 -","4","0.5","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1768","0.1198","","","0.2663","0.2873","","","","","","1.096","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7233924","18.8646","0.0007","5.4019","0.0002","20.0357","0.0006","90","","90.614","0.003","90","","2041.61","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N6 O -","- C20 H28 N6 O -","- C80 H112 N24 O4 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Nizalapur, Shashidhar; Yu, Tsz Tin; Pulya, Sravani; Ghosh, Balaram; Murugesan, Sankaranarayanan; Kumar, Naresh; Chandra Sekhar, Kondapalli Venkata Gowri","Design, synthesis and biological evaluation of 1,2,3-triazole based 2-aminobenzimidazoles as novel inhibitors of LasR dependent quorum sensing in Pseudomonas aeruginosa","RSC Advances","2019","9","50","29273","","10.1039/C9RA05059K","","x-ray","1.54184","CuKα","","0.0834","0.0671","","","0.1867","0.2036","","","","","","1.063","","","","has coordinates","218414","2020-10-21","18:00:00",""
"7233970","9.9572","0.0002","26.9337","0.0007","13.2241","0.0003","90","","101.326","0.001","90","","3477.43","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H50 Mn2 N8 O20 -","- C80 H50 Mn2 N8 O20 -","- C160 H100 Mn4 N16 O40 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0656","0.042","","","0.1034","0.1157","","","","","","1.023","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233971","9.4735","0.0003","10.9015","0.0003","11.9884","0.0004","103.023","0.001","100.467","0.001","105.787","0.001","1121.1","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N2 O9 Zn -","- C26 H15 N2 O9 Zn -","- C52 H30 N4 O18 Zn2 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0348","0.0307","","","0.0797","0.0826","","","","","","1.072","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233972","11.2403","0.0004","11.5984","0.0005","11.8532","0.0005","90.988","0.001","93.671","0.001","100.685","0.001","1514.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cu2 N2 O15 -","- C28 H20 Cu2 N2 O15 -","- C56 H40 Cu4 N4 O30 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0566","0.0385","","","0.0968","0.1095","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233973","11.8519","0.0003","11.7713","0.0003","23.898","0.0005","90","","91.938","0.001","90","","3332.16","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H44 Cd4 N8 O19 -","- C80 H44 Cd4 N8 O19 -","- C160 H88 Cd8 N16 O38 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0386","0.0287","","","0.0696","0.0746","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233974","27.576","0.003","52.262","0.005","7.423","0.0007","90","","90","","90","","10697.9","1.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Co2 N2 O10 -","- C28 H20 Co2 N2 O10 -","- C448 H320 Co32 N32 O160 -","16","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0819","0.0547","","","0.1307","0.1443","","","","","","1.016","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233975","13.6058","0.0004","24.4866","0.0007","11.6606","0.0003","90","","90","","90","","3884.84","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H72 N8 Ni4 O31 -","- C80 H72 N8 Ni4 O31 -","- C160 H144 N16 Ni8 O62 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0407","0.0312","","","0.0678","0.0715","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233976","10.322","0.0006","11.3221","0.0006","19.1686","0.001","100.686","0.002","100.863","0.002","102.414","0.002","2088.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N4 Ni2 O12 -","- C40 H36 N4 Ni2 O12 -","- C80 H72 N8 Ni4 O24 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0533","0.0383","","","0.0911","0.0975","","","","","","1.042","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233977","31.2268","0.0009","7.9018","0.0002","21.6843","0.0007","90","","100.807","0.001","90","","5255.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Cd N4 O25 -","- C52 H44 Cd N4 O25 -","- C208 H176 Cd4 N16 O100 -","4","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0415","0.0331","","","0.0794","0.0842","","","","","","1.032","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233978","9.431","0.004","13.316","0.004","18.54","0.007","90","","91.891","0.013","90","","2327","1.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd Cl N4 O4 -","- C25 H20 Cd Cl N4 O4 -","- C100 H80 Cd4 Cl4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0312","0.0293","","","0.074","0.0754","","","","","","1.099","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233979","6.972","0.003","17.311","0.009","17.837","0.008","90","","93.913","0.014","90","","2147.8","1.7","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd N4 O4 -","- C25 H19 Cd N4 O4 -","- C100 H76 Cd4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0522","0.0425","","","0.0859","0.0892","","","","","","1.107","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233980","12.467","0.0001","16.3496","0.0001","21.3494","0.0001","90","","90","","90","","4351.66","0.05","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Cd N6 O12 -","- C40 H46 Cd N6 O12 -","- C160 H184 Cd4 N24 O48 -","4","0.5","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","x-ray","0.7","synchrotron","","0.0608","0.0596","","","0.1896","0.1914","","","","","","1.051","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233981","15.2047","0.0006","18.4315","0.0006","28.6082","0.0011","101.926","0.003","96.44","0.003","98.138","0.003","7682.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C97.25 H99.25 N12.5 O18.96 Zn4 -","- C97.25 H99.25 N12.5 O18.968 Zn4 -","- C194.5 H198.5 N25 O37.936 Zn8 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.1291","0.1061","","","0.3141","0.3374","","","","","","1.247","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233982","11.593","0.0006","45.238","0.002","23.3964","0.0011","90","","91.12","0.002","90","","12267.8","1","120","2","120.24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H96 N12 O19 Zn4 -","- C97 H96 N12 O19 Zn4 -","- C388 H384 N48 O76 Zn16 -","4","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.71073","MoKα","","0.0839","0.0611","","","0.182","0.1985","","","","","","1.062","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233983","19.551","0.001","24.348","0.002","19.579","0.001","90","","98.16","0.02","90","","9225.8","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H84 N8 O30 Zr6 -","- C104 H84 N8 O30 Zr6 -","- C208 H168 N16 O60 Zr12 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.3108","0.1472","","","0.3325","0.4094","","","","","","1.077","","","","has coordinates","223559","2020-10-21","18:00:00",""
"7233984","8.6867","0.0004","15.1019","0.0006","9.9125","0.0005","90","","105.478","0.005","90","","1253.22","0.1","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C48 H56 O28 -","4","1","","Yang, Jinyue; Hong, Baohong; Wang, Na; Li, Xin; Huang, Xin; Bao, Ying; Xie, Chuang; Hao, Hongxun","Thermodynamics and molecular mechanism of the formation of the cocrystals of p-hydroxybenzoic acid and glutaric acid","CrystEngComm","2019","21","42","6374","","10.1039/C9CE01092K","","x-ray","0.71073","MoKα","","0.0723","0.0486","","","0.1254","0.1402","","","","","","1.044","","","","has coordinates,has disorder","223556","2020-10-21","18:00:00",""
"7233985","10.2","0.0009","18.4716","0.0017","7.3285","0.0007","90","","96.769","0.003","90","","1371.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br N3 -","- C12 H18 Br N3 -","- C48 H72 Br4 N12 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0467","0.0404","","","0.1063","0.1102","","","","","","1.087","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7233986","6.4588","0.0012","8.1981","0.0017","8.3521","0.0017","106.039","0.01","95.947","0.011","92.951","0.01","421.25","0.15","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0582","0.0428","","","0.1005","0.1109","","","","","","1.08","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7233987","9.7552","0.0007","9.5594","0.0008","12.4421","0.001","90","","91.316","0.002","90","","1159.97","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C56 H36 F12 N8 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0594","0.0553","","","0.1425","0.1469","","","","","","1.094","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7233988","18.11","0.003","10.9556","0.0018","17.217","0.003","90","","109.622","0.005","90","","3217.6","0.9","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Br N3 O -","- C15 H20 Br N3 O -","- C120 H160 Br8 N24 O8 -","8","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0573","0.0387","","","0.0972","0.1101","","","","","","1.068","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7233989","22.62","0.005","3.966","0.0008","12.201","0.003","90","","90","","90","","1094.6","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0338","0.0266","","","0.0656","0.0693","","","","","","0.957","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7233990","8.4862","0.0009","10.3569","0.0012","10.6667","0.0012","117.555","0.003","93.859","0.004","95.336","0.004","821.07","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 F N3 O -","- C15 H18 Cl2 F N3 O -","- C30 H36 Cl4 F2 N6 O2 -","2","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0446","0.0384","","","0.1006","0.1076","","","","","","1.051","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7233991","6.9895","0.0002","8.6676","0.0003","13.6291","0.0005","76.606","0.002","81.336","0.002","79.948","0.002","785.64","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N3 O0 -","- C18 H20 Cl N3 -","- C36 H40 Cl2 N6 -","2","1","","Zhang, Yan; Wang, Yunyun; Zhao, Yuxun; Gu, Wen; Zhu, Yongqiang; Wang, Shifa","Novel camphor-based pyrimidine derivatives induced cancer cell death through a ROS-mediated mitochondrial apoptosis pathway","RSC Advances","2019","9","51","29711","","10.1039/C9RA05900H","","","0.71073","MoKα","","0.1118","0.0679","","","0.1356","0.1543","","","","","","1.013","","","","has coordinates","218570","2020-10-21","18:00:00",""
"7233992","14.455","0.0004","14.4844","0.0006","14.9892","0.0004","90","","95.182","0.003","90","","3125.49","0.18","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis(betaine)bis(bis(trifluoromethane)sulfonimide)dicuprate(II) bis(trifluoromethane)sulfonimide","","- C28 H44 Cu2 F24 N8 O24 S8 -","- C28 H44 Cu2 F24 N8 O24 S8 -","- C56 H88 Cu4 F48 N16 O48 S16 -","2","0.5","","Richter, Janine; Ruck, Michael","Dissolution of metal oxides in task-specific ionic liquid","RSC Advances","2019","9","51","29699","","10.1039/C9RA06423K","","x-ray","1.54184","CuKα","","0.0661","0.0491","","","0.1166","0.1289","","","","","","1.016","","","","has coordinates","218571","2020-10-21","18:00:00",""
"7234015","24.9038","0.001","33.4493","0.0012","18.3388","0.0007","90","","90","","90","","15276.5","1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C40 H58 Cu2 N6 O17 -","- C22 H10 Cu2 O10 -","- C264 H120 Cu24 O120 -","12","1.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","1.54178","CuKα","","0.047","0.0447","","","0.1253","0.1285","","","","","","1.004","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234016","25.3148","0.0004","25.3148","0.0004","25.3148","0.0004","90","","90","","90","","16222.7","0.4","150","2","150","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C44 H65 Cu2 N7 O18 -","- C23 H12 Cu2 O11 -","- C276 H144 Cu24 O132 -","12","0.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.147","0.1166","","","0.3343","0.3882","","","","","","1.021","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234017","18.5762","0.0005","18.5762","0.0005","23.8042","0.0016","90","","90","","120","","7113.7","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C37 H52 Cu2 N6 O16 -","- C22 H13 Cu2 N O10 -","- C132 H78 Cu12 N6 O60 -","6","0.25","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.1159","0.0941","","","0.3623","0.417","","","","","","1.089","","","","has coordinates,has disorder","218645","2020-10-21","18:00:00",""
"7234018","7.0897","0.0003","8.0981","0.0005","9.2634","0.0005","67.362","0.005","86.126","0.004","82.729","0.004","486.81","0.05","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Nd O9 -","- C8 H7 Nd O9 -","- C16 H14 Nd2 O18 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0197","0.0178","","","0.0413","0.0422","","","","","","1.102","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234019","8.0013","0.0003","9.0019","0.0003","14.3067","0.0005","90","","90","","90","","1030.47","0.06","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Pr -","- C8 H4 Na O9 Pr -","- C32 H16 Na4 O36 Pr4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0444","0.0462","","","","","","1.079","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234020","16.309","0.0005","10.8889","0.0003","17.4148","0.0006","90","","98.031","0.003","90","","3062.31","0.17","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Tm2 -","- C12 H8 O13 Tm2 -","- C96 H64 O104 Tm16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0261","0.0219","","","0.0449","0.0467","","","","","","1.107","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234021","7.9349","0.0004","8.8716","0.0004","14.1611","0.0007","90","","90","","90","","996.87","0.08","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Eu Na O9 -","- C8 H6 Eu Na O9 -","- C32 H24 Eu4 Na4 O36 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0221","","","0.0432","0.0452","","","","","","1.073","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234022","7.9177","0.0005","8.8354","0.0006","14.1274","0.0008","90","","90","","90","","988.3","0.11","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Tb -","- C8 H6 Na O9 Tb -","- C32 H24 Na4 O36 Tb4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0489","0.0506","","","","","","1.086","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234023","7.086","0.0003","7.9756","0.0003","9.2021","0.0003","67.832","0.003","86.055","0.003","82.82","0.003","477.71","0.03","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 O9 Tb -","- C8 H7 O9 Tb -","- C16 H14 O18 Tb2 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0211","0.0203","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234024","11.713","0.0007","7.9655","0.0004","14.7344","0.001","90","","97.8","0.006","90","","1362","0.14","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Er Na O12 -","- C8 H12 Er Na O12 -","- C32 H48 Er4 Na4 O48 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71","MoKα","","0.0529","0.0446","","","0.1172","0.1269","","","","","","1.092","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234025","16.2968","0.0007","10.8916","0.0005","17.3658","0.0007","90","","97.967","0.004","90","","3052.6","0.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Yb2 -","- C12 H8 O13 Yb2 -","- C96 H64 O104 Yb16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0278","0.022","","","0.0482","0.0507","","","","","","1.099","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234026","8.2692","0.0009","13.9397","0.0014","17.5348","0.0019","102.39","0.002","96.824","0.002","99.046","0.002","1925.1","0.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.1365","0.0614","","","0.1101","0.128","","","","","","0.861","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234027","9.2017","0.0008","13.14","0.0011","17.1774","0.0015","100.435","0.002","97.755","0.002","93.142","0.002","2017.2","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.099","0.0569","","","0.1361","0.1505","","","","","","0.956","","","","has coordinates","223537","2020-10-21","18:00:00",""
"7234028","16.702","0.005","29.879","0.005","18.259","0.005","90","","114.563","0.005","90","","8287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H62 Co3 N15 O13 -","- C81 H62 Co3 N15 O13 -","- C324 H248 Co12 N60 O52 -","4","0.5","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0638","0.046","","","0.1171","0.127","","","","","","1.035","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234029","27.306","0.005","8.903","0.005","28.816","0.005","90","","92.788","0.005","90","","6997","4","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H110 Cu4 N22 O24 -","- C148 H110 Cu4 N22 O24 -","- C296 H220 Cu8 N44 O48 -","2","0.25","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0885","0.0527","","","0.1218","0.1379","","","","","","1.014","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234030","5.11465","0.00004","18.0858","0.0002","8.046","0.00005","90","","90","","90","","744.275","0.011","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","Gd1 K1 Mo2 O8","","","- Gd K Mo2 O8 -","- Gd K Mo2 O8 -","- Gd4 K4 Mo8 O32 -","4","0.5","","Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.","Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)","CrystEngComm","2019","21","42","6460","","10.1039/C9CE01244C","powder diffraction","x-ray","1.78892","CoKα","","0.0349","0.0349","","0.0491","0.0491","","","","1.98","","","","","","","has coordinates","223561","2020-10-21","18:00:00",""
"7234031","8.848","0.0012","8.848","0.0012","24.929","0.005","90","","90","","90","","1951.6","0.5","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H11 Cu N O3 -","- C10 H11 Cu N O3 -","- C80 H88 Cu8 N8 O24 -","8","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0278","0.0276","","","0.0777","0.0779","","","","","","1.056","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234032","7.398","0.0015","10.018","0.002","28.689","0.006","90","","90","","90","","2126.2","0.8","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cu2 N2 O7 -","- C20 H24 Cu2 N2 O7 -","- C80 H96 Cu8 N8 O28 -","4","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0314","0.0289","","","0.0813","0.083","","","","","","1.078","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234033","13.9525","0.0007","6.0895","0.0003","21.6915","0.001","90","","105.412","0.005","90","","1776.72","0.16","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Srivastava, Suman; Thakur, Neha; Singh, Ashutosh; Shukla, Poonam; Maikhuri, Vipin Kumar; Garg, Neha; Prasad, Ashok; Pandey, Rampal","Development of a fused imidazo[1,2-a]pyridine based fluorescent probe for Fe3+ and Hg2+ in aqueous media and HeLa cells","RSC Advances","2019","9","51","29856","","10.1039/C9RA04743C","","x-ray","1.54184","CuKα","","0.052335","0.044024","","","","0.126982","","","","","","1.01017","","","","has coordinates","218659","2020-10-21","18:00:00",""
"7234034","10.205","0.003","27.207","0.007","11.915","0.003","90","","95.979","0.004","90","","3290.2","1.5","293","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd N4 O10 -","- C34 H30 Cd N4 O10 -","- C136 H120 Cd4 N16 O40 -","4","1","","Li, Caiping; Lu, Lu; Wang, Jun; Yang, Qianqian; Ma, Deyun; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Temperature tuned syntheses of two new d10-based Cd(ii) cluster metal‒organic frameworks: luminescence sensing and photocatalytic properties","RSC Advances","2019","9","51","29864","","10.1039/C9RA05167H","","","0.71073","MoKα","","0.0718","0.0492","","","0.1262","0.1507","","","","","","1.047","","","","has coordinates","218660","2020-10-21","18:00:00",""
"7234035","9.8116","0.0009","12.684","0.0012","13.3634","0.0013","94.724","0.003","95.303","0.003","98.275","0.003","1631","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd N4 O10 -","- C34 H30 Cd N4 O10 -","- C68 H60 Cd2 N8 O20 -","2","1","","Li, Caiping; Lu, Lu; Wang, Jun; Yang, Qianqian; Ma, Deyun; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Temperature tuned syntheses of two new d10-based Cd(ii) cluster metal‒organic frameworks: luminescence sensing and photocatalytic properties","RSC Advances","2019","9","51","29864","","10.1039/C9RA05167H","","","0.71073","MoKα","","0.0925","0.0487","","","0.0715","0.0821","","","","","","1.016","","","","has coordinates","218660","2020-10-21","18:00:00",""
"7234149","7.73077","0.00013","25.6327","0.0004","5.93311","0.00008","90","","90","","90","","1175.71","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0317","0.0297","","","0.0777","0.0797","","","","","","1.037","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234150","6.7365","0.0001","20.9912","0.0005","8.5808","0.0002","90","","94.757","0.002","90","","1209.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6.67 N1.33 O1.33 -","- C10 H6.66667 N1.33333 O1.33333 -","- C60 H40 N8 O8 -","6","1.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0595","0.0566","","","0.1601","0.1631","","","","","","1.068","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234151","7.7648","0.0001","25.7822","0.0002","5.89423","0.00005","90","","90","","90","","1179.99","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0798","0.0811","","","","","","1.066","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234152","15.21","0.04","8.42","0.02","20.22","0.05","90","","90","","90","","2590","11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","III","1-naphtyl pyridine-2-carboxylate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","","0.71073","MoKα","","0.1096","0.0991","","","0.2867","0.3057","","","","","","1.168","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234153","25.1342","0.0004","25.1342","0.0004","25.1342","0.0004","90","","90","","90","","15878","0.4","296","2","296.15","","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C8 H20 Cl1.33 Co2.67 N12 O44 Si W12 -","- C8 H20 Cl1.3332 Co2.66667 N12 O44 Si W12 -","- C96 H240 Cl15.9984 Co32 N144 O528 Si12 W144 -","12","0.25","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0261","0.0235","","","0.0547","0.0563","","","","","","1.017","","","","has coordinates","223558","2020-10-21","18:00:00",""
"7234154","12.7994","0.001","13.1541","0.0011","18.1961","0.0015","92.859","0.001","90.22","0.001","95.736","0.001","3044.3","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H36 Cl2 Co3 N18 O49 Si W12 -","- C12 H24 Cl2 Co3 N18 O49 Si W12 -","- C24 H48 Cl4 Co6 N36 O98 Si2 W24 -","2","1","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0597","0.0406","","","0.0851","0.094","","","","","","0.98","","","","has coordinates,has disorder","223558","2020-10-21","18:00:00",""
"7234155","14.734","0.002","13.29","0.002","23.951","0.004","90","","96.966","0.005","90","","4655.3","1.2","256.15","","256.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu1.5 N O8 -","- C14 H8 Cu1.5 N O8 -","- C112 H64 Cu12 N8 O64 -","8","1","","Cheng, JianGuo; Liu, Jiao; Tong, Wen Quan; Wu, Dan; Yang, Fan; Hou, Lei; Wang, Yao-Yu","Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying the unique selective CO2 gas adsorption and Magnetic properties†","CrystEngComm","2019","","","","","10.1039/C9CE01374A","","","0.71073","MoKα","","0.0404","0.0337","","","0.1042","0.1075","","","","","","1.13","","","","has coordinates,has disorder","218839","2020-10-21","18:00:00",""
"7234156","8.2547","0.0004","10.948","0.0005","11.4196","0.0005","99.155","0.001","97.299","0.001","111.973","0.001","925.03","0.07","298","2","297.98","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 Co4 N3 O24 -","- C30 H31 Co4 N3 O24 -","- C30 H31 Co4 N3 O24 -","1","0.5","","Cheng, JianGuo; Liu, Jiao; Tong, Wen Quan; Wu, Dan; Yang, Fan; Hou, Lei; Wang, Yao-Yu","Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying the unique selective CO2 gas adsorption and Magnetic properties†","CrystEngComm","2019","","","","","10.1039/C9CE01374A","","","0.71073","MoKα","","0.0225","0.0213","","","0.0558","0.0566","","","","","","1.039","","","","has coordinates,has disorder","218839","2020-10-21","18:00:00",""
"7234157","13.123","0.014","11.404","0.012","16.76","0.018","90","","109.759","0.017","90","","2361","4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Liao, Jun-Yi; Wu, Qing-Yan; Lu, Xiuqiang; Zou, Ning; Pan, Cheng-Xue; Liang, Cui; SU, Guifa; Mo, Dong-Liang","Copper-Catalyzed Diastereoselective O-Transfer Reaction of N-Vinyl-α,β-Unsaturated Nitrones with Ketenes into γ-Lactones through [5+2] Cycloaddition and N-O Bond Cleavage","Green Chemistry","2019","","","","","10.1039/C9GC01811E","","","0.71073","MoKα","","0.0826","0.0656","","","0.1798","0.1981","","","","","","1.035","","","","has coordinates","218849","2020-10-21","18:00:00",""
"7234158","15.5906","0.00016","5.83233","0.00005","19.3142","0.0002","90","","112.98","0.0013","90","","1616.86","0.03","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0421","0.0411","","","0.1111","0.1119","","","","","","1.041","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234159","14.2983","0.00009","10.412","0.00006","18.6634","0.00011","90","","105.069","0.0006","90","","2682.95","0.03","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O8 -","- C28 H33 N O8 -","- C112 H132 N4 O32 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0439","0.0437","","","0.1118","0.112","","","","","","1.082","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234160","6.24701","0.00005","17.7899","0.00014","20.2686","0.00016","90","","90","","90","","2252.52","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54184","CuKα","","0.0459","0.0454","","","0.1325","0.1331","","","","","","1.058","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234161","10.3313","0.0002","10.2519","0.0002","26.4465","0.0006","90","","98.891","0.002","90","","2767.44","0.1","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N O8 -","- C28 H33 N O8 -","- C112 H132 N4 O32 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0714","0.0691","","","0.2011","0.2038","","","","","","1.021","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234162","8.41466","0.00006","22.4287","0.00013","11.3844","0.00009","90","","107.707","0.0008","90","","2046.79","0.03","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C72 H114 N6 O30 -","6","3","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54184","CuKα","","0.0273","0.0272","","","0.0749","0.0749","","","","","","1.024","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234163","18.9061","0.0006","11.4711","0.0004","8.7831","0.0003","90","","99.134","0.003","90","","1880.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-N,10-N-bis(2-fluorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.0985","0.0544","","","0.1313","0.1617","","","","","","1.03","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234164","6.4738","0.0003","10.2056","0.0009","12.4931","0.001","75.029","0.007","80.67","0.006","88.09","0.006","786.81","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","11-(2-fluorophenyl)-2,3,5,6-tetraoxa-11-azaspiro[bicyclo[5.3.1]undecane-4,1'-cyclohexane]","","- C17 H22 F N O4 -","- C17 H22 F N O4 -","- C34 H44 F2 N2 O8 -","2","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.0764","0.0503","","","0.1115","0.1303","","","","","","1.061","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234165","10.5362","0.0009","9.4705","0.0006","20.3165","0.0017","90","","99.462","0.008","90","","1999.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-N,10-N-bis(4-chlorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1027","0.0608","","","0.1582","0.1916","","","","","","0.987","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234166","6.5986","0.0006","9.8591","0.0008","29.604","0.002","90","","90","","90","","1925.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7,8,11-trioxaspiro[5.6]dodecane-9,10-diol","","- C8 H14 O6 -","- C8 H14 O6 -","- C64 H112 O48 -","8","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1975","0.0921","","","0.2133","0.2743","","","","","","0.975","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234167","10.664","0.0006","9.4362","0.0006","20.7558","0.0011","90","","97.997","0.005","90","","2068.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-N,10-N-bis(4-bromophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 Br2 N2 O4 -","- C20 H22 Br2 N2 O4 -","- C80 H88 Br8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1914","0.0749","","","0.1295","0.1777","","","","","","0.986","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234168","12.9687","0.0013","10.0294","0.0008","14.5182","0.0015","90","","100.068","0.01","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-N,10-N-bis(4-fluorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1517","0.0825","","","0.2015","0.2375","","","","","","1.026","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234169","22.2869","0.0017","16.8565","0.0015","22.8736","0.0019","90","","114.56","0.004","90","","7815.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F18 Gd N2 O8 -","- C32 H22 F18 Gd N2 O8 -","- C256 H176 F144 Gd8 N16 O64 -","8","2","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.1002","0.0731","","","0.1559","0.1729","","","","","","1.064","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234170","12.7544","0.0008","14.3568","0.001","19.1732","0.0012","73.103","0.003","88.416","0.003","68.899","0.003","3122.4","0.4","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 F18 N4 O14 Y -","- C49 H41 F18 N4 O14 Y -","- C98 H82 F36 N8 O28 Y2 -","2","1","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.1288","0.1023","","","0.2244","0.2411","","","","","","1.095","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234171","22.297","0.0009","16.8233","0.0006","22.8137","0.0008","90","","114.398","0.002","90","","7793.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Dy F18 N2 O8 -","- C32 H22 Dy F18 N2 O8 -","- C256 H176 Dy8 F144 N16 O64 -","8","2","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.075","0.0453","","","0.0935","0.1104","","","","","","1.079","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234172","22.5914","0.001","17.0984","0.0006","22.9681","0.001","90","","114.802","0.002","90","","8053.7","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F18 N2 O8 Tb -","- C32 H22 F18 N2 O8 Tb -","- C256 H176 F144 N16 O64 Tb8 -","8","2","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.0871","0.0595","","","0.1234","0.1409","","","","","","1.207","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234173","7.9212","0.0003","9.5348","0.0003","14.0962","0.0005","88.056","0.001","89.137","0.001","84.091","0.001","1058.31","0.06","170","2","170.01","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N4 S -","- C27 H18 N4 S -","- C54 H36 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0638","0.0466","","","0.1206","0.1342","","","","","","1.025","","","","has coordinates","218864","2020-10-21","18:00:00",""
"7234174","8.5519","0.0007","10.6954","0.0008","12.9906","0.0011","87.54","0.007","74.165","0.007","76.42","0.007","1110.87","0.16","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N4 S -","- C28 H20 N4 S -","- C56 H40 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0737","0.0481","","","0.1061","0.1262","","","","","","1.062","","","","has coordinates","218864","2020-10-21","18:00:00",""
"7234175","13.5139","0.0003","15.485","0.0004","15.7111","0.0003","90","","110.006","0.001","90","","3089.35","0.12","170","2","169.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 N4 S -","- C33 H29 Cl3 N4 S -","- C132 H116 Cl12 N16 S4 -","4","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0527","0.0441","","","0.1082","0.1151","","","","","","1.038","","","","has coordinates,has disorder","218864","2020-10-21","18:00:00",""
"7234176","8.6242","0.0002","13.3809","0.0003","11.9133","0.0003","90","","108.743","0.001","90","","1301.88","0.05","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H28 N4 S -","- C32 H28 N4 S -","- C64 H56 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0364","0.0317","","","0.0796","0.0821","","","","","","1.037","","","","has coordinates","218864","2020-10-21","18:00:00",""
"7234177","7.7139","0.0003","11.3447","0.0004","16.7455","0.0007","100.235","0.001","91.83","0.001","94.809","0.001","1435.39","0.1","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 S -","- C34 H32 N4 S -","- C68 H64 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.1061","0.0965","","","0.2637","0.2721","","","","","","1.063","","","","has coordinates,has disorder","218864","2020-10-21","18:00:00",""
"7234178","9.8655","0.0004","10.2689","0.0004","12.5214","0.0005","87.488","0.001","70.801","0.001","83.51","0.001","1190.26","0.08","170","2","169.99","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 N4 S -","- C32 H20 N4 S -","- C64 H40 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0378","0.0344","","","0.0887","0.0916","","","","","","1.044","","","","has coordinates","218864","2020-10-21","18:00:00",""
"7234179","11.5486","0.0012","8.0467","0.0007","31.393","0.004","90","","93.842","0.004","90","","2910.7","0.5","273","2","272.76","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N4 S -","- C34 H32 N4 S -","- C136 H128 N16 S4 -","4","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.1493","0.1046","","","0.3239","0.3696","","","","","","1.278","","","","has coordinates,has disorder","218864","2020-10-21","18:00:00",""
"7234201","18.4877","0.0004","12.195","0.0003","18.7238","0.0005","90","","91.773","0.002","90","","4219.4","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5-(rac-4-[2.2]paracyclophanyl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II)","(5-(4-(1,4(1,4)-dibenzenacyclohexaphane-1^2^-yl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II)","","- C60 H42 Cu N4 -","- C60 H42 Cu N4 -","- C240 H168 Cu4 N16 -","4","1","","Knoll, Daniel M.; Wiesner, Thomas B.; Marschner, Stefan M.; Hassan, Zahid; Weis, Patrick; Kappes, Manfred; Nieger, Martin; Bräse, Stefan","Synthesis and characterization of rigid [2.2]paracyclophane‒porphyrin conjugates as scaffolds for fixed-distance bimetallic complexes","RSC Advances","2019","9","52","30541","","10.1039/C9RA07055A","","","1.54178","CuKα","","0.0925","0.0646","","","0.1559","0.1715","","","","","","1.065","","","","has coordinates,has disorder","218883","2020-10-21","18:00:00",""
"7234202","32.4476","0.0003","10.1068","0.0001","17.2959","0.0001","90","","90","","90","","5672.04","0.08","300.99","0.1","300.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H52 Cu4 N12 O14 S8 -","- C42 H52 Cu4 N12 O14 S8 -","- C168 H208 Cu16 N48 O56 S32 -","4","1","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.0738","0.0778","","","","","","1.039","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234203","12.0094","0.0004","12.8836","0.0006","17.3263","0.0007","90","","92.444","0.004","90","","2678.36","0.19","159.99","0.1","159.99","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H38 N12 Ni2 O11 S8 -","- C36 H38 N12 Ni2 O11 S8 -","- C72 H76 N24 Ni4 O22 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.1173","0.0799","","","0.1988","0.2335","","","","","","0.978","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234204","12.4803","0.0005","7.7683","0.0004","27.2802","0.0015","90","","90.8","0.004","90","","2644.6","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Co N12 Na2 O18 S8 -","- C36 H52 Co N12 Na2 O18 S8 -","- C72 H104 Co2 N24 Na4 O36 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","0.71073","MoKα","","0.0735","0.0535","","","0.1272","0.1464","","","","","","1.042","","","","has coordinates,has disorder","223542","2020-10-21","18:00:00",""
"7234205","8.0702","0.0003","10.9452","0.0004","31.8143","0.0012","90","","90","","90","","2810.16","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Mo N3 O5 -","- C14 H11 Mo N3 O5 -","- C112 H88 Mo8 N24 O40 -","8","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0398","0.0298","","","0.0671","0.0714","","","","","","1.06","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234206","6.6351","0.0003","7.6159","0.0003","16.3967","0.0008","91.525","0.003","93.644","0.004","95.79","0.003","822.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0343","0.0301","","","0.0727","0.0749","","","","","","1.045","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234207","8.9395","0.0004","12.0713","0.0004","16.8359","0.0006","90","","95.768","0.004","90","","1807.59","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl Mo N3 O6 -","- C15 H16 Cl Mo N3 O6 -","- C60 H64 Cl4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0539","0.0289","","","0.0502","0.053","","","","","","0.837","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234208","7.6639","0.0004","9.7687","0.0004","11.6636","0.0004","76.424","0.003","76.154","0.004","89.268","0.006","823.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0593","0.0612","","","","","","1.067","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234209","8.9754","0.0002","12.0144","0.0009","16.8807","0.0006","90","","96.192","0.003","90","","1809.69","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Mo N3 O6 -","- C15 H16 Br Mo N3 O6 -","- C60 H64 Br4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0335","0.026","","","0.0536","0.0562","","","","","","1.036","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234210","7.239","0.0003","10.6694","0.0004","11.841","0.0004","106.795","0.003","95.133","0.003","104.217","0.003","835.94","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0288","0.0231","","","0.0541","0.0559","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234211","7.6699","0.0002","13.2183","0.0003","10.0377","0.0002","90","","92.579","0.002","90","","1016.62","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Mo N4 O10 -","- C16 H20 Mo N4 O10 -","- C32 H40 Mo2 N8 O20 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0507","","","","","","1.084","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234212","7.234","0.0003","13.889","0.0006","10.451","0.0005","90","","100.841","0.004","90","","1031.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Mo N3 O10 S -","- C16 H19 Mo N3 O10 S -","- C32 H38 Mo2 N6 O20 S2 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0212","0.0207","","","0.0508","0.0511","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234213","6.6377","0.0004","10.1622","0.0006","11.6931","0.0006","97.524","0.005","94.078","0.004","93.698","0.005","777.8","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mo N3 O6 -","- C14 H13 Mo N3 O6 -","- C28 H26 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0776","0.0565","","","0.126","0.1319","","","","","","1.126","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234214","5.166","0.005","5.694","0.006","17.261","0.017","98.37","0.05","93.01","0.04","98.12","0.06","495.9","0.9","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-cyanopyridine 1,4 diiodooctafluorobutane","","- C16 H8 F8 I2 N4 -","- C16 H8 F8 I2 N4 -","- C16 H8 F8 I2 N4 -","1","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0307","0.0292","","","0.0577","0.0581","","","","","","1.265","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234215","10.2109","0.001","12.3421","0.0013","12.8953","0.0013","101.776","0.002","99.116","0.002","92.868","0.002","1565.1","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","(4-Cyanopyridine)-(h6-p-cymene)-diiodo-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C25 H18 F6 I5 N2 Ru -","- C25 H18 F6 I5 N2 Ru -","- C50 H36 F12 I10 N4 Ru2 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.1049","0.0532","","","0.0928","0.1109","","","","","","0.972","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234216","4.2751","0.0011","27.919","0.007","12.173","0.003","90","","93.964","0.007","90","","1449.5","0.6","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-cyanopyridine 1,3-diiodo-tetrafluorobenzene","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C48 H16 F16 I8 N8 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.1672","0.0734","","","0.1216","0.1532","","","","","","0.982","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234217","4.2421","0.0003","7.0061","0.0006","27.717","0.002","90","","93.154","0.003","90","","822.52","0.11","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-cyanopyridine 1,2-diiodoethene","","- C7 H4 I N2 -","- C7 H4 I N2 -","- C28 H16 I4 N8 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0848","0.0543","","","0.0879","0.0947","","","","","","1.179","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234218","25.095","0.002","11.2129","0.0011","9.1348","0.0008","90","","95.251","0.002","90","","2559.6","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(4-Cyanopyridine)-(h6-p-cymene)-dichloro-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C22 H18 Cl2 F4 I2 N2 Ru -","- C22 H18 Cl2 F4 I2 N2 Ru -","- C88 H72 Cl8 F16 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.031","0.0254","","","0.0451","0.0469","","","","","","0.957","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234219","4.3341","0.0005","6.2294","0.0006","26.005","0.003","88.445","0.004","87.48","0.004","82.788","0.004","695.71","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","1,4-diiodotetrafluorobenzene 4-cyanopyridine","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C24 H8 F8 I4 N4 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.072","0.0643","","","0.1335","0.1366","","","","","","1.291","","","","has coordinates,has disorder","218890","2020-10-21","18:00:00",""
"7234220","11.609","0.008","13.088","0.009","11.893","0.008","90","","96.479","0.01","90","","1795","2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Cyanopyridine)-(h6-p-cymene)-diiodo-ruthenium(ii)","","- C16 H17 I2 N2 Ru -","- C16 H17 I2 N2 Ru -","- C64 H68 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0393","0.0292","","","0.0659","0.0712","","","","","","1.054","","","","has coordinates,has disorder","218890","2020-10-21","18:00:00",""
"7234221","13.2","0.003","12.855","0.003","11.449","0.002","90","","90","","90","","1942.7","0.7","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0477","0.0453","","","0.1204","0.122","","","","","","1.034","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234222","9.487","0.0019","13.015","0.003","15.666","0.003","90","","93.28","0.03","90","","1931.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0575","0.0445","","","0.1234","0.13","","","","","","1.071","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234223","16.062","0.003","15.69","0.003","8.034","0.0016","90","","98.04","0.03","90","","2004.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0533","0.0435","","","0.1236","0.1304","","","","","","1.046","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234224","9.086","0.0018","13.597","0.003","16.25","0.003","90","","97.35","0.03","90","","1991.1","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0661","0.0543","","","0.1695","0.1774","","","","","","1.154","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234225","8.971","0.0018","13.595","0.003","16.421","0.003","90","","96.7","0.03","90","","1989","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0451","0.0344","","","0.0908","0.0942","","","","","","1.03","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234226","13.351","0.003","12.726","0.003","11.533","0.002","90","","90","","90","","1959.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0444","0.0437","","","0.116","0.1169","","","","","","1.043","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234227","9.4","0.0019","13.351","0.003","15.562","0.003","90","","97.44","0.03","90","","1936.6","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0682","0.0559","","","0.1636","0.1716","","","","","","1.097","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234228","9.081","0.0018","13.6","0.003","16.245","0.003","90","","97.35","0.03","90","","1989.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0634","0.0545","","","0.166","0.1734","","","","","","1.112","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234229","15.974","0.003","15.801","0.003","7.996","0.0016","90","","98.1","0.03","90","","1998.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0421","0.0337","","","0.0902","0.0936","","","","","","1.045","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234230","9.407","0.0019","13.348","0.003","15.571","0.003","90","","97.33","0.03","90","","1939.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0546","0.048","","","0.139","0.1445","","","","","","1.06","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234231","14.47","0.003","8.437","0.0017","17.241","0.003","90","","110.23","0.03","90","","1975","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0523","0.0477","","","0.1404","0.1441","","","","","","1.089","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234232","3.8415","0.0003","7.627","0.0007","18.9474","0.0017","90.79","0.003","90.292","0.003","93.35","0.003","554.13","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N4 S6 -","- C22 H16 N4 S6 -","- C22 H16 N4 S6 -","1","0.5","","Kiyota, Yasuhiro; Jeon, Ie-Rang; Jeannin, olivier; Beau, Maxime; Kawamoto, Tadashi; Alemany, Pere; Canadell, Enric; Mori, Takehiko; Fourmigue, Marc","Electronic engineering of a tetrathiafulvalene charge-transfer salt via reduced symmetry induced by combined substituents","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP04320A","","x-ray","0.71073","MoKα","","0.0442","0.0377","","","0.0874","0.0905","","","","","","1.133","","","","has coordinates","218905","2020-10-21","18:00:00",""
"7234233","8.0668","0.0011","10.2716","0.0015","12.5958","0.0017","110.184","0.002","95.022","0.002","105.308","0.002","926.3","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Co Mo3 N3 O15 -","- C7 H10 Co Mo3 N3 O15 -","- C14 H20 Co2 Mo6 N6 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0381","0.0335","","","0.0992","0.1026","","","","","","1.04","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234234","8.0455","0.0003","10.2229","0.0004","12.4994","0.0005","109.595","0.001","94.998","0.001","105.448","0.001","915.73","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Mo3 N3 Ni O15 -","- C7 H10 Mo3 N3 Ni O15 -","- C14 H20 Mo6 N6 Ni2 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0301","0.0253","","","0.068","0.0706","","","","","","1.044","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234235","12.2427","0.0005","12.7055","0.0005","12.9947","0.0005","117.286","0.001","101.658","0.001","104.99","0.001","1609.7","0.11","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cd Mo4 N9 O18 -","- C21 H20 Cd Mo4 N9 O18 -","- C42 H40 Cd2 Mo8 N18 O36 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0476","0.0335","","","0.0677","0.0734","","","","","","1.032","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234236","8.1287","0.0011","11.5708","0.0016","15.695","0.002","105.595","0.003","101.843","0.002","104.487","0.002","1316.6","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Mo4 N6 O18 Zn -","- C14 H16 Mo4 N6 O18 Zn -","- C28 H32 Mo8 N12 O36 Zn2 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0554","0.0361","","","0.0729","0.0811","","","","","","1.013","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234237","12.9855","0.0005","19.6775","0.0007","7.6312","0.0003","90","","102.926","0.001","90","","1900.53","0.12","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Mo3 N6 O13 Zn -","- C10 H14 Mo3 N6 O13 Zn -","- C40 H56 Mo12 N24 O52 Zn4 -","4","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0291","0.0228","","","0.0578","0.0608","","","","","","1.018","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234253","19.5322","0.0006","6.80496","0.00014","32.4249","0.0011","90","","106.039","0.004","90","","4142","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H62 Co3 N28 O4 -","- C88 H62 Co3 N28 O4 -","- C176 H124 Co6 N56 O8 -","2","0.5","","Zhao, Fei; Dong, Zhen-Peng; Liu, Zhiliang; Wang, Yan-Qin","An unusual homospin CoII ferrimagnetic single-chain magnet with large hysteresis","CrystEngComm","2019","","","","","10.1039/C9CE01246J","","","1.54184","CuKα","","0.0753","0.0531","","","0.1226","0.1363","","","","","","1.028","","","","has coordinates,has disorder","218945","2020-10-21","18:00:00",""
"7234275","7.293","0.0015","7.0892","0.0014","14.699","0.003","90","","90","","90","","760","0.3","153.15","","153.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Li2 Na2 O9 P2 Ti -","- Li2 Na2 O9 P2 Ti -","- Li8 Na8 O36 P8 Ti4 -","4","0.5","","Duan, Meihong; Li, Rukang","Li2Na2TiP2O9: an ordered Na4TiP2O9-type crystal with ion-exchange properties","CrystEngComm","2019","21","43","6514","","10.1039/C9CE01314H","","","0.71073","MoKα","","0.1016","0.0835","","","0.164","0.1739","","","","","","1.208","","","","has coordinates","223538","2020-10-21","18:00:00",""
"7234276","4.1332","0.0005","8.4034","0.0009","10.1872","0.0011","90.8565","0.0014","96.407","0.0014","101.47","0.0015","344.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0248","0.0205","","","0.0475","0.0491","","","","","","1.104","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234277","7.5636","0.00011","6.5661","0.0001","9.5826","0.00013","90","","116.607","0.0009","90","","425.506","0.011","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C4 H12 N2 Ni O6 -","- C4 H12 N2 Ni O6 -","- C8 H24 N4 Ni2 O12 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0226","0.0203","","","0.0484","0.0495","","","","","","1.067","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234278","8.505","0.004","9.781","0.004","7.345","0.003","90","","96.148","0.007","90","","607.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C6 H14 N4 Ni O2 S2 -","- C6 H14 N4 Ni O2 S2 -","- C12 H28 N8 Ni2 O4 S4 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0339","0.0277","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234279","11.351","0.014","7.944","0.009","10.95","0.013","90","","104.676","0.018","90","","955","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F3 N2 -","- C10 H7 F3 N2 -","- C40 H28 F12 N8 -","4","1","","Lu, Jiaqing; Man, Yuning; Zhang, Yabin; Lin, Bo; Lin, Qi; Weng, Zhiqiang","Copper-catalyzed chemoselective synthesis of 4-trifluoromethyl pyrazoles","RSC Advances","2019","9","53","30952","","10.1039/C9RA07694H","","","0.71073","MoKα","","0.1355","0.1115","","","0.2577","0.2952","","","","","","1.143","","","","has coordinates","218999","2020-10-21","18:00:00",""
"7234310","9.27","0.003","10.612","0.003","17.42","0.007","86.182","0.008","76.13","0.009","66.631","0.005","1526.4","0.9","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cl2 Cu2 N4 O7 -","- C29 H34 Cl2 Cu2 N4 O7 -","- C58 H68 Cl4 Cu4 N8 O14 -","2","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.1367","0.0894","","","0.2335","0.2817","","","","","","1.016","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234311","9.1624","0.0014","22.44","0.003","14.897","0.002","90","","96.832","0.003","90","","3041.1","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 Cu2 N4 O6 -","- C28 H30 Cl2 Cu2 N4 O6 -","- C112 H120 Cl8 Cu8 N16 O24 -","4","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.1062","0.0541","","","0.1006","0.118","","","","","","0.99","","","","has coordinates,has disorder","219051","2020-10-21","18:00:00",""
"7234312","15.9212","0.001","10.6452","0.0006","17.4129","0.001","90","","111.849","0.001","90","","2739.2","0.3","293","2","293.24","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl2 Cu2 N4 O6 -","- C26 H26 Cl2 Cu2 N4 O6 -","- C104 H104 Cl8 Cu8 N16 O24 -","4","0.5","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.0666","0.0547","","","0.1569","0.1648","","","","","","1.12","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234313","9.4213","0.0009","10.8123","0.001","17.2301","0.0015","86.303","0.002","76.51","0.002","66.74","0.002","1567.3","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Cl2 Cu2 N5 O6 -","- C30 H33 Cl2 Cu2 N5 O6 -","- C60 H66 Cl4 Cu4 N10 O12 -","2","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.0917","0.0623","","","0.1698","0.1896","","","","","","1.038","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234314","26.035","0.008","4.7746","0.0016","9.927","0.004","90","","99.8","0.02","90","","1216","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C44 H40 I4 N12 O4 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0824","0.0463","","","0.1433","0.1792","","","","","","1.081","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234315","10.478","0.003","10.115","0.003","13.052","0.004","90","","106.83","0.012","90","","1324.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O2 -","- C14 H14 N3 O2 -","- C56 H56 N12 O8 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0942","0.0489","","","0.1188","0.1422","","","","","","1.016","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234316","4.446","0.0014","13.03","0.004","19.52","0.007","90","","90","","90","","1130.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 I N3 -","- C11 H8 I N3 -","- C44 H32 I4 N12 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.1254","0.0539","","","0.0871","0.1061","","","","","","0.972","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234317","9.5941","0.0013","9.5941","0.0013","20.329","0.003","90","","90","","90","","1871.2","0.5","296","2","296.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Co2 N4 O14 S -","- C10 H18 Co2 N4 O14 S -","- C40 H72 Co8 N16 O56 S4 -","4","0.5","","Zhang, Jie; Zhao, Qian-Nan; Yang, Feng; Yin, Lei; Li, Miao-Miao; Wang, Zhenxing; Ouyang, Zhongwen; Xia, Zheng-Cai; Hu, Tuo-Ping","A cobalt(ii) chain based on pymca generated in situ from the hydrolysis of 2-cyanopyrimidine: spin canting and magnetic relaxation","RSC Advances","2019","9","53","31115","","10.1039/C9RA05354A","","","0.71073","MoKα","","0.0619","0.0557","","","0.1181","0.1205","","","","","","1.194","","","","has coordinates","219055","2020-10-21","18:00:00",""
"7234318","7.5428","0.0007","11.256","0.001","11.976","0.001","112.238","0.008","96.414","0.007","94.215","0.007","927.83","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N11 O13 Y -","- C4 H16 N11 O13 Y -","- C8 H32 N22 O26 Y2 -","2","1","","Koslowski, Nico; Hoffmann, Rudolf C.; Trouillet, Vanessa; Bruns, Michael; Foro, Sabine; Schneider, Jörg J.","Synthesis, oxide formation, properties and thin film transistor properties of yttrium and aluminium oxide thin films employing a molecular-based precursor route","RSC Advances","2019","9","54","31386","","10.1039/C9RA05348D","","","0.71073","MoKα","","0.0335","0.0271","","","0.0681","0.0695","","","","","","1.076","","","","has coordinates","219056","2020-10-21","18:00:00",""
"7234353","8.9732","0.0005","9.5401","0.0005","10.9902","0.0006","82.2592","0.0019","72.1344","0.0017","65.707","0.0016","816.12","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0473","0.0366","","","0.1079","0.116","","","","","","1.03","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234354","8.6104","0.0003","6.8302","0.0002","19.1092","0.0008","90","","101.76","0.0014","90","","1100.24","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0625","0.0426","","","0.1203","0.134","","","","","","1.038","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234355","9.5746","0.0004","4.6618","0.0002","16.122","0.0007","90","","107.035","0.002","90","","688.03","0.05","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C30 H28 N4 O8 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0682","0.0497","","","0.1577","0.1687","","","","","","1.247","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234356","16.3686","0.0005","6.9285","0.0002","9.5207","0.0003","90","","123.449","0.0012","90","","900.92","0.05","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H24 N2 O10 -","- C14 H24 N2 O10 -","- C28 H48 N4 O20 -","2","0.25","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0418","0.0365","","","0.1055","0.1094","","","","","","1.085","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234357","13.0785","0.0006","4.9373","0.0002","18.7535","0.0009","90","","106.176","0.003","90","","1163.02","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C56 H44 N4 O16 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0651","0.0449","","","0.1225","0.1356","","","","","","1.007","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234358","3.677","0.003","10.505","0.007","10.652","0.007","66.88","0.02","85.72","0.02","81.68","0.02","374.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","1","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0879","0.0596","","","0.1621","0.1791","","","","","","1.038","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234359","8.1387","0.0007","9.6821","0.0008","19.0927","0.0016","102.62","0.003","90.125","0.003","107.58","0.003","1395.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H50 N10 O16 -","- C64 H50 N10 O16 -","- C64 H50 N10 O16 -","1","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.119","0.0567","","","0.155","0.189","","","","","","1.04","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234360","9.5773","0.0005","10.7505","0.0006","10.9564","0.0006","96.199","0.002","97.7308","0.0019","113.727","0.0018","1006.87","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0718","0.045","","","0.1237","0.141","","","","","","1.014","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234361","8.4722","0.0008","8.6319","0.0008","11.8009","0.0012","108.849","0.003","98.114","0.003","97.134","0.003","795.17","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0799","0.0564","","","0.1379","0.1516","","","","","","1.027","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234362","11.4554","0.0006","14.1808","0.0007","15.2055","0.0008","104.905","0.002","94.946","0.002","111.852","0.002","2169.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N8 O6 -","- C50 H46 N8 O6 -","- C100 H92 N16 O12 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0971","0.0601","","","0.1492","0.1754","","","","","","1.028","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234363","7.5267","0.0006","9.8209","0.0007","18.1895","0.0014","90","","90.747","0.003","90","","1344.43","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","2","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0607","0.0412","","","0.1089","0.1225","","","","","","0.883","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234391","7.3622","0.0012","7.8278","0.0013","9.5248","0.0018","73.758","0.015","69.604","0.016","68.658","0.015","471.81","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S -","- C10 H8 N2 O S -","- C20 H16 N4 O2 S2 -","2","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.1021","0.0718","","","0.1636","0.1898","","","","","","0.985","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234392","4.726","0.0009","14.633","0.003","12.5056","0.0017","90","","93.97","0.014","90","","862.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.2195","0.0879","","","0.2096","0.2744","","","","","","0.874","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234393","4.763","0.0002","14.344","0.0009","12.3505","0.0007","90","","95.601","0.005","90","","839.76","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.0545","0.0445","","","0.1214","0.1307","","","","","","1.081","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234394","11.3493","0.001","5.6476","0.0004","14.2419","0.001","90","","100.689","0.008","90","","897.01","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.0646","0.0502","","","0.1296","0.1466","","","","","","1.033","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234395","12.4552","0.0012","14.2434","0.0014","13.5827","0.0013","90","","101.738","0.003","90","","2359.2","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 -","- C32 H24 N4 -","- C128 H96 N16 -","4","1","","Hu, Wangqin; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Zhang, Yuhan","Multi-stimuli responsive properties switch by intra- and inter-molecular charge transfer constructed from triphenylamine derivative","CrystEngComm","2019","21","43","6630","","10.1039/C9CE01217F","","","0.71073","MoKα","","0.0789","0.0587","","","0.156","0.1731","","","","","","1.086","","","","has coordinates","223534","2020-10-21","18:00:00",""
"7234396","12.3302","0.0014","7.9001","0.0009","18.63","0.002","90","","96.052","0.007","90","","1804.6","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br3 N O -","- C19 H12 Br3 N O -","- C76 H48 Br12 N4 O4 -","4","2","","Wada, Yuuki; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Enantioselective bromination of axially chiral cyanoarenes in the presence of bifunctional organocatalysts","RSC Advances","2019","9","54","31654","","10.1039/C9RA05532K","","","0.71075","MoKα","","","0.0552","","","","0.1047","","","","","","1.007","","","","has coordinates","219106","2020-10-21","18:00:00",""
"7234434","20.823","0.004","12.791","0.003","22.346","0.004","90","","103.89","0.03","90","","5778","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 Dy2 F36 N4 O14 -","- C38 H14 Dy2 F36 N4 O14 -","- C152 H56 Dy8 F144 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.107","0.0531","","","0.0814","0.0956","","","","","","0.998","","","","has coordinates,has disorder","223509","2020-10-21","18:00:00",""
"7234435","21.08","0.004","12.93","0.003","22.428","0.005","90","","104.26","0.03","90","","5925","2","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 N4 O14 Tb2 -","- C38 H14 F36 N4 O14 Tb2 -","- C152 H56 F144 N16 O56 Tb8 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0827","0.0671","","","0.1717","0.1879","","","","","","1.173","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234436","20.537","0.004","12.827","0.003","21.849","0.004","90","","104.98","0.03","90","","5560","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 Ho2 N4 O14 -","- C38 H14 F36 Ho2 N4 O14 -","- C152 H56 F144 Ho8 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0312","0.0277","","","0.0596","0.0611","","","","","","1.065","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234437","24.768","0.008","15.634","0.004","19.349","0.006","90","","123.945","0.005","90","","6215","3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 N2 O8 Tb -","- C25 H11 F18 N2 O8 Tb -","- C200 H88 F144 N16 O64 Tb8 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0769","0.0758","","","0.2162","0.2169","","","","","","0.971","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234438","24.222","0.006","16.502","0.007","19.343","0.008","90","","122.37","0.02","90","","6530","4","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 Dy F18 N2 O8 -","- C25 H11 Dy F18 N2 O8 -","- C200 H88 Dy8 F144 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0963","0.0557","","","0.1444","0.1835","","","","","","1.079","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234439","24.135","0.005","16.538","0.003","19.338","0.004","90","","122.23","0.03","90","","6529","3","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 Ho N2 O8 -","- C25 H11 F18 Ho N2 O8 -","- C200 H88 F144 Ho8 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0624","0.0482","","","0.1238","0.1348","","","","","","1.018","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234440","16.9943","0.0007","14.9296","0.0005","17.2155","0.0006","90","","117.37","0.005","90","","3878.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]-polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0737","0.0561","","","0.1645","0.1775","","","","","","1.056","","","","has coordinates","223507","2020-10-21","18:00:00",""
"7234441","16.8161","0.0003","14.6779","0.0002","17.1039","0.0003","90","","117.901","0.003","90","","3730.93","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]_polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0529","0.0492","","","0.1422","0.1452","","","","","","1.021","","","","has coordinates","223507","2020-10-21","18:00:00",""
"7234442","12.1386","0.0006","18.463","0.0009","13.0343","0.0006","90","","102.918","0.005","90","","2847.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Brexpiprazole Catechol Co-crystal","","- C31 H33 N3 O4 S -","- C31 H33 N3 O4 S -","- C124 H132 N12 O16 S4 -","4","1","","Arabiani, Mohsin Razakbhai; Bal Raju, K.; Bhunia, Surojit; Teja, Pyla Kranthi; Lodagekar, Anurag; Chavan, Rahul B.; Shastri, Nalini R.; Reddy, Chilla Malla; Shelat, Pragna; Dave, Divyang","Brexpiprazole-Catechol Cocrystal: Structure Elucidation, Excipient Compatibility and Stability","CrystEngComm","2019","","","","","10.1039/C9CE01182J","","x-ray","0.71073","MoKα","","0.0912","0.0558","","","0.1087","0.1251","","","","","","1.042","","","","has coordinates","219142","2020-10-21","18:00:00",""
"7234443","7.848","0.003","7.886","0.003","10.88","0.005","90.97","0.03","93.6","0.03","114.95","0.03","608.6","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Co N2 O9 P2 -","- C7 H14 Co N2 O9 P2 -","- C14 H28 Co2 N4 O18 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Low pH constructed Co(ii) and Ni(ii) 1D coordination polymers based on Cα-substituted analogues of zoledronic acid: structural characterization, and spectroscopic and magnetic properties","RSC Advances","2019","9","54","31497","","10.1039/C9RA05673D","","","0.71073","MoKα","","0.0499","0.0325","","","0.0618","0.0639","","","","","","0.925","","","","has coordinates","219150","2020-10-21","18:00:00",""
"7234444","7.816","0.003","7.849","0.003","10.849","0.004","91.03","0.03","93.26","0.03","114.92","0.03","602","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 N2 Ni O9 P2 -","- C7 H14 N2 Ni O9 P2 -","- C14 H28 N4 Ni2 O18 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Low pH constructed Co(ii) and Ni(ii) 1D coordination polymers based on Cα-substituted analogues of zoledronic acid: structural characterization, and spectroscopic and magnetic properties","RSC Advances","2019","9","54","31497","","10.1039/C9RA05673D","","","0.71073","MoKα","","0.1023","0.0421","","","0.0552","0.0603","","","","","","0.696","","","","has coordinates","219150","2020-10-21","18:00:00",""
"7234445","13.666","0.004","8.447","0.002","22.247","0.005","90","","94.45","0.03","90","","2560.4","1.1","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Co N2 O9 P2 -","- C8 H16 Co N2 O9 P2 -","- C64 H128 Co8 N16 O72 P16 -","8","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Low pH constructed Co(ii) and Ni(ii) 1D coordination polymers based on Cα-substituted analogues of zoledronic acid: structural characterization, and spectroscopic and magnetic properties","RSC Advances","2019","9","54","31497","","10.1039/C9RA05673D","","","0.71073","MoKα","","0.0419","0.0315","","","0.0708","0.075","","","","","","1.038","","","","has coordinates","219150","2020-10-21","18:00:00",""
"7234446","9.056","0.003","9.43","0.003","9.605","0.003","114.954","0.005","97.79","0.005","90.883","0.006","734.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 N2 Ni3 O24 P4 -","- C12 H44 N2 Ni3 O24 P4 -","- C12 H44 N2 Ni3 O24 P4 -","1","0.5","","Su, Yan-Hui; Jia, Jia-Ge; Huang, Xin-Da; Feng, Jian-Shen; Bao, Song-Song; Ren, Min; Kurmoo, Mohamedally; Zheng, Li-Min","Changes in magnetic order through two consecutive dehydration steps of metal-phosphonate diamond chains","RSC Advances","2019","9","55","31911","","10.1039/C9RA05722F","","","0.71073","MoKα","","0.0767","0.0561","","","0.1141","0.1226","","","","","","1.001","","","","has coordinates","219151","2020-10-21","18:00:00",""
"7234447","9.064","0.004","9.536","0.004","9.686","0.004","114.883","0.006","97.803","0.007","90.634","0.006","750.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Co3 N2 O24 P4 -","- C12 H44 Co3 N2 O24 P4 -","- C12 H44 Co3 N2 O24 P4 -","1","0.5","","Su, Yan-Hui; Jia, Jia-Ge; Huang, Xin-Da; Feng, Jian-Shen; Bao, Song-Song; Ren, Min; Kurmoo, Mohamedally; Zheng, Li-Min","Changes in magnetic order through two consecutive dehydration steps of metal-phosphonate diamond chains","RSC Advances","2019","9","55","31911","","10.1039/C9RA05722F","","","0.71073","MoKα","","0.0398","0.0374","","","0.1188","0.1223","","","","","","1.005","","","","has coordinates","219151","2020-10-21","18:00:00",""
"7234448","9.7436","0.0013","13.0705","0.0017","17.656","0.002","90","","93.454","0.004","90","","2244.5","0.5","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 N4 O Pt S -","- C22 H22 Cl2 N4 O Pt S -","- C88 H88 Cl8 N16 O4 Pt4 S4 -","4","1","","Bellam, Rajesh; Jaganyi, Deogratius; Mambanda, Allen; Robinson, Ross; BalaKumaran, Manickam Dakshinamoorthi","Seven membered chelate Pt(ii) complexes with 2,3-di(2-pyridyl)quinoxaline ligands: studies of substitution kinetics by sulfur donor nucleophiles, interactions with CT-DNA, BSA and in vitro cytotoxicity activities","RSC Advances","2019","9","55","31877","","10.1039/C9RA06488E","","x-ray","0.71073","MoKα","","0.0172","0.0154","","","0.0337","0.0343","","","","","","1.037","","","","has coordinates","219152","2020-10-21","18:00:00",""
"7234508","17.398","0.0008","12.761","0.0004","8.551","0.0003","90","","101.51","0.004","90","","1860.28","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N2 O7 -","- C20 H16 Cu N2 O7 -","- C80 H64 Cu4 N8 O28 -","4","1","","He, Yuan-Chun; Zhang, Jie; Xiao, Li-Yuan; Yuan, Zi-Han; Yu, Yang; Wang, Yan; Zhu, Kunlei; Kan, Wei-Qiu","A Novel Coordination Polymer based on a New Multidentate Ligand: Synthesis, Structure and Properties","CrystEngComm","2019","","","","","10.1039/C9CE01307E","","","0.71069","MoKα","","0.0646","0.0439","","","0.0986","0.1094","","","","","","1.04","","","","has coordinates,has disorder","219229","2020-10-21","18:00:00",""
"7234509","10.6508","0.0009","14.5943","0.0013","7.9248","0.0006","90","","107.384","0.003","90","","1175.57","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Yang, Pengpeng; Li, Xiaojie; Liu, Haodong; Li, Zihan; Liu, Jun; Zhuang, Wei; Wu, Jianglan; Ying, Hanjie","Thermodynamics, Crystal structure, and Characterization of Bio-based Nylon 54 monomer.","CrystEngComm","2019","","","","","10.1039/C9CE01204D","","","0.71073","MoKα","","0.0763","0.0547","","","0.1493","0.1655","","","","","","1.051","","","","has coordinates,has disorder","219230","2020-10-21","18:00:00",""
"7234527","11.6125","0.0007","12.4","0.0009","13.7567","0.001","89.154","0.006","79.572","0.005","87.827","0.005","1946.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","1","0.5","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71073","MoKα","","0.1422","0.0857","","","0.2315","0.2754","","","","","","1.161","","","","has coordinates","219264","2020-10-21","18:00:00",""
"7234528","9.5769","0.0003","20.4478","0.0008","37.235","0.0012","92.209","0.003","92.601","0.003","103.469","0.003","7074.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H194 F12 N22 O7 Si2 -","- C130 H194 F12 N22 O7 Si2 -","- C260 H388 F24 N44 O14 Si4 -","2","1","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71","MoKα","","0.2499","0.0805","","","0.1256","0.1842","","","","","","1.052","","","","has coordinates","219264","2020-10-21","18:00:00",""
"7234529","11.398","0.0003","11.8157","0.0003","16.3102","0.0004","96.121","0.001","96.47","0.002","114.2","0.001","1962.28","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","1","0.5","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71073","MoKα","","0.0724","0.0478","","","0.1333","0.1476","","","","","","0.876","","","","has coordinates,has disorder","219264","2020-10-21","18:00:00",""
"7234530","4.0393","0.0001","11.2187","0.0004","16.2922","0.0004","90","","90","","90","","738.29","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(pyrazol-1-yl)pyridine","","- C8 H6 F N3 -","- C8 H6 F N3 -","- C32 H24 F4 N12 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0293","0.0277","","","0.077","0.0786","","","","","","1.079","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234531","12.5794","0.0009","3.8549","0.0003","20.4981","0.0014","90","","103.627","0.007","90","","966.02","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine","","- C10 H8 N6 -","- C10 H8 N6 -","- C40 H32 N24 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0685","0.0523","","","0.1268","0.1351","","","","","","1.135","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234532","19.919","0.0003","15.3887","0.0003","18.5909","0.0003","90","","101.152","0.002","90","","5591.02","0.17","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0639","0.062","","","0.1594","0.1611","","","","","","1.035","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234533","19.9189","0.0006","15.8603","0.0005","18.7484","0.0004","90","","99.528","0.002","90","","5841.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1) nitromethane solvate","","- C41 H41 B4 F16 Fe2 N25 O5 -","- C41 H39 B4 F16 Fe2 N25 O5 -","- C164 H156 B16 F64 Fe8 N100 O20 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.1236","0.0848","","","0.2212","0.2496","","","","","","1.031","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234534","19.9235","0.0005","15.5984","0.0005","18.6533","0.0004","90","","100.512","0.002","90","","5699.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.085","0.082","","","0.2271","0.2314","","","","","","1.029","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234535","19.901","0.0005","15.9683","0.0004","18.7282","0.0006","90","","99.397","0.003","90","","5871.7","0.3","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/0.66) nitromethane solvate","","- C41 H40.32 B4 F16 Fe2 N25 O4.66 -","- C41 H39 B4 F16 Fe2 N25 O4.66 -","- C164 H156 B16 F64 Fe8 N100 O18.64 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0899","0.0834","","","0.2363","0.2454","","","","","","1.043","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234536","10.0307","0.0003","14.0336","0.0005","12.5626","0.0004","90","","100.105","0.001","90","","1740.97","0.1","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C78 H86 Cl4 O16 -","- C78 H86 Cl4 O16 -","- C78 H86 Cl4 O16 -","1","0.25","","Bauer, David; Blumberg, Markus; Köckerling, Martin; Mamat, Constantin","A comparative evaluation of calix[4]arene-1,3-crown-6 as a ligand for selected divalent cations of radiopharmaceutical interest","RSC Advances","2019","9","55","32357","","10.1039/C9RA07293D","","","0.71073","MoKα","","0.0679","0.0459","","","0.1102","0.125","","","","","","1.026","","","","has coordinates,has disorder","219268","2020-10-21","18:00:00",""
"7234537","5.693","0.002","3.2498","0.0011","9.41","0.003","90","","100.317","0.007","90","","171.28","0.1","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K0.36 S2 W -","- K0.36 S2 W -","- K0.72 S4 W2 -","2","0.5","","Mao, Yuanlv; Xie, Miao; Zhao, Wei; Yuan, Kaidi; Fang, Yuqiang; Huang, Fuqiang","K0.36(H2O)yWS2: a new layered compound for reversible hydrated potassium ion intercalation in aqueous electrolyte","RSC Advances","2019","9","55","32323","","10.1039/C9RA07718A","","","0.71073","MoKα","","0.0317","0.0308","","","0.0807","0.0811","","","","","","1.118","","","","has coordinates,has disorder","219269","2020-10-21","18:00:00",""
"7234538","27.1659","0.0011","27.1659","0.0011","7.652","0.0004","90","","90","","120","","4890.5","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","2","","- C63 H63 Dy O27 -","- C63 H63 Dy O27 -","- C189 H189 Dy3 O81 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.7","synchrotron","","0.0428","0.0425","","","0.1037","0.1042","","","","","","1.084","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234539","27.1871","0.0007","27.1871","0.0007","7.6178","0.0004","90","","90","","120","","4876.3","0.3","300","2","300","2","","","","","","","","4","R 3 :H","R 3","146","","1","","- C63 H63 O27 Tb -","- C63 H63 O27 Tb -","- C189 H189 O81 Tb3 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.71073","MoKα","","0.0384","0.0383","","","0.0934","0.0935","","","","","","0.984","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234540","27.0729","0.0011","27.0729","0.0011","7.637","0.0004","90","","90","","120","","4847.6","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","3","","- C63 H63 Ho O27 -","- C63 H63 Ho O27 -","- C189 H189 Ho3 O81 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.72","synchrotron","","0.0615","0.0615","","","0.1504","0.1504","","","","","","1.128","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234566","12.8757","0.0007","13.7673","0.0006","13.981","0.0006","112.203","0.004","112.169","0.005","101.951","0.004","1940.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Fe N11 O5 -","- C33 H21 Fe N11 O5 -","- C66 H42 Fe2 N22 O10 -","2","1","","You, Ming-Hua; Li, Meng-Hua; Liu, Yong-Fei; Li, Hao-Hong; Lin, Mei-Jin","Unprecedented five-fold interpenetrated donor-acceptor hybrid heterostructure induced by anion-π interactions","CrystEngComm","2019","","","","","10.1039/C9CE01416K","","","0.71073","MoKα","","0.13","0.0631","","","0.1469","0.1669","","","","","","0.871","","","","has coordinates","219303","2020-10-21","18:00:00",""
"7234567","17.4662","0.0004","19.7085","0.0004","20.633","0.0005","85.483","0.002","68.312","0.002","89.088","0.002","6578.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C230 H56 N8 S4 Zn2 -","- C228.5 H56 N8 S4 Zn2 -","- C457 H112 N16 S8 Zn4 -","2","1","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","1.54184","CuKα","","0.1081","0.098","","","0.2475","0.2578","","","","","","1.037","","","","has coordinates,has disorder","219304","2020-10-21","18:00:00",""
"7234568","25.4112","0.0005","23.8293","0.0004","22.1557","0.0004","90","","90","","90","","13416","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C231 H56 Co2 N8 S6 -","- C231 H56 Co2 N8 S6 -","- C924 H224 Co8 N32 S24 -","4","0.5","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.0559","0.0405","","","0.0984","0.1066","","","","","","1.025","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234569","17.4771","0.0007","19.6561","0.0007","20.6533","0.0007","85.686","0.002","68.147","0.002","89.352","0.002","6565.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C115 H30 N4 S2 -","- C115 H30 N4 S2 -","- C460 H120 N16 S8 -","4","2","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.1624","0.1021","","","0.2605","0.2921","","","","","","1.087","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234570","7.8682","0.0003","10.5629","0.0004","11.607","0.0005","90","","106.552","0.005","90","","924.7","0.07","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H8 Cu2 O11 -","- C10 H2 Cu2 O10.99 -","- C20 H4 Cu4 O21.98 -","2","0.5","","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Lu, Guodong; Xuan, Xiaopeng","Cooperative proton transportation based on the reversible single crystal‒single crystal transformation in a highly water-stable Cu-MOF with its facile and scalable preparation","CrystEngComm","2019","","","","","10.1039/C9CE01334B","","x-ray","1.54184","CuKα","","0.0562","0.054","","","0.174","0.1771","","","","","","1.161","","","","has coordinates,has disorder","219305","2020-10-21","18:00:00",""
"7234571","5.4879","0.0005","9.4465","0.0018","29.547","0.002","91.818","0.01","92.824","0.007","100.708","0.011","1502","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O -","- C42 H29 N O -","- C84 H58 N2 O2 -","2","1","","Chen, Yali; Huang, Zengfang; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen","A novel AIE-active dye for fluorescent nanoparticles by one-pot combination of Hantzsch reaction and RAFT polymerization: synthesis, molecular structure and application in cell imaging","RSC Advances","2019","9","56","32601","","10.1039/C9RA06452D","","x-ray","0.71073","MoKα","","0.1388","0.0878","","","0.2189","0.2347","","","","","","1.17","","","","has coordinates,has disorder","219312","2020-10-21","18:00:00",""
"7234597","8.562","0.002","26.558","0.006","13.38","0.003","90","","94.261","0.003","90","","3034.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 Cu2 N4 O11 -","- C20 H36 Cl2 Cu2 N4 O11 -","- C80 H144 Cl8 Cu8 N16 O44 -","4","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0764","0.0488","","","0.126","0.1373","","","","","","1.05","","","","has coordinates,has disorder","219342","2020-10-21","18:00:00",""
"7234598","16.35","0.002","22.735","0.004","9.2574","0.0013","90","","124.421","0.004","90","","2838.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Cl Cu2 N6 O5 S2 -","- C20.9976 H30.9936 Cl Cu2 N6 O5 S2 -","- C83.9904 H123.974 Cl4 Cu8 N24 O20 S8 -","4","0.5","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.074","0.0502","","","0.1196","0.1333","","","","","","1.054","","","","has coordinates,has disorder","219342","2020-10-21","18:00:00",""
"7234599","8.68","0.003","31.891","0.013","9.216","0.004","90","","97.6","0.005","90","","2528.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl3 Cu2 N7 O9 -","- C16 H24 Cl3 Cu2 N7 O9 -","- C64 H96 Cl12 Cu8 N28 O36 -","4","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0875","0.0504","","","0.1097","0.1273","","","","","","1.01","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234600","25.2711","0.001","14.5525","0.0006","16.6199","0.0006","90","","90","","90","","6112.1","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H33 Cu2 N7 O S3 -","- C23 H33 Cu2 N7 O S3 -","- C184 H264 Cu16 N56 O8 S24 -","8","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0776","0.0557","","","0.1503","0.1695","","","","","","1.027","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234601","5.732","0.0003","11.2839","0.0006","12.309","0.0007","83.794","0.002","82.313","0.002","77.034","0.002","766.35","0.07","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0638","0.037","","","0.066","0.085","","","","","","1.053","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234602","5.6832","0.0002","11.0865","0.0004","12.2076","0.0005","82.9822","0.0014","82.3948","0.0012","77.3857","0.0012","740.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0162","0.0157","","","0.0387","0.039","","","","","","0.985","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234603","5.7219","0.0002","11.2301","0.0004","12.2908","0.0004","83.6745","0.0016","82.3392","0.0014","77.163","0.0014","760.51","0.05","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0539","0.0361","","","0.0646","0.0796","","","","","","1.061","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234604","10.9466","0.0005","16.4851","0.0007","8.6575","0.0003","90","","96.0062","0.0019","90","","1553.72","0.11","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.072 H11.072 Cl1.9498 I1.0251 N -","- C64.288 H44.288 Cl7.7992 I4.1004 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.1405","0.0662","","","0.0704","0.0794","","","","","","1.082","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234605","10.9007","0.0003","16.4319","0.0004","8.6457","0.0002","90","","96.2379","0.001","90","","1539.44","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.092 H11.092 Cl1.954 I1.023 N -","- C64.368 H44.368 Cl7.816 I4.092 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0554","0.0328","","","0.0638","0.0762","","","","","","1.141","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234606","9.285","0.005","10.118","0.005","15.913","0.008","80.568","0.006","81.516","0.006","65.604","0.006","1337.8","1.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","3-phenylpyrrolidine-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C60 H54 N6 O12 -","6","3","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0762","0.047","","","0.1132","0.1299","","","","","","1.03","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234607","15.51","0.14","5.64","0.05","20.49","0.16","90","","108.1","0.1","90","","1704","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.1352","0.0691","","","0.1326","0.1687","","","","","","0.866","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234608","15.57","0.04","5.719","0.015","20.69","0.06","90","","107.77","0.02","90","","1754","8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0581","0.0368","","","0.0846","0.095","","","","","","0.988","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234609","15.564","0.005","5.7158","0.0019","20.595","0.008","90","","107.363","0.006","90","","1748.7","1.1","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenylpyrrolidine-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0757","0.0429","","","0.0867","0.0993","","","","","","1.017","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234610","15.575","0.006","5.711","0.002","20.567","0.008","90","","107.533","0.005","90","","1744.4","1.1","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0497","0.0331","","","0.0773","0.085","","","","","","1.025","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234611","27.313","0.008","9.409","0.003","24.649","0.007","90","","107.956","0.004","90","","6026","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cl2 Cu N10 O -","- C26 H36 Cl2 Cu N10 O -","- C208 H288 Cl16 Cu8 N80 O8 -","8","1","","Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja","Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions","Green Chemistry","2019","","","","","10.1039/C9GC02647A","","","0.71073","MoKα","","0.1146","0.0595","","","0.1358","0.1876","","","","","","1.06","","","","has coordinates,has disorder","219349","2020-10-21","18:00:00",""
"7234612","21.678","0.002","11.7948","0.0013","17.695","0.003","90","","90","","90","","4524.4","1","298","2","298","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H31 N9 -","- C23 H31 N9 -","- C184 H248 N72 -","8","1","","Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja","Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions","Green Chemistry","2019","","","","","10.1039/C9GC02647A","","","0.71073","MoKα","","0.0604","0.0469","","","0.1038","0.1129","","","","","","1.098","","","","has coordinates,has disorder","219349","2020-10-21","18:00:00",""
"7234613","14.918","0.001","11.9455","0.0008","16.2476","0.0011","90","","110.94","0.002","90","","2704.1","0.3","173","2","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Cl2 Cu F3 N8 O5 S -","- C18 H31 Cl2 Cu F3 N8 O5 S -","- C72 H124 Cl8 Cu4 F12 N32 O20 S4 -","4","1","","Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja","Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions","Green Chemistry","2019","","","","","10.1039/C9GC02647A","","","0.71073","MoKα","","0.0742","0.0471","","","0.128","0.161","","","","","","1.123","","","","has coordinates","219349","2020-10-21","18:00:00",""
"7234614","8.4954","0.0008","11.7314","0.0011","19.281","0.0018","100.763","0.002","99.35","0.002","108.877","0.002","1734.2","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H32 Cl Cu F6 N9 O6 S2 -","- C25 H32 Cl Cu F6 N9 O6 S2 -","- C50 H64 Cl2 Cu2 F12 N18 O12 S4 -","2","1","","Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja","Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions","Green Chemistry","2019","","","","","10.1039/C9GC02647A","","","0.71073","MoKα","","0.1196","0.0819","","","0.2246","0.2612","","","","","","1.053","","","","has coordinates","219349","2020-10-21","18:00:00",""
"7234615","8.1817","0.0003","15.7088","0.0007","24.5591","0.0011","90","","95.921","0.001","90","","3139.6","0.2","273","2","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Cl2 Cu N9 O2 -","- C25 H39 Cl2 Cu N9 O2 -","- C100 H156 Cl8 Cu4 N36 O8 -","4","1","","Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja","Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions","Green Chemistry","2019","","","","","10.1039/C9GC02647A","","","0.71073","MoKα","","0.0667","0.0486","","","0.1375","0.1548","","","","","","1.055","","","","has coordinates","219349","2020-10-21","18:00:00",""
"7234616","13.188","0.004","10.266","0.004","26.26","0.016","90","","93","0.03","90","","3550","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 N3 Si2 Zn -","- C33 H51 N3 Si2 Zn -","- C132 H204 N12 Si8 Zn4 -","4","1","","D'Auria, Ilaria; D'Alterio, Massimo Christian; Tedesco, Consiglia; Pellecchia, Claudio","Tailor-made block copolymers of l-, d- and rac-lactides and ε-caprolactone via one-pot sequential ring opening polymerization by pyridylamidozinc(ii) catalysts","RSC Advances","2019","9","56","32771","","10.1039/C9RA07133D","","","1.54178","CuKα","","0.0418","0.0361","","","0.0945","0.0989","","","","","","1.035","","","","has coordinates","219353","2020-10-21","18:00:00",""
"7234617","8.671","0.004","8.736","0.003","19.457","0.01","78.79","0.03","84.49","0.04","67.01","0.03","1330.6","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 Zn -","- C28 H36 N2 Zn -","- C56 H72 N4 Zn2 -","2","1","","D'Auria, Ilaria; D'Alterio, Massimo Christian; Tedesco, Consiglia; Pellecchia, Claudio","Tailor-made block copolymers of l-, d- and rac-lactides and ε-caprolactone via one-pot sequential ring opening polymerization by pyridylamidozinc(ii) catalysts","RSC Advances","2019","9","56","32771","","10.1039/C9RA07133D","","","0.71073","MoKα","","0.3627","0.1157","","","0.2698","0.4085","","","","","","0.994","","","","has coordinates","219353","2020-10-21","18:00:00",""
"7234647","6.978","0.0006","14.762","0.0013","12.3395","0.001","90","","100.14","0.003","90","","1251.23","0.18","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0322","0.0303","","","0.0734","0.0749","","","","","","1.066","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234648","15.872","0.003","7.3428","0.0012","9.2728","0.0015","90","","90","","90","","1080.7","0.3","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C36 H60 Cl8 N8 O2 -","2","0.5","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0261","0.0257","","","0.0686","0.0688","","","","","","1.093","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234649","9.6563","0.0005","11.4146","0.0007","24.6751","0.0014","90","","90","","90","","2719.8","0.3","173.01","","173.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl8 Cu2 N4 O -","- C18 H30 Cl8 Cu2 N4 O -","- C72 H120 Cl32 Cu8 N16 O4 -","4","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0213","0.0211","","","0.0543","0.0544","","","","","","1.243","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234673","12.018","0.004","22.054","0.006","9.3","0.003","90","","101.617","0.005","90","","2414.4","1.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 N10 S2 -","- C18 H34 N10 S2 -","- C72 H136 N40 S8 -","4","1","","de Sousa Carvalho, Jr., Paulo de Sousa; Guimarães, Gelton Geraldo Fernandes; Diniz, Luan Farinelli; Ellena, Javier A.; Ribeiro, Caue","High water soluble agrichemicals by engineered organic salts for reducing adverse environmental impacts","Green Chemistry","2019","","","","","10.1039/C9GC02439E","","","0.71073","MoKα","","0.0943","0.0561","","","0.1373","0.1604","","","","","","1.022","","","","has coordinates,has disorder","219394","2020-10-21","18:00:00",""
"7234674","18.132","0.003","11.105","0.002","16.92","0.003","90","","95.693","0.003","90","","3390.1","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N10 O8 S2 -","- C26 H42 N10 O8 S2 -","- C104 H168 N40 O32 S8 -","4","1","","de Sousa Carvalho, Jr., Paulo de Sousa; Guimarães, Gelton Geraldo Fernandes; Diniz, Luan Farinelli; Ellena, Javier A.; Ribeiro, Caue","High water soluble agrichemicals by engineered organic salts for reducing adverse environmental impacts","Green Chemistry","2019","","","","","10.1039/C9GC02439E","","","0.71073","MoKα","","0.1004","0.095","","","0.2327","0.2364","","","","","","1.082","","","","has coordinates,has disorder","219394","2020-10-21","18:00:00",""
"7234675","8.53","0.0003","9.831","0.0003","22.657","0.0008","90","","111.574","0.001","90","","1766.87","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N5 O4 S -","- C13 H21 N5 O4 S -","- C52 H84 N20 O16 S4 -","4","1","","de Sousa Carvalho, Jr., Paulo de Sousa; Guimarães, Gelton Geraldo Fernandes; Diniz, Luan Farinelli; Ellena, Javier A.; Ribeiro, Caue","High water soluble agrichemicals by engineered organic salts for reducing adverse environmental impacts","Green Chemistry","2019","","","","","10.1039/C9GC02439E","","","0.71073","MoKα","","0.0789","0.059","","","0.1761","0.1934","","","","","","1.011","","","","has coordinates","219394","2020-10-21","18:00:00",""
"7234676","8.825","0.0004","9.764","0.0005","12.08","0.0006","107.075","0.004","100.749","0.003","96.427","0.003","962.04","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N5 O5.5 S -","- C13 H24 N5 O5.5 S -","- C26 H48 N10 O11 S2 -","2","1","","de Sousa Carvalho, Jr., Paulo de Sousa; Guimarães, Gelton Geraldo Fernandes; Diniz, Luan Farinelli; Ellena, Javier A.; Ribeiro, Caue","High water soluble agrichemicals by engineered organic salts for reducing adverse environmental impacts","Green Chemistry","2019","","","","","10.1039/C9GC02439E","","","0.71073","MoKα","","0.1097","0.067","","","0.1827","0.2178","","","","","","1.032","","","","has coordinates,has disorder","219394","2020-10-21","18:00:00",""
"7234677","13.495","0.003","16.262","0.003","23.781","0.005","90","","99.226","0.004","90","","5151.4","1.8","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N15 O12 S3 -","- C39 H63 N15 O12 S3 -","- C156 H252 N60 O48 S12 -","4","1","","de Sousa Carvalho, Jr., Paulo de Sousa; Guimarães, Gelton Geraldo Fernandes; Diniz, Luan Farinelli; Ellena, Javier A.; Ribeiro, Caue","High water soluble agrichemicals by engineered organic salts for reducing adverse environmental impacts","Green Chemistry","2019","","","","","10.1039/C9GC02439E","","x-ray","0.71073","MoKα","","0.0671","0.0545","","","0.1436","0.1531","","","","","","1.028","","","","has coordinates,has disorder","219394","2020-10-21","18:00:00",""
"7234678","9.8556","0.0005","20.0974","0.0011","22.9588","0.0012","90","","92.578","0.002","90","","4542.9","0.4","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Er K O8 -","- C48 H72 Er K O8 -","- C192 H288 Er4 K4 O32 -","4","1","","Hilgar, Jeremy D.; Butts, Aaron K.; Rinehart, Jeffrey D.","A method for extending AC susceptometry to long-timescale magnetic relaxation.","Physical chemistry chemical physics : PCCP","2019","","","","","10.1039/c9cp03936h","","","1.34139","GaKα","","0.0552","0.0422","","","0.0953","0.0996","","","","","","1.061","","","","has coordinates,has disorder","219395","2020-10-21","18:00:00",""
"7234691","32.4701","0.0018","16.2657","0.0009","10.7306","0.0006","90","","90","","90","","5667.4","0.5","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H64 N4 O14 -","- C64 H64 N4 O14 -","- C256 H256 N16 O56 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0515","0.0404","","","0.0927","0.0988","","","","","","1.038","","","","has coordinates","223533","2020-10-21","18:00:00",""
"7234692","12.4398","0.0005","27.9839","0.0011","15.9403","0.0006","90","","91.647","0.002","90","","5546.8","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H65 Mn N3 O20 -","- C57 H55 Mn N3 O20 -","- C228 H220 Mn4 N12 O80 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.1058","0.0852","","","0.2477","0.2733","","","","","","1.041","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234693","14.8977","0.0004","29.2369","0.0009","12.7603","0.0005","90","","90","","90","","5557.9","0.3","100","2","100.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H49 Cu N3 O14 -","- C56.333 H42 Cu N2 O14 -","- C225.332 H168 Cu4 N8 O56 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0707","0.0654","","","0.1786","0.1843","","","","","","1.062","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234694","17.772","0.0018","11.6573","0.0012","29.512","0.003","90","","101.183","0.003","90","","5998","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 N8 O18 -","- C60 H60 N8 O18 -","- C240 H240 N32 O72 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.71073","MoKα","","0.1468","0.0883","","","0.2359","0.2817","","","","","","1.028","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234695","9.674","0.0006","10.0787","0.0006","11.7148","0.0007","96.88","0.001","92.322","0.001","114.91","0.001","1023.23","0.11","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd2 N4 O16 -","- C40 H36 Cd2 N4 O16 -","- C40 H36 Cd2 N4 O16 -","1","0.5","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0374","0.0336","","","0.0927","0.1089","","","","","","1.177","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234696","10.5787","0.001","16.396","0.0016","14.3239","0.0013","90","","110.304","0.002","90","","2330.1","0.4","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cd N3 O9 -","- C23 H22 Cd N3 O9 -","- C92 H88 Cd4 N12 O36 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0546","0.0515","","","0.1589","0.1644","","","","","","1.082","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234697","10.624","0.009","16.457","0.013","14.415","0.011","90","","110.51","0.019","90","","2361","3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cd N3 O9 -","- C23 H22 Cd N3 O9 -","- C92 H88 Cd4 N12 O36 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0597","0.0552","","","0.1662","0.1755","","","","","","1.075","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234698","10.624","0.009","16.457","0.013","14.415","0.011","90","","110.51","0.019","90","","2361","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H24.5 Cd N2.5 O10 -","- C21.5 H24.5 Cd N2.5 O10 -","- C86 H98 Cd4 N10 O40 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0268","0.0252","","","0.0633","0.0643","","","","","","1.116","","","","has coordinates,has disorder","219411","2020-10-21","18:00:00",""
"7234699","7.4557","0.0005","19.1019","0.0013","15.6785","0.001","90","","93.186","0.002","90","","2229.4","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0578","0.0525","","","0.1735","0.1797","","","","","","1.086","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234700","7.403","0.003","17.584","0.006","18.374","0.006","76.445","0.011","79.816","0.012","79.751","0.012","2265.2","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N4 O2 -","- C30 H22 N4 O2 -","- C120 H88 N16 O8 -","4","2","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.131","0.0828","","","0.2037","0.2413","","","","","","1.126","","","","has coordinates","219413","2020-10-21","18:00:00",""
"7234701","9.382","0.006","18.747","0.012","17.729","0.011","90","","97.799","0.007","90","","3089","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 N10 O4 -","- C80 H56 N10 O4 -","- C160 H112 N20 O8 -","2","0.5","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.1491","0.0596","","","0.1247","0.1662","","","","","","1.073","","","","has coordinates","219413","2020-10-21","18:00:00",""
"7234702","9.7943","0.001","12.0978","0.0012","13.8839","0.0014","89.39","0.003","78.85","0.003","72.021","0.003","1533.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 N10 O10 -","- C72 H60 N10 O10 -","- C72 H60 N10 O10 -","1","0.5","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.0956","0.0631","","","0.1966","0.2352","","","","","","1.064","","","","has coordinates","219413","2020-10-21","18:00:00",""
"7234703","14.2921","0.0009","11.4224","0.0007","14.482","0.001","90","","102.49","0.006","90","","2308.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N2 O -","- C15 H11 N2 O -","- C120 H88 N16 O8 -","8","1","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.0732","0.0503","","","0.1201","0.138","","","","","","1.075","","","","has coordinates","219413","2020-10-21","18:00:00",""
"7234731","8.14","0.0006","13.4654","0.0005","16.3082","0.0008","90","","90","","90","","1787.51","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 I N2 O4 -","- C16 H17 I N2 O4 -","- C64 H68 I4 N8 O16 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0407","0.0364","","","0.0757","0.0781","","","","","","1.048","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234732","8.3915","0.0007","10.0389","0.0008","10.2106","0.0009","111.275","0.008","96.662","0.007","95.904","0.007","786.3","0.13","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl I N2 O4 -","- C14 H12 Cl I N2 O4 -","- C28 H24 Cl2 I2 N4 O8 -","2","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0574","0.049","","","0.1281","0.1351","","","","","","1.053","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234733","23.0873","0.001","9.6374","0.0003","7.245","0.0003","90","","106.961","0.004","90","","1541.91","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 I N2 O5 -","- C14 H13 I N2 O5 -","- C56 H52 I4 N8 O20 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.028","0.0257","","","0.0452","0.046","","","","","","1.023","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234734","8.288","0.002","11.555","0.003","11.805","0.003","90","","91.113","0.006","90","","1130.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","CL-20-HTFAZ","","","- C12 H7 N19 O15 -","- C12 H7 N19 O15 -","- C24 H14 N38 O30 -","2","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Zhang, Qian; Xu, Minghui; Mo, Hongchang; Wang, Bozhou","Preparation of CL-20/TFAZ cocrystals under aqueous condition: balancing high performance and low sensitivity","CrystEngComm","2019","","","","","10.1039/C9CE01221D","","","0.71073","MoKα","","0.1199","0.0566","","","0.0787","0.0993","","","","","","0.985","","","","has coordinates","219433","2020-10-21","18:00:00",""
"7234735","32.915","0.004","16.124","0.002","34.303","0.004","90","","91.696","0.004","90","","18197","4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H41 Cu2 N O14 -","- C52 H41 Cu2 N O14 -","- C416 H328 Cu16 N8 O112 -","8","1","","Xiang, Rui-Qi; Niu, Yan-Fei; Han, Jie; Lau, Yat-Long; Wu, Hai-Hong; Zhao, Xiao-Li","A neutral Cu-based MOF for effective quercetin extraction and conversion from natural onion juice","RSC Advances","2019","9","58","33716","","10.1039/C9RA04551A","","","1.34139","GaKα","","0.2121","0.0928","","","0.2177","0.2798","","","","","","0.857","","","","has coordinates","219451","2020-10-21","18:00:00",""
"7234736","26.93","0.003","12.9179","0.0018","12.95","0.0014","90","","107.491","0.003","90","","4296.7","0.9","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C208 H168 Cl8 N16 O16 -","8","1","","Fawzy, Nehmedo G.; Panda, Siva S.; Fayad, Walid; Shalaby, ElSayed M.; Srour, Aladdin M.; Girgis, Adel S.","Synthesis, human topoisomerase IIα inhibitory properties and molecular modeling studies of anti-proliferative curcumin mimics","RSC Advances","2019","9","58","33761","","10.1039/C9RA05661K","","","0.71073","MoKα","","0.0787","0.0386","","0.1038","0.0771","0.0771","","","","","","0.9493","","","","has coordinates","219452","2020-10-21","18:00:00",""
"7234737","14.374","0.003","8.059","0.0016","18.554","0.004","90","","96.61","0.03","90","","2135","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 F2 N2 O2 -","- C26 H20 F2 N2 O2 -","- C104 H80 F8 N8 O8 -","4","1","","Fawzy, Nehmedo G.; Panda, Siva S.; Fayad, Walid; Shalaby, ElSayed M.; Srour, Aladdin M.; Girgis, Adel S.","Synthesis, human topoisomerase IIα inhibitory properties and molecular modeling studies of anti-proliferative curcumin mimics","RSC Advances","2019","9","58","33761","","10.1039/C9RA05661K","","","0.7","MoKα","","0.0763","0.0636","","0.1841","0.1772","0.1772","","","","","","0.998","","","","has coordinates","219452","2020-10-21","18:00:00",""
"7234738","18.1605","0.0007","7.4488","0.0003","26.122","0.001","90","","97.314","0.001","90","","3504.9","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H126 O17 -","- C72 H126 O17 -","- C144 H252 O34 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0465","0.0444","","","0.1184","0.1204","","","","","","1.034","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234739","11.7747","0.0001","12.4564","0.0001","14.179","0.0001","90","","98","","90","","2059.4","0.03","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H76 O11 -","- C40 H76 O11 -","- C80 H152 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0378","0.0377","","","0.0996","0.0997","","","","","","1.042","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234740","11.5408","0.0018","12.3313","0.0017","14.1447","0.0019","90","","95.908","0.007","90","","2002.3","0.5","170.21","","170.21","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H74 O11 -","- C39 H74 O11 -","- C78 H148 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0517","0.043","","","0.0905","0.0952","","","","","","1.072","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234741","11.4907","0.0006","12.3599","0.0006","14.0787","0.0008","90","","96.646","0.003","90","","1986.08","0.18","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H71 O11 -","- C38 H72 O11 -","- C76 H144 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0385","0.0351","","","0.0783","0.0808","","","","","","1.047","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234742","15.856","0.003","7.5818","0.0015","16.567","0.003","90","","117.95","0.03","90","","1759.3","0.8","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H64 O9 -","- C36 H64 O9 -","- C72 H128 O18 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0384","0.0338","","","0.0841","0.0877","","","","","","1.016","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234743","15.9962","0.0001","11.9543","0.0001","20.14","0.0002","90","","101.98","","90","","3767.36","0.05","170.15","","170.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H132 O20 -","- C72 H124 O19.5 -","- C144 H248 O39 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.047","0.045","","","0.1249","0.1275","","","","","","1.029","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234744","16.2329","0.0019","11.8682","0.0012","20.21","0.003","90","","103.607","0.007","90","","3784.3","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H68 O9 -","- C38 H68 O9 -","- C152 H272 O36 -","4","2","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0574","0.0487","","","0.1211","0.1293","","","","","","1.051","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234745","17.2218","0.0006","13.242","0.0004","17.2998","0.0005","90","","90","","90","","3945.2","0.2","293.8","0.2","293.8","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 F3 O3 -","- C23 H17 F3 O3 -","- C184 H136 F24 O24 -","8","1","","Peng, Fu; Zhao, Qian; Huang, Wei; Liu, Shuai-Jiang; Zhong, Ya-Jun; Mao, Qing; Zhang, Nan; He, Gu; Han, Bo","Amine-catalyzed and functional group-controlled chemo- and regioselective synthesis of multi-functionalized CF3-benzene via a metal-free process","Green Chemistry","2019","","","","","10.1039/C9GC02694K","","x-ray","1.54184","CuKα","","0.0739","0.065","","","0.1607","0.1709","","","","","","1.085","","","","has coordinates","219460","2020-10-21","18:00:00",""
"7234746","7.9917","0.0005","8.305","0.0006","11.875","0.0007","107.623","0.006","97.098","0.005","91.682","0.005","743.55","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F3 N O2 -","- C17 H12 F3 N O2 -","- C34 H24 F6 N2 O4 -","2","1","","Peng, Fu; Zhao, Qian; Huang, Wei; Liu, Shuai-Jiang; Zhong, Ya-Jun; Mao, Qing; Zhang, Nan; He, Gu; Han, Bo","Amine-catalyzed and functional group-controlled chemo- and regioselective synthesis of multi-functionalized CF3-benzene via a metal-free process","Green Chemistry","2019","","","","","10.1039/C9GC02694K","","x-ray","1.54184","CuKα","","0.0624","0.057","","","0.1626","0.1702","","","","","","1.038","","","","has coordinates","219460","2020-10-21","18:00:00",""
"7234747","15.884","0.0006","7.23","0.0002","32.8613","0.0011","90","","90.675","0.003","90","","3773.6","0.2","292.4","0.5","292.4","0.5","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H15 Br N O2 -","- C22 H15 Br N O2 -","- C176 H120 Br8 N8 O16 -","8","1","","Peng, Fu; Zhao, Qian; Huang, Wei; Liu, Shuai-Jiang; Zhong, Ya-Jun; Mao, Qing; Zhang, Nan; He, Gu; Han, Bo","Amine-catalyzed and functional group-controlled chemo- and regioselective synthesis of multi-functionalized CF3-benzene via a metal-free process","Green Chemistry","2019","","","","","10.1039/C9GC02694K","","x-ray","1.54184","CuKα","","0.0641","0.0582","","","0.1593","0.1688","","","","","","1.022","","","","has coordinates","219460","2020-10-21","18:00:00",""
"7234748","10.353","0.004","12.285","0.006","14.373","0.005","101.162","0.012","107.318","0.01","107.004","0.013","1588.1","1.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Co2 N8 O13 -","- C76 H62 Co2 N8 O13 -","- C76 H62 Co2 N8 O13 -","1","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0439","0.0334","","","0.0824","0.0876","","","","","","1.027","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234749","10.336","0.008","12.301","0.01","14.368","0.011","101.18","0.02","107.255","0.019","107.055","0.019","1587","2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Co2 N8 O14 -","- C76 H60 Co2 N8 O14 -","- C76 H60 Co2 N8 O14 -","1","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0668","0.0464","","","0.1194","0.1306","","","","","","1.064","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234750","13.407","0.006","12.528","0.004","15.55","0.01","90","","114.216","0.019","90","","2382","2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Co N4 O10 -","- C56 H40 Co N4 O10 -","- C112 H80 Co2 N8 O20 -","2","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0773","0.0443","","","0.0968","0.1099","","","","","","1.041","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234751","14.1122","0.0009","27.0471","0.0018","9.1595","0.0007","90","","108.227","0.002","90","","3320.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 Co N10 O8 -","- C80 H56 Co N10 O8 -","- C160 H112 Co2 N20 O16 -","2","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0644","0.0422","","","0.0937","0.1035","","","","","","1.029","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234752","7.0708","0.0006","9.0071","0.0007","15.9404","0.0013","98.578","0.004","99.7","0.003","106.58","0.004","937.95","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin ferulic acid cocrystal","","- C18 H16 N4 O9 -","- C18 H16 N4 O9 -","- C36 H32 N8 O18 -","2","1","","Barua, Harsh; Gunnam, Anilkumar; Yadav, Balvant; Nangia, Ashwini; Shastri, Nalini R.","An ab initio molecular dynamics method for cocrystal prediction: A validation of the approach","CrystEngComm","2019","","","","","10.1039/C9CE01436E","","","0.71073","MoKα","","0.0428","0.0358","","","0.0935","0.0987","","","","","","1.105","","","","has coordinates","219468","2020-10-21","18:00:00",""
"7234753","7.7093","0.0005","14.9332","0.0009","23.5619","0.0014","90","","90","","90","","2712.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 N O3 P -","- C35 H28 N O3 P -","- C140 H112 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0738","0.0488","","","0.092","0.1011","","","","","","1.025","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234754","7.1528","0.0007","15.2774","0.0016","43.271","0.004","90","","90","","90","","4728.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C216 H200 Cl8 N8 O24 P8 -","8","2","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0687","0.0511","","","0.1145","0.1246","","","","","","1.037","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234755","6.8897","0.0003","14.6971","0.0006","12.2755","0.0005","90","","103.491","0.003","90","","1208.7","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C54 H50 Cl2 N2 O6 P2 -","2","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0777","0.0479","","","0.1086","0.1254","","","","","","1.011","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234756","8.1428","0.001","11.1701","0.0012","25.718","0.003","90","","90","","90","","2339.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C108 H100 Cl4 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0413","0.0368","","","0.0935","0.0964","","","","","","1.058","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234757","13.9925","0.0002","13.9925","0.0002","13.9925","0.0002","90","","90","","90","","2739.59","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Na -","- C6 H14 B3 F12 N2 Na -","- C48 H112 B24 F96 N16 Na8 -","8","0.333333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.0921","0.0839","","","0.2061","0.2102","","","","","","1.242","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7234758","7.1593","0.0013","7.1593","0.0013","7.1593","0.0013","90","","90","","90","","366.95","0.12","408","2","408","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C12 H28 B6 F24 N4 Na2 -","- C9.1 B3 F12 Na -","- C9.1 B3 F12 Na -","1","0.0208333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.2858","0.2329","","","0.6364","0.6589","","","","","","2.567","","","","has coordinates","219470","2020-10-21","18:00:00",""
"7234759","6.6564","0.0002","10.3704","0.0003","17.9622","0.0006","90","","90","","90","","1239.92","0.07","150","2","150","2","","","","","","","Fomitopsis pinicola","3","P 21 21 21","P 2ac 2ab","19","","Fomitopin-A","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Tai, Shih-Huang; Kuo, Ping-Chung; Hung, Ching-Che; Lin, Ying-Hsuan; Hwang, Tsong-Long; Lam, Sio Hong; Kuo, Daih-Huang; Wu, Jin-Bin; Hung, Hsin-Yi; Wu, Tian-Shung","Bioassay-guided purification of sesquiterpenoids from the fruiting bodies of Fomitopsis pinicola and their anti-inflammatory activity","RSC Advances","2019","9","59","34184","","10.1039/C9RA05899K","","x-ray","1.54178","CuKα","","0.0407","0.0375","","","0.0975","0.1","","","","","","1.022","","","","has coordinates","219483","2020-10-21","18:00:00",""
"7234760","6.5794","0.0003","11.6584","0.0006","14.6736","0.0008","91.4149","0.0017","101.297","0.0016","104.866","0.0016","1063.45","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","x-ray","0.71073","MoKα","","0.049","0.0406","","","0.1103","0.1182","","","","","","1.023","","","","has coordinates","219484","2020-10-21","18:00:00",""
"7234761","10.3776","0.0004","17.4561","0.0005","10.9103","0.0004","90","","117.674","0.0013","90","","1750.33","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","","0.71073","MoKα","","0.1025","0.0956","","","0.2513","0.257","","","","","","1.153","","","","has coordinates","219484","2020-10-21","18:00:00",""
"7234762","22.5681","0.0016","11.6407","0.0007","15.4198","0.0008","90","","91.255","0.003","90","","4049.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C200 H152 N24 O24 -","8","1","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","x-ray","0.71073","MoKα","","0.0602","0.0418","","","0.1004","0.1113","","","","","","1.012","","","","has coordinates","219484","2020-10-21","18:00:00",""
"7234763","24.7105","0.0017","7.8341","0.0005","19.1111","0.0012","90","","111.589","0.003","90","","3440.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","2","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","x-ray","0.71073","MoKα","","0.0675","0.0503","","","0.1277","0.1413","","","","","","1.037","","","","has coordinates","219484","2020-10-21","18:00:00",""
"7234764","28.1534","0.0016","13.4987","0.0008","31.1648","0.0019","90","","90","","90","","11843.7","1.2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H83 N6 O75 P2 Re2 W17 -","- C30 N6 O75 P2 Re2 W17 -","- C120 N24 O300 P8 Re8 W68 -","4","0.5","","Niu, Jingyang; Lu, Jingkun; Feng, Junwei; Ma, Xinyi; Wang, Ping; Xu, Baijie; He, Peipei; Jia, Jiage; Ma, Pengtao; Wang, Jingping","A new phoshotungstate-supported rhenium carbonyl derivative: synthesis, characterization and catalytic selective oxidation of thiophenes","CrystEngComm","2019","","","","","10.1039/C9CE01124B","","","0.71073","MoKα","","0.1","0.0606","","","0.1273","0.1463","","","","","","1.086","","","","has coordinates","219503","2020-10-21","18:00:00",""
"7234765","16.8716","0.0006","11.2042","0.0004","18.2255","0.0008","90","","111.644","0.001","90","","3202.3","0.2","273.15","","273.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C68 H62 N2 O25 Tb2 -","- C68 H62 N2 O25 Tb2 -","- C136 H124 N4 O50 Tb4 -","2","0.5","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Niu, Xiao-Yan; Hu, Tuoping","A Bifunctional 3D Tb-Based Metal−Organic Framework for Sensing and Removal of Antibiotics in Aqueous Medium","CrystEngComm","2019","","","","","10.1039/C9CE01303B","","","0.71076","MoKα","","0.0535","0.0297","","","0.055","0.0605","","","","","","1.011","","","","has coordinates,has disorder","219520","2020-10-21","18:00:00",""
"7234799","8.2155","0.0005","9.0903","0.0006","28.4307","0.0015","90","","89.934","0.006","90","","2123.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl4 N4 Zn2 -","- C15 H20 Cl4 N4 Zn2 -","- C60 H80 Cl16 N16 Zn8 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1029","0.0613","","","0.1424","0.162","","","","","","1.035","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234800","11.1502","0.0016","7.9734","0.0011","24.052","0.004","90","","101.187","0.014","90","","2097.7","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl4 N4 Zn2 -","- C15 H20 Cl4 N4 Zn2 -","- C60 H80 Cl16 N16 Zn8 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0835","0.0575","","","0.1406","0.1535","","","","","","1.048","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234801","8.8131","0.0005","10.9659","0.0005","18.8718","0.0011","90","","90","","90","","1823.84","0.17","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Ag N5 O4 -","- C15 H20 Ag N5 O4 -","- C60 H80 Ag4 N20 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0645","0.05","","","0.1153","0.1242","","","","","","1.04","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234802","10.0058","0.0003","13.0872","0.0004","16.0032","0.0004","90","","93.587","0.003","90","","2091.48","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd2 Cl4 N4 -","- C15 H20 Cd2 Cl4 N4 -","- C60 H80 Cd8 Cl16 N16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0535","0.043","","","0.0941","0.0988","","","","","","1.055","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234803","8.5231","0.0005","12.7666","0.0006","21.774","0.0016","90","","94.182","0.005","90","","2362.9","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H26 Ag N7 O11 -","- C15 H22 Ag N7 O11 -","- C60 H88 Ag4 N28 O44 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1359","0.1005","","","0.2688","0.3008","","","","","","1.046","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234804","9.2925","0.0017","17.4748","0.0016","11.801","0.0014","90","","90","","90","","1916.3","0.5","295","2","295","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1488","0.0719","","","0.1572","0.195","","","","","","1.034","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234805","13.2119","0.0009","13.2119","0.0009","19.7637","0.0017","90","","90","","120","","2987.6","0.4","295","2","295","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C15 H20 Cd N4 O4 S -","- C15 H20 Cd N4 O4 S -","- C90 H120 Cd6 N24 O24 S6 -","6","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0847","0.0591","","","0.1514","0.1666","","","","","","1.031","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234806","10.1912","0.0012","11.3272","0.0005","18.475","0.001","90","","103.764","0.009","90","","2071.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cd N6 O7 -","- C15 H22 Cd N6 O7 -","- C60 H88 Cd4 N24 O28 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0898","0.0608","","","0.1584","0.1766","","","","","","1.022","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234807","8.9927","0.0007","10.6548","0.0008","19.9208","0.0011","90","","90","","90","","1908.7","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0995","0.0625","","","0.1633","0.1908","","","","","","1.039","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234808","9.4896","0.0004","11.622","0.0004","19.7734","0.0008","90","","90","","90","","2180.77","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cd Cl2 N4 O9 -","- C15 H22 Cd Cl2 N4 O9 -","- C60 H88 Cd4 Cl8 N16 O36 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0783","0.0712","","","0.1872","0.1956","","","","","","1.018","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234809","14.095","0.002","9.4714","0.0014","11.1536","0.0018","90","","102.69","0.009","90","","1452.6","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O10 -","- C13 H16 O10 -","- C52 H64 O40 -","4","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.1396","0.108","","","0.3398","0.3577","","","","","","1.172","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234810","5.709","0.004","12.143","0.008","14.775","0.009","90","","90","","90","","1024.3","1.2","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O9 -","- C9 H8 O9 -","- C36 H32 O36 -","4","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.0664","0.0373","","","0.079","0.09","","","","","","0.989","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234811","10.764","0.008","11.06","0.008","25.394","0.019","90","","90","","90","","3023","4","296.15","","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O10 -","- C13 H16 O10 -","- C104 H128 O80 -","8","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.1538","0.0942","","","0.1967","0.2404","","","","","","1.021","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234812","11.6926","0.001","5.2936","0.0005","12.0745","0.0011","90","","118.255","0.001","90","","658.31","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 O6 -","- C6 H6 O6 -","- C24 H24 O24 -","4","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.0409","0.038","","","0.1399","0.1448","","","","","","1.298","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234813","8.238","0.007","13.923","0.012","17.649","0.015","90","","90","","90","","2024","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl3 O10 -","- C15 H17 Cl3 O10 -","- C60 H68 Cl12 O40 -","4","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.1207","0.0658","","","0.1611","0.1913","","","","","","1.031","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234814","8.1712","0.0011","13.873","0.002","12.3934","0.0017","90","","92.098","0.006","90","","1404","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(2-Hydroxy-5-methylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C64 H52 N12 O16 -","4","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0744","0.0552","","","0.1534","0.1723","","","","","","1.038","","","","has coordinates","220353","2020-10-21","18:00:00",""
"7234815","11.725","0.0005","13.3565","0.0006","10.1992","0.0004","90","","114.332","0.002","90","","1455.37","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Hydroxy-5-ethylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C68 H60 N12 O16 -","4","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0588","0.0455","","","0.1235","0.1332","","","","","","1.047","","","","has coordinates","220353","2020-10-21","18:00:00",""
"7234816","23.336","0.003","6.924","0.0006","17.2853","0.0018","90","","108.798","0.003","90","","2644","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(5-Fluoro-2-hydroxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","- C15 H10 F N3 O4 -","- C15 H10 F N3 O4 -","- C120 H80 F8 N24 O32 -","8","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0533","0.0427","","","0.1151","0.1232","","","","","","1.042","","","","has coordinates","220353","2020-10-21","18:00:00",""
"7234817","8.403","0.0004","9.6898","0.0004","10.911","0.0007","105.87","0.002","98.586","0.002","102.351","0.004","814.1","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-(2-Hydroxy-5-isopropylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H) -dione","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C36 H34 N6 O8 -","2","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0656","0.0478","","","0.1379","0.1557","","","","","","1.04","","","","has coordinates","220353","2020-10-21","18:00:00",""
"7234818","13.0298","0.0003","27.8366","0.0007","9.0204","0.0002","90","","109.862","0.001","90","","3077.12","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br2 Co N8 Na O4 -","- C21 H22 Br2 Co N8 Na O4 -","- C84 H88 Br8 Co4 N32 Na4 O16 -","4","1","","Ghosh, Kousik; Sil, Sayantan; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Chattopadhyay, Shouvik","Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)‒Na complex with a compartmental Schiff base ligand","RSC Advances","2019","9","60","34710","","10.1039/C9RA06354D","","","0.71073","MoKα","","0.068","0.0382","","","0.0834","0.0903","","","","","","0.997","","","","has coordinates","220354","2020-10-21","18:00:00",""
"7234858","12.3067","0.0003","18.4393","0.0004","21.0597","0.0005","90","","90","","90","","4779.01","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O S -","- C28 H26 N2 O S -","- C224 H208 N16 O8 S8 -","8","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Wu, Yue-Hua; Zhao, Ming-gang; Liang, Jin-Yan","Combined inorganic base promoted N-addition/[2,3]-sigmatropic rearrangement to construct homoallyl sulfur-containing pyrazolones","RSC Advances","2019","9","60","34912","","10.1039/C9RA07610G","","","0.71","MoKα","","0.0927","0.0669","","","0.186","0.206","","","","","","1.057","","","","has coordinates,has disorder","220531","2020-10-21","18:00:00",""
"7234859","10.7413","0.0003","10.7413","0.0003","20.7748","0.0013","90","","90","","90","","2396.9","0.18","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cd0.5 N3 O -","- C12 H8 Cd0.5 N3 O -","- C96 H64 Cd4 N24 O8 -","8","1","","Wu, Yuandi; Lin, Meihua; Liu, Dongyang; Liu, Ming; Qian, Jing","Two-dimensional Cd(ii) coordination polymer encapsulated by Tb3+ as a reversible luminescent probe for Fe3+","RSC Advances","2019","9","60","34949","","10.1039/C9RA06639J","","","0.71073","MoKα","","0.0244","0.024","","","0.062","0.0623","","","","","","1.069","","","","has coordinates","220532","2020-10-21","18:00:00",""
"7234880","9.3608","0.0003","9.9545","0.0004","17.4674","0.0005","93.775","0.003","102.159","0.002","112.23","0.003","1453.7","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N16 O20 Zn2 -","- C48 H56 N16 O20 Zn2 -","- C48 H56 N16 O20 Zn2 -","1","0.5","","Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k","Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application","CrystEngComm","2019","","","","","10.1039/C9CE01357A","","x-ray","0.71073","MoKα","","0.0583","0.0433","","","0.1082","0.1143","","","","","","1.075","","","","has coordinates","220578","2020-10-21","18:00:00",""
"7234881","10.1917","0.0003","18.4359","0.0005","11.7353","0.0003","90","","95.771","0.002","90","","2193.81","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cd N12 O12 -","- C42 H42 Cd N12 O12 -","- C84 H84 Cd2 N24 O24 -","2","0.5","","Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k","Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application","CrystEngComm","2019","","","","","10.1039/C9CE01357A","","x-ray","0.71073","MoKα","","0.1022","0.0496","","","0.0832","0.0969","","","","","","0.966","","","","has coordinates","220578","2020-10-21","18:00:00",""
"7234882","6.063","0.004","9.023","0.007","11.915","0.008","96.04","0.03","90.884","0.019","90.83","0.02","648","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ethyl 5-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinoline-1-carboxylate","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C30 H28 N4 O6 -","2","1","","Ramu, Gopathi; Ambala, Srinivas; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Regioselective ring expansion followed by H-shift of 3-ylidene oxindoles: a convenient synthesis of N-substituted/un-substituted pyrrolo[2,3-c] quinolines and marinoquinolines","RSC Advances","2019","9","60","35068","","10.1039/C9RA07831B","","","0.71073","MoKα","","0.0524","0.0406","","","0.1299","0.1521","","","","","","1.019","","","","has coordinates","220585","2020-10-21","18:00:00",""
"7234916","7.7024","0.0011","15.716","0.002","18.368","0.003","90","","90","","90","","2223.5","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C72 H120 Cl16 N16 O4 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0342","0.0323","","","0.0775","0.0789","","","","","","1.12","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234917","6.9923","0.0005","14.3694","0.001","12.7878","0.0009","90","","101.514","0.002","90","","1259","0.15","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0377","0.0368","","","0.0973","0.0979","","","","","","1.074","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234918","9.8247","0.0004","9.8247","0.0004","32.973","0.002","90","","90","","120","","2756.3","0.2","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H24 Cl2 Cu N4 -","- C18 H24 Cl2 Cu N4 -","- C108 H144 Cl12 Cu6 N24 -","6","0.5","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0333","0.0322","","","0.0783","0.0789","","","","","","1.174","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234919","13.7107","0.0008","23.0021","0.0014","7.9717","0.0004","90","","90","","90","","2514.1","0.2","150","2","149.65","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Cl6 Cu N4 -","- C18 H28 Cl6 Cu N4 -","- C72 H112 Cl24 Cu4 N16 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0864","0.0646","","","0.1546","0.1669","","","","","","1.036","","","","has coordinates,has disorder","223240","2020-10-21","18:00:00",""
"7234920","16.54","0.02","5.411","0.007","17.9","0.02","90","","100.47","0.02","90","","1575","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metropolol","1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol]","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.4226","0.079","","","0.0901","0.1541","","","","","","0.857","","","","has coordinates","223241","2020-10-21","18:00:00",""
"7234921","8.174","0.0017","9.264","0.002","14.884","0.003","98.244","0.005","96.622","0.004","99.623","0.005","1088.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-N-isopropyl-3-(4-(2-methoxyethyl)phenoxy)propan-1-aminium nicotinate","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C42 H60 N4 O10 -","2","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.2085","0.0779","","","0.2109","0.2763","","","","","","0.975","","","","has coordinates","223241","2020-10-21","18:00:00",""
"7234922","22.5314","0.0007","18.9885","0.0008","7.8845","0.0003","90","","90","","90","","3373.3","0.2","300","2","300.15","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.1203","0.0527","","","0.1171","0.1477","","","","","","1.005","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234923","11.894","0.002","19.099","0.004","7.8047","0.0016","90","","108.91","0.03","90","","1677.3","0.6","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C24 H64 Br20 N8 Sb4 -","4","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0415","0.0313","","","0.0643","0.0691","","","","","","1.019","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234924","22.4485","0.0006","18.9653","0.0005","7.9488","0.0002","90","","90","","90","","3384.14","0.15","325","2","325.15","","","","","","","","","5","B b e m","-B 2 2ab","64","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","0.5","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0741","0.0454","","","0.1136","0.129","","","","","","1.023","","","","has coordinates,has disorder","223242","2020-10-21","18:00:00",""
"7234925","11.2465","0.0003","11.2465","0.0003","11.2217","0.0006","90","","90","","120","","1229.2","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba0.5 Ga0.33 I2 O6 -","- Ba0.5 Ga0.333333 I2 O6 -","- Ba4.5 Ga3 I18 O54 -","9","0.5","","Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai","Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12","CrystEngComm","2019","21","33","4981","","10.1039/C9CE00814D","","","0.71073","MoKα","","0.0409","0.0397","","","0.0941","0.0948","","","","","","1.083","","","","has coordinates","223244","2020-10-21","18:00:00",""
"7234926","12.5378","0.0017","12.7153","0.0017","21.843","0.003","90","","102.085","0.004","90","","3405.1","0.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H26 Cd N4 O7 -","- C41 H26 Cd N4 O7 -","- C164 H104 Cd4 N16 O28 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0756","0.0467","","","0.0989","0.1119","","","","","","0.974","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234927","9.9901","0.0009","10.2697","0.001","21.862","0.002","86.042","0.002","87.985","0.002","63.233","0.002","1997.8","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cd3 N4 O16 -","- C43 H30 Cd3 N4 O16 -","- C86 H60 Cd6 N8 O32 -","2","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.05","0.0389","","","0.0992","0.109","","","","","","1.04","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234928","9.7767","0.0008","10.1909","0.0008","12.5613","0.001","66.905","0.001","74.382","0.002","71.258","0.002","1075.35","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","1","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0282","0.0252","","","0.067","0.0692","","","","","","1.075","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234929","9.6398","0.0008","12.1917","0.0011","25.562","0.002","90","","90","","90","","3004.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C132 H88 Cd4 N16 O32 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0449","0.0365","","","0.0671","0.071","","","","","","1.014","","","","has coordinates,has disorder","223245","2020-10-21","18:00:00",""
"7234930","14.0389","0.001","13.765","0.0009","28.8767","0.0018","90","","98.241","0.001","90","","5522.7","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H46 Cd3 N8 O16 -","- C58 H46 Cd3 N8 O16 -","- C232 H184 Cd12 N32 O64 -","4","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0318","0.0267","","","0.0577","0.0597","","","","","","1.058","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234931","21.5195","0.0007","8.8433","0.0003","16.5517","0.0005","90","","90.697","0.003","90","","3149.61","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I5 O3 -","- C9 H7 I5 O3 -","- C72 H56 I40 O24 -","8","2","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0386","0.0266","","","0.0499","0.0547","","","","","","1.02","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234932","37.861","0.003","9.2563","0.0005","9.274","0.0005","90","","90","","90","","3250.1","0.4","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H4 I5 K O4 -","- C7 I5 K O4 -","- C56 I40 K8 O32 -","8","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.0834","0.0859","","","","","","1.109","","","","has coordinates,has disorder","223246","2020-10-21","18:00:00",""
"7234933","17.9973","0.0006","11.054","0.0005","10.3194","0.0004","90","","90","","90","","2052.96","0.14","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 I5 N O2 -","- C13 H16 I5 N O2 -","- C52 H64 I20 N4 O8 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0417","0.0385","","","0.0856","0.0874","","","","","","1.107","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234934","8.2333","0.0004","15.4642","0.0009","20.9533","0.0009","90","","90","","90","","2667.8","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 I5 N2 O3 -","- C19 H29 I5 N2 O3 -","- C76 H116 I20 N8 O12 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0383","0.0322","","","0.0584","0.0614","","","","","","1.021","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234935","8.324","0.0004","16.4369","0.0006","9.5423","0.0004","90","","98.004","0.004","90","","1292.87","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 I5 N O2 -","- C19 H28 I5 N O2 -","- C38 H56 I10 N2 O4 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0332","0.0314","","","0.069","0.07","","","","","","1.064","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234936","7.006","0.005","9.684","0.005","11.987","0.005","69.91","0.005","89.44","0.005","84.97","0.005","760.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cl4 N3 O Sn -","- C9 H13 Cl4 N3 O Sn -","- C18 H26 Cl8 N6 O2 Sn2 -","2","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.1083","0.0743","","","0.1708","0.204","","","","","","1.061","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234937","7.0873","0.0002","18.2022","0.0006","20.2832","0.0007","90","","90","","90","","2616.62","0.15","290","2","290","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H18 Cl6 N4 O2 Sn -","- C18 H18 Cl6 N4 O2 Sn -","- C72 H72 Cl24 N16 O8 Sn4 -","4","0.25","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.0628","0.0474","","","0.1185","0.13","","","","","","1.052","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234938","8.472","0.0011","20.459","0.003","7.199","0.0016","90","","96.958","0.016","90","","1238.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.1063","0.0521","","","0.1136","0.1407","","","","","","1.058","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234939","11.7417","0.0014","9.6253","0.0015","22.1211","0.0015","90","","99.154","0.008","90","","2468.2","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 N3 O3 -","- C25 H41 N3 O3 -","- C100 H164 N12 O12 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.0746","0.0482","","","0.1033","0.1187","","","","","","1.027","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234940","17.8761","0.0015","20.1749","0.0011","31.536","0.003","90","","104.661","0.008","90","","11003.1","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 N8 O7 -","- C54 H90 N8 O7 -","- C432 H720 N64 O56 -","8","2","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.136","0.076","","","0.1947","0.2331","","","","","","1.052","","","","has coordinates,has disorder","223248","2020-10-21","18:00:00",""
"7234941","34.2069","0.0007","57.0341","0.0009","12.1673","0.0002","90","","90","","90","","23737.9","0.7","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72.79 H45.79 Fe3 N4.36 O13 S6 -","- C72.79 H45.79 Fe3 N4.358 O13 S6 -","- C582.32 H366.32 Fe24 N34.864 O104 S48 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","x-ray","0.6889","Synchrotron","","0.1221","0.1143","","","0.3166","0.3262","","","","","","1.37","","","","has coordinates,has disorder","223249","2020-10-21","18:00:00",""
"7234942","41.3632","0.0011","18.7393","0.0004","17.7052","0.0004","90","","90","","90","","13723.6","0.6","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22.86 H14.62 N0.6 O8.12 Zn2 -","- C22.863 H14.609 N0.595 O8.121 Zn2 -","- C365.808 H233.744 N9.52 O129.936 Zn32 -","16","2","","Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes","CrystEngComm","2019","21","31","4578","","10.1039/C9CE00759H","","","0.71073","MoKα","","0.0847","0.07","","","0.17","0.1791","","","","","","1.062","","","","has coordinates,has disorder","223250","2020-10-21","18:00:00",""
"7234943","14.223","0.002","19.574","0.003","19.197","0.003","90","","90","","90","","5344.5","1.4","103","2","103","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C19 H24 B Cu3 N9 S3 W -","- C19 H24 B Cu3 N9 S3 W -","- C152 H192 B8 Cu24 N72 S24 W8 -","8","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.0523","0.0439","","","0.1551","0.1614","","","","","","1.077","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234944","19.2754","0.0019","18.5717","0.0018","19.6406","0.0019","90","","90","","90","","7030.9","1.2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C188 H236 B8 Cu24 N76 O4 S24 W8 -","4","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.04","0.0286","","","0.0826","0.0946","","","","","","1.135","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234945","19.161","0.003","22.823","0.004","19.486","0.003","90","","90","","90","","8521","2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C28 H35 B Cu3 N10 O S3 W -","- C28 H35 B Cu3 N10 O S3 W -","- C224 H280 B8 Cu24 N80 O8 S24 W8 -","8","1","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.1388","0.0877","","","0.2194","0.2557","","","","","","1.056","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234946","14.3757","0.0017","14.3757","0.0017","14.3757","0.0017","90","","90","","90","","2970.9","0.6","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C24 H9 N3 O18 Sc2 -","- C24 H9 N3 O18 Sc2 -","- C96 H36 N12 O72 Sc8 -","4","0.166667","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0439","0.0395","","","0.1115","0.1142","","","","","","1.129","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234947","22.401","0.003","22.401","0.003","11.964","0.002","90","","90","","90","","6003.6","1.5","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H5 N O5 Sc -","- C8 H5 N O5 Sc -","- C128 H80 N16 O80 Sc16 -","16","0.5","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0692","0.0649","","","0.2007","0.2042","","","","","","1.223","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234948","13.9899","0.0004","13.9899","0.0004","13.9899","0.0004","90","","90","","90","","2738.07","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 N3 O12 Sc2 -","- C24 H15 N3 O12 Sc2 -","- C96 H60 N12 O48 Sc8 -","4","0.333333","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0464","0.0348","","","0.0655","0.0682","","","","","","0.946","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234949","17.5069","0.0007","17.4747","0.0006","14.4628","0.0005","90","","109.016","0.001","90","","4183.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N8 O11 -","- C41 H39 Cd2 N8 O11 -","- C164 H156 Cd8 N32 O44 -","4","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0748","0.0469","","","0.1069","0.1199","","","","","","1.012","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234950","11.28","0.003","12.21","0.003","25.674","0.006","88.707","0.003","80.776","0.002","71.884","0.003","3315.9","1.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","1","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.111","0.056","","","0.1219","0.1397","","","","","","0.977","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234951","26.7899","0.0014","9.0952","0.0005","25.996","0.0013","90","","90","","90","","6334.2","0.6","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C132 H108 N20 Ni4 O24 -","- C132 H108 N20 Ni4 O24 -","- C264 H216 N40 Ni8 O48 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1139","0.0924","","","0.1876","0.1976","","","","","","1.193","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234952","45.4283","0.0015","9.7068","0.0003","21.2371","0.0007","90","","109.192","0.001","90","","8844.3","0.5","190","","190.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Mn8 N32 O44 -","- C168 H168 Mn8 N32 O44 -","- C336 H336 Mn16 N64 O88 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1152","0.0882","","","0.2375","0.2588","","","","","","1.05","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234953","33.1406","0.0009","33.1406","0.0009","37.1579","0.0009","90","","90","","120","","35342.9","1.6","150.15","","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H32 N8 Ni2 O9 -","- C37.656 H25.656 N7 Ni2 O8 -","- C677.808 H461.808 N126 Ni36 O144 -","18","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0711","0.0497","","","0.1214","0.1283","","","","","","1.028","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234954","8.3695","0.0003","9.5289","0.0004","10.7213","0.0004","92.4","0.002","94.961","0.002","91.395","0.002","850.76","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 B F4 N S6 -","- C13 H7 B F4 N S6 -","- C26 H14 B2 F8 N2 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0359","0.0281","","","0.0661","0.0686","","","","","","1.045","","","","has coordinates","223271","2020-10-21","18:00:00",""
"7234955","7.1297","0.0003","11.6789","0.0004","12.491","0.0004","98.522","0.001","92.306","0.001","100.265","0.002","1009.77","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 N6 Ni S16 -","- C34 H14 N6 Ni S16 -","- C34 H14 N6 Ni S16 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0383","0.0298","","","0.0695","0.0725","","","","","","1.026","","","","has coordinates,has disorder","223271","2020-10-21","18:00:00",""
"7234956","8.5243","0.0004","9.529","0.0005","10.5733","0.0005","84.939","0.002","82.003","0.002","84.714","0.002","844.4","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl N O4 S6 -","- C13 H7 Cl N O4 S6 -","- C26 H14 Cl2 N2 O8 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0472","0.0354","","","0.0874","0.093","","","","","","1.013","","","","has coordinates","223271","2020-10-21","18:00:00",""
"7234957","7.0948","0.0005","11.7077","0.0008","12.6897","0.001","99.134","0.002","91.941","0.004","99.753","0.002","1023.65","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Au N6 S16 -","- C34 H14 Au N6 S16 -","- C34 H14 Au N6 S16 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0416","0.034","","","0.0697","0.0723","","","","","","1.035","","","","has coordinates,has disorder","223271","2020-10-21","18:00:00",""
"7234958","10.917","0.002","11.636","0.002","13.446","0.003","89.384","0.003","79.203","0.003","84.122","0.003","1668.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N4 O11 Zn2 -","- C36 H24 N4 O11 Zn2 -","- C72 H48 N8 O22 Zn4 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0803","0.0418","","","0.0896","0.0982","","","","","","1.026","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234959","9.9092","0.0015","10.9883","0.0016","12.2949","0.0018","66.678","0.002","70.06","0.002","84.85","0.002","1154.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C52 H32 Cd2 N4 O18 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0294","0.0264","","","0.0892","0.0928","","","","","","0.976","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234960","10.0899","0.0013","19.568","0.003","19.173","0.002","90","","94.124","0.002","90","","3775.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cd2 N4 O11 -","- C40 H34 Cd2 N4 O11 -","- C160 H136 Cd8 N16 O44 -","4","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0402","0.0291","","","0.0662","0.0696","","","","","","0.997","","","","has coordinates","223272","2020-10-21","18:00:00",""
"7234961","10.2873","0.0012","11.9666","0.0014","15.7978","0.0018","71.816","0.002","87.414","0.002","87.665","0.002","1845","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O13 Zn2 -","- C40 H28 N4 O13 Zn2 -","- C80 H56 N8 O26 Zn4 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0729","0.0475","","","0.1204","0.1297","","","","","","0.959","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234962","11.0786","0.0014","11.1584","0.0015","12.1289","0.0016","110.499","0.002","99.773","0.002","108.381","0.002","1264.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Cd2 N3 O10 -","- C26 H17 Cd2 N3 O10 -","- C52 H34 Cd4 N6 O20 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0259","0.0224","","","0.0585","0.0601","","","","","","1.065","","","","has coordinates","223272","2020-10-21","18:00:00",""
"7234963","10.7764","0.0008","11.1622","0.0008","17.2141","0.0013","104.681","0.001","99.18","0.001","97.213","0.001","1947.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 Cd4 O29 -","- C32 H32 Cd4 O29 -","- C64 H64 Cd8 O58 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0248","0.0225","","","0.056","0.0571","","","","","","1.023","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234971","7.7955","0.0004","23.1127","0.001","9.1369","0.0004","90","","107.358","0.001","90","","1571.27","0.13","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F2 N2 O -","- C20 H13 B F2 N2 O -","- C80 H52 B4 F8 N8 O4 -","4","1","","Yan, Xiaojing; Zhu, Pengcheng; Zhou, Zhiguo; Yang, Hong; Lan, Haichuang; Xiao, Shuzhang","Aggregation-induced emission enhancement (AIEE)-active boron-difluoride dyes with reversible mechanochromic fluorescence","RSC Advances","2019","9","61","35872","","10.1039/C9RA07437F","","","1.54178","CuKα","","0.0477","0.0423","","","0.13","0.1368","","","","","","1.131","","","","has coordinates","223285","2020-10-21","18:00:00",""
"7234972","11.6231","0.0019","11.723","0.004","11.9007","0.0019","98.741","0.003","113.202","0.002","100.38","0.003","1420.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C H N O -","- C2.64286 H1.85714 N0.428571 -","- C74 H52 N12 -","28","14","","Gu, Yun-Qiong; Shen, Wen-Ying; Mi, Yan; Jing, Yan-Fang; Yuan, Jing-Mei; Yu, Peng; Zhu, Xiao-Min; Hu, Fei-Long","Dual-response detection of Ni2+ and Cu2+ ions by a pyrazolopyrimidine-based fluorescent sensor and the application of this sensor in bioimaging","RSC Advances","2019","9","61","35671","","10.1039/C9RA06227K","","","0.71073","MoKα","","0.0698","0.0468","","","0.1634","0.2003","","","","","","0.722","","","","has coordinates","223286","2020-10-21","18:00:00",""
"7234973","5.3792","0.0007","10.8315","0.0014","13.1574","0.0017","108.397","0.006","97.733","0.006","98.586","0.006","705.67","0.16","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br F6 O9 S2 -","- C24 H19 Br F6 O9 S2 -","- C24 H19 Br F6 O9 S2 -","1","0.5","","Clasen, Anne; Wenderoth, Sarah; Tavernaro, Isabella; Fleddermann, Jana; Kraegeloh, Annette; Jung, Gregor","Kinetic and spectroscopic responses of pH-sensitive nanoparticles: influence of the silica matrix","RSC Advances","2019","9","61","35695","","10.1039/C9RA06047B","","","0.71073","MoKα","","0.0699","0.0532","","","0.1476","0.1608","","","","","","1.055","","","","has coordinates,has disorder","223287","2020-10-21","18:00:00",""
"7234974","5.4124","0.0003","13.1343","0.0007","17.3655","0.001","87.33","0.004","87.521","0.004","83.123","0.004","1223.38","0.12","142","2","142","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br F6 O7 S2 -","- C23 H15 Br F6 O7 S2 -","- C46 H30 Br2 F12 O14 S4 -","2","1","","Clasen, Anne; Wenderoth, Sarah; Tavernaro, Isabella; Fleddermann, Jana; Kraegeloh, Annette; Jung, Gregor","Kinetic and spectroscopic responses of pH-sensitive nanoparticles: influence of the silica matrix","RSC Advances","2019","9","61","35695","","10.1039/C9RA06047B","","","0.71073","MoKα","","0.0772","0.0488","","","0.1156","0.128","","","","","","1.049","","","","has coordinates,has disorder","223287","2020-10-21","18:00:00",""
"7234975","7.3617","0.0006","9.6029","0.0008","13.0788","0.001","76.512","0.007","76.556","0.007","71.936","0.007","841.85","0.12","223","","223","","","","","","","","","7","P -1","-P 1","2","","Li[FSA]:MP=1:0.5","","- C4 H6 F4 Li2 N2 O11 S4 -","- C4 H6 F4 Li2 N2 O11 S4 -","- C8 H12 F8 Li4 N4 O22 S8 -","2","1","","Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.","Physical chemistry chemical physics : PCCP","2019","21","9","5097","5105","10.1039/c9cp00425d","","","0.71073","MoKα","","0.0762","0.052","","","0.1364","0.1553","","","","","","1.1084","","","","has coordinates","223439","2020-10-21","18:00:00",""
"7234976","11.185","0.0005","10.466","0.0005","20.4745","0.0009","90","","90.679","0.004","90","","2396.62","0.19","223","2","223","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F12 Li2 N2 O11 S4 -","- C9 H8 F12 Li2 N2 O11 S4 -","- C36 H32 F48 Li8 N8 O44 S16 -","4","1","","Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.","Physical chemistry chemical physics : PCCP","2019","21","9","5097","5105","10.1039/c9cp00425d","","x-ray","0.71073","MoKα","","0.0773","0.0621","","","0.171","0.1837","","","","","","1.0606","","","","has coordinates","223439","2020-10-21","18:00:00",""
"7234977","6.8424","0.0006","9.4438","0.0008","21.2231","0.0018","102.009","0.007","98.937","0.007","90.685","0.007","1323.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N4 O10 V2 -","- C24 H34 N4 O10 V2 -","- C48 H68 N8 O20 V4 -","2","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight","RSC Advances","2019","9","60","35165","","10.1039/C9RA07006K","","","0.71073","MoKα","","0.1002","0.0638","","","0.1281","0.1432","","","","","","0.954","","","","has coordinates","223446","2020-10-21","18:00:00",""
"7234978","10.0908","0.0009","13.733","0.001","21.1628","0.0015","90","","90","","90","","2932.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Br2 N4 O10 V2 -","- C24 H32 Br2 N4 O10 V2 -","- C96 H128 Br8 N16 O40 V8 -","4","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight","RSC Advances","2019","9","60","35165","","10.1039/C9RA07006K","","","0.71073","MoKα","","0.0466","0.0356","","","0.0926","0.0987","","","","","","1.058","","","","has coordinates","223446","2020-10-21","18:00:00",""
"7234979","11.8375","0.0009","12.1648","0.0009","13.9559","0.001","90","","102.868","0.001","90","","1959.2","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Zhang, Meili; Zheng, Yanjin; Liu, Min; Ren, Yixia; Wang, Zhixiang; Cao, Jia; Wang, Jijiang","Two zinc(ii) coordination polymers based on flexible co-ligands featuring assembly imparted sensing abilities for Cr2O72− and o-NP","RSC Advances","2019","9","37","21086","","10.1039/C9RA03822A","","","0.71073","MoKα","","0.0609","0.0571","","","0.203","0.2071","","","","","","1.0468","","","","has coordinates","223453","2020-10-21","18:00:00",""
"7234980","12.474","0.003","13.755","0.003","12.771","0.003","90","","105.09","0.003","90","","2115.7","0.8","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N4 O5 Zn -","- C22 H20 N4 O5 Zn -","- C88 H80 N16 O20 Zn4 -","4","1","","Zhang, Meili; Zheng, Yanjin; Liu, Min; Ren, Yixia; Wang, Zhixiang; Cao, Jia; Wang, Jijiang","Two zinc(ii) coordination polymers based on flexible co-ligands featuring assembly imparted sensing abilities for Cr2O72− and o-NP","RSC Advances","2019","9","37","21086","","10.1039/C9RA03822A","","","0.71073","MoKα","","0.0513","0.0474","","","0.1516","0.157","","","","","","1.0371","","","","has coordinates","223453","2020-10-21","18:00:00",""
"7234981","17.9013","0.0003","17.9013","0.0003","42.9649","0.0008","90","","90","","90","","13768.4","0.4","93","","93","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C88 H56 Fe2 N8 O -","- C88 H56 Fe2 N8 O -","- C704 H448 Fe16 N64 O8 -","8","0.5","","Sakakibara, Erika; Shisaka, Yuma; Onoda, Hiroki; Koga, Daiki; Xu, Ning; Ono, Toshikazu; Hisaeda, Yoshio; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Watanabe, Yoshihito; Shoji, Osami","Highly malleable haem-binding site of the haemoprotein HasA permits stable accommodation of bulky tetraphenylporphycenes","RSC Advances","2019","9","32","18697","","10.1039/C9RA02872B","","x-ray","0.71073","MoKα","","0.0798","0.0546","","","0.1466","0.1745","","","","","","1.082","","","","has coordinates","223454","2020-10-21","18:00:00",""
"7234982","25.8426","0.001","12.5139","0.0005","7.1398","0.0003","90","","95.895","0.001","90","","2296.74","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Cd N2 O9 -","- C26 H14 Cd N2 O9 -","- C104 H56 Cd4 N8 O36 -","4","0.5","","Wang, Ji-Jiang; Cao, Zhuang; Wang, Xiao; Tang, Long; Hou, Xiang-Yang; Ju, Ping; Ren, Yi-Xia; Chen, Xiao-Li; Zhang, Yu-Qi","A novel 3D Cd(ii) coordination polymer generated via in situ ligand synthesis involving C‒O ester bond formation","RSC Advances","2019","9","1","307","","10.1039/C8RA06112B","","","0.71073","MoKα","","0.0207","0.0201","","","0.0607","0.061","","","","","","1.08","","","","has coordinates","223455","2020-10-21","18:00:00",""
"7234983","9.5425","0.0011","9.9857","0.0012","20.978","0.002","88.645","0.002","83.015","0.002","64.759","0.002","1793.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cu2 N6 O13 -","- C36 H20 Cu2 N6 O13 -","- C72 H40 Cu4 N12 O26 -","2","1","","Wang, Ji-Jiang; Cao, Zhuang; Wang, Xiao; Tang, Long; Hou, Xiang-Yang; Ju, Ping; Ren, Yi-Xia; Chen, Xiao-Li; Zhang, Yu-Qi","A novel 3D Cd(ii) coordination polymer generated via in situ ligand synthesis involving C‒O ester bond formation","RSC Advances","2019","9","1","307","","10.1039/C8RA06112B","","","0.71073","MoKα","","0.0872","0.0541","","","0.1546","0.172","","","","","","1.049","","","","has coordinates,has disorder","223455","2020-10-21","18:00:00",""
"7234984","12.14","0.004","12.715","0.004","13.939","0.004","110.148","0.004","112.543","0.004","92.07","0.004","1830.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Cd2 N6 O14 -","- C40 H24 Cd2 N6 O14 -","- C80 H48 Cd4 N12 O28 -","2","1","","Wang, Ji-Jiang; Cao, Zhuang; Wang, Xiao; Tang, Long; Hou, Xiang-Yang; Ju, Ping; Ren, Yi-Xia; Chen, Xiao-Li; Zhang, Yu-Qi","A novel 3D Cd(ii) coordination polymer generated via in situ ligand synthesis involving C‒O ester bond formation","RSC Advances","2019","9","1","307","","10.1039/C8RA06112B","","","0.71073","MoKα","","0.0398","0.0273","","","0.0697","0.0867","","","","","","1.095","","","","has coordinates","223455","2020-10-21","18:00:00",""
"7234985","5.3825","0.0007","15.3166","0.0013","21.472","0.003","89.91","0.008","84.752","0.01","89.905","0.009","1762.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N S -","- C23 H21 N S -","- C92 H84 N4 S4 -","4","2","","Oswal, Preeti; Arora, Aayushi; Kaushal, Jolly; Rao, Gyandshwar Kumar; Kumar, Sushil; Singh, Ajai K.; Kumar, Arun","Ultra-small palladium nano-particles synthesized using bulky S/Se and N donor ligands as a stabilizer: application as catalysts for Suzuki‒Miyaura coupling","RSC Advances","2019","9","39","22313","","10.1039/C9RA03498F","","x-ray","1.54184","CuKα","","0.1042","0.0821","","","0.2427","0.2912","","","","","","1.131","","","","has coordinates","223456","2020-10-21","18:00:00",""
"7234986","11.7682","0.0009","13.1204","0.0011","19.9515","0.0016","77.621","0.004","77.484","0.003","85.254","0.004","2935.3","0.4","298","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H58 N2 O6 -","- C76 H58 N2 O6 -","- C152 H116 N4 O12 -","2","1","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.1022","0.059","","","0.1401","0.1612","","","","","","1.038","","","","has coordinates","223457","2020-10-21","18:00:00",""
"7234987","10.233","0.005","11.256","0.006","13.314","0.007","70.799","0.008","84.134","0.009","71.007","0.008","1369.4","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","PJ_B849_55","","- C36 H24 N2 O3 -","- C2.66667 H1.77778 N0.148148 O0.222222 -","- C72 H48 N4 O6 -","27","13.5","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.119","0.0958","","","0.3124","0.326","","","","","","1.107","","","","has coordinates","223457","2020-10-21","18:00:00",""
"7234988","9.8397","0.0015","38.561","0.006","14.122","0.002","90","","100.382","0.008","90","","5270.6","1.4","298","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 N2 O2 -","- C72 H50 N2 O2 -","- C288 H200 N8 O8 -","4","1","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.1486","0.0728","","","0.204","0.2574","","","","","","0.98","","","","has coordinates","223457","2020-10-21","18:00:00",""
"7234989","24.204","0.003","12.6309","0.0013","18.083","0.002","90","","90.124","0.007","90","","5528.3","1.1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O3 -","- C36 H24 N2 O3 -","- C288 H192 N16 O24 -","8","2","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.1247","0.0536","","","0.1182","0.1562","","","","","","1.018","","","","has coordinates","223457","2020-10-21","18:00:00",""
"7234990","16.0791","0.0003","11.5168","0.0002","29.4333","0.0006","90","","90","","90","","5450.45","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 N5 Se2 -","- C27 H29 N5 Se2 -","- C216 H232 N40 Se16 -","8","1","","Prabusankar, Ganesan; Raju, Gembali; Vaddamanu, Moulali; Muthukumaran, Nirmala; Sathyanarayana, Arruri; Nakamura, Shin-ya; Masaya, Yamane; Hisano, Kyohei; Tsutsumi, Osamu; Biswas, Chinmoy; Kumar Raavi, Sai Santosh","Luminescent zinc(ii) selone macrocyclic ring","RSC Advances","2019","9","26","14841","","10.1039/C9RA01819K","","x-ray","1.54184","CuKα","","0.0712","0.0515","","","0.1503","0.1786","","","","","","1.0417","","","","has coordinates","223458","2020-10-21","18:00:00",""
"7234991","11.5441","0.0009","14.9994","0.0013","18.5505","0.0018","90","","105.613","0.009","90","","3093.6","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 Br4 N10 Se4 Zn2 -","- C54 H58 Br4 N10 Se4 Zn2 -","- C108 H116 Br8 N20 Se8 Zn4 -","2","0.5","","Prabusankar, Ganesan; Raju, Gembali; Vaddamanu, Moulali; Muthukumaran, Nirmala; Sathyanarayana, Arruri; Nakamura, Shin-ya; Masaya, Yamane; Hisano, Kyohei; Tsutsumi, Osamu; Biswas, Chinmoy; Kumar Raavi, Sai Santosh","Luminescent zinc(ii) selone macrocyclic ring","RSC Advances","2019","9","26","14841","","10.1039/C9RA01819K","","","1.54184","CuKα","","0.0815","0.0524","","","0.1272","0.1676","","","","","","1.0377","","","","has coordinates","223458","2020-10-21","18:00:00",""
"7234992","8.6879","0.0003","15.9969","0.0006","11.3681","0.0004","90","","102.318","0.001","90","","1543.56","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 K2 O2 S4 -","- C30 H34 K2 O2 S4 -","- C60 H68 K4 O4 S8 -","2","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0308","0.027","","","0.0597","0.0615","","","","","","1.031","","","","has coordinates,has disorder","223459","2020-10-21","18:00:00",""
"7234993","14.9197","0.0008","14.9197","0.0008","18.2151","0.001","90","","90","","90","","4054.6","0.4","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C22 H26 K N O3 -","- C22 H26 K N O3 -","- C176 H208 K8 N8 O24 -","8","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0585","0.0382","","","0.0854","0.0958","","","","","","1.022","","","","has coordinates","223459","2020-10-21","18:00:00",""
"7234994","9.4637","0.0012","11.0911","0.0015","13.9898","0.0017","74.333","0.003","89.812","0.003","81.725","0.003","1398.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 K N O4 -","- C31 H36 K N O4 -","- C62 H72 K2 N2 O8 -","2","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0888","0.0576","","","0.1361","0.1567","","","","","","1.03","","","","has coordinates,has disorder","223459","2020-10-21","18:00:00",""
"7234995","10.9961","0.0006","17.9129","0.001","10.9897","0.0006","90","","111.963","0.0012","90","","2007.57","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 K N O3 -","- C22 H26 K N O3 -","- C88 H104 K4 N4 O12 -","4","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0468","0.0352","","","0.0874","0.0938","","","","","","1.026","","","","has coordinates","223459","2020-10-21","18:00:00",""
"7234996","11.7099","0.0016","11.7099","0.0016","27.227","0.004","90","","90","","90","","3733.4","0.9","299.92","","299.92","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H8 N0.5 O12 U -","- C19 H8 N0.5 O12 U -","- C152 H64 N4 O96 U8 -","8","0.5","","Dufaye, Maxime; Martin, Nicolas P.; Duval, Sylvain; Volkringer, Christophe; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc)2 followed by the formation of molecular poly-oxo cluster {U14} containing hemimellitate uranium(iv)","RSC Advances","2019","9","40","22795","","10.1039/C9RA03707A","","x-ray","0.71073","MoKα","","0.0407","0.0208","","","0.0422","0.0471","","","","","","1.024","","","","has coordinates","223460","2020-10-21","18:00:00",""
"7234997","18.247","0.002","18.247","0.002","29.034","0.003","90","","90","","90","","9667","1.8","99.99","","99.99","","","","","","","","","5","I -4","I -4","82","","","","- C88 H28 Cl8 O124 U14 -","- C88 H28 Cl8 O124 U14 -","- C176 H56 Cl16 O248 U28 -","2","0.25","","Dufaye, Maxime; Martin, Nicolas P.; Duval, Sylvain; Volkringer, Christophe; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc)2 followed by the formation of molecular poly-oxo cluster {U14} containing hemimellitate uranium(iv)","RSC Advances","2019","9","40","22795","","10.1039/C9RA03707A","","x-ray","0.71073","MoKα","","0.0835","0.0541","","","0.1327","0.1551","","","","","","1.048","","","","has coordinates","223460","2020-10-21","18:00:00",""
"7234998","7.76382","0.00019","15.1103","0.0004","24.2613","0.0006","90","","97.833","0.002","90","","2819.63","0.12","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Ag F6 N5 P -","- C27 H29 Ag F6 N5 P -","- C108 H116 Ag4 F24 N20 P4 -","4","1","","Prabusankar, Ganesan; Muthukumaran, Nirmala; Vaddamanu, Moulali; Raju, Gembali; Velappan, Kavitha; Sathyanarayana, Arruri; Masaya, Yamane; Sugiyama, Shohei; Hisano, Kyohei; Tsutsumi, Osamu","Blue-emitting acridine-tagged silver(i)-bis-N-heterocyclic carbene","RSC Advances","2019","9","13","7543","","10.1039/C9RA00281B","","x-ray","1.54184","CuKα","","0.063","0.0536","","","0.1528","0.1647","","","","","","1.0462","","","","has coordinates","223461","2020-10-21","18:00:00",""
"7234999","14.5818","0.0013","28.597","0.002","9.1804","0.0007","90","","90","","90","","3828.2","0.5","273.15","","273.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","","5I","","- C24 H16 N4 O -","- C24 H16 N4 O -","- C192 H128 N32 O8 -","8","1","","Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M.","Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide","RSC Advances","2019","9","49","28886","","10.1039/C9RA05975J","","","0.71073","MoKα","","0.1024","0.0998","","","0.3099","0.3136","","","","","","2.7026","","","","has coordinates","223462","2020-10-21","18:00:00",""
"7235000","9.5352","0.0004","16.8113","0.0008","11.9674","0.0005","90","","112.758","0.0013","90","","1769.01","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5a","","- C20 H14 N4 O -","- C20 H14 N4 O -","- C80 H56 N16 O4 -","4","1","","Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M.","Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide","RSC Advances","2019","9","49","28886","","10.1039/C9RA05975J","","","0.71073","MoKα","","0.0767","0.07","","","0.2503","0.2551","","","","","","2.093","","","","has coordinates","223462","2020-10-21","18:00:00",""
"7235001","11.1391","0.0003","15.8666","0.0004","17.4481","0.0005","90","","106.734","0.0012","90","","2953.18","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O8 -","- C30 H28 Cd N4 O8 -","- C120 H112 Cd4 N16 O32 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0499","0.0419","","","0.111","0.1181","","","","","","1.047","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235002","10.1473","0.0002","20.5033","0.0003","15.2045","0.0002","90","","93.378","0.0006","90","","3157.85","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd N4 O8 -","- C32 H34 Cd N4 O8 -","- C128 H136 Cd4 N16 O32 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0363","0.0311","","","0.0863","0.0901","","","","","","1.037","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235003","9.1676","0.0003","19.6407","0.0005","26.0274","0.0007","90","","94.9992","0.0009","90","","4668.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cd2 N4 O13 -","- C44 H38 Cd2 N4 O13 -","- C176 H152 Cd8 N16 O52 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0643","0.0488","","","0.1164","0.1238","","","","","","1.159","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235004","11.53","0.003","16.862","0.004","25.697","0.006","90","","98.067","0.004","90","","4947","2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)ethyl-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranoside","","- C44 H59 N9 O10 Si -","- C44 H59 N9 O10 Si -","- C176 H236 N36 O40 Si4 -","4","2","","Mukherjee, Mana Mohan; Xu, Peng; Stevens, Edwin D.; Kováč, Pavol","Towards the complete synthetic O-antigen of Vibrio cholerae O1, serotype inaba: improved synthesis of the conjugation-ready upstream terminal hexasaccharide determinant","RSC Advances","2019","9","62","36440","","10.1039/C9RA08232H","","","0.71073","MoKα","","0.0691","0.0445","","","0.1034","0.1171","","","","","","1.038","","","","has coordinates","225412","2020-10-21","18:00:00",""
"7235005","9.4804","0.0011","10.7188","0.0011","14.0027","0.0015","72.559","0.005","82.036","0.006","78.107","0.006","1323.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cu N4 O9 -","- C26 H30 Cu N4 O9 -","- C52 H60 Cu2 N8 O18 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.1431","0.0626","","","0.1458","0.1899","","","","","","1.038","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235006","7.9957","0.0009","12.0271","0.0011","12.697","0.0014","94.074","0.005","97.486","0.006","108.309","0.005","1141.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu N5 O7 -","- C24 H21 Cu N5 O7 -","- C48 H42 Cu2 N10 O14 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.091","0.0497","","","0.1168","0.1437","","","","","","1.04","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235007","8.2633","0.0005","7.4357","0.0004","19.1577","0.0012","90","","99.821","0.002","90","","1159.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cu0.5 N2 O4 -","- C12 H13 Cu0.5 N2 O4 -","- C48 H52 Cu2 N8 O16 -","4","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.0794","0.0484","","","0.1114","0.1277","","","","","","1.074","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235008","9.069","0.006","12.511","0.01","12.708","0.009","116.23","0.06","91.24","0.06","97.94","0.06","1275.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cl2 Cu2 N8 O14 -","- C48 H54 Cl2 Cu2 N8 O14 -","- C48 H54 Cl2 Cu2 N8 O14 -","1","0.5","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.2057","0.0799","","","0.1897","0.2632","","","","","","1.024","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235009","8.998","0.003","19.758","0.005","12.654","0.004","90","","98.021","0.009","90","","2227.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl2 Cu2 N8 O8 -","- C24 H21 Cl Cu N4 O4 -","- C96 H84 Cl4 Cu4 N16 O16 -","4","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.166","0.0685","","","0.1543","0.2084","","","","","","1.02","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235048","7.708","0.0001","12.549","0.0002","13.1278","0.0002","90","","90","","90","","1269.82","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Zhao, Zhen-Zhu; Liang, Xu-Bo; Feng, Wei-Sheng; Wu, Ya; Zhi, Yan-Le; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Unusual constituents from the medicinal mushroom Ganoderma lingzhi","RSC Advances","2019","9","63","36931","","10.1039/C9RA08566A","","","1.54178","CuKα","","0.0513","0.0513","","","0.1314","0.1315","","","","","","1.061","","","","has coordinates","227757","2020-10-21","18:00:00",""
"7235049","6.4948","0.0002","7.4524","0.0003","15.2812","0.0006","90","","101.004","0.001","90","","726.04","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Zhao, Zhen-Zhu; Liang, Xu-Bo; Feng, Wei-Sheng; Wu, Ya; Zhi, Yan-Le; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Unusual constituents from the medicinal mushroom Ganoderma lingzhi","RSC Advances","2019","9","63","36931","","10.1039/C9RA08566A","","","1.54178","CuKα","","0.0327","0.0327","","","0.0844","0.0845","","","","","","1.056","","","","has coordinates","227757","2020-10-21","18:00:00",""
"7235109","18.3138","0.0002","18.3138","0.0002","69.7479","0.0013","90","","90","","120","","20259","0.5","150","2","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14.31 H7.91 Cu N2 O9 -","- C14.31 H7.9 Cu N2 O9 -","- C515.16 H284.4 Cu36 N72 O324 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.0812","0.0787","","","0.2366","0.2405","","","","","","1.108","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235110","17.993","0.003","17.993","0.003","69.267","0.014","90","","90","","120","","19421","6","435","2","435.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1962","0.1294","","","0.3374","0.3791","","","","","","1.161","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235111","18.4309","0.0018","18.4309","0.0018","70.011","0.016","90","","90","","120","","20596","5","298","2","298.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O6 -","- C14 H8 Cu N2 O6 -","- C504 H288 Cu36 N72 O216 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1428","0.1133","","","0.3015","0.3499","","","","","","1.213","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235112","17.9678","0.0016","17.9678","0.0016","69.263","0.01","90","","90","","120","","19365","4","298","2","298.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1619","0.1193","","","0.3263","0.365","","","","","","1.134","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235216","19.0174","0.0012","7.6764","0.0005","32.951","0.002","90","","90","","90","","4810.4","0.5","120.5","0.8","120.5","0.8","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H17 Eu N2 O7 -","- C25 H17 Eu N2 O7 -","- C200 H136 Eu8 N16 O56 -","8","1","","Xu, Ping; Yang, Han-Wen; Shi, Jia-Li; Ding, Bo; Zhao, Xiao-Jun; Yang, En-Cui","Efficient detection of a biomarker for infant jaundice by a europium(iii)-organic framework luminescence sensor","RSC Advances","2019","9","64","37584","","10.1039/C9RA08604H","","","1.54184","CuKα","","0.0751","0.0562","","","0.137","0.1504","","","","","","1.007","","","","has coordinates","231074","2020-10-21","18:00:00",""
"7235217","13.2045","0.0002","9.7903","0.0002","14.8676","0.0002","90","","93.816","0.002","90","","1917.76","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N5 O2 -","- C18 H22 Cl N5 O2 -","- C72 H88 Cl4 N20 O8 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0545","0.0529","","","0.1445","0.1457","","","","","","1.072","","","","has coordinates","231075","2020-10-21","18:00:00",""
"7235218","12.7568","0.0004","9.7768","0.0003","15.1645","0.0004","90","","109.622","0.003","90","","1781.49","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Br N5 O -","- C17 H20 Br N5 O -","- C68 H80 Br4 N20 O4 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0399","0.0367","","","0.0929","0.0959","","","","","","1.025","","","","has coordinates","231075","2020-10-21","18:00:00",""
"7235219","12.6684","0.0002","9.8123","0.0001","15.078","0.0002","90","","109.802","0.001","90","","1763.46","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N5 O -","- C17 H20 Cl N5 O -","- C68 H80 Cl4 N20 O4 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0311","0.0293","","","0.0719","0.0731","","","","","","1.067","","","","has coordinates","231075","2020-10-21","18:00:00",""
"7235237","11.9604","0.0012","12.4903","0.0014","19.9494","0.0023","90","","144.456","0.0031","90","","1732.5","0.4","225","","225","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 B2 D24 Mg O3 -","- C12 H8 B2 D24 Mg O3 -","- C48 H32 B8 D96 Mg4 O12 -","4","0.5","","Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.","Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.","Physical chemistry chemical physics : PCCP","2019","22","1","368","378","10.1039/c9cp03311d","powder diffraction","neutron","1.5397","","","","","","","","","0.08542","","1.22","","","","","","","has coordinates","247834","2020-10-21","18:00:00",""
"7235238","12.1152","0.002","12.6233","0.0018","20.199","0.004","90","","144.992","0.004","90","","1772.2","0.6","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 B2 D24 Mg O3 -","- C12 H8 B2 D24 Mg O3 -","- C48 H32 B8 D96 Mg4 O12 -","4","0.5","","Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.","Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.","Physical chemistry chemical physics : PCCP","2019","22","1","368","378","10.1039/c9cp03311d","powder diffraction","neutron","1.5397","","","","","","","","","0.26762","","1.21","","","","","","","has coordinates","247834","2020-10-21","18:00:00",""
"7235239","10.6314","0.0002","24.1537","0.0004","10.5798","0.0002","90","","103.663","0.001","90","","2639.88","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N3 O3 -","- C30 H33 N3 O3 -","- C120 H132 N12 O12 -","4","1","","Gazzotti, Stefano; Manenti, Marco; Lo Presti, Leonardo; Silvani, Alessandra","Allylation of isatin-derived N-Boc-hydrazones followed by Pd-catalyzed carboamination reaction: an entry to 3-spiro-pyrazolidyl-oxindoles","RSC Advances","2019","9","65","37788","","10.1039/C9RA07712J","","","0.71073","MoKα","","0.0838","0.0591","","","0.1819","0.2029","","","","","","1.073","","","","has coordinates","231116","2020-10-21","18:00:00",""
"7235240","15.8858","0.0004","17.4589","0.0004","27.1441","0.0007","96.7381","0.0006","103.103","0.0005","107.782","0.0006","6839.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H112 Mn12 N4 O39 -","- C115 H112 Mn12 N4 O39 -","- C230 H224 Mn24 N8 O78 -","2","1","","Yang, En-Che; Huang, Shi-Yi; Wernsdorfer, Wolfgang; Hong, Ling-Xuan; Damjanovic, Marko; Niekamp, Lukas; Lee, Gene-Hsiang","A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol","RSC Advances","2019","9","65","37740","","10.1039/C9RA06280G","","","0.71073","MoKα","","0.0675","0.0474","","","0.1312","0.1458","","","","","","1.028","","","","has coordinates,has disorder","231117","2020-10-21","18:00:00",""
"7235241","13.2358","0.0003","15.2794","0.0002","7.8074","0.0002","90","","106.18","0.002","90","","1516.39","0.06","132","2","132","2","","","","","","","","4","C 1 c 1","C -2yc","9","","theobromine-2,3-dihydroxybenzoic acid monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0261","0.026","","","0.0728","0.073","","","","","","1.064","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235242","26.7527","0.0005","14.212","0.0002","7.2608","0.0002","90","","90","","90","","2760.62","0.1","130.9","0.8","130.9","0.8","","","","","","","","4","P b c n","-P 2n 2ab","60","","theobromine-3,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0594","0.0533","","","0.1441","0.1478","","","","","","1.094","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235243","14.4617","0.0003","12.7978","0.0003","15.7666","0.0003","90","","92.3554","0.0017","90","","2915.58","0.11","130.8","0.6","130.8","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine-3,5-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0529","0.047","","","0.1302","0.1354","","","","","","1.075","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235244","15.2976","0.0003","6.845","0.0001","15.93","0.0003","90","","115.911","0.003","90","","1500.38","0.06","131.8","0.3","131.8","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","theobromine 2,6-dihydroxybenzoic acid monohydrate","theobrominium 2,6-dihydroxybenzoate monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.1018","0.1051","","","","","","1.075","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235245","6.8492","0.0003","7.9605","0.0004","14.0276","0.0008","79.391","0.004","78.55","0.004","77.232","0.004","723.16","0.07","130.3","0.4","130.3","0.4","","","","","","","","4","P -1","-P 1","2","","theobromine-2,5-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0556","0.0519","","","0.1499","0.1553","","","","","","1.047","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235246","7.9392","0.0003","6.3569","0.0002","28.7601","0.0007","90","","96.093","0.003","90","","1443.29","0.08","132","1","132","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theobromine-2,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0542","0.0464","","","0.1363","0.1414","","","","","","1.095","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235250","15.5634","0.0003","12.4382","0.0002","12.8282","0.0003","90","","90","","90","","2483.29","0.09","100","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2E,2'E)-N,N'-(cyclohexane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate","","- C20 H26 F6 N4 O6 S2 -","- C20 H26 F6 N4 O6 S2 -","- C80 H104 F24 N16 O24 S8 -","4","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","1.54178","CuKα","","0.0627","0.0524","","","0.1235","0.1299","","","","","","1.066","","","","has coordinates,has disorder","231192","2020-10-21","18:00:00",""
"7235251","25.3399","0.0009","25.3399","0.0009","8.0684","0.0002","90","","90","","120","","4486.7","0.3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2'-(Ethane-1,2-diylbis(azanediyl))bis(1-ethylpyridin-1-ium) chloride","","- C16 H24 I2 N4 -","- C16 H24 I2 N4 -","- C144 H216 I18 N36 -","9","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0497","0.0373","","","0.0913","0.0992","","","","","","1.037","","","","has coordinates,has disorder","231192","2020-10-21","18:00:00",""
"7235252","6.7528","0.0005","20.0716","0.0017","8.2927","0.0009","90","","104.01","0.003","90","","1090.55","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-N,N'-(ethane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate","","- C16 H20 F6 N4 O6 S2 -","- C16 H20 F6 N4 O6 S2 -","- C32 H40 F12 N8 O12 S4 -","2","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0581","0.0446","","","0.1162","0.1259","","","","","","1.05","","","","has coordinates","231192","2020-10-21","18:00:00",""
"7235253","16.0537","0.0015","7.2941","0.0006","8.9376","0.0009","90","","90","","90","","1046.57","0.17","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-Ethyl-2-iodopyridin-1-ium iodide","","- C7 H9 I2 N -","- C7 H9 I2 N -","- C28 H36 I8 N4 -","4","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0455","","","","","","1.086","","","","has coordinates","231192","2020-10-21","18:00:00",""
"7235254","6.6961","0.0005","9.9947","0.001","16.1264","0.0014","90","","99.272","0.008","90","","1065.17","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-methylpyridin-1-ium trifluoromethanesulfonate","","- C7 H7 Cl F3 N O3 S -","- C7 H7 Cl F3 N O3 S -","- C28 H28 Cl4 F12 N4 O12 S4 -","4","1","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0536","0.0405","","","0.0966","0.1076","","","","","","1.027","","","","has coordinates","231192","2020-10-21","18:00:00",""
"7235255","8.0481","0.0009","9.7876","0.0009","10.8529","0.0013","90","","111.525","0.013","90","","795.28","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenyl-2H-azirine-2-carboxylic acid","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Sakharov, Pavel A.; Koronatov, Alexander N.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Glukharev, Artem G.; Rogacheva, Elizaveta V.; Kraeva, Liudmila A.; Sharoyko, Vladimir V.; Tennikova, Tatiana B.; Rostovskii, Nikolai V.","Non-natural 2H-azirine-2-carboxylic acids: an expedient synthesis and antimicrobial activity","RSC Advances","2019","9","65","37901","","10.1039/C9RA09345A","","","0.71073","MoKα","","0.0512","0.0409","","","0.0932","0.1014","","","","","","1.042","","","","has coordinates","231193","2020-10-21","18:00:00",""
"7237202","14.7957","0.0005","15.5641","0.0005","18.4453","0.0006","90","","90","","90","","4247.6","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZIF-4-Co","","- C7.5 H9.5 Co N4.5 O0.5 -","- C7.5 H9.5 Co N4.5 O0.5 -","- C120 H152 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0532","0.0415","","","0.1105","0.122","","","","","","1.044","","","","has coordinates","237482","2020-10-21","18:00:00",""
"7237203","15.4567","0.0008","15.5793","0.0008","18.134","0.0008","90","","90","","90","","4366.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ZIF-62-Zn-bim0.35","","- C7 H6.5 N4 Zn -","- C7 H6.5 N4 Zn -","- C112 H104 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0772","0.0512","","","0.1267","0.1411","","","","","","1.02","","","","has coordinates,has disorder","237482","2020-10-21","18:00:00",""
"7237204","15.4329","0.0012","15.6983","0.0009","18.131","0.0012","90","","90","","90","","4392.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ZIF-62-Co-bim0.30","","- C7 H6.5 Co N4 -","- C7 H6.5 Co N4 -","- C112 H104 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0925","0.0551","","","0.1317","0.1615","","","","","","1.027","","","","has coordinates,has disorder","237482","2020-10-21","18:00:00",""
"7237205","15.6595","0.0005","14.6464","0.0004","18.389","0.0007","90","","90","","90","","4217.6","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZIF-4-Zn","","- C7.5 H9.5 N4.5 O0.5 Zn -","- C7.5 H9.5 N4.5 O0.5 Zn -","- C120 H152 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0369","0.0282","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates","237482","2020-10-21","18:00:00",""
"7237226","7.7684","0.0006","12.9163","0.001","9.8493","0.0007","90","","100.421","0.003","90","","971.97","0.13","110","2","110","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H9.5 La0.5 N9 O4 -","- C2 H9.5 La0.5 N9 O4 -","- C8 H38 La2 N36 O16 -","4","1","","Dahan, Moran; Komarala, Eswaravara; Fadeev, Ludmila; Chinnam, Ajay K.; Shlomovich, Avital; Lipstman, Sophia; Padi, Siva P.; Haustein, Herman; Gozin, Michael; Rosen, Brian A.","Methane dry reforming catalyst prepared by the co-deflagration of high-nitrogen energetic complexes","Journal of Materials Chemistry A","2019","7","1","141","","10.1039/C8TA08343F","","","0.71073","MoKα","","0.0199","0.0189","","","0.0448","0.0456","","","","","","1.062","","","","has coordinates","237501","2020-10-21","18:00:00",""
"7237228","19.4081","0.0015","19.4081","0.0015","24.197","0.002","90","","90","","120","","7893.3","1.1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C102 H60 Co6 N18 O25 -","- C102 H60 Co6 N18 O25 -","- C204 H120 Co12 N36 O50 -","2","0.166667","","Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials","Journal of Materials Chemistry A","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.1003","0.0594","","","0.0836","0.0901","","","","","","0.968","","","","has coordinates","237504","2020-10-21","18:00:00",""
"7237229","19.2359","0.0013","19.2359","0.0013","24.063","0.002","90","","90","","120","","7710.9","1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C102 H60 N18 Ni6 O25 -","- C102 H60 N18 Ni6 O25 -","- C204 H120 N36 Ni12 O50 -","2","0.166667","","Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials","Journal of Materials Chemistry A","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.1218","0.0714","","","0.1662","0.1893","","","","","","0.9","","","","has coordinates","237504","2020-10-21","18:00:00",""
"7237230","19.2411","0.0006","19.2411","0.0006","23.8936","0.0011","90","","90","","120","","7660.8","0.5","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C96 H54 Co6 N24 O25 -","- C96 H54 Co6 N24 O25 -","- C192 H108 Co12 N48 O50 -","2","0.166667","","Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials","Journal of Materials Chemistry A","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.0915","0.0759","","","0.1939","0.2043","","","","","","0.972","","","","has coordinates","237504","2020-10-21","18:00:00",""
"7237234","10.8976","0.0003","11.2977","0.0003","23.3163","0.0007","90","","98.257","0.003","90","","2840.89","0.14","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Bi3 I10 N -","- C6 H8 Bi3 I10 N -","- C24 H32 Bi12 I40 N4 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0559","0.0513","","","0.1248","0.1274","","","","","","1.069","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237235","7.6749","0.0003","10.0389","0.0004","11.4778","0.0005","71.809","0.004","84.837","0.003","83.29","0.003","833.04","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Bi I4 N -","- C10 H10 Bi I4 N -","- C20 H20 Bi2 I8 N2 -","2","1","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.048","0.0417","","","0.0855","0.0893","","","","","","1.026","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237236","7.653","0.0002","27.2277","0.0006","14.2784","0.0004","90","","95.354","0.002","90","","2962.26","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Bi3 I10 N -","- C7 H10 Bi3 I10 N -","- C28 H40 Bi12 I40 N4 -","4","1","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0428","0.0299","","","0.0519","0.0543","","","","","","1.044","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237237","16.4361","0.0004","22.9617","0.0009","11.2234","0.0003","90","","90","","90","","4235.7","0.2","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 Bi2 I9 N4 -","- C23 H30 Bi2 I9 N4 -","- C92 H120 Bi8 I36 N16 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.053","0.0376","","","0.0833","0.0902","","","","","","1.057","","","","has coordinates,has disorder","237508","2020-10-21","18:00:00",""
"7237238","7.6699","0.0003","16.336","0.0007","13.1719","0.0006","90","","91.06","0.004","90","","1650.1","0.12","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 Bi I4 N -","- C10 Bi I4 N -","- C40 Bi4 I16 N4 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0333","0.0318","","","0.0753","0.076","","","","","","1.056","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237239","15.5976","0.0008","23.0812","0.0013","11.0806","0.0005","90","","90","","90","","3989.1","0.4","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H24 Bi2 I9 N3 -","- C18 H24 Bi2 I9 N3 -","- C72 H96 Bi8 I36 N12 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0347","0.0291","","","0.0628","0.0643","","","","","","1.143","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237240","9.7489","0.0005","10.0757","0.0005","10.6156","0.0005","71.619","0.004","65.447","0.005","86.347","0.004","897.32","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 N4 Na O16 Zn2 -","- C28 H20 N4 Na O16 Zn2 -","- C28 H20 N4 Na O16 Zn2 -","1","0.5","","Rajak, Richa; Saraf, Mohit; Mobin, Shaikh M.","Robust heterostructures of a bimetallic sodium‒zinc metal‒organic framework and reduced graphene oxide for high-performance supercapacitors","Journal of Materials Chemistry A","2019","7","4","1725","","10.1039/C8TA09528K","","","1.54184","CuKα","","0.0757","0.073","","","0.2023","0.2088","","","","","","1.041","","","","has coordinates","237511","2020-10-21","18:00:00",""
"7237241","10.399","0.0003","10.4057","0.0003","12.8116","0.0004","113.668","0.003","97.457","0.002","105.922","0.003","1174.84","0.08","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H40 Cl6 Fe2 N4 O16 S4 -","- C30 H40 Cl6 Fe2 N4 O16 S4 -","- C30 H40 Cl6 Fe2 N4 O16 S4 -","1","0.5","","Silva, Ingrid F.; Teixeira, Ivo F.; Barros, Wdeson P.; Pinheiro, Carlos B.; Ardisson, José D.; do Nascimento, Gustavo M.; Pradie, Noriberto A.; Teixeira, Ana Paula C.; Stumpf, Humberto O.","An FeIII dinuclear metallacycle complex as a size-selective adsorbent for nitrogenous compounds and a potentially effective ammonia storage material","Journal of Materials Chemistry A","2019","7","25","15225","","10.1039/C8TA09786K","","","0.71073","MoKα","","0.0362","0.0325","","","0.0837","0.0866","","","","","","1.0417","","","","has coordinates","237513","2020-10-21","18:00:00",""
"7237242","22.2297","0.0002","22.2297","0.0002","22.2297","0.0002","90","","90","","90","","10985","0.17","298","","298","","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","Mn-CCs","","- C36 H21 Mn9 O29 P4 -","- C36 H22 Mn9 O30 P4 -","- C216 H132 Mn54 O180 P24 -","6","0.125","","Liu, Xiao-Fei; Guo, Xiao-Qing; Wang, Rui; Liu, Qing-Chao; Li, Zhong-Jun; Zang, Shuang-Quan; Mak, Thomas C. W.","Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium‒sulfur batteries","Journal of Materials Chemistry A","2019","7","6","2838","","10.1039/C8TA09973A","","x-ray","1.54184","CuKα","","0.135","0.1159","","","0.3626","0.3822","","","","","","1.076","","","","has coordinates","237515","2020-10-21","18:00:00",""
"7237243","22.5987","0.0002","22.5987","0.0002","22.5987","0.0002","90","","90","","90","","11541.2","0.18","99.97","0.13","99.97","0.13","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C36 H50 Mn9 O44 P4 -","- C36 H50 Mn9 O44 P4 -","- C216 H300 Mn54 O264 P24 -","6","0.125","","Liu, Xiao-Fei; Guo, Xiao-Qing; Wang, Rui; Liu, Qing-Chao; Li, Zhong-Jun; Zang, Shuang-Quan; Mak, Thomas C. W.","Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium‒sulfur batteries","Journal of Materials Chemistry A","2019","7","6","2838","","10.1039/C8TA09973A","","x-ray","1.54184","CuKα","","0.0614","0.0595","","","0.1722","0.1752","","","","","","1.055","","","","has coordinates,has disorder","237515","2020-10-21","18:00:00",""
"7237244","14.1081","0.0004","21.3826","0.0006","8.9782","0.0003","90","","90","","90","","2708.43","0.14","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H64 Al2 Mg O11 -","- C60 H64 Al2 Mg O11 -","- C120 H128 Al4 Mg2 O22 -","2","0.5","","Keyzer, Evan N.; Lee, Jeongjae; Liu, Zigeng; Bond, Andrew D.; Wright, Dominic S.; Grey, Clare P.","A general synthetic methodology to access magnesium aluminate electrolyte systems for Mg batteries","Journal of Materials Chemistry A","2019","7","6","2677","","10.1039/C8TA10295C","","","1.54178","CuKα","","0.0711","0.0487","","","0.0987","0.1093","","","","","","1.045","","","","has coordinates,has disorder","237517","2020-10-21","18:00:00",""
"7237245","9.9953","0.0003","16.5017","0.0005","25.7252","0.0008","90","","92.9649","0.0011","90","","4237.4","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Al2 Mg O8 -","- C32 H72 Al2 Mg O8 -","- C128 H288 Al8 Mg4 O32 -","4","1","","Keyzer, Evan N.; Lee, Jeongjae; Liu, Zigeng; Bond, Andrew D.; Wright, Dominic S.; Grey, Clare P.","A general synthetic methodology to access magnesium aluminate electrolyte systems for Mg batteries","Journal of Materials Chemistry A","2019","7","6","2677","","10.1039/C8TA10295C","","","1.54178","CuKα","","0.0757","0.0693","","","0.1877","0.1942","","","","","","1.035","","","","has coordinates","237517","2020-10-21","18:00:00",""
"7237246","6.68115","0.00016","21.2861","0.0004","15.903","0.0003","90","","90","","90","","2261.66","0.08","93","","93","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C32 H18 Ga2 N2 O10 -","- C32 H18 Ga2 N2 O10 -","- C64 H36 Ga4 N4 O20 -","2","0.125","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","0.71073","MoKα","","0.0363","0.0316","","","0.0932","0.0958","","","","","","1.12","","","","has coordinates,has disorder","237520","2020-10-21","18:00:00",""
"7237247","15.504","0.007","9.443","0.004","15.975","0.007","90","","99.277","0.014","90","","2308.2","1.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H20 N2 O11 Sc2 -","- C32 H16 N2 O11 Sc2 -","- C64 H32 N4 O22 Sc4 -","2","0.5","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","1.54187","CuKα","","0.1725","0.1409","","","0.4052","0.4218","","","","","","1.56","","","","has coordinates","237520","2020-10-21","18:00:00",""
"7237248","32.741","0.004","7.797","0.003","8.763","0.003","90","","90","","90","","2237","1.2","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C34 H18 N2 O14 Sc2 -","- C34 H18 N2 O14 Sc2 -","- C68 H36 N4 O28 Sc4 -","2","0.25","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","1.54184","CuKα","","0.2885","0.1479","","","0.3396","0.4332","","","","","","0.968","","","","has coordinates","237520","2020-10-21","18:00:00",""
"7237249","12.625","0.004","9.35","0.003","26.835","0.007","90","","107.011","0.012","90","","3029.1","1.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H18 Co N4 O6 -","- C26 H18 Co N4 O6 -","- C104 H72 Co4 N16 O24 -","4","1","","Parmar, Bhavesh; Patel, Parth; Pillai, Renjith S.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Suresh, Eringathodi","Efficient catalytic conversion of terminal/internal epoxides to cyclic carbonates by porous Co(ii) MOF under ambient conditions: structure‒property correlation and computational studies","Journal of Materials Chemistry A","2019","7","6","2884","","10.1039/C8TA10631B","","","0.71073","MoKα","","0.0903","0.0716","","","0.163","0.1699","","","","","","1.096","","","","has coordinates","237522","2020-10-21","18:00:00",""
"7237250","5.4485","0.0003","12.4239","0.0009","16.6464","0.0011","90","","90","","90","","1126.82","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-PheC1Cl","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C40 H56 Cl4 N4 O8 -","4","1","","Zhang, Lei; Yuan, Wen-Li; Zhang, Zhang; Zhang, Guo-Hao; Chen, Hao; Zhao, Nanrong; He, Ling; Tao, Guo-Hong","Self-assembled ionic nanofibers derived from amino acids for high-performance particulate matter removal","Journal of Materials Chemistry A","2019","7","9","4619","","10.1039/C8TA11382C","","x-ray","0.71073","MoKα","","0.0542","0.04","","","0.0677","0.0748","","","","","","1.04","","","","has coordinates","237525","2020-10-21","18:00:00",""
"7237251","5.4456","0.0004","12.4023","0.0013","16.6206","0.0014","90","","90","","90","","1122.52","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","D-PheC1Cl","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C40 H56 Cl4 N4 O8 -","4","1","","Zhang, Lei; Yuan, Wen-Li; Zhang, Zhang; Zhang, Guo-Hao; Chen, Hao; Zhao, Nanrong; He, Ling; Tao, Guo-Hong","Self-assembled ionic nanofibers derived from amino acids for high-performance particulate matter removal","Journal of Materials Chemistry A","2019","7","9","4619","","10.1039/C8TA11382C","","x-ray","0.71073","MoKα","","0.0944","0.0776","","","0.1819","0.2067","","","","","","1.071","","","","has coordinates","237525","2020-10-21","18:00:00",""
"7237252","25.681","0.005","17.209","0.003","18.359","0.004","90","","99.51","0.03","90","","8002","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 N9 Ni3 O19 P3 -","- C72 H50 N9 Ni3 O19 P3 -","- C288 H200 N36 Ni12 O76 P12 -","4","1","","Yu, Fan; Xiong, Xin; Zhou, Liu-Yin; Li, Jia-Luo; Liang, Ji-Yuan; Hu, Si-QIan; Lu, Wang-Ting; Li, Bao; Zhou, Hong-Cai","Hierarchical nickel/phosphorus/nitrogen/carbon composites templated by one metal‒organic framework as highly efficient supercapacitor electrode materials","Journal of Materials Chemistry A","2019","7","6","2875","","10.1039/C8TA11568K","","","0.71073","MoKα","","0.0802","0.0717","","","0.2005","0.2105","","","","","","1.01","","","","has coordinates","237527","2020-10-21","18:00:00",""
"7237253","15.1068","0.0013","15.1068","","7.998","0.0008","90","","90","","90","","1825.3","0.2","300","","300","","","","","","","","","7","I 4/m m m","-I 4 2","139","","UTSA-120","","- C26.6 H16 Cu F6 N12 O5.2 Si -","- C26.608 H16 Cu F6 N12 O5.216 Si -","- C53.216 H32 Cu2 F12 N24 O10.432 Si2 -","2","0.0625","","Wen, Hui-Min; Liao, Caijun; Li, Libo; Alsalme, Ali; Alothman, Zeid; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Hu, Jun; Chen, Banglin","A metal‒organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO2 capture","Journal of Materials Chemistry A","2019","7","7","3128","","10.1039/C8TA11596F","powder diffraction","neutron","2.0775","","","","","","","","","0.18664","","1.04","","","","","","","has coordinates","237529","2020-10-21","18:00:00",""
"7237254","15.123","0.0011","15.123","","7.8349","0.0005","90","","90","","90","","1791.88","0.17","296","","296","","","","","","","","","6","I 4/m m m","-I 4 2","139","","UTSA-120","","- C24 H16 Cu F6 N12 Si -","- C24 H16 Cu F6 N12 Si -","- C48 H32 Cu2 F12 N24 Si2 -","2","0.0625","","Wen, Hui-Min; Liao, Caijun; Li, Libo; Alsalme, Ali; Alothman, Zeid; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Hu, Jun; Chen, Banglin","A metal‒organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO2 capture","Journal of Materials Chemistry A","2019","7","7","3128","","10.1039/C8TA11596F","powder diffraction","neutron","2.0775","","","","","","","","","0.09273","","1.5","","","","","","","has coordinates","237529","2020-10-21","18:00:00",""
"7237255","12.931","0.0011","13.4843","0.001","15.6502","0.0011","90","","101.31","0.008","90","","2675.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Co N20 -","- C48 H28 Co N20 -","- C96 H56 Co2 N40 -","2","0.5","","Wang, Zheng; Zhu, Cheng-Yi; Zhao, Heng-Shun; Yin, Shao-Yun; Wang, Su-Juan; Zhang, Jian-Hua; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","Record high cationic dye separation performance for water sanitation using a neutral coordination framework","Journal of Materials Chemistry A","2019","7","9","4751","","10.1039/C8TA12092G","","","1.54184","CuKα","","0.1358","0.0935","","","0.1947","0.2079","","","","","","1.024","","","","has coordinates","237531","2020-10-21","18:00:00",""
"7237256","9.1585","0.0007","15.3205","0.0006","15.4803","0.0004","64.375","0.003","83.258","0.005","74.434","0.005","1886.61","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Co N3 O8 S -","- C33 H29 Co N3 O8 S -","- C66 H58 Co2 N6 O16 S2 -","2","1","","Zhao, Jin-Yan; Wang, Rui; Wang, Shan; Lv, Ya-Ru; Xu, Hong; Zang, Shuang-Quan","Metal‒organic framework-derived Co9S8 embedded in N, O and S-tridoped carbon nanomaterials as an efficient oxygen bifunctional electrocatalyst","Journal of Materials Chemistry A","2019","7","13","7389","","10.1039/C8TA12116H","","x-ray","1.54184","CuKα","","0.0996","0.0785","","","0.2236","0.2425","","","","","","1.026","","","","has coordinates","237532","2020-10-21","18:00:00",""
"7237257","19.9107","0.0003","10.2319","0.0002","20.5996","0.0003","90","","91.184","0.001","90","","4195.74","0.12","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C60-PyP","","","- C78 H14 Cl N3 -","- C78 H14 Cl N3 -","- C312 H56 Cl4 N12 -","4","1","","Zhen, Jieming; Zhou, Weiran; Chen, Muqing; Li, Bairu; Jia, Lingbo; Wang, Mingtai; Yang, Shangfeng","Pyridine-functionalized fullerene additive enabling coordination interactions with CH3NH3PbI3 perovskite towards highly efficient bulk heterojunction solar cells","Journal of Materials Chemistry A","2019","7","6","2754","","10.1039/C8TA12206G","","x-ray","1.54184","CuKα","","0.068","0.0511","","","0.1249","0.1378","","","","","","1.05","","","","has coordinates,has disorder","237534","2020-10-21","18:00:00",""
"7237258","12.9865","0.0007","12.9865","0.0007","6.7777","0.0009","90","","90","","90","","1143.05","0.18","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C4 Ag5 Cl N20 O12 -","- C4 Ag5 Cl N20 O12 -","- C8 Ag10 Cl2 N40 O24 -","2","0.25","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0687","0.0335","","","0.0471","0.0536","","","","","","1.037","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237259","12.7239","0.0014","13.7587","0.0016","14.5684","0.0013","90","","90","","90","","2550.4","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H12 Ag7 N19 O9 -","- C8 H12 Ag7 N19 O9 -","- C32 H48 Ag28 N76 O36 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0924","0.0489","","","0.0694","0.0804","","","","","","1.033","","","","has coordinates","237535","2020-10-21","18:00:00",""
"7237260","10.9448","0.001","8.0109","0.0009","10.9401","0.0009","90","","98.04","0.003","90","","949.77","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 Ag3 N9 O3 -","- C2 H2 Ag3 N9 O3 -","- C8 H8 Ag12 N36 O12 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0393","0.0275","","","0.0616","0.065","","","","","","1.089","","","","has coordinates","237535","2020-10-21","18:00:00",""
"7237261","12.5704","0.0007","6.5629","0.0004","13.3028","0.0007","90","","90.303","0.002","90","","1097.44","0.11","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 Ag5 N21 O11 -","- C4 Ag5 N21 O11 -","- C8 Ag10 N42 O22 -","2","1","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0435","0.0333","","","0.0616","0.0645","","","","","","1.056","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237262","7.0494","0.0004","9.2238","0.0005","9.4011","0.0005","93.3","0.002","97.259","0.002","105.496","0.002","581.67","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C4 H8 Ag7 N23 O9 -","- C4 H8 Ag7 N23 O9 -","- C4 H8 Ag7 N23 O9 -","1","1","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0747","0.0623","","","0.1729","0.1799","","","","","","1.165","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237269","24.696","0.002","8.3538","0.0006","16.7962","0.0014","90","","125.219","0.002","90","","2830.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N4 O12 Zn2 -","- C30 H20 N4 O12 Zn2 -","- C120 H80 N16 O48 Zn8 -","4","0.5","","Zhang, Gaobin; Zhao, Yanfei; Peng, Bo; Li, Zheng; Xu, Chenchen; Liu, Yi; Zhang, Chengwu; Voelcker, Nicolas H.; Li, Lin; Huang, Wei","A fluorogenic probe based on chelation‒hydrolysis-enhancement mechanism for visualizing Zn2+ in Parkinson's disease models","Journal of Materials Chemistry B","2019","7","14","2252","","10.1039/C8TB03343A","","","0.71073","MoKα","","0.0402","0.0312","","","0.0706","0.0747","","","","","","1.017","","","","has coordinates","237541","2020-10-21","18:00:00",""
"7237457","10.946","0.002","22.138","0.004","14.603","0.003","90","","109.77","0.03","90","","3330.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Mo8 N8 O30 -","- C56 H56 Mo8 N8 O30 -","- C112 H112 Mo16 N16 O60 -","2","0.5","","Li, Li; Wang, Jun-Ren; Hua, Yang; Guo, Yu; Fu, Chen; Sun, Ya-Nan; Zhang, Hong","“Reversible” photochromism of polyoxomolybdate‒viologen hybrids without the need for proton transfer","Journal of Materials Chemistry C","2019","7","1","38","","10.1039/C8TC03172J","","","0.71073","MoKα","","0.0562","0.0371","","","0.0636","0.0692","","","","","","1.13","","","","has coordinates","237679","2020-10-21","18:00:00",""
"7237458","10.6571","0.0006","11.0273","0.0006","13.8362","0.0007","73.772","0.002","75.933","0.002","64.238","0.002","1392.09","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Mo8 N8 O28 -","- C44 H44 Mo8 N8 O28 -","- C44 H44 Mo8 N8 O28 -","1","0.5","","Li, Li; Wang, Jun-Ren; Hua, Yang; Guo, Yu; Fu, Chen; Sun, Ya-Nan; Zhang, Hong","“Reversible” photochromism of polyoxomolybdate‒viologen hybrids without the need for proton transfer","Journal of Materials Chemistry C","2019","7","1","38","","10.1039/C8TC03172J","","","0.71073","MoKα","","0.0347","0.0243","","","0.0526","0.0567","","","","","","1.048","","","","has coordinates","237679","2020-10-21","18:00:00",""
"7237471","22.0069","0.0018","13.8971","0.0008","16.1662","0.0012","90","","97.63","0.007","90","","4900.4","0.6","273","0.1","110","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41.25 Co5 N22 O22.75 -","- C24 H35.3 Co5 N22 O22.65 -","- C96 H141.2 Co20 N88 O90.6 -","4","0.5","","Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","A dynamic microporous magnet exhibiting room-temperature thermal hysteresis, variable magnetic ordering temperatures and highly selective adsorption for CO2","Journal of Materials Chemistry C","2019","7","2","218","","10.1039/C8TC03356K","","x-ray","0.71073","MoKα","","0.0916","0.0662","","","0.1322","0.1403","","","","","","1.169","","","","has coordinates,has disorder","237689","2020-10-21","18:00:00",""
"7237472","22.034","0.0005","13.5207","0.0003","16.9997","0.0004","90","","97.99","0.002","90","","5015.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Co2.5 N11 O6.5 -","- C12 H11 Co2.5 N11 O6.5 -","- C96 H88 Co20 N88 O52 -","8","1","","Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","A dynamic microporous magnet exhibiting room-temperature thermal hysteresis, variable magnetic ordering temperatures and highly selective adsorption for CO2","Journal of Materials Chemistry C","2019","7","2","218","","10.1039/C8TC03356K","","x-ray","1.54184","CuKα","","0.0808","0.0575","","","0.1463","0.1561","","","","","","1.032","","","","has coordinates","237689","2020-10-21","18:00:00",""
"7237473","22.241","0.003","13.4188","0.0013","17.268","0.002","90","","99.282","0.011","90","","5086.1","1","383","0.1","383","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co5 N22 O12 -","- C24 H20 Co5 N22 O12 -","- C96 H80 Co20 N88 O48 -","4","0.5","","Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","A dynamic microporous magnet exhibiting room-temperature thermal hysteresis, variable magnetic ordering temperatures and highly selective adsorption for CO2","Journal of Materials Chemistry C","2019","7","2","218","","10.1039/C8TC03356K","","x-ray","0.71073","MoKα","","0.1108","0.0619","","","0.1231","0.1493","","","","","","0.971","","","","has coordinates","237689","2020-10-21","18:00:00",""
"7237521","34.8","0.03","7.324","0.006","12.467","0.011","90","","96.174","0.014","90","","3159","5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","2","","Hao, Yunhui; Huang, Shuai; Guo, Yanmei; Zhou, Lina; Hao, Hongxun; Barrett, Christopher J.; Yu, Haifeng","Photoinduced multi-directional deformation of azobenzene molecular crystals","Journal of Materials Chemistry C","2019","7","3","503","","10.1039/C8TC04631J","","","0.71073","MoKα","","0.1426","0.0802","","","0.2096","0.2635","","","","","","1.035","","","","has coordinates,has disorder","237744","2020-10-21","18:00:00",""
"7237529","7.175","0.0006","18.3221","0.0016","33.824","0.003","90","","91.414","0.002","90","","4445.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45.71 Cl1.29 N3 O4.36 -","- C57 H45.716 Cl1.284 N3 O4.358 -","- C228 H182.864 Cl5.136 N12 O17.432 -","4","1","","Huang, Jian; Xu, Zeng; Cai, Zheyi; Guo, Jingjing; Guo, Jiali; Shen, Pingchuan; Wang, Zhiming; Zhao, Zujin; Ma, Dongge; Tang, Ben Zhong","Robust luminescent small molecules with aggregation-induced delayed fluorescence for efficient solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","2","330","","10.1039/C8TC04842H","","","0.71073","MoKα","","0.154","0.0759","","","0.1265","0.1488","","","","","","1.036","","","","has coordinates,has disorder","237752","2020-10-21","18:00:00",""
"7237534","8.72","0.009","3.933","0.004","21.11","0.02","90","","100.603","0.013","90","","711.6","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Br2 Cu N -","- C5 H4 Br2 Cu N -","- C20 H16 Br8 Cu4 N4 -","4","1","","Liu, Wei; Banerjee, Debasis; Lin, Fang; Li, Jing","Strongly luminescent inorganic‒organic hybrid semiconductors with tunable white light emissions by doping","Journal of Materials Chemistry C","2019","7","6","1484","","10.1039/C8TC05020A","","","0.71073","MoKα","","0.0608","0.0479","","","0.1207","0.1269","","","","","","1.067","","","","has coordinates","237755","2020-10-21","18:00:00",""
"7237535","8.7438","0.0019","3.9296","0.0009","21.002","0.005","90","","100.837","0.003","90","","708.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Br Cl Cu N -","- C5 H4 Br Cl Cu N -","- C20 H16 Br4 Cl4 Cu4 N4 -","4","1","","Liu, Wei; Banerjee, Debasis; Lin, Fang; Li, Jing","Strongly luminescent inorganic‒organic hybrid semiconductors with tunable white light emissions by doping","Journal of Materials Chemistry C","2019","7","6","1484","","10.1039/C8TC05020A","","","0.71073","MoKα","","0.0382","0.0306","","","0.0817","0.0852","","","","","","1.04","","","","has coordinates","237755","2020-10-21","18:00:00",""
"7237536","13.91","0.017","15.111","0.018","8.107","0.01","90","","99.455","0.017","90","","1681","4","298","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Br Cu N -","- C7 H9 Br Cu N -","- C56 H72 Br8 Cu8 N8 -","8","1","","Liu, Wei; Banerjee, Debasis; Lin, Fang; Li, Jing","Strongly luminescent inorganic‒organic hybrid semiconductors with tunable white light emissions by doping","Journal of Materials Chemistry C","2019","7","6","1484","","10.1039/C8TC05020A","","","0.71073","MoKα","","0.0614","0.0396","","","0.0973","0.1107","","","","","","0.984","","","","has coordinates","237755","2020-10-21","18:00:00",""
"7237538","10.97","0.005","12.704","0.004","7.754","0.003","90","","101.29","0.03","90","","1059.7","0.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H12 N4 S3 -","- C24 H12 N4 S3 -","- C48 H24 N8 S6 -","2","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1178","0.0431","","","0.0972","0.123","","","","","","0.975","","","","has coordinates,has disorder","237757","2020-10-21","18:00:00",""
"7237539","7.861","0.004","8.89","0.003","10.291","0.008","109.6","0.04","109.29","0.05","98","0.04","613.7","0.7","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H14 N4 S4 -","- C28 H14 N4 S4 -","- C28 H14 N4 S4 -","1","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1761","0.0624","","","0.153","0.1952","","","","","","0.999","","","","has coordinates","237757","2020-10-21","18:00:00",""
"7237540","9.092","0.005","9.151","0.004","10.403","0.006","90.88","0.05","129.5","0.04","104.63","0.04","628","0.8","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H10 F4 N4 S4 -","- C28 H10 F4 N4 S4 -","- C28 H10 F4 N4 S4 -","1","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1817","0.092","","","0.2479","0.3086","","","","","","1.037","","","","has coordinates","237757","2020-10-21","18:00:00",""
"7237541","7.9104","0.0005","8.8995","0.0006","10.3989","0.0007","109.866","0.003","109.641","0.003","97.879","0.004","621.8","0.08","270","","270","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F2 N4 S4 -","- C28 H12 F2 N4 S4 -","- C28 H12 F2 N4 S4 -","1","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","1.54187","CuKα","","0.1284","0.103","","","0.2908","0.3315","","","","","","1.096","","","","has coordinates","237757","2020-10-21","18:00:00",""
"7237542","6.8569","0.0012","16.734","0.002","7.414","0.0016","90","","90","","90","","850.7","0.3","294","2","294","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","16,20-dinitro-(3,4;8,9)-dibenzo-2,7-dioxa-5,10-diaza[4.4.4]propellane","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C36 H32 N8 O12 -","2","0.5","","Miniewicz, Andrzej; Bartkiewicz, Stanislaw; Wojaczynska, Elzbieta; Galica, Tomasz; Zalesny, Robert; Jakubas, Ryszard","Second harmonic generation in nonlinear optical crystals formed from propellane-type molecules","Journal of Materials Chemistry C","2019","7","5","1255","","10.1039/C8TC05268A","","","0.71073","MoKα","","0.183","0.0464","","","0.0655","0.0866","","","","","","0.732","","","","has coordinates","237759","2020-10-21","18:00:00",""
"7237543","15.9149","0.0011","20.675","0.0017","15.4852","0.001","90","","95.735","0.005","90","","5069.8","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 I N2 -","- C27 H33 I N2 -","- C216 H264 I8 N16 -","8","2","","Gesevičius, Donatas; Neels, Antonia; Duchêne, Léo; Hack, Erwin; Heier, Jakob; Nüesch, Frank","Physical vapour deposition of cyanine salts and their first application in organic electronic devices","Journal of Materials Chemistry C","2019","7","2","414","","10.1039/C8TC05286G","","","0.71073","MoKα","","0.0563","0.0409","","","0.0975","0.1107","","","","","","1.054","","","","has coordinates,has disorder","237760","2020-10-21","18:00:00",""
"7237544","10.2584","0.0004","16.0405","0.0005","18.8625","0.0008","90","","90","","90","","3103.8","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F6 N3 O4 S2 -","- C29 H33 F6 N3 O4 S2 -","- C116 H132 F24 N12 O16 S8 -","4","1","","Gesevičius, Donatas; Neels, Antonia; Duchêne, Léo; Hack, Erwin; Heier, Jakob; Nüesch, Frank","Physical vapour deposition of cyanine salts and their first application in organic electronic devices","Journal of Materials Chemistry C","2019","7","2","414","","10.1039/C8TC05286G","","","0.71073","MoKα","","0.0434","0.0387","","","0.1007","0.1072","","","","","","1.062","","","","has coordinates,has disorder","237760","2020-10-21","18:00:00",""
"7237545","7.5411","0.0003","14.0447","0.0005","22.0416","0.0009","90","","90","","90","","2334.48","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-phenyl-3-thienyl)tetrafluorobenzene","","- C28 H18 F4 S2 -","- C28 H18 F4 S2 -","- C112 H72 F16 S8 -","4","1","","Kitagawa, Daichi; Nakahama, Tatsumoto; Nakai, Yoshihiro; Kobatake, Seiya","1,2-Diarylbenzene as fast T-type photochromic switch","Journal of Materials Chemistry C","2019","7","10","2865","","10.1039/C8TC05357J","","","0.71075","MoKα","","0.0406","0.0372","","","0.0875","0.0909","","","","","","1.066","","","","has coordinates","237761","2020-10-21","18:00:00",""
"7237546","8.8292","0.0005","13.3483","0.0008","38.144","0.002","100.3","0.003","90.396","0.003","104.379","0.003","4278.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[Fe12i(C22)(bpea)]n","","","- C74 H118 Fe N4 O8 -","- C74 H118 Fe N4 O8 -","- C148 H236 Fe2 N8 O16 -","2","1","","Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit","Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties","Journal of Materials Chemistry C","2019","7","5","1151","","10.1039/C8TC05580G","","","0.71073","MoKα","","0.1549","0.0757","","","0.1711","0.1952","","","","","","1.003","","","","has coordinates","237763","2020-10-21","18:00:00",""
"7237547","8.1994","0.0006","10.9932","0.0008","35.441","0.002","87.909","0.005","84.165","0.005","68.887","0.005","2964.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL12i(C20)(MeOH)2]","","","- C60 H106 Fe N2 O10 -","- C60 H106 Fe N2 O10 -","- C120 H212 Fe2 N4 O20 -","2","1","","Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit","Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties","Journal of Materials Chemistry C","2019","7","5","1151","","10.1039/C8TC05580G","","","0.71073","MoKα","","0.1714","0.0919","","","0.2127","0.2604","","","","","","0.882","","","","has coordinates","237764","2020-10-21","18:00:00",""
"7237548","8.933","0.0006","13.125","0.001","35.302","0.003","85.974","0.006","85.177","0.006","73.555","0.006","3951","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL(C22)bpey]n","","","- C81 H122 Fe N4 O8 -","- C81 H122 Fe N4 O8 -","- C162 H244 Fe2 N8 O16 -","2","1","","Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit","Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties","Journal of Materials Chemistry C","2019","7","5","1151","","10.1039/C8TC05580G","","","0.71069","MoKα","","0.2631","0.1706","","","0.3967","0.4733","","","","","","1.283","","","","has coordinates","237765","2020-10-21","18:00:00",""
"7237549","9.4321","0.0018","11.805","0.002","12.282","0.002","94.069","0.004","90.556","0.004","101.72","0.003","1335.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H46 N4 -","- C52 H46 N4 -","- C52 H46 N4 -","1","0.5","","Tao, Tao; Gan, Yitao; Zhao, Yunxia; Yu, Jianghua; Huang, Qiong; Yang, Zhen; Chen, Mindong; Huang, Wei","Triphenylethylene-based biimidazoles showing preferable detection of explosives and their rhenium complexes undergoing chiral and cis‒trans transformations","Journal of Materials Chemistry C","2019","7","13","3765","","10.1039/C8TC05583A","","","0.71073","MoKα","","0.1464","0.1246","","","0.3233","0.347","","","","","","0.997","","","","has coordinates","237766","2020-10-21","18:00:00",""
"7237550","24.9354","0.0012","10.9203","0.0006","20.933","0.0012","90","","101.717","0.001","90","","5581.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H48 Cl7 N4 O3 Re -","- C57 H48 Cl7 N4 O3 Re -","- C228 H192 Cl28 N16 O12 Re4 -","4","0.5","","Tao, Tao; Gan, Yitao; Zhao, Yunxia; Yu, Jianghua; Huang, Qiong; Yang, Zhen; Chen, Mindong; Huang, Wei","Triphenylethylene-based biimidazoles showing preferable detection of explosives and their rhenium complexes undergoing chiral and cis‒trans transformations","Journal of Materials Chemistry C","2019","7","13","3765","","10.1039/C8TC05583A","","","0.71073","MoKα","","0.0357","0.0315","","","0.0803","0.0823","","","","","","1.101","","","","has coordinates,has disorder","237766","2020-10-21","18:00:00",""
"7237551","17.738","0.018","5.738","0.006","16.944","0.016","90","","93.92","0.02","90","","1721","3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H16 F10 O4 S2 -","- C40 H16 F10 O4 S2 -","- C80 H32 F20 O8 S4 -","2","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0896","0.0729","","","0.2434","0.2683","","","","","","1.216","","","","has coordinates","237768","2020-10-21","18:00:00",""
"7237552","7.507","0.002","7.869","0.002","16.68","0.005","98.558","0.006","99.414","0.006","106.779","0.006","910.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H20 F10 O4 -","- C46 H20 F10 O4 -","- C46 H20 F10 O4 -","1","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0865","0.0582","","","0.1584","0.1849","","","","","","1.062","","","","has coordinates","237768","2020-10-21","18:00:00",""
"7237553","8.224","0.004","10.029","0.005","13.383","0.007","79.95","0.04","77.865","0.019","88.186","0.019","1062.6","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H22 Cl6 F10 O4 -","- C45.998 H21.998 Cl5.994 F10 O4 -","- C45.998 H21.998 Cl5.994 F10 O4 -","1","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0443","0.0414","","","0.1049","0.1068","","","","","","1.091","","","","has coordinates,has disorder","237768","2020-10-21","18:00:00",""
"7237554","11.3978","0.0011","13.2721","0.0012","14.4774","0.0014","108.224","0.002","95.725","0.002","115.411","0.002","1807.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H24 F10 O4 -","- C47 H24 F10 O4 -","- C94 H48 F20 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0777","0.0491","","","0.1212","0.1427","","","","","","1.053","","","","has coordinates,has disorder","237768","2020-10-21","18:00:00",""
"7237555","8.7395","0.0008","9.8","0.0009","32.564","0.003","89.928","0.002","86.471","0.002","89.982","0.002","2783.7","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 O4 -","- C38 H26 O4 -","- C152 H104 O16 -","4","2","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0596","0.0414","","","0.1074","0.1203","","","","","","1.045","","","","has coordinates","237768","2020-10-21","18:00:00",""
"7237556","7.8623","0.0004","10.4103","0.0006","19.6258","0.0011","77.823","0.001","80.487","0.001","78.409","0.001","1525.47","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F10 O4 -","- C38 H16 F10 O4 -","- C76 H32 F20 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.1116","0.0632","","","0.1445","0.1695","","","","","","1.044","","","","has coordinates","237768","2020-10-21","18:00:00",""
"7237557","8.1455","0.0007","9.8705","0.0008","23.767","0.002","80.595","0.002","84.255","0.002","88.725","0.003","1875.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.84 H30.84 Cl2.52 O4 -","- C46.841 H30.841 Cl2.523 O4 -","- C93.682 H61.682 Cl5.046 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0924","0.0548","","","0.1337","0.1523","","","","","","1.022","","","","has coordinates,has disorder","237768","2020-10-21","18:00:00",""
"7237558","12.0511","0.0011","12.6535","0.0011","14.0972","0.0012","68.452","0.002","76.554","0.002","74.515","0.002","1905","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H28 F10 O4 -","- C48 H28 F10 O4 -","- C96 H56 F20 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0869","0.0532","","","0.1304","0.1506","","","","","","1.04","","","","has coordinates","237768","2020-10-21","18:00:00",""
"7237559","13.2155","0.001","9.1259","0.0007","15.7624","0.0012","90","","90.357","0.003","90","","1901","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 F10 O6 -","- C46 H32 F10 O6 -","- C92 H64 F20 O12 -","2","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.049","0.0412","","","0.1105","0.1174","","","","","","1.067","","","","has coordinates","237768","2020-10-21","18:00:00",""
"7237560","26.526","0.002","26.526","0.002","11.595","0.002","90","","90","","120","","7065.5","1.4","293","2","293","2","","","","","","","","7","P 3","P 3","143","","","","- C264 H289 Mn6 N42 O43 P Ru6 -","- C264 H289 Mn6 N42 O43 P Ru6 -","- C264 H289 Mn6 N42 O43 P Ru6 -","1","0.333333","","Zhang, Daopeng; Cano, Joan; Lan, Wenlong; Liu, Hui; Sun, Fenggang; Dong, Yunhui; Zhou, Zhen; Yang, Lu; Liu, Qingyun; Jiang, Jianzhuang","Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and systematic theoretical magnetism investigation","Journal of Materials Chemistry C","2019","7","12","3623","","10.1039/C8TC05650A","","","0.71073","MoKα","","0.1197","0.0687","","","0.1585","0.2055","","","","","","1.027","","","","has coordinates","237771","2020-10-21","18:00:00",""
"7237561","11.047","0.002","15.964","0.003","21.775","0.004","83.03","0.03","81.84","0.03","77.02","0.03","3688.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium (III)","Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium (III)","","- C40 H30 Cl2 Ir N6 S3 -","- C43 H30 Cl2 Ir N3 S3 -","- C172 H120 Cl8 Ir4 N12 S12 -","4","2","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","Synchrotron","","0.0409","0.0365","","","0.0885","0.0915","","","","","","1.056","","","","has coordinates,has disorder","237773","2020-10-21","18:00:00",""
"7237562","17.712","0.003","17.712","0.003","17.804","0.004","90","","90","","120","","4837.1","1.6","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)","Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)","","- C57 H33 Br3 Ir N3 O0.17 S3 -","- C57 H33 Br3 Ir N3 O0.1667 S3 -","- C228 H132 Br12 Ir4 N12 O0.6668 S12 -","4","0.333333","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","synchrotron","","0.0595","0.0468","","","0.1277","0.1371","","","","","","1.042","","","","has coordinates","237773","2020-10-21","18:00:00",""
"7237563","11.288","0.002","13.007","0.003","14.445","0.003","99.21","0.03","92.61","0.03","97.05","0.03","2073.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tris[5-bromo-2-(4-methyl-2-quinolinyl)-3-thienyl]iridium (III)","Tris[5-bromo-2-(4-methyl-2-quinolinyl)-3-thienyl]iridium (III)","","- C43 H27 Br3 Cl1.82 Ir N3 S3 -","- C43 H27 Br3 Cl1.827 Ir N3 S3 -","- C86 H54 Br6 Cl3.654 Ir2 N6 S6 -","2","1","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","synchrotron","","0.0391","0.0366","","","0.0964","0.0982","","","","","","1.037","","","","has coordinates,has disorder","237773","2020-10-21","18:00:00",""
"7237564","10.654","0.002","11.667","0.002","14.179","0.003","91.75","0.03","103.13","0.03","103.6","0.03","1661.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium(III)","","- C42 H30 Ir N3 S3 -","- C42 H30 Ir N3 S3 -","- C84 H60 Ir2 N6 S6 -","2","1","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","Synchrotron","","0.028","0.0273","","","0.081","0.0817","","","","","","1.135","","","","has coordinates","237773","2020-10-21","18:00:00",""
"7237565","33.7852","0.0009","9.1188","0.0002","8.659","0.0003","90","","95.866","0.003","90","","2653.7","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N0.67 -","- C13 H8 N0.666667 -","- C156 H96 N8 -","12","3","","Liu, Wei; Ying, Shian; Guo, Runda; Qiao, Xianfeng; Leng, Panpan; Zhang, Qing; Wang, Yaxiong; Ma, Dongge; Wang, Lei","Nondoped blue fluorescent organic light-emitting diodes based on benzonitrile-anthracene derivative with 10.06% external quantum efficiency and low efficiency roll-off","Journal of Materials Chemistry C","2019","7","4","1014","","10.1039/C8TC05707A","","x-ray","1.54184","CuKα","","0.064","0.0515","","","0.1452","0.158","","","","","","1.091","","","","has coordinates","237775","2020-10-21","18:00:00",""
"7237566","7.4203","0.0002","13.3663","0.0003","14.5908","0.0004","96.694","0.002","97.32","0.002","98.178","0.002","1407.32","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H8 N0.67 -","- C13 H8 N0.666667 -","- C78 H48 N4 -","6","3","","Liu, Wei; Ying, Shian; Guo, Runda; Qiao, Xianfeng; Leng, Panpan; Zhang, Qing; Wang, Yaxiong; Ma, Dongge; Wang, Lei","Nondoped blue fluorescent organic light-emitting diodes based on benzonitrile-anthracene derivative with 10.06% external quantum efficiency and low efficiency roll-off","Journal of Materials Chemistry C","2019","7","4","1014","","10.1039/C8TC05707A","","x-ray","1.54184","CuKα","","0.0555","0.0529","","","0.1387","0.1408","","","","","","1.039","","","","has coordinates","237775","2020-10-21","18:00:00",""
"7237567","9.18","0.0005","24.6758","0.0012","12.5032","0.0006","90","","102.385","0.0018","90","","2766.4","0.2","93","","93","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Pu, Yong-Jin; Satake, Rei; Koyama, Yuki; Otomo, Takahiro; Hayashi, Rika; Haruta, Naoki; Katagiri, Hiroshi; Otsuki, Daisuke; Kim, DaeGwi; Sato, Tohru","Absence of delayed fluorescence and triplet‒triplet annihilation in organic light emitting diodes with spatially orthogonal bianthracenes","Journal of Materials Chemistry C","2019","7","9","2541","","10.1039/C8TC05817B","","","0.71075","MoKα","","0.052","0.043","","","0.1072","0.1134","","","","","","1.11","","","","has coordinates","237777","2020-10-21","18:00:00",""
"7237568","16.274","0.005","10.787","0.003","24.384","0.008","90","","90","","90","","4281","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H50 N2 O26 Zn3 -","- C32 H12 O18 Zn3 -","- C128 H48 O72 Zn12 -","4","0.5","","Li, Huijun; Li, Qingqing; Xu, Zhouqing","Lanthanide cation encapsulated in a metal‒organic framework as a white LED and selective naked-eye reversible HCl sensor","Journal of Materials Chemistry C","2019","7","10","2880","","10.1039/C8TC05956J","","","0.71073","MoKα","","0.0896","0.0427","","","0.0968","0.1092","","","","","","0.776","","","","has coordinates","237779","2020-10-21","18:00:00",""
"7237569","6.043","0.003","11.817","0.006","12.667","0.007","110.247","0.005","94.315","0.006","103.043","0.005","815","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N Nd O10 -","- C14 H12 N Nd O10 -","- C28 H24 N2 Nd2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0376","0.0342","","","0.0961","0.1059","","","","","","1.167","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237570","5.9995","0.0008","11.778","0.0015","12.5839","0.0016","110.091","0.001","94.335","0.001","103.181","0.001","801.49","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Eu N O10 -","- C14 H12 Eu N O10 -","- C28 H24 Eu2 N2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.035","0.0282","","","0.082","0.1042","","","","","","0.89","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237571","6.006","0.003","11.758","0.007","12.603","0.007","110.141","0.006","94.201","0.007","102.98","0.006","803.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N O10 Sm -","- C14 H12 N O10 Sm -","- C28 H24 N2 O20 Sm2 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0358","0.0297","","","0.082","0.1088","","","","","","1.295","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237572","5.9791","0.0009","11.7581","0.0018","12.574","0.002","110.206","0.002","94.086","0.002","103.083","0.002","797.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Gd N O10 -","- C14 H12 Gd N O10 -","- C28 H24 Gd2 N2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0371","0.0302","","","0.076","0.0787","","","","","","0.883","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237573","5.9552","0.001","11.78","0.002","12.542","0.002","110.04","0.002","94.431","0.002","103.214","0.002","793","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Dy N O10 -","- C14 H12 Dy N O10 -","- C28 H24 Dy2 N2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0363","0.0277","","","0.0799","0.0994","","","","","","0.831","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237574","5.9619","0.0019","11.757","0.004","12.566","0.004","110.209","0.004","94.073","0.004","103.086","0.003","794.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N O10 Tb -","- C14 H12 N O10 Tb -","- C28 H24 N2 O20 Tb2 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.031","0.0253","","","0.0675","0.0888","","","","","","1.268","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237575","15.012","0.002","16.24","0.002","20.022","0.003","97.891","0.003","90.762","0.003","115.608","0.003","4345.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H48 F24 Ir2 N14 O2 -","- C88 H48 F24 Ir2 N14 O2 -","- C176 H96 F48 Ir4 N28 O4 -","2","1","","Lu, Guang-Zhao; Liu, Liang; Tu, Zhen-Long; Zhou, Yong-Hui; Zheng, You-Xuan","Two green iridium(iii) complexes containing the electron-transporting group of 4-phenyl-4H-1,2,4-triazole for highly efficient OLEDs","Journal of Materials Chemistry C","2019","7","7","2022","","10.1039/C8TC06010J","","","0.71073","MoKα","","0.0964","0.0615","","","0.1585","0.1851","","","","","","1.034","","","","has coordinates,has disorder","237783","2020-10-21","18:00:00",""
"7237576","13.884","0.003","24.698","0.005","12.797","0.002","90","","112.167","0.003","90","","4063.8","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 F12 Ir N7 O -","- C44 H24 F12 Ir N7 O -","- C176 H96 F48 Ir4 N28 O4 -","4","1","","Lu, Guang-Zhao; Liu, Liang; Tu, Zhen-Long; Zhou, Yong-Hui; Zheng, You-Xuan","Two green iridium(iii) complexes containing the electron-transporting group of 4-phenyl-4H-1,2,4-triazole for highly efficient OLEDs","Journal of Materials Chemistry C","2019","7","7","2022","","10.1039/C8TC06010J","","","0.71073","MoKα","","0.0591","0.0502","","","0.1213","0.1383","","","","","","0.979","","","","has coordinates,has disorder","237783","2020-10-21","18:00:00",""
"7237577","13.8029","0.0004","9.9367","0.0002","16.9651","0.0005","90","","107.887","0.003","90","","2214.38","0.11","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O S -","- C31 H21 N O S -","- C124 H84 N4 O4 S4 -","4","1","","Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo","Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects","Journal of Materials Chemistry C","2019","7","11","3300","","10.1039/C8TC06039H","","x-ray","1.54184","CuKα","","0.0443","0.0399","","","0.111","0.1158","","","","","","1.026","","","","has coordinates","237785","2020-10-21","18:00:00",""
"7237578","8.8797","0.0012","11.1418","0.0016","13.7638","0.0011","107.046","0.01","93.45","0.009","94.833","0.012","1292.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 N O S -","- C35 H23 N O S -","- C70 H46 N2 O2 S2 -","2","1","","Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo","Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects","Journal of Materials Chemistry C","2019","7","11","3300","","10.1039/C8TC06039H","","","1.54184","CuKα","","0.1032","0.0719","","","0.1941","0.2313","","","","","","1.044","","","","has coordinates","237785","2020-10-21","18:00:00",""
"7237579","9.9399","0.0003","10.4405","0.0003","16.8221","0.0005","100.704","0.003","97.491","0.003","107.87","0.003","1599.52","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H27 Cl2 N O S -","- C42 H27 Cl2 N O S -","- C84 H54 Cl4 N2 O2 S2 -","2","1","","Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo","Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects","Journal of Materials Chemistry C","2019","7","11","3300","","10.1039/C8TC06039H","","x-ray","1.54184","CuKα","","0.0489","0.0452","","","0.1232","0.1276","","","","","","1.04","","","","has coordinates","237785","2020-10-21","18:00:00",""
"7237580","4.8792","0.0004","5.6694","0.0004","10.1845","0.0008","100.369","0.002","97.316","0.002","93.225","0.002","273.96","0.04","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","Sn(NCS)2","","- C2 N2 S2 Sn -","- C2 N2 S2 Sn -","- C4 N4 S4 Sn2 -","2","1","","Wechwithayakhlung, Chayanit; Packwood, Daniel M.; Chaopaknam, Jidapa; Worakajit, Pimpisut; Ittisanronnachai, Somlak; Chanlek, Narong; Promarak, Vinich; Kongpatpanich, Kanokwan; Harding, David J.; Pattanasattayavong, Pichaya","Tin(ii) thiocyanate Sn(NCS)2 ‒ a wide band gap coordination polymer semiconductor with a 2D structure","Journal of Materials Chemistry C","2019","7","12","3452","","10.1039/C8TC06150E","","x-ray","0.71073","MoKα","","0.0152","0.0143","","","0.0396","0.04","","","","","","1.141","","","","has coordinates","237787","2020-10-21","18:00:00",""
"7237581","19.915","0.003","19.847","0.003","16.513","0.003","90","","102.719","0.003","90","","6366.7","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H24 B2 F30 N4 O4 -","- C72 H24 B2 F30 N4 O4 -","- C288 H96 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.1219","0.0529","","","0.0948","0.1211","","","","","","0.994","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237582","19.909","0.004","19.531","0.004","16.642","0.003","90","","100.891","0.003","90","","6355","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H20 B2 F34 N4 O4 -","- C72 H20 B2 F34 N4 O4 -","- C288 H80 B8 F136 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.1261","0.05","","","0.1003","0.1353","","","","","","0.992","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237583","11.374","0.002","20.799","0.004","14.4","0.003","90","","99.032","0.003","90","","3364.3","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O4 -","- C76 H32 B2 F30 N4 O4 -","- C152 H64 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.089","0.0539","","","0.0994","0.1123","","","","","","1.035","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237584","19.7642","0.0014","19.922","0.0014","16.6275","0.0012","90","","102.396","0.001","90","","6394.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H20 B2 F34 N4 O4 -","- C72 H20 B2 F34 N4 O4 -","- C288 H80 B8 F136 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0901","0.0432","","","0.0833","0.1023","","","","","","1.021","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237585","20.0151","0.0014","19.7169","0.0013","16.4873","0.0011","90","","102.466","0.001","90","","6353.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H20 B2 F34 N4 O4 -","- C72 H20 B2 F34 N4 O4 -","- C288 H80 B8 F136 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0626","0.0395","","","0.0907","0.1076","","","","","","0.997","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237586","20.023","0.0014","20.3398","0.0014","16.3764","0.0011","90","","104.496","0.001","90","","6457.2","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H28 B2 F30 N4 O4 -","- C74 H28 B2 F30 N4 O4 -","- C296 H112 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0914","0.0488","","","0.0968","0.1169","","","","","","0.974","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237587","20.0647","0.0016","20.4856","0.0016","16.4295","0.0013","90","","104.942","0.001","90","","6524.8","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0808","0.0545","","","0.1348","0.1542","","","","","","1.029","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237588","11.4404","0.0009","20.9135","0.0016","14.3076","0.0011","90","","99.72","0.001","90","","3374.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O6 -","- C76 H32 B2 F30 N4 O6 -","- C152 H64 B4 F60 N8 O12 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","","","0.0738","0.0441","","","0.0976","0.114","","","","","","1.003","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237589","13.4427","0.0013","14.132","0.0014","15.7877","0.0015","85.81","0.002","84.834","0.002","88.496","0.002","2978.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H17 B2 F33 N4 O4 -","- C67 H17 B2 F33 N4 O4 -","- C134 H34 B4 F66 N8 O8 -","2","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","","","0.0917","0.0492","","","0.1012","0.1213","","","","","","1.006","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237590","11.1604","0.0011","21.035","0.002","14.8978","0.0015","90","","99.764","0.002","90","","3446.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H36 B2 F30 N4 O4 -","- C78 H36 B2 F30 N4 O4 -","- C156 H72 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0579","0.0398","","","0.0976","0.1075","","","","","","1.024","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237591","20.0295","0.0019","20.6089","0.0019","16.3863","0.0015","90","","105.092","0.001","90","","6530.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.1538","0.0656","","","0.1322","0.1709","","","","","","0.998","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237592","19.958","0.003","19.786","0.003","16.513","0.002","90","","102.162","0.002","90","","6374.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H22 B2 F32 N4 O4 -","- C72 H22 B2 F32 N4 O4 -","- C288 H88 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0857","0.0542","","","0.127","0.1443","","","","","","1.04","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237593","20.1002","0.0013","20.5714","0.0014","16.2701","0.0011","90","","105.099","0.001","90","","6495.3","0.8","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0722","0.0425","","","0.098","0.1177","","","","","","0.989","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237594","11.269","0.008","21.529","0.015","14.26","0.01","90","","95.458","0.008","90","","3444","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O8 -","- C76 H32 B2 F30 N4 O8 -","- C152 H64 B4 F60 N8 O16 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0682","0.0449","","","0.1294","0.1539","","","","","","0.941","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237595","10.1337","0.0014","12.1832","0.0017","39.958","0.006","90","","94.845","0.007","90","","4915.6","1.2","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 N3 S -","- C32 H21 N3 S -","- C256 H168 N24 S8 -","8","2","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","1.34139","GaKα","","0.1158","0.0816","","","0.2132","0.2462","","","","","","1.023","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237596","9.2421","0.0005","25.8803","0.0015","10.1049","0.0007","90","","99.171","0.006","90","","2386.1","0.3","119.9","","119.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 S -","- C31 H20 N4 S -","- C124 H80 N16 S4 -","4","1","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","0.71073","MoKα","","0.0686","0.0485","","","0.1101","0.1254","","","","","","1.031","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237597","9.3757","0.0005","9.533","0.0006","28.1021","0.0018","90","","90","","90","","2511.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N3 O S -","- C33 H23 N3 O S -","- C132 H92 N12 O4 S4 -","4","1","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","0.71073","MoKα","","0.0486","0.039","","","0.0847","0.0906","","","","","","1.036","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237598","38.055","0.0016","8.6859","0.0004","48.844","0.002","90","","90","","90","","16145","1.2","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H47 B11 N4 S -","- C35 H47 B11 N4 S -","- C560 H752 B176 N64 S16 -","16","4","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","1.34139","GaKα","","0.1115","0.0997","","","0.2594","0.2723","","","","","","1.021","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237599","27.33","0.004","27.33","0.004","5.9874","0.0009","90","","90","","90","","4472.2","1.1","173.01","0.1","173.01","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C14 H13 N O -","- C14 H13 N O -","- C224 H208 N16 O16 -","16","2","","Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan","Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule","Journal of Materials Chemistry C","2019","7","9","2530","","10.1039/C8TC06202A","","","0.71073","MoKα","","0.1534","0.0798","","","0.0981","0.1188","","","","","","0.979","","","","has coordinates","237794","2020-10-21","18:00:00",""
"7237600","27.4577","0.0012","27.4577","0.0012","5.9843","0.0004","90","","90","","90","","4511.7","0.4","100","0.1","100","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C56 H52 N4 O4 -","- C56 H52 N4 O4 -","- C224 H208 N16 O16 -","4","0.5","","Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan","Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule","Journal of Materials Chemistry C","2019","7","9","2530","","10.1039/C8TC06202A","","x-ray","0.71073","MoKα","","0.0613","0.0472","","","0.104","0.11","","","","","","1.066","","","","has coordinates","237794","2020-10-21","18:00:00",""
"7237601","12.1075","0.0006","15.9308","0.0007","20.0007","0.0014","90","","107.869","0.005","90","","3671.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Bi2 Cl9 N3 -","- C18 H42 Bi2 Cl9 N3 -","- C72 H168 Bi8 Cl36 N12 -","4","1","","Wang, Qing; Zhang, Yu-Wei; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion","Journal of Materials Chemistry C","2019","7","10","2994","","10.1039/C8TC06228E","","","0.71073","MoKα","","0.0577","0.0443","","","0.1286","0.1339","","","","","","1.129","","","","has coordinates","237796","2020-10-21","18:00:00",""
"7237602","9.7795","0.0009","9.7795","0.0009","23.197","0.005","90","","90","","120","","1921.3","0.5","443","2","443","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C15 Bi2 Cl9 N3 -","- C15 Bi2 Cl9 N2 -","- C30 Bi4 Cl18 N4 -","2","0.0833333","","Wang, Qing; Zhang, Yu-Wei; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion","Journal of Materials Chemistry C","2019","7","10","2994","","10.1039/C8TC06228E","","","0.71073","MoKα","","0.2094","0.1328","","","0.3676","0.3818","","","","","","1.026","","","","has coordinates","237796","2020-10-21","18:00:00",""
"7237603","5.7067","0.0003","7.2919","0.0003","15.0345","0.0009","101.367","0.004","96.548","0.004","90.231","0.004","609.13","0.06","294.8","0.5","294.8","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C30 H20 N8 -","2","1","","Zhang, Ning-Ning; Sa, Rong-Jian; Sun, Shan-Shan; Li, Ming-De; Wang, Ming-Sheng; Guo, Guo-Cong","Photoresponsive triazole-based donor‒acceptor molecules: color change and heat/air-stable diradicals","Journal of Materials Chemistry C","2019","7","10","3100","","10.1039/C8TC06231E","","","1.54178","CuKα","","0.0405","0.0367","","","0.1056","0.1106","","","","","","0.992","","","","has coordinates","237798","2020-10-21","18:00:00",""
"7237604","5.6371","0.0005","7.4472","0.0006","15.0753","0.001","93.055","0.006","96.81","0.006","90.542","0.007","627.43","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C30 H26 N6 O2 -","2","1","","Zhang, Ning-Ning; Sa, Rong-Jian; Sun, Shan-Shan; Li, Ming-De; Wang, Ming-Sheng; Guo, Guo-Cong","Photoresponsive triazole-based donor‒acceptor molecules: color change and heat/air-stable diradicals","Journal of Materials Chemistry C","2019","7","10","3100","","10.1039/C8TC06231E","","","0.71073","MoKα","","0.0785","0.0482","","","0.1174","0.1306","","","","","","1.076","","","","has coordinates","237798","2020-10-21","18:00:00",""
"7237605","4.7639","0.0013","8.744","0.002","14.31","0.007","90.45","0.05","93.46","0.03","96.76","0.03","590.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(S)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","1","1","","Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike","Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport","Journal of Materials Chemistry C","2019","7","9","2659","","10.1039/C8TC06273K","","","1.54178","CuKα","","0.0767","0.0704","","","0.1829","0.1886","","","","","","1.105","","","","has coordinates","237799","2020-10-21","18:00:00",""
"7237606","4.8296","0.0002","8.7435","0.0003","14.4477","0.0005","89.914","0.001","86.096","0.001","82.549","0.001","603.52","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","1","1","","Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike","Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport","Journal of Materials Chemistry C","2019","7","9","2659","","10.1039/C8TC06273K","","","1.54178","CuKα","","0.0541","0.0526","","","0.1536","0.1564","","","","","","1.072","","","","has coordinates,has disorder","237799","2020-10-21","18:00:00",""
"7237607","21.676","0.004","11.875","0.002","12.363","0.003","90","","90","","90","","3182.3","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H35 Br N4 O3 -","- C35 H35 Br N4 O3 -","- C140 H140 Br4 N16 O12 -","4","1","","Jiang, Daoyong; Xue, Xingying; Zhang, Guoning; Wang, Yucheng; Zhang, Han; Feng, Chao; Wang, Zhifei; Zhao, Hong","Simple and efficient rhodamine-derived VO2+ and Cu2±responsive colorimetric and reversible fluorescent chemosensors toward the design of multifunctional materials","Journal of Materials Chemistry C","2019","7","12","3576","","10.1039/C8TC06296J","","","0.71073","MoKα","","0.0765","0.0507","","","0.1005","0.1118","","","","","","1.072","","","","has coordinates","237800","2020-10-21","18:00:00",""
"7237608","11.757","0.002","12.113","0.002","22.483","0.005","90","","90","","90","","3201.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Br2 N4 O3 -","- C35 H34 Br2 N4 O3 -","- C140 H136 Br8 N16 O12 -","4","1","","Jiang, Daoyong; Xue, Xingying; Zhang, Guoning; Wang, Yucheng; Zhang, Han; Feng, Chao; Wang, Zhifei; Zhao, Hong","Simple and efficient rhodamine-derived VO2+ and Cu2±responsive colorimetric and reversible fluorescent chemosensors toward the design of multifunctional materials","Journal of Materials Chemistry C","2019","7","12","3576","","10.1039/C8TC06296J","","","0.71073","MoKα","","0.0955","0.0628","","","0.1256","0.1408","","","","","","1.041","","","","has coordinates","237800","2020-10-21","18:00:00",""
"7237609","24.1517","0.0006","9.1349","0.00017","19.4787","0.0005","90","","112.16","0.003","90","","3980.02","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N -","- C28 H21 N -","- C224 H168 N8 -","8","2","","Khalid Baig, Moghal Zubair; Prusti, Banchhanidhi; Chakravarty, Manab","Monopyridyl-linked unsymmetrical anthracenyl π-conjugate as a platform for acid-pen and base-eraser","Journal of Materials Chemistry C","2019","7","13","3735","","10.1039/C8TC06338A","","x-ray","1.54184","CuKα","","0.064","0.0608","","","0.1665","0.1694","","","","","","1.0518","","","","has coordinates","237802","2020-10-21","18:00:00",""
"7237610","6.0496","0.0004","7.488","0.0004","23.2847","0.0009","88.896","0.004","88.491","0.004","81.556","0.005","1042.86","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 Cl N -","- C28 H22 Cl N -","- C56 H44 Cl2 N2 -","2","1","","Khalid Baig, Moghal Zubair; Prusti, Banchhanidhi; Chakravarty, Manab","Monopyridyl-linked unsymmetrical anthracenyl π-conjugate as a platform for acid-pen and base-eraser","Journal of Materials Chemistry C","2019","7","13","3735","","10.1039/C8TC06338A","","x-ray","0.71073","MoKα","","0.045","0.0385","","","0.1265","0.1327","","","","","","1.08","","","","has coordinates","237802","2020-10-21","18:00:00",""
"7237611","11.5684","0.0006","16.2297","0.0009","23.952","0.0014","90","","101.587","0.001","90","","4405.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 F6 Ir N5 P2 S2 -","- C46 H32 F6 Ir N5 P2 S2 -","- C184 H128 F24 Ir4 N20 P8 S8 -","4","1","","Ma, Xiao-Feng; Xia, Jing-Cheng; Yan, Zhi-Ping; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan; Zhang, Wen-Wei","Highly efficient green and red electroluminescence with an extremely low efficiency roll-off based on iridium(iii) complexes containing a bis(diphenylphorothioyl)amide ancillary ligand","Journal of Materials Chemistry C","2019","7","9","2570","","10.1039/C8TC06346J","","","0.71073","MoKα","","0.0379","0.0278","","","0.0622","0.0666","","","","","","1.032","","","","has coordinates,has disorder","237803","2020-10-21","18:00:00",""
"7237612","20.775","0.003","22.658","0.004","10.1503","0.0016","90","","90","","90","","4777.9","1.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H36 F6 Ir N5 P2 S2 -","- C54 H36 F6 Ir N5 P2 S2 -","- C216 H144 F24 Ir4 N20 P8 S8 -","4","0.5","","Ma, Xiao-Feng; Xia, Jing-Cheng; Yan, Zhi-Ping; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan; Zhang, Wen-Wei","Highly efficient green and red electroluminescence with an extremely low efficiency roll-off based on iridium(iii) complexes containing a bis(diphenylphorothioyl)amide ancillary ligand","Journal of Materials Chemistry C","2019","7","9","2570","","10.1039/C8TC06346J","","","0.71073","MoKα","","0.0495","0.0461","","","0.1035","0.1051","","","","","","1.162","","","","has coordinates,has disorder","237803","2020-10-21","18:00:00",""
"7237613","27.1547","0.0006","35.3955","0.0007","26.6127","0.0005","90","","94.692","0.001","90","","25493.2","0.9","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C125 H108 Au3 Cl13 N4 O8 P8 Pt -","- C125 H108 Au3 Cl13 N4 O8 P8 Pt -","- C1000 H864 Au24 Cl104 N32 O64 P64 Pt8 -","8","2","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","PtAu3 cluster complexes with narrow-band emissions for solution-processed organic light emitting diodes","Journal of Materials Chemistry C","2019","7","9","2604","","10.1039/C8TC06384B","","","0.71073","MoKα","","0.0803","0.0493","","","0.1195","0.1365","","","","","","1.069","","","","has coordinates,has disorder","237805","2020-10-21","18:00:00",""
"7237614","19.1619","0.0006","25.9141","0.0009","23.8186","0.001","90","","97.305","0.001","90","","11731.4","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C127 H108 Au3 Cl8 N2 O9 P8 Pt -","- C127 H106 Au3 Cl8 N2 O9 P8 Pt -","- C508 H424 Au12 Cl32 N8 O36 P32 Pt4 -","4","1","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","PtAu3 cluster complexes with narrow-band emissions for solution-processed organic light emitting diodes","Journal of Materials Chemistry C","2019","7","9","2604","","10.1039/C8TC06384B","","","0.71073","MoKα","","0.0444","0.0386","","","0.0876","0.0902","","","","","","1.069","","","","has coordinates,has disorder","237805","2020-10-21","18:00:00",""
"7237615","7.8705","0.0003","13.512","0.0006","19.4137","0.001","90","","90","","90","","2064.57","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F2 N2 -","- C22 H25 B F2 N2 -","- C88 H100 B4 F8 N8 -","4","1","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0513","0.0388","","","0.0896","0.0983","","","","","","1.056","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237616","13.0734","0.0004","12.6281","0.0003","20.3826","0.0005","90","","90","","90","","3365.01","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C152 H152 B8 F16 N16 -","8","1","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0623","0.0455","","","0.1189","0.1327","","","","","","1.055","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237617","11.3643","0.0006","7.1999","0.0003","16.0342","0.0007","90","","90","","90","","1311.95","0.11","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0528","0.0407","","","0.0999","0.1091","","","","","","1.041","","","","has coordinates,has disorder","237807","2020-10-21","18:00:00",""
"7237618","14.031","0.003","15.207","0.003","26.212","0.006","90","","90","","90","","5593","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B F2 N2 -","- C20 H21 B F2 N2 -","- C240 H252 B12 F24 N24 -","12","3","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.1945","0.1362","","","0.3491","0.392","","","","","","1.315","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237619","9.973","0.004","8.757","0.004","15.809","0.006","90","","90","","90","","1380.7","1","173","2","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 N2 Nd O8 -","- C14 H7 N2 Nd O8 -","- C56 H28 N8 Nd4 O32 -","4","0.5","","Zeng, Min; Zhan, Chuanlang; Yao, Jiannian","Novel bimetallic lanthanide metal‒organic frameworks (Ln-MOFs) for colour-tuning through energy-transfer between visible and near-infrared emitting Ln3+ ions","Journal of Materials Chemistry C","2019","7","9","2751","","10.1039/C8TC06445H","","","0.71073","MoKα","","0.0321","0.0314","","","0.0916","0.0925","","","","","","1.156","","","","has coordinates","237809","2020-10-21","18:00:00",""
"7237620","6.4925","0.0013","17.852","0.004","9.35","0.002","90","","94.942","0.003","90","","1079.7","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 Nd2 O14 -","- C21 H13 N3 Nd2 O14 -","- C42 H26 N6 Nd4 O28 -","2","0.5","","Zeng, Min; Zhan, Chuanlang; Yao, Jiannian","Novel bimetallic lanthanide metal‒organic frameworks (Ln-MOFs) for colour-tuning through energy-transfer between visible and near-infrared emitting Ln3+ ions","Journal of Materials Chemistry C","2019","7","9","2751","","10.1039/C8TC06445H","","","0.71073","MoKα","","0.033","0.0322","","","0.0751","0.0757","","","","","","1.167","","","","has coordinates","237811","2020-10-21","18:00:00",""
"7237621","8.692","0.0002","15.055","0.0002","21.9675","0.0006","90","","90","","90","","2874.62","0.11","189.9","0.2","189.9","0.2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H15 Bi2 I9 N6 -","- C3 H15 Bi2 I9 N6 -","- C12 H60 Bi8 I36 N24 -","4","0.5","","Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka","Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9","Journal of Materials Chemistry C","2019","7","10","3003","","10.1039/C8TC06458J","","x-ray","0.71073","MoKα","","0.0792","0.0631","","","0.1929","0.206","","","","","","1.206","","","","has coordinates","237813","2020-10-21","18:00:00",""
"7237622","8.7119","0.0002","8.7119","0.0002","22.0141","0.0009","90","","90","","120","","1446.96","0.08","219.8","0.4","219.8","0.4","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C3 H15 Bi2 I9 N6 -","- C3 H17.9997 Bi2 I9 N5.9994 -","- C6 H35.9994 Bi4 I18 N11.9988 -","2","0.166667","","Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka","Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9","Journal of Materials Chemistry C","2019","7","10","3003","","10.1039/C8TC06458J","","x-ray","0.71073","MoKα","","0.0406","0.034","","","0.0851","0.0877","","","","","","1.257","","","","has coordinates","237813","2020-10-21","18:00:00",""
"7237623","12.1166","0.0019","26.53","0.004","5.9228","0.0009","90","","90","","90","","1903.9","0.5","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","2,3-TFBP","","","- C12 H6 F4 -","- C12 H6 F4 -","- C96 H48 F32 -","8","0.5","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.0205","0.0199","","","0.0501","0.0508","","","","","","1.068","","","","has coordinates","237815","2020-10-21","18:00:00",""
"7237624","3.7497","0.0006","10.4225","0.0017","23.936","0.004","90","","90.849","0.002","90","","935.3","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-TFBP","","","- C12 H6 F4 -","- C12 H6 F4 -","- C48 H24 F16 -","4","1","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.0499","0.0423","","","0.1108","0.116","","","","","","1.104","","","","has coordinates","237815","2020-10-21","18:00:00",""
"7237625","7.338","0.002","12.605","0.004","19.886","0.006","90","","90","","90","","1839.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C96 H48 F32 -","8","1","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.1104","0.0744","","","0.1771","0.2235","","","","","","1.18","","","","has coordinates","237815","2020-10-21","18:00:00",""
"7237626","10.3811","0.0003","13.2135","0.0004","13.8306","0.0004","81.924","0.002","77.158","0.002","72.986","0.002","1762.94","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","4Br4Ph","","- C46 H26 Br4 -","- C46 H26 Br4 -","- C92 H52 Br8 -","2","1","","Sato, Ryonosuke; Eda, Shohei; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Mori, Takehiko","Ambipolar transistors based on chloro-substituted tetraphenylpentacene","Journal of Materials Chemistry C","2019","7","11","3294","","10.1039/C8TC06603E","","","1.54186","CuKα","","0.0905","0.0685","","","0.1592","0.1983","","","","","","1.013","","","","has coordinates","237817","2020-10-21","18:00:00",""
"7237627","10.377","0.0013","12.874","0.002","13.3509","0.0017","86.033","0.006","77.911","0.004","74.579","0.005","1681.1","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","4Cl4Ph","","- C46 H26 Cl4 -","- C46 H26 Cl4 -","- C92 H52 Cl8 -","2","1","","Sato, Ryonosuke; Eda, Shohei; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Mori, Takehiko","Ambipolar transistors based on chloro-substituted tetraphenylpentacene","Journal of Materials Chemistry C","2019","7","11","3294","","10.1039/C8TC06603E","","","0.71075","MoKα","","0.1153","0.0694","","","0.168","0.2304","","","","","","1.029","","","","has coordinates","237817","2020-10-21","18:00:00",""
"7237628","10.039","0.0002","13.07","0.0002","13.409","0.0002","112.658","0.001","103.943","0.001","92.256","0.001","1558.51","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","4F4Ph","","","- C46 H26 F4 -","- C46 H26 F4 -","- C92 H52 F8 -","2","1","","Sato, Ryonosuke; Eda, Shohei; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Mori, Takehiko","Ambipolar transistors based on chloro-substituted tetraphenylpentacene","Journal of Materials Chemistry C","2019","7","11","3294","","10.1039/C8TC06603E","","","1.54186","CuKα","","0.1144","0.0677","","","0.1814","0.2312","","","","","","0.968","","","","has coordinates","237817","2020-10-21","18:00:00",""
"7237629","14.288","0.005","13.854","0.005","28.391","0.01","90","","103.983","0.009","90","","5453","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 N2 O8 Tb Zn -","- C52 H45 N2 O8 Tb Zn -","- C208 H180 N8 O32 Tb4 Zn4 -","4","1","","He, Yani; Liu, Lin; Fu, Guorui; Li, Wentao; Lü, Xingqiang; He, Hongshan; Wong, Wai-Yeung","Efficient white polymer light-emitting diodes (WPLEDs) based on double emitting layers of a PVK:Eu(iii)-complex and Alq3","Journal of Materials Chemistry C","2019","7","16","4800","","10.1039/C8TC06610H","","","0.71073","MoKα","","0.3187","0.111","","","0.2437","0.3314","","","","","","0.891","","","","has coordinates","237819","2020-10-21","18:00:00",""
"7237630","9.0161","0.0005","12.1545","0.0009","14.2631","0.0008","90.32","0.006","92.439","0.006","91.052","0.006","1561.33","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Co Dy N10 O9 -","- C22 H38 Co Dy N10 O9 -","- C44 H76 Co2 Dy2 N20 O18 -","2","1","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Humidity driven molecular switch based on photoluminescent DyIIICoIII single-molecule magnets","Journal of Materials Chemistry C","2019","7","14","4164","","10.1039/C8TC06630B","","x-ray","0.71075","MoKα","","0.0867","0.0627","","","0.0935","0.1029","","","","","","1.143","","","","has coordinates","237821","2020-10-21","18:00:00",""
"7237631","9.0316","0.0008","12.069","0.0011","14.0244","0.0011","95.225","0.007","90.46","0.006","90.216","0.006","1522.3","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 Co Dy N10 O8 -","- C22 H36 Co Dy N10 O8 -","- C44 H72 Co2 Dy2 N20 O16 -","2","1","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Humidity driven molecular switch based on photoluminescent DyIIICoIII single-molecule magnets","Journal of Materials Chemistry C","2019","7","14","4164","","10.1039/C8TC06630B","","x-ray","0.71075","MoKα","","0.1222","0.0948","","","0.1458","0.1547","","","","","","1.171","","","","has coordinates","237821","2020-10-21","18:00:00",""
"7237632","15.075","0.003","17.897","0.004","20.43","0.004","67.14","0.03","81","0.03","77.91","0.03","4949","2","100","2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H127 N2 O2 S12 Si2 -","- C100 H127 N2 O2 S12 Si2 -","- C200 H254 N4 O4 S24 Si4 -","2","1","","Lee, Calvin J.; Mitchell, Valerie D.; White, Jonathan; Jiao, Xuechen; McNeill, Christopher R.; Subbiah, Jegadesan; Jones, David J.","Solubilizing core modifications on high-performing benzodithiophene-based molecular semiconductors and their influences on film nanostructure and photovoltaic performance","Journal of Materials Chemistry A","2019","7","11","6312","","10.1039/C9TA00168A","","","0.71092","Synchrotron","","0.1291","0.0936","","","0.256","0.2895","","","","","","1.039","","","","has coordinates,has disorder","238449","2020-10-21","18:00:00",""
"7237633","12.4096","0.0005","21.385","0.0008","16.206","0.0006","90","","103.343","0.004","90","","4184.6","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Eu2 N0 O15 -","- C36 H22 Eu2 O15 -","- C144 H88 Eu8 O60 -","4","0.5","","Zhao, Yifang; Wan, Meng-Yan; Bai, Jian-Ping; Zeng, Heng; Lu, Weigang; Li, Dan","pH-Modulated luminescence switching in a Eu-MOF: rapid detection of acidic amino acids","Journal of Materials Chemistry A","2019","7","18","11127","","10.1039/C9TA00384C","","","1.54184","CuKα","","0.0603","0.0509","","","0.1272","0.1318","","","","","","1.051","","","","has coordinates","238452","2020-10-21","18:00:00",""
"7237634","11.937","0.0001","21.893","0.0001","16.5712","0.0001","90","","100.534","0.001","90","","4257.68","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Eu2 N3 O15 -","- C45 H39 Eu2 N3 O15 -","- C180 H156 Eu8 N12 O60 -","4","1","","Zhao, Yifang; Wan, Meng-Yan; Bai, Jian-Ping; Zeng, Heng; Lu, Weigang; Li, Dan","pH-Modulated luminescence switching in a Eu-MOF: rapid detection of acidic amino acids","Journal of Materials Chemistry A","2019","7","18","11127","","10.1039/C9TA00384C","","","1.54184","CuKα","","0.0341","0.031","","","0.0912","0.0932","","","","","","1.103","","","","has coordinates","238452","2020-10-21","18:00:00",""
"7237635","9.675","0.0003","10.7761","0.0004","12.886","0.0004","101.486","0.003","100.639","0.003","112.862","0.003","1160.97","0.08","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C46 H54 Cl4 N4 O6 -","- C46 H54 Cl4 N4 O6 -","- C46 H54 Cl4 N4 O6 -","1","1","","Owais, Ahmed; Djerdjev, Alex M.; Hook, James M.; Yuen, Alex; Rowlands, William; White, Nicholas G.; Neto, Chiara","Host‒guest interactions of catechol and 4-ethylcatechol with surface-immobilized blue-box molecules","Journal of Materials Chemistry A","2019","7","20","12713","","10.1039/C9TA00556K","","","1.54184","CuKα","","0.0721","0.0702","","0.2116","0.2062","0.2116","","","","","","0.9781","","","","has coordinates,has disorder","238454","2020-10-21","18:00:00",""
"7237636","40.4587","0.0008","11.7583","0.0002","17.7354","0.0003","90","","105.271","0.002","90","","8139.3","0.3","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PDO1","3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-methoxyphenyl)-10H-phenothiazine 5,5-dioxide","","- C47 H41 N3 O7 S -","- C47 H41 N3 O7 S -","- C376 H328 N24 O56 S8 -","8","1","","Ding, Xingdong; Chen, Cheng; Sun, Linghao; Li, Hongping; Chen, Hong; Su, Jie; Li, Huaming; Li, Henan; Xu, Li; Cheng, Ming","Highly efficient phenothiazine 5,5-dioxide-based hole transport materials for planar perovskite solar cells with a PCE exceeding 20%","Journal of Materials Chemistry A","2019","7","16","9510","","10.1039/C9TA00654K","","x-ray","0.71073","MoKα","","0.058","0.0485","","","0.1463","0.1542","","","","","","1.054","","","","has coordinates","238456","2020-10-21","18:00:00",""
"7237637","12.914","0.0007","22.0318","0.0014","17.9982","0.0014","90","","97.635","0.006","90","","5075.4","0.6","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","PDO2","3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-(bis(4-methoxyphenyl)amino)phenyl)-10H-phenothiazine 5,5-dioxide","","- C60 H52 N4 O8 S -","- C60 H52 N4 O8 S -","- C240 H208 N16 O32 S4 -","4","0.5","","Ding, Xingdong; Chen, Cheng; Sun, Linghao; Li, Hongping; Chen, Hong; Su, Jie; Li, Huaming; Li, Henan; Xu, Li; Cheng, Ming","Highly efficient phenothiazine 5,5-dioxide-based hole transport materials for planar perovskite solar cells with a PCE exceeding 20%","Journal of Materials Chemistry A","2019","7","16","9510","","10.1039/C9TA00654K","","","0.71073","MoKα","","0.1123","0.0808","","","0.2294","0.2549","","","","","","1.074","","","","has coordinates,has disorder","238456","2020-10-21","18:00:00",""
"7237638","25.287","0.004","14.2223","0.0018","13.78","0.002","90","","121.338","0.009","90","","4232.8","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl2 Cu N3 O2 -","- C23 H19 Cl2 Cu N3 O2 -","- C184 H152 Cl16 Cu8 N24 O16 -","8","1","","Khavasi, Hamid Reza; Jelokhani, Elham","A copperohydrogel as a chemosensor for selective detection of oxometalate anions in water","Journal of Materials Chemistry A","2019","7","12","6638","","10.1039/C9TA00912D","","","0.71073","MoKα","","0.0711","0.069","","","0.1379","0.1578","","","","","","1.012","","","","has coordinates","238463","2020-10-21","18:00:00",""
"7237639","3.685","0.003","14.638","0.01","11.575","0.008","90","","90.32","0.05","90","","624.4","0.8","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H8 N6 O3 -","- H8 N6 O3 -","- H32 N24 O12 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0779","0.0452","","","0.1065","0.1228","","","","","","1.009","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237640","7.835","0.003","6.304","0.002","7.332","0.003","90","","90","","90","","362.1","0.2","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- K N5 -","- K N5 -","- K4 N20 -","4","0.5","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.026","0.0246","","","0.0668","0.0676","","","","","","1.089","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237641","6.2136","0.0013","7.7039","0.0016","8.5102","0.0017","71.562","0.004","87.896","0.004","70.411","0.004","363","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C H8 N10 -","- C H8 N10 -","- C2 H16 N20 -","2","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0444","0.0388","","","0.1151","0.1211","","","","","","1.139","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237642","6.4527","0.0016","12.247","0.003","5.4073","0.0014","90","","97.766","0.006","90","","423.4","0.18","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- H5 N7 -","- H5 N7 -","- H20 N28 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.049","0.0406","","","0.0971","0.1008","","","","","","1.116","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237643","3.6171","0.0011","20.792","0.006","10.069","0.003","90","","97.773","0.006","90","","750.3","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N10 -","- C2 H8 N10 -","- C8 H32 N40 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0729","0.0432","","","0.0954","0.1096","","","","","","0.985","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237644","9.399","0.004","3.9543","0.0019","10.362","0.005","90","","90","","90","","385.1","0.3","150","","150","","","","","","","","","2","P c c a","-P 2a 2ac","54","","","","- H4 N6 -","- H4 N6 -","- H16 N24 -","4","0.5","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0587","0.0497","","","0.1243","0.1354","","","","","","1.072","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237645","5.298","0.002","7.156","0.003","10.106","0.004","100.047","0.008","104.076","0.007","104.089","0.007","349.2","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2 H6 N10 -","- C2 H6 N10 -","- C4 H12 N20 -","2","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0704","0.0488","","","0.1237","0.1319","","","","","","1.015","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237646","8.429","0.005","6.861","0.005","11.434","0.008","90","","98.964","0.012","90","","653.2","0.8","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C H7 N9 -","- C H7 N9 -","- C4 H28 N36 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.1129","0.0674","","","0.1831","0.2283","","","","","","1.055","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237647","8.083","0.003","7.141","0.002","16.094","0.005","90","","101.864","0.007","90","","909.1","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N13 -","- C3 H7 N13 -","- C12 H28 N52 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.1047","0.0572","","","0.1292","0.1507","","","","","","0.987","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7237648","32.798","0.005","8.9632","0.0011","8.6995","0.0012","90","","90","","90","","2557.4","0.6","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C11.96 H31.91 I4 N2 Pb -","- C11.94 H31.88 I4 N2 Pb -","- C47.76 H127.52 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","0.7","MoKα","","0.0968","0.0595","","","0.1472","0.1874","","","","","","1.023","","","","has coordinates,has disorder","238468","2020-10-21","18:00:00",""
"7237649","45.458","0.004","8.9432","0.0008","8.8219","0.0007","90","","98.251","0.006","90","","3549.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H0 I7 N3 Pb2 -","- C13 I7 N3 Pb2 -","- C52 I28 N12 Pb8 -","4","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","0.7","MoKα","","0.145","0.0862","","","0.2221","0.2598","","","","","","1.052","","","","has coordinates","238468","2020-10-21","18:00:00",""
"7237650","28.5014","0.0011","8.8042","0.0004","8.7102","0.0004","90","","91.206","0.004","90","","2185.18","0.16","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 I10 N4 Pb3 -","- C14 H44 I10 N4 Pb3 -","- C28 H88 I20 N8 Pb6 -","2","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","1.54184","CuKα","","0.297","0.2953","","","0.6309","0.635","","","","","","2.844","","","","has coordinates","238468","2020-10-21","18:00:00",""
"7237651","16.9518","0.0009","17.0056","0.0009","30.0349","0.0014","90","","104.113","0.002","90","","8397","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 Cl4 Co4 Mo8 N O24 S8 -","- C45 H57 Cl4 Co4 Mo8 N O24 S8 -","- C180 H228 Cl16 Co16 Mo32 N4 O96 S32 -","4","1","","Zhang, Min; Chen, Mengwei; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Zheng, Zhiping","A bimetallic Co4Mo8 cluster built from Mo8 oxothiomolybdate capped by a Co4-thiacalix[4]arene unit: the observation of the Co‒Mo synergistic effect for binder-free electrocatalysts","Journal of Materials Chemistry A","2019","7","20","12893","","10.1039/C9TA01603A","","","0.71073","MoKα","","0.1102","0.0896","","","0.2467","0.2593","","","","","","1.062","","","","has coordinates","238471","2020-10-21","18:00:00",""
"7237652","9.8591","0.0011","14.9188","0.0015","15.0675","0.0013","112.424","0.009","99.484","0.008","106.304","0.009","1871.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H65 Co2 N11 O17 -","- C73 H65 Co2 N11 O17 -","- C73 H65 Co2 N11 O17 -","1","0.5","","Abazari, Reza; Sanati, Soheila; Morsali, Ali; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron L.; Chen, Wei; Zheng, Anmin","Ultrafast post-synthetic modification of a pillared cobalt(ii)-based metal‒organic framework via sulfurization of its pores for high-performance supercapacitors","Journal of Materials Chemistry A","2019","7","19","11953","","10.1039/C9TA01628G","","x-ray","0.71073","MoKα","","0.175","0.0906","","","0.202","0.2382","","","","","","1.089","","","","has coordinates","238473","2020-10-21","18:00:00",""
"7237653","6.934","0.0002","12.4025","0.0004","15.5088","0.0004","90","","90","","90","","1333.74","0.07","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H2 N8 O2 -","- C3 H2 N8 O2 -","- C24 H16 N64 O16 -","8","2","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0395","0.0298","","","0.0679","0.0719","","","","","","1.032","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237654","7.7496","0.0012","4.9302","0.0008","12.611","0.002","90","","98.872","0.005","90","","476.06","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H4 N12 O3 -","- C3 H4 N12 O3 -","- C6 H8 N24 O6 -","2","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0682","0.0401","","","0.0788","0.0898","","","","","","1.005","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237655","16.224","0.002","5.5034","0.0007","10.7701","0.0013","90","","125.781","0.003","90","","780.13","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0441","0.0366","","","0.0876","0.0922","","","","","","1.045","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237656","5.5258","0.0004","6.7155","0.0005","18.0885","0.0014","90","","90","","90","","671.24","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0356","0.0296","","","0.0726","0.0754","","","","","","1.057","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237657","5.5608","0.0005","18.9684","0.0018","7.5833","0.0007","90","","90.458","0.002","90","","799.86","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H N11 O2 -","- C3 H N11 O2 -","- C12 H4 N44 O8 -","4","2","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0507","0.0437","","","0.1091","0.1123","","","","","","1.091","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237658","4.5887","0.0009","27.262","0.005","26.789","0.005","90","","90","","90","","3351.2","1.1","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","MA2Pb3I8 DMSO complex","","","- C6 H24 I8 N2 O2 Pb3 S2 -","- C6 H25 I8 N2 O2 Pb3 S2 -","- C24 H100 I32 N8 O8 Pb12 S8 -","4","0.5","","Ozaki, Masashi; Ishikura, Yasuhisa; Truong, Minh Anh; Liu, Jiewei; Okada, Iku; Tanabe, Taro; Sekimoto, Shun; Ohtsuki, Tsutomu; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi","Iodine-rich mixed composition perovskites optimised for tin(iv) oxide transport layers: the influence of halide ion ratio, annealing time, and ambient air aging on solar cell performance","Journal of Materials Chemistry A","2019","7","28","16947","","10.1039/C9TA02142F","","","0.71073","MoKa","","0.0364","0.0322","","","0.0763","0.0985","","","","","","1.178","","","","has coordinates,has disorder","238477","2020-10-21","18:00:00",""
"7237659","17.6239","0.0012","18.16","0.0012","20.5219","0.0013","90","","101.767","0.006","90","","6430","0.7","173.15","","173.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H43 B F2 N4 O9 Zn2 -","- C57 H43 B F2 N4 O9 Zn2 -","- C228 H172 B4 F8 N16 O36 Zn8 -","4","0.5","","Yang, Heng; Wang, Jinming; Ma, Ji; Yang, Hong; Zhang, Jing; Lv, Kangle; Wen, Lili; Peng, Tianyou","A novel BODIPY-based MOF photocatalyst for efficient visible-light-driven hydrogen evolution","Journal of Materials Chemistry A","2019","7","17","10439","","10.1039/C9TA02357G","","","0.71076","MoKα","","0.093","0.0506","","","0.1069","0.1212","","","","","","1.033","","","","has coordinates,has disorder","238479","2020-10-21","18:00:00",""
"7237660","9.4885","0.0003","10.1789","0.0003","11.6397","0.0004","85.237","0.002","74.922","0.001","77.744","0.001","1060.29","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H36 Cu N6 O8 -","- C14 H36 Cu N6 O8 -","- C28 H72 Cu2 N12 O16 -","2","1","","Zhao, Yawei; Shen, Junyu; Yu, Ze; Hu, Maowei; Liu, Chong; Fan, Jiandong; Han, Hongxian; Hagfeldt, Anders; Wang, Mei; Sun, Licheng","Fine-tuning the coordination atoms of copper redox mediators: an effective strategy for boosting the photovoltage of dye-sensitized solar cells","Journal of Materials Chemistry A","2019","7","20","12808","","10.1039/C9TA02735A","","","0.71073","MoKα","","0.04","0.0384","","","0.1001","0.1013","","","","","","1.014","","","","has coordinates","238481","2020-10-21","18:00:00",""
"7237661","12.8692","0.0017","14.15","0.0018","10.846","0.0014","90","","90","","90","","1975","0.4","296","2","296","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C10 H21 B2 Cu F8 O S4 -","- C10 H21 B2 Cu F8 O S4 -","- C40 H84 B8 Cu4 F32 O4 S16 -","4","0.5","","Zhao, Yawei; Shen, Junyu; Yu, Ze; Hu, Maowei; Liu, Chong; Fan, Jiandong; Han, Hongxian; Hagfeldt, Anders; Wang, Mei; Sun, Licheng","Fine-tuning the coordination atoms of copper redox mediators: an effective strategy for boosting the photovoltage of dye-sensitized solar cells","Journal of Materials Chemistry A","2019","7","20","12808","","10.1039/C9TA02735A","","","0.71073","MoKα","","0.0436","0.043","","","0.1077","0.1081","","","","","","1.049","","","","has coordinates","238481","2020-10-21","18:00:00",""
"7237662","10.85","0.0007","10.85","0.0007","9.2239","0.0006","90","","90","","90","","1085.86","0.12","100","2","100.15","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C30 H36 N2 Ni2 O8 -","- C30 H36 N2 Ni2 O8 -","- C30 H36 N2 Ni2 O8 -","1","0.0625","","Wang, Xun; Niu, Zheng; Al-Enizi, Abdullah M.; Nafady, Ayman; Wu, Yufang; Aguila, Briana; Verma, Gaurav; Wojtas, Lukasz; Chen, Yu-Sheng; Li, Zhong; Ma, Shengqian","Pore environment engineering in metal‒organic frameworks for efficient ethane/ethylene separation","Journal of Materials Chemistry A","2019","7","22","13585","","10.1039/C9TA02822F","","","0.41328","synchrotron","","0.0465","0.0388","","","0.1203","0.123","","","","","","1.143","","","","has coordinates,has disorder","238483","2020-10-21","18:00:00",""
"7237663","32.9862","0.0002","32.9862","0.0002","32.9862","0.0002","90","","90","","90","","35891.9","0.4","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C48 H28 N4 O16 Zr3 -","- C48 H28 N4 O16 Zr3 -","- C576 H336 N48 O192 Zr36 -","12","0.25","","Guo, Bingbing; Li, Fugang; Wang, Chiming; Zhang, Liangliang; Sun, Daofeng","A rare (3,12)-connected zirconium metal‒organic framework with efficient iodine adsorption capacity and pH sensing","Journal of Materials Chemistry A","2019","7","21","13173","","10.1039/C9TA03126J","","","1.54184","CuKα","","0.1183","0.0857","","","0.23","0.2761","","","","","","1.031","","","","has coordinates,has disorder","238485","2020-10-21","18:00:00",""
"7237664","16.1173","0.0007","16.1173","0.0007","13.9126","0.0007","90","","90","","120","","3129.8","0.2","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C53 H32 N6 O12 -","- C53 H28 N6 O12 -","- C159 H84 N18 O36 -","3","0.25","","Guo, Bingbing; Li, Fugang; Wang, Chiming; Zhang, Liangliang; Sun, Daofeng","A rare (3,12)-connected zirconium metal‒organic framework with efficient iodine adsorption capacity and pH sensing","Journal of Materials Chemistry A","2019","7","21","13173","","10.1039/C9TA03126J","","","1.54184","CuKα","","0.0459","0.0432","","","0.1172","0.1199","","","","","","1.108","","","","has coordinates","238485","2020-10-21","18:00:00",""
"7237665","4.1673","0.0002","25.707","0.002","18.2223","0.0009","90","","90","","90","","1952.1","0.2","106.6","0.2","106.6","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H4 N O6 Pb -","- C9 H4 N O6 Pb -","- C72 H32 N8 O48 Pb8 -","8","1","","Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J.","A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media","Journal of Materials Chemistry A","2019","7","25","15432","","10.1039/C9TA03337H","","","1.54184","CuKα","","0.1134","0.087","","","0.2808","0.3049","","","","","","1.142","","","","has coordinates,has disorder","238487","2020-10-21","18:00:00",""
"7237666","21.728","0.0009","10.3246","0.0004","13.1378","0.0005","90","","98.983","0.004","90","","2911.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 Ni O16 -","- C24 H20 N4 Ni O16 -","- C96 H80 N16 Ni4 O64 -","4","0.5","","Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J.","A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media","Journal of Materials Chemistry A","2019","7","25","15432","","10.1039/C9TA03337H","","","1.54184","CuKα","","0.0551","0.0479","","","0.1426","0.1508","","","","","","1.064","","","","has coordinates","238487","2020-10-21","18:00:00",""
"7237667","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Selective sacrificial metal‒organic frameworks: a highly quantitative colorimetric naked-eye detector for aluminum ions in aqueous solutions","Journal of Materials Chemistry A","2019","7","31","18634","","10.1039/C9TA03647D","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","238489","2020-10-21","18:00:00",""
"7237668","11.545","0.004","10.663","0.003","13.185","0.004","90","","90","","90","","1623.1","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De","High density assembly of energetic molecules under the constraint of defected 2D materials","Journal of Materials Chemistry A","2019","7","30","17806","","10.1039/C9TA03990B","","","0.71073","MoKα","","0.0416","0.0357","","","0.1029","0.1084","","","","","","1.108","","","","has coordinates","238491","2020-10-21","18:00:00",""
"7237669","6.527","0.005","10.926","0.007","7.335","0.005","90","","102.5","0.02","90","","510.7","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N8 O8 -","- C4 H8 N8 O8 -","- C8 H16 N16 O16 -","2","0.5","","Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De","High density assembly of energetic molecules under the constraint of defected 2D materials","Journal of Materials Chemistry A","2019","7","30","17806","","10.1039/C9TA03990B","","","0.71073","MoKα","","0.0434","0.0385","","","0.1013","0.1071","","","","","","1.112","","","","has coordinates","238491","2020-10-21","18:00:00",""
"7237670","17.062","0.006","19.825","0.007","18.808","0.007","90","","90.297","0.005","90","","6362","4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Bi Cu I8 N4 O0.5 -","- C12 H33 Bi Cu I8 N4 O0.5 -","- C96 H264 Bi8 Cu8 I64 N32 O4 -","8","2","","Bi, Le-Yu; Hu, Yue-Qiao; Li, Mu-Qing; Hu, Tian-Li; Zhang, Hao-Lan; Yin, Xing-Tian; Que, Wen-Xiu; Lassoued, Mohamed Saber; Zheng, Yan-Zhen","Two-dimensional lead-free iodide-based hybrid double perovskites: crystal growth, thin-film preparation and photocurrent responses","Journal of Materials Chemistry A","2019","7","34","19662","","10.1039/C9TA04325J","","","0.71073","MoKα","","0.0686","0.0438","","","0.088","0.0974","","","","","","1.027","","","","has coordinates,has disorder","238493","2020-10-21","18:00:00",""
"7237671","8.556","0.006","19.504","0.015","19.181","0.014","90","","93.488","0.011","90","","3195","4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Ag Bi I8 N4 O -","- C12 H34 Ag Bi I8 N4 O -","- C48 H136 Ag4 Bi4 I32 N16 O4 -","4","1","","Bi, Le-Yu; Hu, Yue-Qiao; Li, Mu-Qing; Hu, Tian-Li; Zhang, Hao-Lan; Yin, Xing-Tian; Que, Wen-Xiu; Lassoued, Mohamed Saber; Zheng, Yan-Zhen","Two-dimensional lead-free iodide-based hybrid double perovskites: crystal growth, thin-film preparation and photocurrent responses","Journal of Materials Chemistry A","2019","7","34","19662","","10.1039/C9TA04325J","","","0.71073","MoKα","","0.1455","0.0982","","","0.2395","0.2743","","","","","","1.031","","","","has coordinates","238495","2020-10-21","18:00:00",""
"7237672","14.128","0.007","14.696","0.008","7.415","0.004","90","","98.866","0.014","90","","1521.1","1.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 N6 O5 -","- C4 H7 N6 O5 -","- C32 H56 N48 O40 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0718","0.0535","","","0.1555","0.1903","","","","","","1.121","","","","has coordinates,has disorder","238497","2020-10-21","18:00:00",""
"7237673","12.41","0.002","9.959","0.0019","16.305","0.003","90","","90","","90","","2015.2","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 Cl N6 O8 -","- C4 H7 Cl N6 O8 -","- C32 H56 Cl8 N48 O64 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0685","0.0456","","","0.1001","0.1124","","","","","","1.045","","","","has coordinates","238497","2020-10-21","18:00:00",""
"7237674","11.239","0.003","11.869","0.003","13.511","0.003","90","","90","","90","","1802.3","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N7 O7 -","- C4 H7 N7 O7 -","- C32 H56 N56 O56 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0625","0.0447","","","0.1137","0.1268","","","","","","1.042","","","","has coordinates","238497","2020-10-21","18:00:00",""
"7237675","26.697","0.008","11.981","0.003","22.084","0.004","90","","92.738","0.016","90","","7056","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BIF-95-Co","","","- C43 H36 B2 Co3 N14 O17 -","- C43 H36 B2 Co3 N14 O17 -","- C172 H144 B8 Co12 N56 O68 -","4","0.5","","Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian","Synthesis of boron imidazolate frameworks with cobalt clusters for efficient visible-light driven CO2 reduction","Journal of Materials Chemistry A","2019","7","29","17272","","10.1039/C9TA04842A","","","0.71073","MoKα","","0.1818","0.123","","","0.3277","0.3714","","","","","","1.114","","","","has coordinates","238499","2020-10-21","18:00:00",""
"7237676","6","0.002","7.988","0.003","8.967","0.004","75.72","0.014","76.573","0.014","88.048","0.012","405","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","TKU-1","","- C14 H14 Cu N4 O6 -","- C14 H14 Cu N4 O6 -","- C14 H14 Cu N4 O6 -","1","0.5","","Chang, Cheng-Han; Li, An-Che; Popovs, Ilja; Kaveevivitchai, Watchareeya; Chen, Jeng-Lung; Chou, Kai-Chun; Kuo, Ting-Shen; Chen, Teng-Hao","Elucidating metal and ligand redox activities of a copper-benzoquinoid coordination polymer as the cathode for lithium-ion batteries","Journal of Materials Chemistry A","2019","7","41","23770","","10.1039/C9TA05244E","","","0.71073","MoKα","","0.0255","0.0237","","","0.0595","0.0605","","","","","","1.092","","","","has coordinates","238501","2020-10-21","18:00:00",""
"7237677","22.753","0.003","15.3561","0.0019","24.772","0.003","90","","108.32","0.009","90","","8216.6","1.8","100.15","0","100.15","0","","","","","","","","5","I 1 2/a 1","-I 2ya","15","i-PCM-1","","","- C34 H33 N2 O10.25 P -","- C34.0003 H30.0007 N2.0001 O10.2501 P -","- C272.002 H240.006 N16.0008 O82.0008 P8 -","8","1","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","","0.71073","MoKα","","0.1963","0.1432","","","0.3522","0.3959","","","","","","1.027","","","","has coordinates","238503","2020-10-21","18:00:00",""
"7237678","17.2729","0.0004","17.2729","0.0004","16.1689","0.0006","90","","90","","90","","4824","0.2","100","2","100","2","","","","","","","","5","I -4","I -4","82","PCM-66","","","- C28 H16 In O8 P -","- C28 H16 In O8 P -","- C224 H128 In8 O64 P8 -","8","1","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1147","0.1345","","","","","","1.005","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7237679","29.3448","0.0004","23.6598","0.0004","24.6552","0.0003","90","","90","","90","","17117.9","0.4","100","0.5","100","0.5","","","","","","","","6","I b c a","-I 2b 2c","73","PCM-75","","","- C62 H54 Mg3 N2 O21 P2 -","- C62.068 H46 Mg3 N2 O21 P2 -","- C496.544 H368 Mg24 N16 O168 P16 -","8","0.5","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","","1.54184","CuKα","","0.0778","0.0752","","","0.2355","0.2383","","","","","","1.05","","","","has coordinates,has disorder","238503","2020-10-21","18:00:00",""
"7237680","6.2918","0.0004","15.1309","0.0009","7.2767","0.0004","90","","103.211","0.0006","90","","674.41","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 Cd N2 O S3 -","- C2 Cd N2 O S3 -","- C8 Cd4 N8 O4 S12 -","4","1","","Dong, Dapeng; Yan, Chaoxiong; Huang, Jindou; Lu, Na; Wu, Pengyan; Wang, Jian; Zhang, Zhenyi","An electron-donating strategy to guide the construction of MOF photocatalysts toward co-catalyst-free highly efficient photocatalytic H2 evolution","Journal of Materials Chemistry A","2019","7","42","24180","","10.1039/C9TA06141J","","","0.71073","MoKα","","0.0166","0.0162","","","0.0432","0.0434","","","","","","1.002","","","","has coordinates","238505","2020-10-21","18:00:00",""
"7237681","10.7038","0.001","13.7718","0.0013","7.7097","0.0007","90","","100.76","0.001","90","","1116.51","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 Cd N2 S3 -","- C2 Cd N2 S3 -","- C16 Cd8 N16 S24 -","8","1","","Dong, Dapeng; Yan, Chaoxiong; Huang, Jindou; Lu, Na; Wu, Pengyan; Wang, Jian; Zhang, Zhenyi","An electron-donating strategy to guide the construction of MOF photocatalysts toward co-catalyst-free highly efficient photocatalytic H2 evolution","Journal of Materials Chemistry A","2019","7","42","24180","","10.1039/C9TA06141J","","","0.71073","MoKα","","0.0163","0.0151","","","0.0385","0.0393","","","","","","1.027","","","","has coordinates","238505","2020-10-21","18:00:00",""
"7237682","13.865","0.0004","18.805","0.0005","19.2331","0.0005","61.953","0.003","87.914","0.002","84.292","0.002","4403.5","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C81 H95 B24 N15 Ni2 O4 -","- C81 H95 B24 N15 Ni2 O4 -","- C162 H190 B48 N30 Ni4 O8 -","2","1","","Zhao, Xue; Yao, Chen; Chen, Hao; Fu, Yunfan; Xiang, Changjun; He, Suhang; Zhou, Xiaohai; Zhang, Haibo","In situ nano Au triggered by a metal boron organic polymer: efficient electrochemical N2 fixation to NH3 under ambient conditions","Journal of Materials Chemistry A","2019","7","36","20945","","10.1039/C9TA06573C","","x-ray","1.54184","CuKα","","0.0638","0.0549","","","0.1509","0.1613","","","","","","1.033","","","","has coordinates,has disorder","238507","2020-10-21","18:00:00",""
"7237683","13.657","0.002","15.099","0.003","17.129","0.003","69.483","0.002","71.932","0.002","74.038","0.002","3089.6","0.9","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H54 N14 O12 Zn2 -","- C52 H53 N14 O12 Zn2 -","- C104 H106 N28 O24 Zn4 -","2","1","","Goswami, Ranadip; Mandal, Shyama Charan; Seal, Nilanjan; Pathak, Biswarup; Neogi, Subhadip","Antibiotic-triggered reversible luminescence switching in amine-grafted mixed-linker MOF: exceptional turn-on and ultrafast nanomolar detection of sulfadiazine and adenosine monophosphate with molecular keypad lock functionality","Journal of Materials Chemistry A","2019","7","33","19471","","10.1039/C9TA06632B","","","0.71073","MoKα","","0.0876","0.0652","","","0.178","0.1887","","","","","","1.061","","","","has coordinates","238510","2020-10-21","18:00:00",""
"7237684","18.47","0.02","18.39","0.02","9.311","0.012","90","","98.72","0.015","90","","3126","6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","DUT-8(Ni)-heptane","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C60 H48 N4 Ni4 O16 -","2","0.25","","Ehrling, Sebastian; Senkovska, Irena; Bon, Volodymyr; Evans, Jack D.; Petkov, Petko; Krupskaya, Yulia; Kataev, Vladislav; Wulf, Toshiki; Krylov, Alexander; Vtyurin, Alexander; Krylova, Svetlana; Adichtchev, Sergey; Slyusareva, Evgenia; Weiss, Manfred S.; Büchner, Bernd; Heine, Thomas; Kaskel, Stefan","Crystal size versus paddle wheel deformability: selective gated adsorption transitions of the switchable metal‒organic frameworks DUT-8(Co) and DUT-8(Ni)","Journal of Materials Chemistry A","2019","7","37","21459","","10.1039/C9TA06781G","","","0.71073","MoKα","","0.2037","0.1299","","","0.341","0.3917","","","","","","1.235","","","","has coordinates","238512","2020-10-21","18:00:00",""
"7237685","18.72","0.004","18.34","0.004","9.49","0.0019","90","","101.77","0.03","90","","3189.6","1.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","DUT-8(Co)-heptan","","- C30 H24 Co2 N2 O8 -","- C30 H24 Co2 N2 O8 -","- C60 H48 Co4 N4 O16 -","2","0.25","","Ehrling, Sebastian; Senkovska, Irena; Bon, Volodymyr; Evans, Jack D.; Petkov, Petko; Krupskaya, Yulia; Kataev, Vladislav; Wulf, Toshiki; Krylov, Alexander; Vtyurin, Alexander; Krylova, Svetlana; Adichtchev, Sergey; Slyusareva, Evgenia; Weiss, Manfred S.; Büchner, Bernd; Heine, Thomas; Kaskel, Stefan","Crystal size versus paddle wheel deformability: selective gated adsorption transitions of the switchable metal‒organic frameworks DUT-8(Co) and DUT-8(Ni)","Journal of Materials Chemistry A","2019","7","37","21459","","10.1039/C9TA06781G","","x-ray","0.89495","synchrotron","","0.1012","0.0956","","","0.2724","0.2862","","","","","","1.107","","","","has coordinates","238514","2020-10-21","18:00:00",""
"7237686","19.636","0.002","16.5479","0.0017","28.621","0.003","90","","91.415","0.005","90","","9297.1","1.7","173","2","173.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C86 H66 B2 Cd2 F4 N8 O8 -","- C86 H66 B2 Cd2 F4 N8 O8 -","- C344 H264 B8 Cd8 F16 N32 O32 -","4","1","","Yang, Heng; Zhao, Ming; Zhang, Jing; Ma, Ji; Wu, Pengyan; Liu, Wenlong; Wen, Lili","A noble-metal-free photocatalyst system obtained using BODIPY-based MOFs for highly efficient visible-light-driven H2 evolution","Journal of Materials Chemistry A","2019","7","36","20742","","10.1039/C9TA06989E","","","0.71076","MoKα","","0.1951","0.137","","","0.3291","0.3631","","","","","","1.088","","","","has coordinates","238516","2020-10-21","18:00:00",""
"7237687","34.889","0.002","18.9695","0.0014","28.1751","0.0016","90","","103.243","0.002","90","","18151","2","173","2","173.1","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86 H66 B2 Cd2 F4 N8 O12 S2 -","- C86 H66 B2 Cd2 F4 N8 O12 S2 -","- C688 H528 B16 Cd16 F32 N64 O96 S16 -","8","1","","Yang, Heng; Zhao, Ming; Zhang, Jing; Ma, Ji; Wu, Pengyan; Liu, Wenlong; Wen, Lili","A noble-metal-free photocatalyst system obtained using BODIPY-based MOFs for highly efficient visible-light-driven H2 evolution","Journal of Materials Chemistry A","2019","7","36","20742","","10.1039/C9TA06989E","","","0.71073","MoKα","","0.1599","0.0944","","","0.1906","0.2246","","","","","","1.022","","","","has coordinates","238516","2020-10-21","18:00:00",""
"7237688","39.7902","0.0006","39.7902","0.0006","39.7902","0.0006","90","","90","","90","","62998.2","1.6","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C448 H160 Cu48 N56 O216 -","- C447.998 H159.998 Cu48 N56.0016 O216 -","- C895.997 H319.997 Cu96 N112.003 O432 -","2","0.0104167","","Wu, Xue-Qian; Xie, Yabo; Liu, Jing-Hao; He, Tao; Zhang, Yong-Zheng; Yu, Jiamei; Kong, Xiang-Jing; Li, Jian-Rong","Integrating multiple adsorption sites and tortuous diffusion paths into a metal‒organic framework for C3H4/C3H6 separation","Journal of Materials Chemistry A","2019","7","44","25254","","10.1039/C9TA07278K","","","1.54184","CuKα","","0.1007","0.0815","","","0.2718","0.2876","","","","","","1.042","","","","has coordinates","238518","2020-10-21","18:00:00",""
"7237689","7.984","0.0003","25.0632","0.0007","21.8464","0.0006","90","","91.161","0.003","90","","4370.7","0.2","190","2","190","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Bi2 Cl10 N4 -","- C32 H48 Bi2 Cl10 N4 -","- C128 H192 Bi8 Cl40 N16 -","4","1","","Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou","Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications","Journal of Materials Chemistry A","2019","7","36","20733","","10.1039/C9TA07454F","","x-ray","1.54184","CuKα","","0.0442","0.0332","","","0.0722","0.0781","","","","","","1.018","","","","has coordinates,has disorder","238521","2020-10-21","18:00:00",""
"7237690","14.5891","0.0004","20.4834","0.0004","15.7858","0.0004","90","","113.03","0.003","90","","4341.4","0.2","190","2","190","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi2 I9 N3 -","- C24 H36 Bi2 I9 N3 -","- C96 H144 Bi8 I36 N12 -","4","1","","Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou","Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications","Journal of Materials Chemistry A","2019","7","36","20733","","10.1039/C9TA07454F","","x-ray","0.71073","MoKα","","0.0463","0.034","","","0.0639","0.069","","","","","","1.02","","","","has coordinates","238523","2020-10-21","18:00:00",""
"7237691","14.0039","0.0002","19.5707","0.0002","15.5528","0.0003","90","","115.492","0.002","90","","3847.52","0.12","190","2","190","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi2 Br9 N3 -","- C24 H36 Bi2 Br9 N3 -","- C96 H144 Bi8 Br36 N12 -","4","1","","Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou","Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications","Journal of Materials Chemistry A","2019","7","36","20733","","10.1039/C9TA07454F","","x-ray","1.54184","CuKα","","0.0401","0.0375","","","0.1088","0.1111","","","","","","1.137","","","","has coordinates","238525","2020-10-21","18:00:00",""
"7237692","8.6297","0.0003","15.3157","0.0005","18.4968","0.0006","90","","90","","90","","2444.72","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cl2 Ir N2 O3 Si -","- C20 H35 Cl2 Ir N2 O3 Si -","- C80 H140 Cl8 Ir4 N8 O12 Si4 -","4","1","","Yan, Ning; Detz, Remko J.; Govindarajan, Nitish; Koelewijn, Jacobus M.; Hua, Bin; Li, Peng; Meijer, Evert Jan; Reek, Joost N. H.","Selective surface functionalization generating site-isolated Ir on a MnOx/N-doped carbon composite for robust electrocatalytic water oxidation","Journal of Materials Chemistry A","2019","7","40","23098","","10.1039/C9TA08447A","","","0.71073","MoKα","","0.0143","0.0129","","","0.0306","0.0313","","","","","","1.084","","","","has coordinates","238528","2020-10-21","18:00:00",""
"7237693","35.9998","0.001","35.9998","0.001","7.8373","0.0004","90","","90","","120","","8796.2","0.6","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12.54 H13.94 Ag F5 N4.85 O2.85 S -","- C12.544 H13.936 Ag F5 N4.848 O2.848 S -","- C225.792 H250.848 Ag18 F90 N87.264 O51.264 S18 -","18","1","","Chang, Zhiduo; Lin, Rui-Biao; Ye, Yingxiang; Duan, Chunying; Chen, Banglin","Construction of a thiourea-based metal‒organic framework with open Ag+ sites for the separation of propene/propane mixtures","Journal of Materials Chemistry A","2019","7","44","25567","","10.1039/C9TA08614E","","","0.71073","MoKα","","0.0925","0.0791","","","0.2427","0.2572","","","","","","1.056","","","","has coordinates,has disorder","238530","2020-10-21","18:00:00",""
"7237694","16.13","0.003","14.858","0.004","14.836","0.003","90","","106.804","0.004","90","","3403.8","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl3 N6 O2 -","- C33 H35 Cl3 N6 O2 -","- C132 H140 Cl12 N24 O8 -","4","1","","Ma, Siyue; Qiang, Jiabao; Li, Linyang; Mo, Yan; She, Mengyao; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","An efficient biosensor for monitoring Alzheimer's disease risk factors: modulation and disaggregation of the Aβ aggregation process","Journal of Materials Chemistry B","2019","7","26","4124","","10.1039/C9TB00291J","","","0.71073","MoKα","","0.1983","0.0928","","","0.249","0.3188","","","","","","1.031","","","","has coordinates","238534","2020-10-21","18:00:00",""
"7237695","7.863","0.002","12.769","0.004","16.939","0.005","90","","90","","90","","1700.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 B F2 N2 O -","- C18 H21 B F2 N2 O -","- C72 H84 B4 F8 N8 O4 -","4","1","","Shao, Tao; Liu, Tianyan; Liu, Hui; Zhang, Mingzhu; Shen, Yu; Gao, Awei; Tian, Xiaohe; Zhang, Qiong; Wu, Jieying; Tian, Yupeng","Identification of fatty liver disease at diverse stages using two-photon absorption of triphenylamine-based BODIPY analogues","Journal of Materials Chemistry B","2019","7","23","3704","","10.1039/C9TB00421A","","","0.71073","MoKα","","0.0463","0.0356","","","0.0796","0.0831","","","","","","1.201","","","","has coordinates","238536","2020-10-21","18:00:00",""
"7237696","10.8533","0.0014","11.2855","0.0015","15.709","0.002","101.368","0.002","91.808","0.002","96.518","0.002","1871.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 B F2 N2 O -","- C21 H21 B F2 N2 O -","- C84 H84 B4 F8 N8 O4 -","4","2","","Shao, Tao; Liu, Tianyan; Liu, Hui; Zhang, Mingzhu; Shen, Yu; Gao, Awei; Tian, Xiaohe; Zhang, Qiong; Wu, Jieying; Tian, Yupeng","Identification of fatty liver disease at diverse stages using two-photon absorption of triphenylamine-based BODIPY analogues","Journal of Materials Chemistry B","2019","7","23","3704","","10.1039/C9TB00421A","","","0.71073","MoKα","","0.0763","0.0565","","","0.1632","0.1835","","","","","","1.05","","","","has coordinates","238536","2020-10-21","18:00:00",""
"7237697","18.2037","0.0007","18.807","0.0007","18.1095","0.0006","90","","116.993","0.0019","90","","5524.5","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H56 B Cu N2 P2 -","- C74 H56 B Cu N2 P2 -","- C296 H224 B4 Cu4 N8 P8 -","4","0.5","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.0892","0.049","","","0.1274","0.1559","","","","","","1.005","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237698","12.3597","0.0008","13.5264","0.0009","14.5021","0.0009","80.78","0.003","89.069","0.003","88.363","0.003","2392","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H46 Br2 Cl2 Cu2 N2 P2 -","- C55 H46 Br2 Cl2 Cu2 N2 P2 -","- C110 H92 Br4 Cl4 Cu4 N4 P4 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.0449","0.0291","","","0.0584","0.065","","","","","","1.033","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237699","11.975","0.0007","14.264","0.0009","14.6788","0.0009","79.362","0.003","77.748","0.003","88.708","0.003","2407.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","bis(4-diphenylphosphinophenanthridine)copper(I) hexafluorophosphate","","","- C51 H38 Cl2 Cu F6 N2 P3 -","- C51 H38 Cl2 Cu F6 N2 P3 -","- C102 H76 Cl4 Cu2 F12 N4 P6 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.066","0.0463","","","0.1156","0.1254","","","","","","1.062","","","","has coordinates,has disorder","238538","2020-10-21","18:00:00",""
"7237700","11.749","0.0004","16.2954","0.0006","17.8418","0.0006","66.5173","0.0019","87.826","0.002","88.676","0.002","3130.62","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B0.5 Cu0.5 N P -","- C39 H32 B0.5 Cu0.5 N P -","- C156 H128 B2 Cu2 N4 P4 -","4","2","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.1032","0.0501","","","0.1141","0.14","","","","","","1.062","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237701","13.9292","0.0006","18.462","0.0008","25.8326","0.0012","107.47","0.003","95.171","0.003","107.158","0.003","5937.2","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.5 H61 B Cl Cu N2 P2 -","- C76.5 H61 B Cl Cu N2 P2 -","- C306 H244 B4 Cl4 Cu4 N8 P8 -","4","2","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.15","0.0596","","","0.1157","0.1528","","","","","","1.005","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237702","24.0469","0.0007","9.4323","0.0003","20.6401","0.0006","90","","93.49","0.0016","90","","4672.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H80 Cu2 F12 N4 P6 -","- C104 H80 Cu2 F12 N4 P6 -","- C208 H160 Cu4 F24 N8 P12 -","2","0.25","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.1023","0.054","","","0.0989","0.1144","","","","","","1.012","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237703","27.3393","0.0013","25.0872","0.0011","17.9939","0.0009","90","","128.556","0.001","90","","9651","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C109 H88 Cl2 Cu2 F12 N4 P6 -","- C109 H88 Cl2 Cu2 F12 N4 P6 -","- C436 H352 Cl8 Cu8 F48 N16 P24 -","4","0.5","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.1085","0.058","","","0.1424","0.1706","","","","","","1","","","","has coordinates,has disorder","238538","2020-10-21","18:00:00",""
"7237704","9.4994","0.0003","9.8382","0.0003","16.5464","0.0005","95.704","0.001","102.599","0.001","110.032","0.001","1392.04","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","C-1","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","1","","Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing","Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs","Journal of Materials Chemistry C","2019","7","11","3263","","10.1039/C9TC00051H","","","0.71076","MoKα","","0.1437","0.065","","","0.1265","0.1589","","","","","","1.012","","","","has coordinates","238540","2020-10-21","18:00:00",""
"7237705","4.9686","0.0002","8.1389","0.0004","20.8828","0.001","94.934","0.002","91.571","0.002","98.421","0.002","831.59","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl2 N2 O2 -","- C40 H34 Cl2 N2 O2 -","- C40 H34 Cl2 N2 O2 -","1","0.5","","Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing","Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs","Journal of Materials Chemistry C","2019","7","11","3263","","10.1039/C9TC00051H","","","1.54178","CuKα","","0.096","0.0632","","","0.1467","0.1611","","","","","","1.085","","","","has coordinates","238540","2020-10-21","18:00:00",""
"7237706","9.3582","0.0019","32.856","0.007","9.3637","0.0019","90","","106.42","0.03","90","","2761.7","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","C-2","","- C40 H28 N2 -","- C40 H28 N2 -","- C160 H112 N8 -","4","1","","Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing","Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs","Journal of Materials Chemistry C","2019","7","11","3263","","10.1039/C9TC00051H","","","1.54178","CuKα","","0.095","0.0849","","","0.2413","0.2524","","","","","","1.025","","","","has coordinates","238540","2020-10-21","18:00:00",""
"7237707","7.569","0.0002","9.6729","0.0003","16.0008","0.0005","74.414","0.002","87.622","0.002","77.369","0.002","1100.91","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 S2 -","- C26 H21 N3 S2 -","- C52 H42 N6 S4 -","2","1","","Gong, Junyi; Han, Jinliang; Liu, Qian; Ren, Xiaojie; Wei, Peifa; Yang, Lei; Zhang, Yun; Liu, Jing; Dong, Yongqiang; Wang, Yangang; Song, Xiangzhi; Tang, Ben Zhong","An ideal platform of light-emitting materials from phenothiazine: facile preparation, tunable red/NIR fluorescence, bent geometry-promoted AIE behaviour and selective lipid-droplet (LD) tracking ability","Journal of Materials Chemistry C","2019","7","14","4185","","10.1039/C9TC00143C","","","0.71073","MoKα","","0.1196","0.0864","","","0.2536","0.2899","","","","","","1.012","","","","has coordinates","238542","2020-10-21","18:00:00",""
"7237708","7.3052","0.0005","9.3988","0.0006","15.831","0.0011","88.905","0.005","80.763","0.006","77.057","0.005","1045.45","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","TXDM","","- C54 H42 N2 O2 S2 -","- C54 H42 N2 O2 S2 -","- C54 H42 N2 O2 S2 -","1","0.5","","Mane, Sunil Kumar Baburao; Mu, Yingxiao; Yang, Zhiyong; Ubba, Eethamukkala; Shaishta, Naghma; Chi, Zhenguo","A TADF compound with high-contrast mechano-responsive fluorescence on/off switching for both sequential and combinational logic gates","Journal of Materials Chemistry C","2019","7","12","3522","","10.1039/C9TC00150F","","","1.54184","CuKα","","0.0444","0.0406","","","0.1077","0.1128","","","","","","1.074","","","","has coordinates","238544","2020-10-21","18:00:00",""
"7237709","11.56239","0.00016","10.33576","0.00016","20.3081","0.0003","90","","95.3214","0.0012","90","","2416.48","0.06","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 N4 S -","- C33 H20 N4 S -","- C132 H80 N16 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0446","0.0426","","","0.1137","0.1157","","","","","","1.036","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237710","19.24398","0.00015","21.13245","0.00017","6.19786","0.00005","90","","90","","90","","2520.5","0.03","223","","223","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H22 N4 O S -","- C34 H22 N4 O S -","- C136 H88 N16 O4 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0319","0.0309","","","0.0805","0.0814","","","","","","1.044","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237711","15.39674","0.00012","10.80897","0.00007","17.32088","0.00015","90","","105.426","0.0009","90","","2778.75","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 N4 O S -","- C35 H24 N4 O S -","- C140 H96 N16 O4 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0452","0.0435","","","0.1199","0.1215","","","","","","1.042","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237712","10.20299","0.00016","15.8241","0.0002","16.8045","0.0003","90","","93.1817","0.0015","90","","2708.96","0.07","223","","223","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H19 F3 N4 S -","- C34 H19 F3 N4 S -","- C136 H76 F12 N16 S4 -","4","2","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0646","0.0633","","","0.1774","0.1793","","","","","","1.095","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237713","9.7866","0.0003","16.2397","0.0005","15.7471","0.0005","90","","102.022","0.003","90","","2447.82","0.13","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 F N4 S -","- C33 H19 F N4 S -","- C132 H76 F4 N16 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0428","0.039","","","0.1038","0.1073","","","","","","1.094","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237714","11.6896","0.00007","15.16518","0.0001","16.54421","0.0001","106.715","0.0006","97.5581","0.0005","110.427","0.0006","2542.92","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N4 S -","- C34 H22 N4 S -","- C136 H88 N16 S4 -","4","2","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0487","0.0461","","","0.1273","0.1301","","","","","","1.054","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237715","22.42","0.005","11.633","0.002","13.542","0.003","90","","102.187","0.006","90","","3452.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dibuthylammonium terephtalate terephtalic acid solvate","","- C32 H50 N2 O8 -","- C32 H50 N2 O8 -","- C128 H200 N8 O32 -","4","0.5","","Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell’Amico, Daniela; Armelao, Lidia","Luminescent sequence-dependent materials through a step by step assembly of RE1‒1,4-benzendicarboxylate‒RE2 (REx = Y3+, Eu3+ and Tb3+) architectures on a silica surface","Journal of Materials Chemistry C","2019","7","15","4415","","10.1039/C9TC00181F","","","0.71073","MoKα","","0.0836","0.0589","","","0.1821","0.2078","","","","","","1.013","","","","has coordinates","238550","2020-10-21","18:00:00",""
"7237716","7.656","0.0009","10.0738","0.0011","11.2184","0.0012","112.305","0.001","97.312","0.001","91.868","0.001","790.88","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2g","","- C17 H15 B F2 N2 O2 -","- C17 H15 B F2 N2 O2 -","- C34 H30 B2 F4 N4 O4 -","2","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","","0.71073","MoKα","","0.0483","0.039","","","0.1115","0.1207","","","","","","1.052","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237717","6.474","0.0014","14.018","0.003","21.523","0.005","90","","91.55","0.003","90","","1952.6","0.7","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2h","","- C20 H22 B F2 N3 O -","- C20 H22 B F2 N3 O -","- C80 H88 B4 F8 N12 O4 -","4","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.1356","0.0591","","","0.1236","0.1456","","","","","","1.067","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237718","9.5383","0.0005","17.467","0.0011","10.2653","0.0006","90","","110.54","0.002","90","","1601.53","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2d","","- C16 H16 B F2 N3 O -","- C16 H16 B F2 N3 O -","- C64 H64 B4 F8 N12 O4 -","4","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.0915","0.0518","","","0.1259","0.1525","","","","","","1.019","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237719","14.09","0.004","9.997","0.003","20.654","0.006","90","","100.333","0.008","90","","2862.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2f","","- C16 H13 B F2 N2 O -","- C16 H13 B F2 N2 O -","- C128 H104 B8 F16 N16 O8 -","8","2","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","","0.71073","MoKα","","0.212","0.1725","","","0.3726","0.3908","","","","","","1.085","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237720","8.1278","0.0007","9.0511","0.0007","10.3004","0.0008","82.101","0.003","84.055","0.003","70.628","0.003","706.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3","","- C15 H13 B F2 N2 O2 -","- C15 H13 B F2 N2 O2 -","- C30 H26 B2 F4 N4 O4 -","2","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.0514","0.0435","","","0.1087","0.1165","","","","","","1.07","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237721","7.3547","0.0005","25.1921","0.0015","9.1335","0.0005","90","","106.823","0.002","90","","1619.84","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4e","","- C16 H15 B Br F2 N3 O -","- C16 H15 B Br F2 N3 O -","- C64 H60 B4 Br4 F8 N12 O4 -","4","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.0968","0.0545","","","0.0956","0.1093","","","","","","1.131","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237722","14.574","0.005","8.493","0.003","8.347","0.003","90","","90.753","0.014","90","","1033.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Pb3Br4][C8H14O4]","","- C4 H6 Br3 O2 Pb2 -","- C4 H6 Br3 O2 Pb2 -","- C16 H24 Br12 O8 Pb8 -","4","1","","Yang, Huimin; Yin, Jinlin; Xu, Xiaoxiang; Fei, Honghan","Enhanced intrinsic white-light emission upon near-UV excitation by crystal engineering of cationic lead bromide layered materials","Journal of Materials Chemistry C","2019","7","23","7090","","10.1039/C9TC00329K","","","0.71073","MoKα","","0.111","0.0885","","","0.2395","0.2628","","","","","","1.075","","","","has coordinates","238555","2020-10-21","18:00:00",""
"7237723","34.884","0.005","13.226","0.002","8.9982","0.0015","90","","98.082","0.006","90","","4110.3","1.1","300","2","299.86","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Br3 O7 Pb3 -","- C12 H20 Br3 O7 Pb3 -","- C96 H160 Br24 O56 Pb24 -","8","1","","Yang, Huimin; Yin, Jinlin; Xu, Xiaoxiang; Fei, Honghan","Enhanced intrinsic white-light emission upon near-UV excitation by crystal engineering of cationic lead bromide layered materials","Journal of Materials Chemistry C","2019","7","23","7090","","10.1039/C9TC00329K","","","0.71073","MoKα","","0.1313","0.1149","","","0.2804","0.2882","","","","","","1.112","","","","has coordinates","238555","2020-10-21","18:00:00",""
"7237724","8.1393","0.0003","25.2015","0.0009","10.9881","0.0005","90","","91.088","0.003","90","","2253.5","0.15","150","0.1","149.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H48 Br10 N6 O9 Pb2 -","- C18 H48 Br10 N6 O9 Pb2 -","- C36 H96 Br20 N12 O18 Pb4 -","2","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0684","0.0576","","","0.1458","0.1516","","","","","","1.013","","","","has coordinates","238557","2020-10-21","18:00:00",""
"7237725","8.274","0.005","11.58","0.005","15.717","0.005","71.769","0.005","77.947","0.005","72.105","0.005","1350.5","1.1","150","10","149.9","0.3","","","","","","","","6","P 1","P 1","1","","","","- C20 H64 Br14 N8 O10 Pb3 -","- C20 H64 Br14 N8 O10 Pb3 -","- C20 H64 Br14 N8 O10 Pb3 -","1","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0325","0.0306","","","0.0738","0.0745","","","","","","1.015","","","","has coordinates","238557","2020-10-21","18:00:00",""
"7237726","26.7956","0.0013","8.1729","0.0003","22.9805","0.0011","90","","112.775","0.006","90","","4640.3","0.4","150.01","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H104 Br22 N12 O16 Pb5 -","- C36 H96 Br22 N12 O16 Pb5 -","- C72 H192 Br44 N24 O32 Pb10 -","2","0.5","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0775","0.0499","","","0.11","0.1248","","","","","","0.988","","","","has coordinates,has disorder","238557","2020-10-21","18:00:00",""
"7237727","12.3316","0.0004","8.0863","0.0002","23.0098","0.0007","90","","101.621","0.003","90","","2247.44","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H50 Br10 N6 O7 Pb2 -","- C18 H50 Br10 N6 O7 Pb2 -","- C36 H100 Br20 N12 O14 Pb4 -","2","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0621","0.0599","","","0.1649","0.1686","","","","","","1.004","","","","has coordinates,has disorder","238557","2020-10-21","18:00:00",""
"7237728","10.6652","0.0003","10.8218","0.0004","14.7723","0.0006","89.128","0.003","76.181","0.003","73.418","0.003","1584.2","0.1","100","0.8","100","0.8","","","","","","","","4","P -1","-P 1","2","","TPA-PPI-OH","","- C45 H31 N3 O -","- C45 H31 N3 O -","- C90 H62 N6 O2 -","2","1","","Qiu, Xu; Xu, Yuwei; Wang, Cong; Hanif, Muddasir; Zhou, Jiadong; Zeng, Cheng; Li, Ya; Jiang, Qinglin; Zhao, Ruiyang; Hu, Dehua; Ma, Yuguang","Synergistic effects of hydrogen bonds and the hybridized excited state observed for high-efficiency, deep-blue fluorescent emitters with narrow emission in OLED applications","Journal of Materials Chemistry C","2019","7","18","5461","","10.1039/C9TC00357F","","x-ray","1.54184","CuKα","","0.0377","0.0342","","","0.0862","0.0883","","","","","","1.037","","","","has coordinates","238559","2020-10-21","18:00:00",""
"7237729","9.7201","0.0004","20.7651","0.0007","22.6267","0.0008","87.0396","0.0013","83.6537","0.0013","80.6042","0.0013","4475.4","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","NIPy","","- C113 H87 Cl3 N2 O4 -","- C113 H87 Cl3 N2 O4 -","- C226 H174 Cl6 N4 O8 -","2","1","","Li, Yang; Zhang, Cheng; Li, Zhuang; Gu, Peiyang; Wang, Zilong; Li, Hua; Lu, Jianmei; Zhang, Qichun","Controlled deposition of large-area and highly-ordered thin films: effect of dip-coating-induced morphological evolution on resistive memory performance","Journal of Materials Chemistry C","2019","7","12","3512","","10.1039/C9TC00431A","","","0.71073","MoKα","","0.151","0.0886","","","0.2432","0.2978","","","","","","1.04","","","","has coordinates,has disorder","238561","2020-10-21","18:00:00",""
"7237730","45.967","0.007","18.658","0.003","21.437","0.003","90","","91.993","0.002","90","","18374","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 F6 Ir N5 S2 -","- C51 H40 F6 Ir N5 S2 -","- C816 H640 F96 Ir16 N80 S32 -","16","2","","Lu, Guang-Zhao; Li, Xiaokang; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","Efficient phosphorescent red iridium(iii) complexes containing a four-membered Ir‒S‒C‒S ring backbone and large hindered spacers for high-performance OLEDs","Journal of Materials Chemistry C","2019","7","13","3862","","10.1039/C9TC00440H","","","0.71073","MoKα","","0.0878","0.0454","","","0.1105","0.1388","","","","","","1.059","","","","has coordinates,has disorder","238563","2020-10-21","18:00:00",""
"7237731","8.2104","0.0006","14.8349","0.0011","20.6198","0.0015","74.725","0.001","79.586","0.001","77.399","0.001","2344.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H41 F6 Ir N5 S2 -","- C51 H41 F6 Ir N5 S2 -","- C102 H82 F12 Ir2 N10 S4 -","2","1","","Lu, Guang-Zhao; Li, Xiaokang; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","Efficient phosphorescent red iridium(iii) complexes containing a four-membered Ir‒S‒C‒S ring backbone and large hindered spacers for high-performance OLEDs","Journal of Materials Chemistry C","2019","7","13","3862","","10.1039/C9TC00440H","","","0.71073","MoKα","","0.0572","0.0471","","","0.1154","0.1229","","","","","","1.058","","","","has coordinates,has disorder","238563","2020-10-21","18:00:00",""
"7237732","9.339","0.0002","15.6217","0.0005","33.6709","0.0019","90","","90","","90","","4912.3","0.3","295","2","295","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C91.5 H83.5 Cl2 In3 N5.5 O27.5 -","- C70 H40 Cl2 In3 O20 -","- C140 H80 Cl4 In6 O40 -","2","0.5","","Wu, Zhao-Feng; Tan, Bin; Velasco, Ever; Wang, Hao; Shen, Nan-Nan; Gao, Yu-Jie; Zhang, Xu; Zhu, Kun; Zhang, Guo-Yu; Liu, Yan-Yao; Hei, Xiu-Ze; Huang, Xiao-Ying; Li, Jing","Fluorescent In based MOFs showing “turn on” luminescence towards thiols and acting as a ratiometric fluorescence thermometer","Journal of Materials Chemistry C","2019","7","10","3049","","10.1039/C9TC00463G","","","0.71073","MoKα","","0.0715","0.0632","","","0.1565","0.1599","","","","","","1.012","","","","has coordinates","238566","2020-10-21","18:00:00",""
"7237733","17.542","0.004","18.562","0.004","18.887","0.004","69.85","0.03","89.4","0.03","89.17","0.03","5773","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H33 B F24 Ir N7 -","- C58 H33 B F24 Ir N7 -","- C232 H132 B4 F96 Ir4 N28 -","4","2","","Zhang, Chen; Ma, Dongxin; Liu, Ruihuan; Duan, Lian","High-efficiency blue‒green electroluminescence from sublimable cationic iridium(iii) complexes with a pyrazole-type ligand","Journal of Materials Chemistry C","2019","7","12","3503","","10.1039/C9TC00465C","","","0.71073","MoKα","","0.1179","0.1026","","","0.2821","0.3096","","","","","","1.146","","","","has coordinates","238568","2020-10-21","18:00:00",""
"7237734","24.096","0.005","17.106","0.003","31.46","0.006","90","","95.12","0.03","90","","12916","4","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C131 H80 B2 F48 Ir2 N14 O -","- C131 H80 B2 F48 Ir2 N14 O -","- C524 H320 B8 F192 Ir8 N56 O4 -","4","1","","Zhang, Chen; Ma, Dongxin; Liu, Ruihuan; Duan, Lian","High-efficiency blue‒green electroluminescence from sublimable cationic iridium(iii) complexes with a pyrazole-type ligand","Journal of Materials Chemistry C","2019","7","12","3503","","10.1039/C9TC00465C","","","0.71073","MoKα","","0.1542","0.124","","","0.3081","0.3465","","","","","","1.244","","","","has coordinates","238568","2020-10-21","18:00:00",""
"7237735","7.3108","0.0005","6.7983","0.0005","14.1226","0.0011","90","","91.598","0.002","90","","701.63","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 B F2 N3 O2 -","- C14 H13 B F2 N3 O2 -","- C28 H26 B2 F4 N6 O4 -","2","0.5","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","","0.71073","MoKα","","0.0504","0.0402","","","0.0996","0.1038","","","","","","1.103","","","","has coordinates,has disorder","238570","2020-10-21","18:00:00",""
"7237736","7.2781","0.0012","8.5866","0.0014","13.586","0.002","72.984","0.006","80.919","0.006","72.59","0.006","772.4","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N4 O -","- C15 H17 B F2 N4 O -","- C30 H34 B2 F4 N8 O2 -","2","1","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","x-ray","0.71073","MoKα","","0.1122","0.089","","","0.2168","0.229","","","","","","1.036","","","","has coordinates","238570","2020-10-21","18:00:00",""
"7237737","10.8986","0.0002","11.8661","0.0002","11.1113","0.0002","90","","91.844","0.001","90","","1436.21","0.04","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B F2 N3 O2 -","- C14 H14 B F2 N3 O2 -","- C56 H56 B4 F8 N12 O8 -","4","1","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","x-ray","1.54178","CuKα","","0.0394","0.0351","","","0.0939","0.0973","","","","","","1.061","","","","has coordinates","238570","2020-10-21","18:00:00",""
"7237738","6.7077","0.0002","8.4933","0.0003","14.4139","0.0005","91.87","0.001","102.868","0.001","107.317","0.001","759.93","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N4 O -","- C15 H17 B F2 N4 O -","- C30 H34 B2 F4 N8 O2 -","2","1","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","x-ray","0.71073","MoKα","","0.0595","0.0459","","","0.1259","0.1471","","","","","","1.089","","","","has coordinates","238570","2020-10-21","18:00:00",""
"7237739","13.493","0.0003","18.9594","0.0004","19.969","0.0004","94.38","0.007","99.819","0.007","91.961","0.007","5013.1","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","BPY[Ni(dmit)2]6(CH3CN)3","","- C54 H21 N5 Ni6 S60 -","- C54 H21 N5 Ni6 S60 -","- C108 H42 N10 Ni12 S120 -","2","1","","Naito, Toshio; Karasudani, Tomoaki; Yamamoto, Ryoma; Zhang, Ming Yang; Yamamoto, Takashi","A possibly highly conducting state in an optically excited molecular crystal","Journal of Materials Chemistry C","2019","7","30","9175","","10.1039/C9TC00491B","","","1.54187","CuKα","","0.1421","0.0675","","","0.1304","0.1745","","","","","","0.757","","","","has coordinates","238572","2020-10-21","18:00:00",""
"7237740","13.2763","0.0002","18.8083","0.0003","19.8878","0.0004","94.427","0.007","99.435","0.007","91.988","0.007","4878.62","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","BPY[Ni(dmit)2]6(CH3CN)3","","- C54 H21 N5 Ni6 S60 -","- C54 H21 N5 Ni6 S60 -","- C108 H42 N10 Ni12 S120 -","2","1","","Naito, Toshio; Karasudani, Tomoaki; Yamamoto, Ryoma; Zhang, Ming Yang; Yamamoto, Takashi","A possibly highly conducting state in an optically excited molecular crystal","Journal of Materials Chemistry C","2019","7","30","9175","","10.1039/C9TC00491B","","","1.54187","CuKα","","0.084","0.0566","","","0.1368","0.1515","","","","","","0.659","","","","has coordinates","238572","2020-10-21","18:00:00",""
"7237741","9.0322","0.0001","12.2675","0.0001","25.1471","0.0004","90","","90","","90","","2786.36","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N4 -","- C38 H32 N4 -","- C152 H128 N16 -","4","1","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","x-ray","1.54184","CuKα","","0.0408","0.0357","","","0.09","0.0973","","","","","","1.074","","","","has coordinates","238575","2020-10-21","18:00:00",""
"7237742","9.8488","0.0001","7.4186","0.0001","16.2441","0.0002","90","","104.848","0.001","90","","1147.23","0.02","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H20 N4 O2 -","- C32 H20 N4 O2 -","- C64 H40 N8 O4 -","2","1","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","x-ray","1.54184","CuKα","","0.0325","0.032","","","0.0803","0.081","","","","","","1.067","","","","has coordinates","238575","2020-10-21","18:00:00",""
"7237743","8.1825","0.0001","27.5249","0.0002","12.8511","0.0001","90","","90","","90","","2894.36","0.05","173","2","173.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H20 N4 S2 -","- C32 H20 N4 S2 -","- C128 H80 N16 S8 -","4","0.5","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","","1.54178","CuKα","","0.0422","0.0418","","","0.1086","0.1089","","","","","","1.112","","","","has coordinates","238575","2020-10-21","18:00:00",""
"7237744","9.9748","0.0006","9.6537","0.0006","11.0118","0.0007","90","","108.037","0.007","90","","1008.26","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H16 F4 -","- C26 H16 F4 -","- C52 H32 F8 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","x-ray","0.71073","MoKα","","0.1773","0.1113","","","0.2813","0.3482","","","","","","1.026","","","","has coordinates","238578","2020-10-21","18:00:00",""
"7237745","9.9314","0.0007","9.4452","0.0006","10.8609","0.0008","90","","108.374","0.002","90","","966.86","0.12","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 F -","- C26 H19 F -","- C52 H38 F2 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.0806","0.0551","","","0.1549","0.1783","","","","","","1.04","","","","has coordinates,has disorder","238578","2020-10-21","18:00:00",""
"7237746","9.9332","0.0008","9.5602","0.0008","10.8668","0.0009","90","","108.551","0.003","90","","978.33","0.14","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H18 F2 -","- C26 H18 F2 -","- C52 H36 F4 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.1197","0.0808","","","0.2053","0.2358","","","","","","1.079","","","","has coordinates,has disorder","238578","2020-10-21","18:00:00",""
"7237747","9.8507","0.0006","9.6236","0.0006","10.6312","0.0007","90","","105.74","0.003","90","","970.04","0.11","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 F -","- C26 H19 F -","- C52 H38 F2 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.0902","0.0604","","","0.164","0.1901","","","","","","1.033","","","","has coordinates,has disorder","238578","2020-10-21","18:00:00",""
"7237748","20.4984","0.0012","15.432","0.001","6.0388","0.0004","90","","96.341","0.003","90","","1898.6","0.2","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hexylthieno[5,4-b][1]benzothieno[3,2-b][1]benzothiophene (BTBTT6-syn)","","- C22 H20 S3 -","- C22 H20 S3 -","- C88 H80 S12 -","4","1","","He, Keqiang; Zhou, Shujun; Li, Weili; Tian, Hongkun; Tang, Qingxin; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Five-ring-fused asymmetric thienoacenes for high mobility organic thin-film transistors: the influence of the position of the S atom in the terminal thiophene ring","Journal of Materials Chemistry C","2019","7","12","3656","","10.1039/C9TC00552H","","","1.54178","CuKα","","0.1117","0.0794","","","0.2059","0.219","","","","","","1.027","","","","has coordinates","238580","2020-10-21","18:00:00",""
"7237749","9.7443","0.0006","9.8799","0.0006","40.142","0.003","91.556","0.004","92.432","0.003","106.043","0.003","3707.7","0.4","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","2-hexylthieno[4,5-b][1]benzothieno[3,2-b][1]benzothiophene","","- C22 H20 S3 -","- C22 H20 S3 -","- C176 H160 S24 -","8","4","","He, Keqiang; Zhou, Shujun; Li, Weili; Tian, Hongkun; Tang, Qingxin; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Five-ring-fused asymmetric thienoacenes for high mobility organic thin-film transistors: the influence of the position of the S atom in the terminal thiophene ring","Journal of Materials Chemistry C","2019","7","12","3656","","10.1039/C9TC00552H","","","1.34139","GaKα","","0.1479","0.12","","","0.3622","0.3867","","","","","","1.052","","","","has coordinates","238580","2020-10-21","18:00:00",""
"7237750","8.6611","0.0004","27.0793","0.0014","15.6284","0.0007","90","","93.237","0.004","90","","3659.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H12 Cl4 Mn N6 -","- C2 H8.66667 Cl4 Mn N6 -","- C24 H104 Cl48 Mn12 N72 -","12","3","","Sen, Abhijit; Swain, Diptikanta; Guru Row, Tayur N.; Sundaresan, A.","Unprecedented 30 K hysteresis across switchable dielectric and magnetic properties in a bright luminescent organic‒inorganic halide (CH6N3)2MnCl4","Journal of Materials Chemistry C","2019","7","16","4838","","10.1039/C9TC00663J","","","0.71073","MoKα","","0.0965","0.0597","","","0.1207","0.1454","","","","","","1.029","","","","has coordinates","238582","2020-10-21","18:00:00",""
"7237751","8.6227","0.0005","27.0625","0.00012","15.4303","0.0007","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl4 Mn N6 -","- C2 H12 Cl4 Mn N6 -","- C24 H144 Cl48 Mn12 N72 -","12","3","","Sen, Abhijit; Swain, Diptikanta; Guru Row, Tayur N.; Sundaresan, A.","Unprecedented 30 K hysteresis across switchable dielectric and magnetic properties in a bright luminescent organic‒inorganic halide (CH6N3)2MnCl4","Journal of Materials Chemistry C","2019","7","16","4838","","10.1039/C9TC00663J","","","0.71073","MoKα","","0.0976","0.0753","","","0.1589","0.1812","","","","","","1.038","","","","has coordinates","238582","2020-10-21","18:00:00",""
"7237752","12.9638","0.0008","14.1725","0.001","9.5622","0.0006","77.138","0.002","84.451","0.002","83.336","0.003","1696.64","0.19","190","","190","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N2 O2 S3 -","- C42 H34 N2 O2 S3 -","- C84 H68 N4 O4 S6 -","2","1","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","x-ray","0.71073","MoKα","","0.0947","0.0489","","","0.0981","0.1128","","","","","","1.018","","","","has coordinates,has disorder","238584","2020-10-21","18:00:00",""
"7237753","8.7268","0.0008","13.2586","0.0011","13.8335","0.0012","79.822","0.003","75.146","0.003","73.305","0.003","1472.7","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 N2 O2 S3 -","- C38 H26 N2 O2 S3 -","- C76 H52 N4 O4 S6 -","2","1","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","","0.71073","MoKα","","0.0931","0.046","","","0.0839","0.0981","","","","","","1.014","","","","has coordinates","238584","2020-10-21","18:00:00",""
"7237754","7.6155","0.0019","31.336","0.008","8.892","0.002","90","","108.991","0.005","90","","2006.5","0.8","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C45 H38 Cl3 D N2 O2 S3 -","- C45 H38 Cl3 D N2 O2 S3 -","- C90 H76 Cl6 D2 N4 O4 S6 -","2","0.5","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","","0.6889","synchrotron","","0.106","0.0994","","","0.2634","0.2703","","","","","","1.059","","","","has coordinates,has disorder","238584","2020-10-21","18:00:00",""
"7237755","16.766","0.004","7.6903","0.0019","28.118","0.007","90","","90.899","0.004","90","","3625","1.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 O2 S3 -","- C44 H38 N2 O2 S3 -","- C176 H152 N8 O8 S12 -","4","0.5","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","x-ray","1.54184","CuKα","","0.0625","0.0493","","","0.0988","0.1068","","","","","","1.062","","","","has coordinates,has disorder","238584","2020-10-21","18:00:00",""
"7237756","12.9513","0.001","14.1812","0.0011","18.9798","0.0015","76.632","0.003","83.723","0.003","83.531","0.003","3357.4","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N2 O2 S3 -","- C42 H34 N2 O2 S3 -","- C168 H136 N8 O8 S12 -","4","2","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","x-ray","0.71073","MoKα","","0.0694","0.0433","","","0.1082","0.1207","","","","","","1.028","","","","has coordinates","238584","2020-10-21","18:00:00",""
"7237757","14.6894","0.0004","18.7501","0.0003","19.127","0.0005","107.072","0.001","91.951","0.001","97.9","0.002","4972.8","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 Cl12 N7 O70 Si2 V W18 -","- C124 Cl12 N7 O70 Si2 V W18 -","- C124 Cl12 N7 O70 Si2 V W18 -","1","0.5","","Minato, Takuo; Ohata, Yusuke; Ishii, Kazuyuki; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke","Exploring orientationally aligned anisotropic large spin molecules with unusual long-distance intermolecular ferromagnetic interactions","Journal of Materials Chemistry C","2019","7","41","12918","","10.1039/C9TC00740G","","","0.71069","MoKα","","0.1482","0.0954","","","0.2542","0.2986","","","","","","1.111","","","","has coordinates","238587","2020-10-21","18:00:00",""
"7237758","28.5552","0.0002","22.3557","0.0002","29.638","0.0002","90","","105.071","0.0002","90","","18269.3","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 Mn4 N11 O78 Si2 V W18 -","- C116 Mn4 N11 O78 Si2 V W18 -","- C464 Mn16 N44 O312 Si8 V4 W72 -","4","1","","Minato, Takuo; Ohata, Yusuke; Ishii, Kazuyuki; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke","Exploring orientationally aligned anisotropic large spin molecules with unusual long-distance intermolecular ferromagnetic interactions","Journal of Materials Chemistry C","2019","7","41","12918","","10.1039/C9TC00740G","","","0.71069","MoKα","","0.0655","0.0487","","","0.1312","0.151","","","","","","1.155","","","","has coordinates","238587","2020-10-21","18:00:00",""
"7237759","14.3233","0.0001","20.1223","0.0002","34.2013","0.0004","102.564","0.001","96.635","0.001","93.43","0.001","9520.16","0.17","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Mn4 N7 O70 Si2 V W18 -","- C120 Cl8 Mn4 N7 O70 Si2 V W18 -","- C240 Cl16 Mn8 N14 O140 Si4 V2 W36 -","2","1","","Minato, Takuo; Ohata, Yusuke; Ishii, Kazuyuki; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke","Exploring orientationally aligned anisotropic large spin molecules with unusual long-distance intermolecular ferromagnetic interactions","Journal of Materials Chemistry C","2019","7","41","12918","","10.1039/C9TC00740G","","","0.71069","MoKα","","0.0739","0.0576","","","0.1642","0.1881","","","","","","1.111","","","","has coordinates,has disorder","238587","2020-10-21","18:00:00",""
"7237760","11.7323","0.0002","12.4706","0.0002","14.5534","0.0003","82.239","0.002","71.689","0.002","74.258","0.002","1942.76","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Cl2 F6 N2 P3 Pt -","- C40 H35 Cl2 F6 N2 P3 Pt -","- C80 H70 Cl4 F12 N4 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0256","0.0227","","","0.0468","0.0479","","","","","","1.032","","","","has coordinates,has disorder","238590","2020-10-21","18:00:00",""
"7237761","10.618","0.005","12.761","0.005","15.582","0.005","92.123","0.005","101.549","0.005","105.048","0.005","1988.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H36 Cl F6 N2 P3 Pt -","- C44.5 H36 Cl F6 N2 P3 Pt -","- C89 H72 Cl2 F12 N4 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0389","0.0305","","","0.0651","0.0685","","","","","","1.023","","","","has coordinates","238590","2020-10-21","18:00:00",""
"7237762","10.90247","0.00013","25.5722","0.0004","16.9913","0.0002","90","","94.9749","0.0011","90","","4719.33","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl4 F6 N2 O2 P3 Pt -","- C45 H41 Cl4 F6 N2 O2 P3 Pt -","- C180 H164 Cl16 F24 N8 O8 P12 Pt4 -","4","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0479","0.0376","","","0.0844","0.089","","","","","","1.036","","","","has coordinates,has disorder","238590","2020-10-21","18:00:00",""
"7237763","10.85809","0.00011","13.99284","0.00015","14.07706","0.00019","93.6331","0.001","109.682","0.0011","92.2688","0.0008","2005.58","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 F6 N2 O3 P3 Pt -","- C41 H41 F6 N2 O3 P3 Pt -","- C82 H82 F12 N4 O6 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0178","0.0168","","","0.0385","0.0388","","","","","","1.043","","","","has coordinates","238590","2020-10-21","18:00:00",""
"7237764","10.15395","0.00015","14.1616","0.00019","16.3056","0.0002","70.9422","0.0013","75.4245","0.0013","74.2959","0.0012","2098.82","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 F6 N2 O2 P3 Pt -","- C39 H37 F6 N2 O2 P3 Pt -","- C78 H74 F12 N4 O4 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0265","0.0237","","","0.0575","0.0592","","","","","","1.031","","","","has coordinates","238590","2020-10-21","18:00:00",""
"7237765","5.9123","0.0006","13.2287","0.0013","18.6718","0.0019","90","","98.757","0.004","90","","1443.3","0.3","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","","Walden, Melissa T.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Homoleptic platinum(ii) complexes with pyridyltriazole ligands: excimer-forming phosphorescent emitters for solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","22","6592","","10.1039/C9TC00768G","","x-ray","0.71073","MoKα","","0.079","0.0467","","","0.0942","0.1057","","","","","","1.031","","","","has coordinates","238592","2020-10-21","18:00:00",""
"7237766","6.5952","0.0003","10.7367","0.0005","16.1585","0.0008","88.63","0.0017","83.5014","0.0017","85.8827","0.0017","1133.76","0.09","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H58 N8 Pt -","- C54 H58 N8 Pt -","- C54 H58 N8 Pt -","1","0.5","","Walden, Melissa T.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Homoleptic platinum(ii) complexes with pyridyltriazole ligands: excimer-forming phosphorescent emitters for solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","22","6592","","10.1039/C9TC00768G","","x-ray","0.71073","MoKα","","0.036","0.0343","","","0.072","0.0729","","","","","","1.067","","","","has coordinates,has disorder","238592","2020-10-21","18:00:00",""
"7237767","11.6673","0.0005","5.587","0.0003","21.8713","0.001","90","","101.028","0.0015","90","","1399.36","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N8 Pt -","- C34 H34 N8 Pt -","- C68 H68 N16 Pt2 -","2","0.5","","Walden, Melissa T.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Homoleptic platinum(ii) complexes with pyridyltriazole ligands: excimer-forming phosphorescent emitters for solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","22","6592","","10.1039/C9TC00768G","","x-ray","0.71073","MoKα","","0.0624","0.0377","","","0.0787","0.0847","","","","","","1.161","","","","has coordinates","238592","2020-10-21","18:00:00",""
"7237768","25.6","0.005","15.183","0.003","17.504","0.004","90","","91.36","0.03","90","","6802","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Ir N3 O2 S2 -","- C42 H28 Ir N3 O2 S2 -","- C336 H224 Ir8 N24 O16 S16 -","8","2","","Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas","Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs","Journal of Materials Chemistry C","2019","7","14","4143","","10.1039/C9TC00805E","","","0.62","synchrotron","","0.122","0.0657","","","0.1939","0.2096","","","","","","1.052","","","","has coordinates","238594","2020-10-21","18:00:00",""
"7237769","19.425","0.004","17.305","0.003","22.923","0.01","90","","109.86","0.03","90","","7247","4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H33 Cl2 Ir N3 O2 S2 -","- C43.989 H32.977 Cl1.984 Ir N3 O2 S2 -","- C351.912 H263.816 Cl15.872 Ir8 N24 O16 S16 -","8","1","","Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas","Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs","Journal of Materials Chemistry C","2019","7","14","4143","","10.1039/C9TC00805E","","","0.62","synchrotron","","0.0481","0.0424","","","0.119","0.1221","","","","","","1.08","","","","has coordinates,has disorder","238594","2020-10-21","18:00:00",""
"7237770","20.752","0.001","24.4248","0.0014","29.3054","0.0016","90","","90","","90","","14853.8","1.4","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C34 H36 N5 O13 P3 Zn3 -","- C34 H26 N5 O12 P3 Zn3 -","- C544 H416 N80 O192 P48 Zn48 -","16","0.5","","Ge, Bang-Di; Han, Song-De; Wei, Qi; Li, Jin-Hua; Wang, Guo-Ming","Coordination-driven strategy towards crystalline hybrid photochromic materials via the marriage of a non-photochromic extended dipyridine unit and zincophosphate","Journal of Materials Chemistry C","2019","7","13","3920","","10.1039/C9TC00851A","","","0.71073","MoKα","","0.0719","0.0472","","","0.1356","0.1517","","","","","","0.916","","","","has coordinates,has disorder","238596","2020-10-21","18:00:00",""
"7237771","26.027","0.002","10.6307","0.0009","9.03","0.0007","90","","95.901","0.008","90","","2485.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N O7 P Zn -","- C8 H7 N O5 P Zn -","- C64 H56 N8 O40 P8 Zn8 -","8","1","","Ge, Bang-Di; Han, Song-De; Wei, Qi; Li, Jin-Hua; Wang, Guo-Ming","Coordination-driven strategy towards crystalline hybrid photochromic materials via the marriage of a non-photochromic extended dipyridine unit and zincophosphate","Journal of Materials Chemistry C","2019","7","13","3920","","10.1039/C9TC00851A","","","0.71073","MoKα","","0.0364","0.0295","","","0.0696","0.0717","","","","","","1","","","","has coordinates","238596","2020-10-21","18:00:00",""
"7237772","10.3","0.002","12.51","0.003","19.44","0.004","96.92","0.03","101.63","0.03","109.63","0.03","2262.3","1.1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N O2 -","- C29 H24 F N O2 -","- C116 H96 F4 N4 O8 -","4","2","","Tao, Yi Chen; Wang, Xue Dong; Liao, Liang Sheng","Active whispering-gallery-mode optical microcavity based on self-assembled organic microspheres","Journal of Materials Chemistry C","2019","7","12","3443","","10.1039/C9TC00866G","","","0.71073","MoKα","","0.12","0.1011","","","0.2535","0.2686","","","","","","1.216","","","","has coordinates","238598","2020-10-21","18:00:00",""
"7237773","6.4455","0.0005","11.5324","0.0008","13.9706","0.001","96.465","0.006","93.121","0.006","90.16","0.006","1030.29","0.13","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N4 S -","- C25 H16 N4 S -","- C50 H32 N8 S2 -","2","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.0798","0.0529","","","0.1292","0.1556","","","","","","1.039","","","","has coordinates","238600","2020-10-21","18:00:00",""
"7237774","10.1869","0.0006","13.2164","0.0007","16.2017","0.001","104.63","0.005","105.673","0.006","102.379","0.005","1936.3","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H32 N4 O3 S -","- C49 H32 N4 O3 S -","- C98 H64 N8 O6 S2 -","2","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.1124","0.0656","","","0.168","0.2063","","","","","","1.036","","","","has coordinates,has disorder","238600","2020-10-21","18:00:00",""
"7237775","8.7103","0.0009","9.1725","0.0009","25.594","0.002","90","","97.276","0.009","90","","2028.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 S -","- C24 H16 N2 O2 S -","- C96 H64 N8 O8 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.087","0.0531","","","0.1287","0.1534","","","","","","1.038","","","","has coordinates","238600","2020-10-21","18:00:00",""
"7237776","7.6706","0.0005","13.0303","0.0009","21.6554","0.0011","90","","95.183","0.005","90","","2155.6","0.2","150.1","","150.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 S -","- C26 H22 N4 S -","- C104 H88 N16 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.0729","0.0492","","","0.1186","0.137","","","","","","1.016","","","","has coordinates","238600","2020-10-21","18:00:00",""
"7237777","8.3327","0.0007","9.9524","0.001","23.283","0.002","90","","91.689","0.008","90","","1930","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N3 O S -","- C24 H13 N3 O S -","- C96 H52 N12 O4 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.0961","0.0527","","","0.1291","0.1659","","","","","","1.045","","","","has coordinates","238600","2020-10-21","18:00:00",""
"7237778","11.7169","0.0014","37.416","0.004","8.5164","0.0011","90","","108.75","0.014","90","","3535.4","0.8","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N4 S -","- C46 H30 N4 S -","- C184 H120 N16 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.1105","0.0626","","","0.129","0.1582","","","","","","1.037","","","","has coordinates","238600","2020-10-21","18:00:00",""
"7237779","9.186","0.0004","13.2712","0.0005","32.6386","0.0013","84.348","0.003","88.603","0.003","78.751","0.004","3883.5","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H54 Cl2 N8 O4 S2 -","- C93 H54 Cl2 N8 O4 S2 -","- C186 H108 Cl4 N16 O8 S4 -","2","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.1521","0.0733","","","0.1693","0.2139","","","","","","1.015","","","","has coordinates","238600","2020-10-21","18:00:00",""
"7237780","26.1955","0.0007","11.4152","0.0002","19.6629","0.0004","90","","110.559","0.003","90","","5505.3","0.2","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 N2 O12 -","- C64 H56 N2 O12 -","- C256 H224 N8 O48 -","4","1","","Mora-Fuentes, Juan P.; Cortizo-Lacalle, Diego; Collavini, Silvia; Strutyński, Karol; Tress, Wolfgang R.; Saliba, Michael; Zakeeruddin, Shaik M.; Kosta, Ivet; Melle-Franco, Manuel; Grätzel, Michael; Delgado, Juan Luis; Mateo-Alonso, Aurelio","A partially-planarised hole-transporting quart-p-phenylene for perovskite solar cells","Journal of Materials Chemistry C","2019","7","15","4332","","10.1039/C9TC01076A","","x-ray","1.54184","CuKα","","0.0675","0.0498","","","0.1285","0.1406","","","","","","1.035","","","","has coordinates","238602","2020-10-21","18:00:00",""
"7237781","23.323","0.002","3.8319","0.0003","31.479","0.003","90","","90.288","0.004","90","","2813.3","0.4","149","2","149.25","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Cl N O -","- C19 H12 Cl N O -","- C152 H96 Cl8 N8 O8 -","8","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0751","0.0604","","","0.1146","0.1195","","","","","","1.228","","","","has coordinates","238604","2020-10-21","18:00:00",""
"7237782","9.8015","0.0004","12.0723","0.0006","12.9926","0.0006","71.138","0.002","85.828","0.002","79.452","0.002","1430.08","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cl2 N2 O2 -","- C38 H24 Cl2 N2 O2 -","- C76 H48 Cl4 N4 O4 -","2","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0707","0.0579","","","0.1513","0.1581","","","","","","1.148","","","","has coordinates","238604","2020-10-21","18:00:00",""
"7237783","3.972","0.0003","12.2566","0.0007","16.4309","0.0011","79.392","0.004","86.478","0.004","84.244","0.004","781.52","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O2 -","- C20 H14 Cl N O2 -","- C40 H28 Cl2 N2 O4 -","2","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0804","0.0467","","","0.1008","0.1142","","","","","","1.022","","","","has coordinates","238604","2020-10-21","18:00:00",""
"7237784","10.2664","0.0004","11.4804","0.0004","13.9234","0.0006","106.434","0.002","108.935","0.002","99.36","0.002","1429.08","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cl2 N2 O2 -","- C38 H24 Cl2 N2 O2 -","- C76 H48 Cl4 N4 O4 -","2","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0465","0.0378","","","0.0919","0.0973","","","","","","1.02","","","","has coordinates","238604","2020-10-21","18:00:00",""
"7237785","10.118","0.002","9.1993","0.0018","20.098","0.004","90","","100.49","0.03","90","","1839.4","0.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-2y","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N‒O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.069","0.0466","","","0.1199","0.1289","","","","","","1.057","","","","has coordinates","238606","2020-10-21","18:00:00",""
"7237786","20.1317","0.001","7.478","0.0004","13.4306","0.0006","90","","94.394","0.002","90","","2015.96","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 I N2 O -","- C22 H25 I N2 O -","- C88 H100 I4 N8 O4 -","4","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N‒O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.0576","0.0378","","","0.0777","0.0869","","","","","","1.023","","","","has coordinates","238606","2020-10-21","18:00:00",""
"7237787","9.4276","0.0005","10.1879","0.0005","11.1539","0.0006","111.641","0.001","97.79","0.002","99.874","0.002","957.65","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 I N O2 -","- C21 H22 I N O2 -","- C42 H44 I2 N2 O4 -","2","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N‒O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.0398","0.0318","","","0.0732","0.0789","","","","","","1.015","","","","has coordinates","238606","2020-10-21","18:00:00",""
"7237788","6.4834","0.0013","23.56","0.005","14.458","0.003","90","","100.21","0.03","90","","2173.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 I N3 O3 -","- C22 H24 I N3 O3 -","- C88 H96 I4 N12 O12 -","4","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N‒O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.0405","0.032","","","0.0724","0.0774","","","","","","1.124","","","","has coordinates","238606","2020-10-21","18:00:00",""
"7237789","17.329","0.0006","11.769","0.0007","8.427","0.0013","90","","91.721","0.003","90","","1717.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(mu-2-aminopyridine-3-carboxylato-kO:kO')(mu3-2-aminopyridine-3-carboxylato-kO:k2O,O':kN)(mu-dimethylformamide)strontium(II)]","","- C15 H17 N5 O5 Sr -","- C15 H17 N5 O5 Sr -","- C60 H68 N20 O20 Sr4 -","4","1","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier","Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response","Journal of Materials Chemistry C","2019","7","23","6997","","10.1039/C9TC01300H","","","0.71073","MoKα","","0.0636","0.0458","","","0.1033","0.1119","","","","","","1.062","","","","has coordinates","238608","2020-10-21","18:00:00",""
"7237790","17.335","0.0014","12.919","0.001","7.49","0.0006","90","","91.44","0.003","90","","1676.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[diaquabis(mu-6-aminopyridine-3-carboxylato-k2O,O':kO)calcium(II)]trihydrate}","","- C12 H20 Ca N4 O9 -","- C12 H20 Ca N4 O9 -","- C48 H80 Ca4 N16 O36 -","4","0.5","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier","Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response","Journal of Materials Chemistry C","2019","7","23","6997","","10.1039/C9TC01300H","","","0.71073","MoKα","","0.032","0.0279","","","0.0716","0.0742","","","","","","1.078","","","","has coordinates","238608","2020-10-21","18:00:00",""
"7237791","17.6609","0.001","13.0103","0.0006","7.5971","0.0004","90","","91.478","0.002","90","","1745.03","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[diaquabis(mu-6-aminopyridine-3-carboxylato-k2O,O':kO)strontium(II)]trihydrate}","","- C12 H20 N4 O9 Sr -","- C12 H20 N4 O9 Sr -","- C48 H80 N16 O36 Sr4 -","4","0.5","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier","Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response","Journal of Materials Chemistry C","2019","7","23","6997","","10.1039/C9TC01300H","","","0.71073","MoKα","","0.0362","0.0258","","","0.0569","0.0586","","","","","","1.089","","","","has coordinates","238608","2020-10-21","18:00:00",""
"7237792","7.5972","0.0008","13.9199","0.0014","18.3585","0.0019","100.489","0.002","91.139","0.002","102.556","0.002","1859.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H24 F10 O8 -","- C44 H24 F10 O8 -","- C88 H48 F20 O16 -","2","1","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0606","0.0457","","","0.1206","0.1347","","","","","","1.04","","","","has coordinates","238611","2020-10-21","18:00:00",""
"7237793","5.1931","0.0013","13.104","0.003","28.245","0.007","90","","93.665","0.005","90","","1918.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 F10 O8 -","- C46 H28 F10 O8 -","- C92 H56 F20 O16 -","2","0.5","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0888","0.0651","","","0.1702","0.2108","","","","","","1.059","","","","has coordinates","238611","2020-10-21","18:00:00",""
"7237794","14.591","0.0006","5.8584","0.0002","26.0228","0.0011","90","","101.623","0.001","90","","2178.81","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H22 Cl6 F10 O8 -","- C44 H22 Cl6 F10 O8 -","- C88 H44 Cl12 F20 O16 -","2","0.5","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0711","0.0448","","","0.0952","0.1066","","","","","","1.029","","","","has coordinates","238611","2020-10-21","18:00:00",""
"7237795","13.7988","0.0016","15.4277","0.0018","19.196","0.002","97.224","0.003","97.656","0.002","101.419","0.002","3920.9","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H28 F10 O8 -","- C46 H28 F10 O8 -","- C184 H112 F40 O32 -","4","2","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0596","0.0437","","","0.1174","0.1356","","","","","","1.047","","","","has coordinates","238611","2020-10-21","18:00:00",""
"7237796","22.23","0.03","7.883","0.009","23.37","0.03","90","","94.09","0.05","90","","4085","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 F10 O4 -","- C48 H32 F10 O8 -","- C192 H128 F40 O32 -","4","1","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0395","0.031","","","0.0782","0.0837","","","","","","1.03","","","","has coordinates","238611","2020-10-21","18:00:00",""
"7237797","15.321","0.017","12.734","0.014","13.342","0.016","90","","106","0.02","90","","2502","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C136 H108 N4 O8 -","4","1","","Sun, Hao; Sun, Shan-Shan; Han, Fang-Fang; Ni, Zhong-Hai; Zhang, Ran; Li, Ming-De","A new tetraphenylethene-based Schiff base: two crystalline polymorphs exhibiting totally different photochromic and fluorescence properties","Journal of Materials Chemistry C","2019","7","23","7053","","10.1039/C9TC01312A","","","0.71073","MoKα","","0.1123","0.048","","","0.1014","0.118","","","","","","0.938","","","","has coordinates","238615","2020-10-21","18:00:00",""
"7237798","17.068","0.0009","22.1154","0.0012","6.8408","0.0004","90","","92.044","0.005","90","","2580.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C136 H108 N4 O8 -","4","1","","Sun, Hao; Sun, Shan-Shan; Han, Fang-Fang; Ni, Zhong-Hai; Zhang, Ran; Li, Ming-De","A new tetraphenylethene-based Schiff base: two crystalline polymorphs exhibiting totally different photochromic and fluorescence properties","Journal of Materials Chemistry C","2019","7","23","7053","","10.1039/C9TC01312A","","","0.71073","MoKα","","0.0719","0.05","","","0.1141","0.1231","","","","","","1.008","","","","has coordinates","238615","2020-10-21","18:00:00",""
"7237799","11.097","0.002","11.981","0.002","15.854","0.003","90","","90.23","0.03","90","","2107.8","0.7","173.15","","173.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Liu, Dan; Li, Chenguang; Niu, Shujie; Li, Yang; Hu, Mengxiao; Li, Qingyuan; Zhu, Weigang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A case study of tuning the crystal polymorphs of organic semiconductors towards simultaneously improved light emission and field-effect properties","Journal of Materials Chemistry C","2019","7","20","5925","","10.1039/C9TC01321K","","","0.71073","MoKα","","0.0854","0.075","","","0.1395","0.1453","","","","","","1.209","","","","has coordinates","238618","2020-10-21","18:00:00",""
"7237800","3.9406","0.0001","19.7156","0.0005","30.0106","0.0011","90","","90","","90","","2331.56","0.12","173","2","173.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Liu, Dan; Li, Chenguang; Niu, Shujie; Li, Yang; Hu, Mengxiao; Li, Qingyuan; Zhu, Weigang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A case study of tuning the crystal polymorphs of organic semiconductors towards simultaneously improved light emission and field-effect properties","Journal of Materials Chemistry C","2019","7","20","5925","","10.1039/C9TC01321K","","","0.71073","MoKα","","0.0553","0.0412","","","0.0964","0.1027","","","","","","1.082","","","","has coordinates","238618","2020-10-21","18:00:00",""
"7237801","9.2204","0.0002","14.1323","0.0002","18.1564","0.0003","68.356","0.001","87.731","0.001","72.406","0.001","2089.29","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H75 Cl9 N8 -","- C101 H75 Cl9 N8 -","- C101 H75 Cl9 N8 -","1","0.5","","Zhang, Qing; Sun, Shuaiqiang; Liu, Wei; Leng, Panpan; Lv, Xialei; Wang, Yaxiong; Chen, Hongting; Ye, Shaofeng; Zhuang, Shaoqing; Wang, Lei","Integrating TADF luminogens with AIE characteristics using a novel acridine‒carbazole hybrid as donor for high-performance and low efficiency roll-off OLEDs","Journal of Materials Chemistry C","2019","7","31","9487","","10.1039/C9TC01329F","","","1.54184","CuKα","","0.0573","0.056","","","0.1448","0.1458","","","","","","1.036","","","","has coordinates,has disorder","238620","2020-10-21","18:00:00",""
"7237802","8.6542","0.0001","13.9251","0.0003","15.9263","0.0003","69.557","0.002","78.218","0.001","81.343","0.002","1753.95","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","34AcCz-Trz","34AcCz-Trz","","- C48 H35 N5 -","- C48 H35 N5 -","- C96 H70 N10 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Liu, Wei; Leng, Panpan; Lv, Xialei; Wang, Yaxiong; Chen, Hongting; Ye, Shaofeng; Zhuang, Shaoqing; Wang, Lei","Integrating TADF luminogens with AIE characteristics using a novel acridine‒carbazole hybrid as donor for high-performance and low efficiency roll-off OLEDs","Journal of Materials Chemistry C","2019","7","31","9487","","10.1039/C9TC01329F","","x-ray","1.54184","CuKα","","0.0391","0.0375","","","0.0971","0.0982","","","","","","1.036","","","","has coordinates","238620","2020-10-21","18:00:00",""
"7237803","14.4699","0.0009","8.9409","0.0004","12.7644","0.0009","90","","102.94","0.007","90","","1609.44","0.17","293","2","293.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C60 H92 N12 O12 -","2","0.5","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.0863","0.0597","","","0.1448","0.1672","","","","","","1.039","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237804","10.66","0.0003","10.66","0.0003","24.2225","0.0006","90","","90","","120","","2383.77","0.11","295.84","0.16","295.84","0.16","","","","","","","","5","P 32","P 32","145","","","","- C28 H36 Cl2 N6 O6 -","- C28 H36 Cl2 N6 O6 -","- C84 H108 Cl6 N18 O18 -","3","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0663","0.062","","","0.1633","0.1709","","","","","","1.05","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237805","20.73","0.002","4.899","0.0004","31.185","0.003","90","","107.945","0.011","90","","3013","0.5","293","2","293.15","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C120 H168 N24 O16 -","4","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.0769","0.052","","","0.1142","0.1317","","","","","","1.007","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237806","10.7942","0.0008","11.0971","0.0009","15.1654","0.0009","95.79","0.006","104.335","0.006","114.902","0.008","1552.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cl2 N4 O7 S2 -","- C24 H28 Cl2 N4 O7 S2 -","- C48 H56 Cl4 N8 O14 S4 -","2","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.1539","0.1115","","","0.351","0.3966","","","","","","1.381","","","","has coordinates,has disorder","238623","2020-10-21","18:00:00",""
"7237807","20.776","0.004","4.8989","0.0006","31.193","0.007","90","","108.04","0.02","90","","3018.7","1","293","2","293.15","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C120 H168 N24 O16 -","4","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.0829","0.052","","","0.1225","0.1443","","","","","","1.026","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237808","10.6849","0.0003","17.9849","0.0006","20.2503","0.0005","91.331","0.002","97.757","0.002","93.114","0.003","3848.3","0.19","291.9","0.4","291.9","0.4","","","","","","","","5","P 1","P 1","1","","","","- C22.33 H23 Cl2 N4 O4.33 -","- C22.3333 H23 Cl2 N4 O4.33333 -","- C134 H138 Cl12 N24 O26 -","6","6","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0533","0.0493","","","0.1334","0.1391","","","","","","1.034","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237809","14.7597","0.0004","13.1892","0.0003","25.413","0.0006","90","","94.013","0.002","90","","4935","0.2","290.4","0.4","290.4","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H25.5 Cl2 N4.5 O4.5 -","- C23.5 H25.5 Cl2 N4.5 O4.5 -","- C188 H204 Cl16 N36 O36 -","8","2","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0704","0.0626","","","0.1735","0.1853","","","","","","1.033","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237810","11.502","0.003","18.947","0.004","16.97","0.004","90","","98.42","0.004","90","","3658.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F12 Ir N3 S2 -","- C33 H26 F12 Ir N3 S2 -","- C132 H104 F48 Ir4 N12 S8 -","4","1","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.0555","0.0359","","","0.0862","0.0996","","","","","","1.093","","","","has coordinates","238626","2020-10-21","18:00:00",""
"7237811","17.763","0.002","11.7754","0.0014","17.58","0.002","90","","103.941","0.002","90","","3568.8","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 F12 Ir N5 S2 -","- C31 H24 F12 Ir N5 S2 -","- C124 H96 F48 Ir4 N20 S8 -","4","0.5","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.06","0.0451","","","0.1015","0.1099","","","","","","1.021","","","","has coordinates,has disorder","238626","2020-10-21","18:00:00",""
"7237812","15.709","0.0007","19.7575","0.0009","21.8169","0.0009","90","","90","","90","","6771.3","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H28 F6 Ir N3 S2 -","- C31 H28 F6 Ir N3 S2 -","- C248 H224 F48 Ir8 N24 S16 -","8","1","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.0287","0.0212","","","0.0506","0.0547","","","","","","1.075","","","","has coordinates","238626","2020-10-21","18:00:00",""
"7237813","8.7906","0.0004","9.4467","0.0004","20.6771","0.0009","92.102","0.004","101.38","0.004","94.483","0.004","1675.78","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1-Phenyl-2-(3-(1,2,2-triphenylvinyl)phenyl)-1H-phenanthro [9,10-d]imidazole (mTPI)","mTPI","","- C47 H32 N2 -","- C47 H32 N2 -","- C94 H64 N4 -","2","1","","Zhang, Han; Zeng, Jiajie; Luo, Wenwen; Wu, Haozhong; Zeng, Cheng; Zhang, Kexin; Feng, Weiqiang; Wang, Zhiming; Zhao, Zujin; Tang, Ben Zhong","Synergistic tuning of the optical and electrical performance of AIEgens with a hybridized local and charge-transfer excited state","Journal of Materials Chemistry C","2019","7","21","6359","","10.1039/C9TC01453E","","","0.71073","MoKα","","0.068","0.0444","","","0.1047","0.1149","","","","","","1.022","","","","has coordinates","238628","2020-10-21","18:00:00",""
"7237814","7.8877","0.0005","15.1186","0.0012","4.7885","0.0004","90","","90","","90","","571.03","0.08","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C2 H2 Gd O6 -","- C2 Gd O6 -","- C8 Gd4 O24 -","4","0.25","","Li, Jin-Hua; Liu, Ai-Ju; Ma, Yu-Juan; Han, Song-De; Hu, Ji-Xiang; Wang, Guo-Ming","A large magnetocaloric effect in two hybrid Gd-complexes: the synergy of inorganic and organic ligands towards excellent cryo-magnetic coolants","Journal of Materials Chemistry C","2019","7","21","6352","","10.1039/C9TC01475F","","","0.71073","MoKα","","0.0265","0.0261","","","0.0674","0.0678","","","","","","1.099","","","","has coordinates","238630","2020-10-21","18:00:00",""
"7237815","14.8846","0.0005","31.8944","0.001","11.5391","0.0004","90","","97.384","0.003","90","","5432.6","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 Cl2 N4 O2 S -","- C62 H64 Cl2 N4 O2 S -","- C248 H256 Cl8 N16 O8 S4 -","4","1","","Rajamalli, Pachaiyappan; Chen, Dongyang; Li, Wenbo; Samuel, Ifor D. W.; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Enhanced thermally activated delayed fluorescence through bridge modification in sulfone-based emitters employed in deep blue organic light-emitting diodes","Journal of Materials Chemistry C","2019","7","22","6664","","10.1039/C9TC01498E","","","0.71073","MoKα","","0.1276","0.0623","","","0.1509","0.1757","","","","","","1.033","","","","has coordinates,has disorder","238632","2020-10-21","18:00:00",""
"7237816","21.161","0.003","8.4097","0.001","26.306","0.003","90","","110.612","0.004","90","","4381.7","1","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H30 F6 Ir N4 O2 P S2 -","- C50 H30 F6 Ir N4 O2 P S2 -","- C200 H120 F24 Ir4 N16 O8 P4 S8 -","4","1","","Su, Ning; Yang, Hui-Qing; Shen, Cheng-Zhen; Yan, Zhi-Ping; Chen, Zhao-Xu; Zheng, You-Xuan","Rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for efficient OLEDs","Journal of Materials Chemistry C","2019","7","23","6972","","10.1039/C9TC01564G","","","1.34139","GaKα","","0.0908","0.0698","","","0.1929","0.2095","","","","","","1.116","","","","has coordinates,has disorder","238634","2020-10-21","18:00:00",""
"7237817","14.7129","0.0012","27.748","0.003","18.5982","0.0016","90","","92.283","0.001","90","","7586.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H79 Br2 Cl3 O2 -","- C91 H79 Br2 Cl3 O2 -","- C364 H316 Br8 Cl12 O8 -","4","1","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1872","0.0558","","","0.0898","0.0991","","","","","","1.044","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237818","14.8148","0.0013","15.4447","0.0014","23.368","0.002","75.758","0.002","88.856","0.003","66.329","0.001","4727.7","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H47 Cl3 O2 -","- C55 H47 Cl3 O2 -","- C220 H188 Cl12 O8 -","4","2","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1951","0.0864","","","0.2001","0.2301","","","","","","1.076","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237819","17.9559","0.0015","69.78","0.004","13.5926","0.0012","90","","90","","90","","17031","2","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C107 H89 Cl3 O4 -","- C107 H89 Cl3 O4 -","- C856 H712 Cl24 O32 -","8","0.5","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1088","0.0514","","","0.0893","0.0995","","","","","","1.006","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237820","19.0001","0.0019","7.868","0.0007","27.69","0.003","90","","105.364","0.003","90","","3991.5","0.7","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C52 H41 F O -","- C52 H41 F O -","- C208 H164 F4 O4 -","4","1","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.2571","0.1393","","","0.3505","0.3836","","","","","","1.092","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237821","10.6483","0.0005","13.2218","0.0006","22.2843","0.0009","90","","90","","90","","3137.4","0.2","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl2 N6 O2 -","- C33 H32 Cl2 N6 O2 -","- C132 H128 Cl8 N24 O8 -","4","1","","Sudhakar, Pagidi; Radhakrishnan, T. P.","Stimuli responsive and reversible crystalline‒amorphous transformation in a molecular solid: fluorescence switching and enhanced phosphorescence in the amorphous state","Journal of Materials Chemistry C","2019","7","23","7083","","10.1039/C9TC01600G","","","0.71073","MoKα","","0.107","0.0708","","","0.1875","0.2068","","","","","","1.035","","","","has coordinates","238639","2020-10-21","18:00:00",""
"7237822","9.116","0.002","12.611","0.003","34.215","0.008","90","","90","","90","","3933.4","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3.15 H2.35 N0.24 O0.12 -","- C3.15152 H2.34424 N0.242424 O0.121212 -","- C208 H154.72 N16 O8 -","66","16.5","","Wu, Zheng-Guang; Yan, Zhi-Ping; Luo, Xu-Feng; Yuan, Li; Liang, Wei-Qiu; Wang, Yi; Zheng, You-Xuan; Zuo, Jing-Lin; Pan, Yi","Non-doped and doped circularly polarized organic light-emitting diodes with high performances based on chiral octahydro-binaphthyl delayed fluorescent luminophores","Journal of Materials Chemistry C","2019","7","23","7045","","10.1039/C9TC01632E","","","0.71073","MoKα","","0.1232","0.0716","","","0.1527","0.1813","","","","","","1.021","","","","has coordinates,has disorder","238641","2020-10-21","18:00:00",""
"7237823","9.1408","0.0007","12.6631","0.0009","34.54","0.002","90","","90","","90","","3998","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4.62 H3.41 N0.36 O0.18 -","- C4.62222 H3.41404 N0.355556 O0.177778 -","- C208 H153.632 N16 O8 -","45","11.25","","Wu, Zheng-Guang; Yan, Zhi-Ping; Luo, Xu-Feng; Yuan, Li; Liang, Wei-Qiu; Wang, Yi; Zheng, You-Xuan; Zuo, Jing-Lin; Pan, Yi","Non-doped and doped circularly polarized organic light-emitting diodes with high performances based on chiral octahydro-binaphthyl delayed fluorescent luminophores","Journal of Materials Chemistry C","2019","7","23","7045","","10.1039/C9TC01632E","","","0.71073","MoKα","","0.1405","0.0572","","","0.1216","0.164","","","","","","0.98","","","","has coordinates,has disorder","238641","2020-10-21","18:00:00",""
"7237824","8.0679","0.0002","10.5006","0.0003","14.0399","0.0004","90","","90.802","0.002","90","","1189.31","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 B Cl2 F4 N3 -","- C6 H18 B Cl2 F4 N3 -","- C24 H72 B4 Cl8 F16 N12 -","4","2","","Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang","A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride","Journal of Materials Chemistry C","2019","7","18","5348","","10.1039/C9TC01661A","","","0.71073","MoKα","","0.0354","0.0324","","","0.08","0.0814","","","","","","1","","","","has coordinates","238643","2020-10-21","18:00:00",""
"7237825","8.1276","0.0007","8.1276","0.0007","10.5327","0.0013","90","","90","","120","","602.55","0.1","413","2","413","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H18 B Cl2 F4 N3 -","- C6 H18 B Cl2 F3.9998 N3 -","- C12 H36 B2 Cl4 F7.9996 N6 -","2","0.0833333","","Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang","A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride","Journal of Materials Chemistry C","2019","7","18","5348","","10.1039/C9TC01661A","","","0.71073","MoKα","","0.1203","0.1161","","","0.3897","0.3973","","","","","","1.959","","","","has coordinates","238643","2020-10-21","18:00:00",""
"7237826","10.6101","0.0009","22.3235","0.0015","11.4058","0.0008","90","","98.578","0.002","90","","2671.3","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O -","- C34 H33 N O -","- C136 H132 N4 O4 -","4","1","","Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong","Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism","Journal of Materials Chemistry C","2019","7","23","6932","","10.1039/C9TC01665A","","","0.71073","MoKα","","0.1197","0.0532","","","0.1236","0.1555","","","","","","1.01","","","","has coordinates,has disorder","238645","2020-10-21","18:00:00",""
"7237827","12.9754","0.0019","36.63","0.005","12.4364","0.0018","90","","90","","90","","5910.9","1.5","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C37 H43 N -","- C37 H43 N -","- C296 H344 N8 -","8","1","","Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong","Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism","Journal of Materials Chemistry C","2019","7","23","6932","","10.1039/C9TC01665A","","","0.71073","MoKα","","0.1058","0.0616","","","0.1576","0.1871","","","","","","1.042","","","","has coordinates,has disorder","238645","2020-10-21","18:00:00",""
"7237828","10.4273","0.001","10.629","0.001","15.8336","0.0015","90.857","0.003","94.538","0.003","100.5","0.003","1719.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","TPEPhIC","","- C45 H28 N2 O -","- C45 H28 N2 O -","- C90 H56 N4 O2 -","2","1","","Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang","Donor‒acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites","Journal of Materials Chemistry C","2019","7","29","8888","","10.1039/C9TC01772K","","","0.71073","MoKα","","0.1084","0.0871","","","0.2624","0.2807","","","","","","1.142","","","","has coordinates","238647","2020-10-21","18:00:00",""
"7237829","5.87","0.02","10.236","0.018","25.27","0.05","84.03","0.09","89.02","0.15","73.63","0.17","1449","6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","TPEIC","","- C39 H24 N2 O -","- C39 H24 N2 O -","- C78 H48 N4 O2 -","2","1","","Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang","Donor‒acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites","Journal of Materials Chemistry C","2019","7","29","8888","","10.1039/C9TC01772K","","","1.54178","CuKα","","0.3205","0.3111","","","0.6596","0.6943","","","","","","1.068","","","","has coordinates","238647","2020-10-21","18:00:00",""
"7237830","12.1544","0.0004","8.7132","0.0003","33.3446","0.0011","90","","92.61","0.002","90","","3527.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TPEThIC","","- C44 H28 Cl2 N2 O S -","- C44 H28 Cl2 N2 O S -","- C176 H112 Cl8 N8 O4 S4 -","4","1","","Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang","Donor‒acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites","Journal of Materials Chemistry C","2019","7","29","8888","","10.1039/C9TC01772K","","","1.54178","CuKα","","0.0645","0.0574","","","0.1564","0.163","","","","","","1.019","","","","has coordinates","238647","2020-10-21","18:00:00",""
"7237831","4.9797","0.0004","11.2729","0.0011","27.335","0.003","90","","90","","90","","1534.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N3 O6 Zn -","- C16 H13 N3 O6 Zn -","- C64 H52 N12 O24 Zn4 -","4","1","","Zhang, Yu-Xiao; Li, Bing-Xuan; Lin, Hua; Ma, Zuju; Wu, Xin-Tao; Zhu, Qi-Long","Impressive second harmonic generation response in a novel phase-matchable NLO-active MOF derived from achiral precursors","Journal of Materials Chemistry C","2019","7","21","6217","","10.1039/C9TC01867K","","","0.71073","MoKα","","0.0599","0.0414","","","0.0668","0.0735","","","","","","0.88","","","","has coordinates","238649","2020-10-21","18:00:00",""
"7237832","13.9202","0.0007","8.0462","0.0004","11.373","0.0005","90","","105.687","0.005","90","","1226.38","0.11","290","0.1","290","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O3 S -","- C13 H12 O3 S -","- C52 H48 O12 S4 -","4","1","","Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo","Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules","Journal of Materials Chemistry C","2019","7","27","8250","","10.1039/C9TC01870K","","x-ray","1.54184","CuKα","","0.0585","0.0478","","","0.1526","0.1597","","","","","","1.156","","","","has coordinates","238651","2020-10-21","18:00:00",""
"7237833","7.156","0.0018","7.9129","0.0018","35.708","0.01","90","","91.7","0.02","90","","2021.1","0.9","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O3 S2 -","- C25 H18 O3 S2 -","- C100 H72 O12 S8 -","4","1","","Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo","Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules","Journal of Materials Chemistry C","2019","7","27","8250","","10.1039/C9TC01870K","","","1.54184","CuKα","","0.0362","0.0336","","","0.0882","0.0903","","","","","","1.0544","","","","has coordinates","238652","2020-10-21","18:00:00",""
"7237834","12.0982","0.0002","7.6681","0.0001","11.2418","0.0001","90","","96.734","0.001","90","","1035.71","0.02","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo","Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules","Journal of Materials Chemistry C","2019","7","27","8250","","10.1039/C9TC01870K","","x-ray","1.54184","CuKα","","0.0327","0.0309","","","0.0819","0.0833","","","","","","1.083","","","","has coordinates","238654","2020-10-21","18:00:00",""
"7237835","10.7447","0.0004","7.8796","0.0003","17.5823","0.0008","90","","111.126","0.005","90","","1388.54","0.11","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","piperazinium tetrabromocuprate","","- C4 H12 Br4 Cu N2 -","- C4 H12 Br4 Cu N2 -","- C16 H48 Br16 Cu4 N8 -","4","0.5","","Pan, Bingying; Qiu, Jiaxi; Pan, Binglin; Gong, Xiangnan; Li, Shiyan; Xu, Yuliang; Kong, Xiangmu; Ding, Mingcui; Zhang, Lichun; Feng, Hu","Realization of an excellent two-dimensional Heisenberg ferromagnetic system: the synthesis, structure, and thermodynamic properties of piperazinediium tetrabromocuprate","Journal of Materials Chemistry C","2019","7","29","8813","","10.1039/C9TC01878F","","","0.71073","MoKα","","0.0373","0.0271","","","0.06","0.0641","","","","","","1.076","","","","has coordinates","238657","2020-10-21","18:00:00",""
"7237836","15.764","0.003","11.846","0.002","22.623","0.004","90","","90","","90","","4224.6","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F5 N2 O Pt -","- C24 H13 F5 N2 O Pt -","- C192 H104 F40 N16 O8 Pt8 -","8","1","","Lin, Shengheng; Pan, Honghao; Li, Lin; Liao, Rui; Yu, Shengzhen; Zhao, Qiang; Sun, Huibin; Huang, Wei","AIPE-active platinum(ii) complexes with tunable photophysical properties and their application in constructing thermosensitive probes used for intracellular temperature imaging","Journal of Materials Chemistry C","2019","7","26","7893","","10.1039/C9TC01905G","","","0.71073","MoKα","","0.0519","0.0282","","","0.0649","0.076","","","","","","0.975","","","","has coordinates","238659","2020-10-21","18:00:00",""
"7237837","8.1137","0.0003","9.2703","0.0004","12.045","0.005","90","","91.173","0.009","90","","905.8","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41122","synchrotron","","0.0651","0.0472","","","0.1101","0.1365","","","","","","1.097","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237838","8.0675","0.0004","9.0842","0.0006","11.893","0.006","90","","91.055","0.013","90","","871.5","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0632","0.045","","","0.0994","0.1226","","","","","","1.122","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237839","8.0271","0.0004","8.8885","0.0005","11.722","0.006","90","","90.906","0.012","90","","836.2","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0606","0.043","","","0.0888","0.1113","","","","","","1.128","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237840","8.1133","0.0007","7.9779","0.0006","11.891","0.005","90","","86.024","0.018","90","","767.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.099","0.0399","","","0.0877","0.093","","","","","","0.641","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237841","8.06","0.0006","9.0392","0.0007","11.852","0.009","90","","91.018","0.017","90","","863.4","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0631","0.0454","","","0.0915","0.1153","","","","","","1.136","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237842","8.01346","0.00013","8.80029","0.00017","11.657","0.002","90","","90.821","0.004","90","","821.98","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0616","0.0428","","","0.0883","0.1113","","","","","","1.125","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237843","8.00341","0.00015","8.7348","0.00018","11.602","0.002","90","","90.718","0.004","90","","811.01","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0665","0.0463","","","0.0969","0.1231","","","","","","1.097","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237844","8.0837","0.0005","7.9331","0.0004","11.867","0.003","90","","86.154","0.012","90","","759.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.1348","0.0393","","","0.0711","0.0759","","","","","","0.515","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237845","8.082","0.0004","9.1463","0.0005","11.948","0.006","90","","91.101","0.011","90","","883","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0611","0.0439","","","0.0885","0.1118","","","","","","1.099","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237846","7.9904","0.0002","8.6379","0.0002","11.532","0.003","90","","90.525","0.006","90","","795.9","0.2","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0842","0.0573","","","0.1368","0.1693","","","","","","1.081","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237847","8.0417","0.0003","8.9635","0.0004","11.792","0.005","90","","90.974","0.009","90","","849.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0591","0.0411","","","0.079","0.1011","","","","","","1.114","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237848","8.0529","0.001","7.885","0.001","11.838","0.005","90","","86.22","0.02","90","","750","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.1581","0.043","","","0.0713","0.0794","","","","","","0.588","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237849","8.0012","0.0009","7.8208","0.0008","11.817","0.005","90","","86.37","0.02","90","","738","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.1568","0.0457","","","0.0812","0.0905","","","","","","0.585","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237850","7.8325","0.0003","22.8994","0.0006","18.3031","0.0008","90","","94.994","0.004","90","","3270.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,1'-diethyl-[2,2'-bipyridine]-1,1'-diium)Pb3I8","","- C14 H19 I8 N2 Pb3 -","- C14 H19 I8 N2 Pb3 -","- C56 H76 I32 N8 Pb12 -","4","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng","Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies","Journal of Materials Chemistry C","2019","7","25","7700","","10.1039/C9TC01967G","","","0.71073","MoKα","","0.0597","0.0407","","","0.0817","0.0922","","","","","","1.034","","","","has coordinates","238663","2020-10-21","18:00:00",""
"7237851","17.9449","0.001","19.4236","0.0011","7.8786","0.0003","90","","94.945","0.004","90","","2735.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[CuII(2,2'-bipyridine)2I]2Pb2I6","","- C40 H32 Cu2 I8 N8 Pb2 -","- C40 H32 Cu2 I8 N8 Pb2 -","- C80 H64 Cu4 I16 N16 Pb4 -","2","0.5","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng","Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies","Journal of Materials Chemistry C","2019","7","25","7700","","10.1039/C9TC01967G","","","0.71073","MoKα","","0.072","0.0434","","","0.0828","0.0967","","","","","","1.056","","","","has coordinates","238663","2020-10-21","18:00:00",""
"7237852","12.0083","0.0006","15.9672","0.0008","16.85","0.0009","71.256","0.005","77.764","0.004","68.46","0.005","2829.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Mn(1,10-Phenanthroline)2Cl0.65I0.35]2Pb2I6","","- C48 H32 Cl1.29 I6.71 Mn2 N8 Pb2 -","- C48 H32 Cl1.291 I6.709 Mn2 N8 Pb2 -","- C96 H64 Cl2.582 I13.418 Mn4 N16 Pb4 -","2","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng","Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies","Journal of Materials Chemistry C","2019","7","25","7700","","10.1039/C9TC01967G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0859","0.0915","","","","","","1.075","","","","has coordinates,has disorder","238663","2020-10-21","18:00:00",""
"7237853","10.2585","0.0006","23.583","0.0016","24.708","0.0016","90","","95.358","0.002","90","","5951.4","0.7","260","2","260","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H58 Au Cl P4 Pt S2 -","- C68 H58 Au Cl P4 Pt S2 -","- C272 H232 Au4 Cl4 P16 Pt4 S8 -","4","1","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.051","0.0463","","","0.1256","0.1289","","","","","","1.081","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237854","20.2336","0.0005","19.6969","0.0005","22.1531","0.0005","90","","95.746","0.001","90","","8784.5","0.4","121","2","121","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C85 H78 Au2 Cl8 O8 P6 Pt S2 -","- C85 H78 Au2 Cl8 O8 P6 Pt S2 -","- C340 H312 Au8 Cl32 O32 P24 Pt4 S8 -","4","0.5","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.0585","0.0515","","","0.1304","0.1353","","","","","","1.039","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237855","12.0334","0.0004","13.8958","0.0005","14.5253","0.0005","65.379","0.001","85.407","0.001","73.499","0.001","2115.03","0.13","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H76 Ag2 Cl6 N0 O8 P6 Pt S2 -","- C84 H76 Ag2 Cl6 O8 P6 Pt S2 -","- C84 H76 Ag2 Cl6 O8 P6 Pt S2 -","1","0.5","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.0389","0.0345","","","0.0961","0.1044","","","","","","1.173","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237856","11.6173","0.0008","11.6518","0.0008","24.0238","0.0017","76.323","0.002","87.623","0.003","83.63","0.003","3139.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H60 Cl3 Cu O4 P4 Pt S2 -","- C69 H60 Cl2.98 Cu O4 P4 Pt S2 -","- C138 H120 Cl5.96 Cu2 O8 P8 Pt2 S4 -","2","1","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.0429","0.0383","","","0.0957","0.1017","","","","","","1.084","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237857","11.693","0.003","14.44","0.004","42.027","0.011","92.972","0.008","90.273","0.008","90.059","0.008","7086","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C145 H138 Ag2 Cl4 O10 P8 Pt2 S4 -","- C145 H138 Ag2 Cl4 O10 P8 Pt2 S4 -","- C290 H276 Ag4 Cl8 O20 P16 Pt4 S8 -","2","1","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.1652","0.0885","","","0.1966","0.2392","","","","","","1.028","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237858","16.0797","0.0012","13.1053","0.0011","22.9527","0.0019","90","","91.561","0.003","90","","4835","0.7","285","2","285","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 N4 O2 -","- C57 H54 N4 O2 -","- C228 H216 N16 O8 -","4","1","","Liu, Xuedan; Ma, Chunran; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Schiff base-bridged TPE-rhodamine dyad: facile synthesis, distinct response to shearing and hydrostatic pressure, and sequential multicolored acidichromism","Journal of Materials Chemistry C","2019","7","27","8398","","10.1039/C9TC02113B","","","0.71073","MoKα","","0.1916","0.075","","","0.1705","0.2298","","","","","","0.997","","","","has coordinates","238669","2020-10-21","18:00:00",""
"7237859","24.0937","0.0012","7.9916","0.0004","36.7515","0.0018","90","","99.3094","0.0016","90","","6983.2","0.6","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Cl2 D2 N2 S -","- C43 H34 Cl2 D2 N2 S -","- C344 H272 Cl16 D16 N16 S8 -","8","2","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0769","0.0467","","","0.1024","0.114","","","","","","1.013","","","","has coordinates,has disorder","238671","2020-10-21","18:00:00",""
"7237860","9.8347","0.0004","12.107","0.0005","21.2839","0.0009","83.6588","0.0019","88.476","0.002","74.8909","0.0019","2431.67","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 S -","- C58 H66 N2 S -","- C116 H132 N4 S2 -","2","1","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0842","0.0513","","","0.1233","0.1372","","","","","","1.03","","","","has coordinates,has disorder","238671","2020-10-21","18:00:00",""
"7237861","9.7054","0.0005","12.0521","0.0006","21.3945","0.001","83.6147","0.0019","88.817","0.002","74.1306","0.0018","2392.1","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 S -","- C58 H66 N2 S -","- C116 H132 N4 S2 -","2","1","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0652","0.0444","","","0.1053","0.1145","","","","","","1.027","","","","has coordinates,has disorder","238671","2020-10-21","18:00:00",""
"7237862","12.1029","0.0006","8.02","0.0004","36.8781","0.0019","90","","99.1232","0.0015","90","","3534.3","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Cl2 D2 N2 S -","- C43 H34 Cl2 D2 N2 S -","- C172 H136 Cl8 D8 N8 S4 -","4","1","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0832","0.0495","","","0.1025","0.1158","","","","","","1.042","","","","has coordinates,has disorder","238671","2020-10-21","18:00:00",""
"7237863","13.614","0.004","14.015","0.004","15.677","0.004","81.078","0.012","79.523","0.012","67.633","0.01","2707.9","1.3","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H48 B Cl6 Ir N2 O6 S2 -","- C53 H48 B Cl6 Ir N2 O6 S2 -","- C106 H96 B2 Cl12 Ir2 N4 O12 S4 -","2","1","","Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Wong, Wai-Yeung","Towards high performance solution-processed orange organic light-emitting devices: precisely-adjusting properties of Ir(iii) complexes by reasonably engineering the asymmetric configuration with second functionalized cyclometalating ligands","Journal of Materials Chemistry C","2019","7","29","8836","","10.1039/C9TC02406A","","","0.71073","MoKα","","0.0491","0.0456","","","0.0928","0.0949","","","","","","1.082","","","","has coordinates,has disorder","238673","2020-10-21","18:00:00",""
"7237864","14.218","0.005","21.349","0.007","15.308","0.005","90","","96.21","0.007","90","","4619","3","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 Cl6 Ir N2 O10 S4 -","- C41 H29 Cl6 Ir N2 O10 S4 -","- C164 H116 Cl24 Ir4 N8 O40 S16 -","4","1","","Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Wong, Wai-Yeung","Towards high performance solution-processed orange organic light-emitting devices: precisely-adjusting properties of Ir(iii) complexes by reasonably engineering the asymmetric configuration with second functionalized cyclometalating ligands","Journal of Materials Chemistry C","2019","7","29","8836","","10.1039/C9TC02406A","","","0.71073","MoKα","","0.1018","0.0868","","","0.1341","0.1398","","","","","","1.269","","","","has coordinates,has disorder","238675","2020-10-21","18:00:00",""
"7237865","12.208","0.002","16.603","0.003","20.871","0.004","74.45","0.03","85.57","0.03","87.15","0.03","4061.5","1.4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 F42 Gd N4 O17 -","- C58 H32 Cu2 F42 Gd N4 O17 -","- C116 H64 Cu4 F84 Gd2 N8 O34 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.1731","0.0982","","","0.2292","0.2857","","","","","","1.056","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237866","12.206","0.002","16.503","0.003","20.893","0.004","74.64","0.03","85.46","0.03","87.11","0.03","4043.6","1.4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 F42 Ho N4 O17 -","- C58 H32 Cu2 F42 Ho N4 O17 -","- C116 H64 Cu4 F84 Ho2 N8 O34 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.106","0.0867","","","0.2359","0.2569","","","","","","1.003","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237867","12.1727","0.0002","16.4693","0.0003","20.6836","0.0003","75.1108","0.0014","85.3367","0.0013","86.9439","0.0014","3991.81","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 F42 N4 O17 Tb -","- C58 H32 Cu2 F42 N4 O17 Tb -","- C116 H64 Cu4 F84 N8 O34 Tb2 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.0857","0.0838","","","0.2251","0.2265","","","","","","1.1","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237868","12.222","0.002","16.58","0.003","20.905","0.004","74.6","0.03","85.46","0.03","87.18","0.03","4069.5","1.4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 Dy F42 N4 O17 -","- C58 H32 Cu2 Dy F42 N4 O17 -","- C116 H64 Cu4 Dy2 F84 N8 O34 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.0934","0.0762","","","0.2013","0.2175","","","","","","1","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237869","24.5727","0.0013","11.4734","0.0005","23.3323","0.0011","90","","98.189","0.002","90","","6511.1","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 N2 O2 S2 -","- C68 H44 N2 O2 S2 -","- C272 H176 N8 O8 S8 -","4","0.5","","Ma, Fulong; Cheng, Yu; Zheng, Yu; Ji, Hefang; Hasrat, Kamran; Qi, Zhengjian","Rational design of thermally activated delayed fluorescence emitters with aggregation-induced emission employing combined charge transfer pathways for fabricating efficient non-doped OLEDs","Journal of Materials Chemistry C","2019","7","30","9413","","10.1039/C9TC02467K","","","1.34139","GaKα","","0.0778","0.0493","","","0.1309","0.1463","","","","","","1.046","","","","has coordinates","238679","2020-10-21","18:00:00",""
"7237870","5.9066","0.0004","7.9984","0.0005","20.6824","0.0012","90","","93.912","0.002","90","","974.83","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N Se -","- C12 H9 N Se -","- C48 H36 N4 Se4 -","4","1","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0571","0.0333","","","0.0647","0.0696","","","","","","1.035","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7237871","7.9","0.0008","20.937","0.002","5.8824","0.0006","90","","90","","90","","972.96","0.17","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0692","0.0442","","","0.1117","0.1258","","","","","","1.066","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7237872","5.8254","0.0011","7.7897","0.0014","20.803","0.004","90","","94.929","0.005","90","","940.5","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","1","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0735","0.0581","","","0.1322","0.138","","","","","","1.096","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7237873","13.4469","0.0009","19.0511","0.0011","9.613","0.0006","90","","96.035","0.002","90","","2449","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 Se -","- C33 H22 N4 Se -","- C132 H88 N16 Se4 -","4","1","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0606","0.0372","","","0.0741","0.0811","","","","","","1.026","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7237874","7.8739","0.0008","20.921","0.002","5.8718","0.0006","90","","90","","90","","967.26","0.17","250","2","250","","","","","","","","","4","P n m a","-P 2ac 2n","62","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0628","0.0442","","","0.1054","0.1146","","","","","","1.076","","","","has coordinates","238681","2020-10-21","18:00:00",""
"7237875","7.3705","0.0006","11.0005","0.0012","12.0029","0.0013","109.13","0.01","106.773","0.008","90.454","0.008","874.66","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0733","0.0578","","","0.1525","0.1729","","","","","","1.067","","","","has coordinates","238683","2020-10-21","18:00:00",""
"7237876","7.3417","0.0004","11.3589","0.0007","12.1244","0.0007","109.165","0.005","106.484","0.005","91.817","0.005","907.06","0.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0537","0.0387","","","0.0988","0.1115","","","","","","1.019","","","","has coordinates","238684","2020-10-21","18:00:00",""
"7237877","7.2393","0.0005","10.9716","0.0009","11.9913","0.0011","70.492","0.008","72.988","0.007","88.835","0.006","855.3","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0626","0.0546","","","0.147","0.1603","","","","","","1.046","","","","has coordinates","238686","2020-10-21","18:00:00",""
"7237878","16.436","0.0004","7.7419","0.0001","16.8951","0.0004","90","","98.106","0.002","90","","2128.35","0.08","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O8 S2 -","- C46 H48 N4 O8 S2 -","- C92 H96 N8 O16 S4 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0441","0.0381","","","0.1092","0.1184","","","","","","0.913","","","","has coordinates","238687","2020-10-21","18:00:00",""
"7237879","6.5951","0.0007","12.5932","0.0013","13.1549","0.0016","116.795","0.011","95.657","0.009","102.311","0.009","928.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0604","0.0424","","","0.1187","0.1346","","","","","","1.01","","","","has coordinates","238692","2020-10-21","18:00:00",""
"7237880","9.5614","0.0007","10.9763","0.0009","11.7461","0.0007","75.295","0.006","67.456","0.006","84.613","0.007","1101.24","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0774","0.0588","","","0.1687","0.1881","","","","","","1.05","","","","has coordinates","238693","2020-10-21","18:00:00",""
"7237881","6.0824","0.0004","7.139","0.0007","13.6977","0.0015","89.603","0.008","77.345","0.008","82.266","0.007","574.9","0.09","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.053","0.0453","","","0.1272","0.1377","","","","","","0.989","","","","has coordinates","238695","2020-10-21","18:00:00",""
"7237882","6.1699","0.0004","7.2595","0.0005","13.6139","0.0008","89.162","0.005","79.508","0.005","80.71","0.005","591.64","0.07","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0492","0.0381","","","0.1","0.1098","","","","","","1.036","","","","has coordinates","238697","2020-10-21","18:00:00",""
"7237883","9.5466","0.0005","10.9106","0.0005","11.4827","0.0005","75.419","0.004","67.639","0.005","84.29","0.004","1070.46","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0463","0.0406","","","0.104","0.1088","","","","","","1.048","","","","has coordinates","238699","2020-10-21","18:00:00",""
"7237884","16.5791","0.0007","7.7313","0.0003","17.2465","0.0008","90","","99.073","0.004","90","","2182.96","0.16","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O8 S2 -","- C46 H48 N4 O8 S2 -","- C92 H96 N8 O16 S4 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0588","0.0434","","","0.1153","0.1314","","","","","","1.045","","","","has coordinates","238701","2020-10-21","18:00:00",""
"7237885","5.9103","0.0005","18.358","0.002","17.0558","0.0019","90","","92.591","0.009","90","","1848.7","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 F6 N4 O4 -","- C44 H30 F6 N4 O4 -","- C88 H60 F12 N8 O8 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1866","0.0732","","","0.1495","0.2228","","","","","","1.007","","","","has coordinates","238703","2020-10-21","18:00:00",""
"7237886","5.8781","0.0005","18.3134","0.0019","17.3997","0.0018","90","","93.672","0.009","90","","1869.2","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 F6 N4 O4 -","- C44 H30 F6 N4 O4 -","- C88 H60 F12 N8 O8 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1791","0.0619","","","0.1164","0.1645","","","","","","0.992","","","","has coordinates","238704","2020-10-21","18:00:00",""
"7237887","7.6993","0.0004","11.1583","0.0009","11.539","0.001","89.783","0.007","85.718","0.006","84.804","0.005","984.49","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 O8 S2 -","- C44 H44 N4 O8 S2 -","- C44 H44 N4 O8 S2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0832","0.0543","","","0.1305","0.1547","","","","","","1.085","","","","has coordinates","238706","2020-10-21","18:00:00",""
"7237888","13.6508","0.0015","13.678","0.001","13.714","0.0013","80.163","0.007","74.923","0.009","71.683","0.008","2336.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C103 H56 Cl2 F30 N8 O12 -","- C103 H56 Cl2 F30 N8 O12 -","- C103 H56 Cl2 F30 N8 O12 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1199","0.063","","","0.1809","0.2146","","","","","","1.062","","","","has coordinates,has disorder","238707","2020-10-21","18:00:00",""
"7237889","6.5494","0.0003","12.4521","0.0007","12.9443","0.0008","112.739","0.006","101.751","0.005","102.668","0.004","899.79","0.11","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0539","0.0404","","","0.1071","0.1186","","","","","","1.023","","","","has coordinates","238709","2020-10-21","18:00:00",""
"7237890","8.8912","0.0005","9.5438","0.0006","10.6502","0.0007","93.787","0.005","91.373","0.005","112.63","0.006","831.13","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0694","0.0414","","","0.0898","0.103","","","","","","0.999","","","","has coordinates","238711","2020-10-21","18:00:00",""
"7237891","8.9338","0.0007","9.693","0.0008","10.7136","0.0008","93.146","0.006","90.933","0.006","112.034","0.007","858.01","0.12","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1062","0.051","","","0.1114","0.142","","","","","","1.006","","","","has coordinates","238712","2020-10-21","18:00:00",""
"7237892","7.1878","0.0005","11.3276","0.0009","12.0753","0.0008","109.633","0.007","106.637","0.006","90.162","0.006","881.9","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0416","0.0346","","","0.0935","0.1006","","","","","","0.987","","","","has coordinates","238714","2020-10-21","18:00:00",""
"7237893","24.062","0.002","6.2048","0.0007","27.631","0.003","90","","90","","90","","4125.3","0.7","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H40 Cl4 N4 O4 -","- C46 H40 Cl4 N4 O4 -","- C184 H160 Cl16 N16 O16 -","4","1","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0825","0.0732","","","0.1982","0.2046","","","","","","1.139","","","","has coordinates","238716","2020-10-21","18:00:00",""
"7237894","11.5479","0.0006","12.0028","0.0007","19.1221","0.0009","97.337","0.004","101.2","0.004","107.491","0.005","2430.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","oTPA-DPPZ","4,4'-(dipyrido[3,2-a:2',3'-c]phenazine-11,12-diyl)bis(N,N-diphenylaniline)","","- C54 H36 N6 -","- C54 H36 N6 -","- C108 H72 N12 -","2","1","","Wang, Huiqin; Zhao, Bingjie; Ma, Peng; Li, Zhe; Wang, Xinyu; Zhao, Chenxi; Fan, Xiatao; Tao, Lilin; Duan, Chunbo; Zhang, Jing; Han, Chunmiao; Chen, Guanying; Xu, Hui","A red thermally activated delayed fluorescence emitter employing dipyridophenazine with a gradient multi-inductive effect to improve radiation efficiency","Journal of Materials Chemistry C","2019","7","25","7525","","10.1039/C9TC02557J","","","0.71073","MoKα","","0.3489","0.2625","","","0.6066","0.6488","","","","","","2.017","","","","has coordinates","238718","2020-10-21","18:00:00",""
"7237895","8.6951","0.0004","7.597","0.0003","38.1721","0.0018","90","","90.378","0.004","90","","2521.47","0.19","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 N3 O -","- C36 H23 N3 O -","- C144 H92 N12 O4 -","4","1","","Huang, Bin; Jiang, Dawei; Feng, Yan; Chen, Wen-Cheng; Zhang, Ying; Cao, Chen; Shen, Dong; Ji, Yigang; Wang, Chen; Lee, Chun-Sing","Mechanochromic luminescence and color-tunable light-emitting devices of triphenylamine functionalized benzo[d,e]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one","Journal of Materials Chemistry C","2019","7","32","9808","","10.1039/C9TC02592H","","","1.54178","CuKα","","0.0869","0.0696","","","0.1802","0.1931","","","","","","1.053","","","","has coordinates","238720","2020-10-21","18:00:00",""
"7237896","17.621","0.003","21.874","0.003","25.8","0.004","90","","105.875","0.004","90","","9565","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H104 N26 O28 Zn -","- C100 H88 N26 O28 Zn -","- C400 H352 N104 O112 Zn4 -","4","0.5","","Sun, Jiupeng; Guo, Pengpeng; Liu, Mei; Li, Hui","A novel cucurbit[6]uril-based supramolecular coordination assembly as a multi-responsive luminescent sensor for Fe3+, Cr2O72− and isoquinoline antibiotics in aqueous medium","Journal of Materials Chemistry C","2019","7","29","8992","","10.1039/C9TC02666E","","","0.71073","MoKα","","0.0933","0.0795","","","0.1923","0.2034","","","","","","1.028","","","","has coordinates,has disorder","238722","2020-10-21","18:00:00",""
"7237897","18.3753","0.001","5.8406","0.0003","21.3396","0.0019","90","","92.947","0.002","90","","2287.2","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,13-Dibromo-5-methoxy-8,8,18,18-tetramethylbacteriochlorin","","- C25 H26 Br2 N4 O -","- C25 H26 Br2 N4 O -","- C100 H104 Br8 N16 O4 -","4","0.5","","Ponsot, Flavien; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Mondal, Pritam; Devillers, Charles H.; Romieu, Anthony; Gros, Claude P.; Singhal, Rahul; Sharma, Ganesh D.","A bacteriochlorin-diketopyrrolopyrrole triad as a donor for solution-processed bulk heterojunction organic solar cells","Journal of Materials Chemistry C","2019","7","31","9655","","10.1039/C9TC02724F","","x-ray","0.71073","MoKα","","0.0423","0.0302","","","0.0682","0.0729","","","","","","1.015","","","","has coordinates,has disorder","238724","2020-10-21","18:00:00",""
"7237898","15.4617","0.0013","13.972","0.0008","11.5956","0.0015","90","","100.466","0.008","90","","2463.3","0.4","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 -","- C30 H34 N2 -","- C120 H136 N8 -","4","1","","Kukhta, Nadzeya A.; Higginbotham, Heather F.; Matulaitis, Tomas; Danos, Andrew; Bismillah, Aisha N.; Haase, Nils; Etherington, Marc K.; Yufit, Dmitry S.; McGonigal, Paul R.; Gražulevičius, Juozas Vidas; Monkman, Andrew P.","Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","30","9184","","10.1039/C9TC02742D","","x-ray","0.71073","MoKα","","0.2091","0.0793","","","0.1285","0.1791","","","","","","0.955","","","","has coordinates","238727","2020-10-21","18:00:00",""
"7237899","18.26","0.01","5.891","0.003","23.197","0.012","90","","94.999","0.012","90","","2486","2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 -","- C30 H34 N2 -","- C120 H136 N8 -","4","1","","Kukhta, Nadzeya A.; Higginbotham, Heather F.; Matulaitis, Tomas; Danos, Andrew; Bismillah, Aisha N.; Haase, Nils; Etherington, Marc K.; Yufit, Dmitry S.; McGonigal, Paul R.; Gražulevičius, Juozas Vidas; Monkman, Andrew P.","Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","30","9184","","10.1039/C9TC02742D","","x-ray","0.71073","MoKα","","0.2594","0.0854","","","0.1441","0.1961","","","","","","0.903","","","","has coordinates","238727","2020-10-21","18:00:00",""
"7237900","10.5606","0.001","13.2594","0.0012","17.6725","0.0016","90","","98.27","0.004","90","","2448.9","0.4","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 -","- C30 H34 N2 -","- C120 H136 N8 -","4","1","","Kukhta, Nadzeya A.; Higginbotham, Heather F.; Matulaitis, Tomas; Danos, Andrew; Bismillah, Aisha N.; Haase, Nils; Etherington, Marc K.; Yufit, Dmitry S.; McGonigal, Paul R.; Gražulevičius, Juozas Vidas; Monkman, Andrew P.","Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","30","9184","","10.1039/C9TC02742D","","x-ray","0.71073","MoKα","","0.0729","0.047","","","0.1112","0.124","","","","","","1.023","","","","has coordinates","238727","2020-10-21","18:00:00",""
"7237901","10.9309","0.0008","12.5803","0.0008","17.3146","0.0013","70.062","0.006","75.532","0.006","78.116","0.006","2148.2","0.3","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H38 N4 -","- C58 H38 N4 -","- C116 H76 N8 -","2","1","","Guo, Jiali; Pan, Lingxiang; Song, Bo; Gu, Jiabao; Zeng, Jiajie; Xu, Xiaotian; Wu, Haozhong; Zhao, Zujin; Wang, Zhiming; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine decorated 1,3-di(9H-carbazol-9-yl)benzene (mCP): a new AIE-active host with enhanced performance in organic light-emitting diodes","Journal of Materials Chemistry C","2019","7","36","11160","","10.1039/C9TC02748C","","","0.71073","MoKα","","0.0837","0.0507","","","0.1085","0.1325","","","","","","1.043","","","","has coordinates","238729","2020-10-21","18:00:00",""
"7237902","38.99","0.002","21.8182","0.0014","21.818","","90","","124.03","","90","","15381.8","1.3","173","2","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 Cd2 N12 O8 -","- C38 Cd2 N12 O8 -","- C304 Cd16 N96 O64 -","8","1","","Yousaf, Afifa; Arif, Ali Muhammad; Xu, Na; Zhou, Jie; Sun, Chun-Yi; Wang, Xin-Long; Su, Zhong-Min","A triazine-functionalized nanoporous metal‒organic framework for the selective adsorption and chromatographic separation of transition metal ions and cationic dyes and white-light emission by Ln3+ ion encapsulation","Journal of Materials Chemistry C","2019","7","29","8861","","10.1039/C9TC02786F","","","0.71073","MoKα","","0.2445","0.1624","","","0.4623","0.4935","","","","","","1.519","","","","has coordinates,has disorder","238730","2020-10-21","18:00:00",""
"7237903","7.8653","0.0002","10.1875","0.0003","15.2306","0.0004","77.871","0.002","89.802","0.002","87.62","0.002","1192.1","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O6 -","- C25 H30 N4 O6 -","- C50 H60 N8 O12 -","2","1","","Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael","Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding","Journal of Materials Chemistry C","2019","7","28","8643","","10.1039/C9TC02787D","","","1.54178","CuKα","","0.0815","0.0498","","","0.1038","0.1177","","","","","","1.018","","","","has coordinates","238732","2020-10-21","18:00:00",""
"7237904","10.5345","0.0005","17.8146","0.0008","18.0404","0.0008","97.6867","0.0014","103.314","0.0014","93.6974","0.0014","3249","0.3","134","2","134","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N6 O6 -","- C36 H38 N6 O6 -","- C144 H152 N24 O24 -","4","2","","Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael","Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding","Journal of Materials Chemistry C","2019","7","28","8643","","10.1039/C9TC02787D","","","1.54178","CuKα","","0.0401","0.0349","","","0.1033","0.1078","","","","","","1.05","","","","has coordinates","238734","2020-10-21","18:00:00",""
"7237905","13.6197","0.0004","14.7142","0.0005","16.3128","0.0005","100.607","0.0012","108.11","0.0011","111.409","0.0011","2724.37","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H70 N10 O7 -","- C58 H70 N10 O7 -","- C116 H140 N20 O14 -","2","1","","Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael","Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding","Journal of Materials Chemistry C","2019","7","28","8643","","10.1039/C9TC02787D","","","1.54178","CuKα","","0.047","0.0388","","","0.0944","0.1028","","","","","","1.041","","","","has coordinates,has disorder","238736","2020-10-21","18:00:00",""
"7237906","8.4941","0.0003","11.0389","0.0006","17.5977","0.0004","90","","90","","90.1","0.01","1650.05","0.11","149.9","0.2","149.9","0.2","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C32 H80 Cl20 N8 Sb4 -","4","2","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0202","0.0199","","","0.0359","0.0362","","","","","","0.832","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237907","8.5385","0.0005","11.0894","0.0004","17.9031","0.0007","90","","90","","90","","1695.19","0.13","269.96","0.16","269.96","0.16","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C32 H80 Cl20 N8 Sb4 -","4","0.5","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0998","0.0747","","","0.2412","0.2702","","","","","","1.06","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237908","8.5703","0.0004","10.9382","0.0006","17.7953","0.001","90","","90.805","0.005","90","","1668.03","0.15","239.94","0.19","239.94","0.19","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H20 Cl5 N2 Sb -","- C5.33333 H13.3333 Cl3.33333 N1.33333 Sb0.666667 -","- C32 H80 Cl20 N8 Sb4 -","6","3","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0726","0.0661","","","0.1735","0.1789","","","","","","1.016","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237909","8.5385","0.0006","11.0894","0.0005","17.9031","0.0004","90","","90","","90","","1695.19","0.15","254.99","0.1","254.99","0.1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C8 H20 Cl5 N2 Sb -","- C8 Cl5 N2 Sb -","- C32 Cl20 N8 Sb4 -","4","1","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0754","0.0649","","","0.1814","0.1974","","","","","","1.034","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237910","27.6342","0.0016","8.7182","0.0005","12.6486","0.0007","90","","101.026","0.002","90","","2991.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Zhang, Tingting; Gao, Heqi; Lv, Anqi; Wang, Ziyi; Gong, Yongyang; Ding, Dan; Ma, Huili; Zhang, Yongming; Yuan, Wang Zhang","Hydrogen bonding boosted the persistent room temperature phosphorescence of pure organic compounds for multiple applications","Journal of Materials Chemistry C","2019","7","29","9095","","10.1039/C9TC02879J","","","1.54178","CuKα","","0.0712","0.048","","","0.1094","0.1253","","","","","","1.052","","","","has coordinates","238740","2020-10-21","18:00:00",""
"7237911","11.66","0.002","15.654","0.004","18.325","0.004","88.065","0.017","75.24","0.02","68.408","0.016","3000.7","1.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","4","","Zhang, Tingting; Gao, Heqi; Lv, Anqi; Wang, Ziyi; Gong, Yongyang; Ding, Dan; Ma, Huili; Zhang, Yongming; Yuan, Wang Zhang","Hydrogen bonding boosted the persistent room temperature phosphorescence of pure organic compounds for multiple applications","Journal of Materials Chemistry C","2019","7","29","9095","","10.1039/C9TC02879J","","","1.54178","CuKα","","0.0798","0.0608","","","0.1359","0.1473","","","","","","1.092","","","","has coordinates","238740","2020-10-21","18:00:00",""
"7237912","4.0212","0.0001","18.617","0.0004","20.8228","0.0005","90","","94.204","0.001","90","","1554.66","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C76 H52 N4 O8 -","4","1","","Zhang, Tingting; Gao, Heqi; Lv, Anqi; Wang, Ziyi; Gong, Yongyang; Ding, Dan; Ma, Huili; Zhang, Yongming; Yuan, Wang Zhang","Hydrogen bonding boosted the persistent room temperature phosphorescence of pure organic compounds for multiple applications","Journal of Materials Chemistry C","2019","7","29","9095","","10.1039/C9TC02879J","","","1.54178","CuKα","","0.0914","0.0806","","","0.2422","0.2635","","","","","","1.132","","","","has coordinates","238740","2020-10-21","18:00:00",""
"7237913","17.6736","0.0002","20.21","0.0002","16.2807","0.0001","90","","90","","90","","5815.2","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H67 Ir N4 O4 Pt -","- C58 H67 Ir N4 O4 Pt -","- C232 H268 Ir4 N16 O16 Pt4 -","4","1","","Shafikov, Marsel Z.; Tang, Shi; Larsen, Christian; Bodensteiner, Michael; Kozhevnikov, Valery N.; Edman, Ludvig","An efficient heterodinuclear Ir(iii)/Pt(ii) complex: synthesis, photophysics and application in light-emitting electrochemical cells","Journal of Materials Chemistry C","2019","7","34","10672","","10.1039/C9TC02930C","","x-ray","1.54184","CuKα","","0.0276","0.027","","","0.07","0.0707","","","","","","1.021","","","","has coordinates,has disorder","238742","2020-10-21","18:00:00",""
"7237914","15.1821","0.0007","15.1821","0.0007","60.416","0.006","90","","90","","90","","13925.7","1.7","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H16 N2 O16 Zr3 -","- C32 H16 N2 O16 Zr3 -","- C256 H128 N16 O128 Zr24 -","8","0.25","","Liu, Jin-Min; Hou, Jin-Xin; Liu, Jie; Jing, Xu; Li, Li-Jun; Du, Jian-Long","Pyrazinyl-functionalized Zr(iv)-MOF for ultrasensitive detection of tyrosine/TNP and efficient CO2/N2 separation","Journal of Materials Chemistry C","2019","7","38","11851","","10.1039/C9TC03096D","","","0.71073","MoKα","","0.1412","0.0778","","","0.2542","0.2898","","","","","","1.002","","","","has coordinates","238744","2020-10-21","18:00:00",""
"7237915","7.9135","0.0014","16.74","0.003","10.714","0.002","90","","95.788","0.019","90","","1412.1","0.4","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 N2 O6 -","- C40 H22 N2 O6 -","- C80 H44 N4 O12 -","2","0.5","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.1399","0.0623","","","0.1075","0.1402","","","","","","0.9","","","","has coordinates","238746","2020-10-21","18:00:00",""
"7237916","7.1404","0.0007","28.69","0.004","8.734","0.0011","90","","91.299","0.01","90","","1788.8","0.4","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 N2 O7 -","- C47 H28 N2 O7 -","- C94 H56 N4 O14 -","2","0.5","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.0967","0.0491","","","0.0995","0.1187","","","","","","1.021","","","","has coordinates,has disorder","238746","2020-10-21","18:00:00",""
"7237917","5.5245","0.0006","12.4197","0.0012","15.519","0.0016","71.896","0.009","84.174","0.008","85.859","0.008","1005.93","0.19","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 N2 O6 -","- C52 H42 N2 O6 -","- C52 H42 N2 O6 -","1","0.5","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.1548","0.0778","","","0.154","0.2045","","","","","","1.079","","","","has coordinates","238746","2020-10-21","18:00:00",""
"7237918","20.032","0.004","5.762","0.0012","30.235","0.007","90","","100.56","0.02","90","","3430.8","1.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 N2 O4 -","- C47 H34 N2 O4 -","- C188 H136 N8 O16 -","4","1","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.2081","0.0716","","","0.118","0.1698","","","","","","0.963","","","","has coordinates,has disorder","238746","2020-10-21","18:00:00",""
"7237919","8.2931","0.0015","9.7165","0.0018","11.682","0.0016","76.505","0.005","83.078","0.005","75.073","0.005","882.6","0.3","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H30 N4 S -","- C46 H30 N4 S -","- C46 H30 N4 S -","1","0.5","","Martín, Raúl; Prieto, Pilar; Carrillo, José R.; Rodríguez, Ana M.; de Cozar, Abel; Boj, Pedro G.; Díaz-García, María A.; Ramírez, Manuel G.","Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives","Journal of Materials Chemistry C","2019","7","32","9996","","10.1039/C9TC03148K","","","0.71073","MoKα","","0.1522","0.065","","","0.1557","0.2048","","","","","","0.972","","","","has coordinates,has disorder","238748","2020-10-21","18:00:00",""
"7237920","11.8955","0.0016","17.813","0.002","20.278","0.003","90","","95.537","0.003","90","","4276.7","1","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 Cl6 N4 S -","- C48 H28 Cl6 N4 S -","- C192 H112 Cl24 N16 S4 -","4","1","","Martín, Raúl; Prieto, Pilar; Carrillo, José R.; Rodríguez, Ana M.; de Cozar, Abel; Boj, Pedro G.; Díaz-García, María A.; Ramírez, Manuel G.","Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives","Journal of Materials Chemistry C","2019","7","32","9996","","10.1039/C9TC03148K","","","0.71073","MoKα","","0.2317","0.0898","","","0.2264","0.2921","","","","","","0.945","","","","has coordinates","238748","2020-10-21","18:00:00",""
"7237921","4.914","0.004","10.85","0.008","18.952","0.012","74.5","0.08","85.4","0.07","84.36","0.09","967.5","1.3","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Br N O S -","- C3.55556 H3.77778 Br0.444444 N0.444444 O0.444444 S0.444444 -","- C32 H34 Br4 N4 O4 S4 -","9","4.5","","Shi, Yongqiang; Tang, Yumin; Yang, Kun; Qin, Minchao; Wang, Yang; Sun, Huiliang; Su, Mengyao; Lu, Xinhui; Zhou, Ming; Guo, Xugang","Thiazolothienyl imide-based wide bandgap copolymers for efficient polymer solar cells","Journal of Materials Chemistry C","2019","7","36","11142","","10.1039/C9TC03301G","","","0.71073","MoKα","","0.3183","0.3135","","","0.749","0.7616","","","","","","6.293","","","","has coordinates","238750","2020-10-21","18:00:00",""
"7237922","14.5026","0.0005","10.3056","0.0003","16.6021","0.0006","90","","101.348","0.003","90","","2432.81","0.14","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Br4 N2 Zn -","- C18 H36 Br4 N2 Zn -","- C72 H144 Br16 N8 Zn4 -","4","0.5","","Gao, Ya-Fang; Zhang, Tie; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Great advance in high Tc for hybrid photoelectric-switch bulk/film coupled with dielectric and blue-white light","Journal of Materials Chemistry C","2019","7","32","9840","","10.1039/C9TC03338F","","","0.71073","MoKα","","0.0314","0.0247","","","0.0537","0.0557","","","","","","1.031","","","","has coordinates","238752","2020-10-21","18:00:00",""
"7237923","14.6305","0.0011","10.9175","0.0006","16.4244","0.001","90","","103.984","0.007","90","","2545.7","0.3","388","2","388","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Br4 N2 Zn -","- C18 H36 Br4 N2 Zn -","- C72 H144 Br16 N8 Zn4 -","4","0.5","","Gao, Ya-Fang; Zhang, Tie; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Great advance in high Tc for hybrid photoelectric-switch bulk/film coupled with dielectric and blue-white light","Journal of Materials Chemistry C","2019","7","32","9840","","10.1039/C9TC03338F","","","0.71073","MoKα","","0.0675","0.0438","","","0.1436","0.1539","","","","","","1.069","","","","has coordinates,has disorder","238752","2020-10-21","18:00:00",""
"7237924","6.9148","0.0001","9.7402","0.0002","14.5052","0.0002","90","","91.353","0.002","90","","976.68","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu2 O9 -","- C6 H8 Cu2 O9 -","- C24 H32 Cu8 O36 -","4","1","","Shi, Dongying; Cui, Chao-Jie; Hu, Min; Ren, A-Hao; Song, Lu-Bin; Liu, Chun-Sen; Du, Miao","A microporous mixed-metal (Na/Cu) mixed-ligand (flexible/rigid) metal‒organic framework for photocatalytic H2 generation","Journal of Materials Chemistry C","2019","7","33","10211","","10.1039/C9TC03342D","","","1.54178","CuKα","","0.04","0.0386","","","0.0937","0.0949","","","","","","1.036","","","","has coordinates","238754","2020-10-21","18:00:00",""
"7237925","15.7471","0.001","17.8249","0.001","11.4482","0.0006","90","","95.314","0.005","90","","3199.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32.5 Cu2 N4 Na0.5 O17.5 -","- C28 H18 Cu2 N4 Na0.5 O17.5 -","- C112 H72 Cu8 N16 Na2 O70 -","4","1","","Shi, Dongying; Cui, Chao-Jie; Hu, Min; Ren, A-Hao; Song, Lu-Bin; Liu, Chun-Sen; Du, Miao","A microporous mixed-metal (Na/Cu) mixed-ligand (flexible/rigid) metal‒organic framework for photocatalytic H2 generation","Journal of Materials Chemistry C","2019","7","33","10211","","10.1039/C9TC03342D","","","1.54178","CuKα","","0.0764","0.0582","","","0.1741","0.1922","","","","","","1.073","","","","has coordinates","238756","2020-10-21","18:00:00",""
"7237926","11.1664","0.0015","11.04","0.004","11.208","0.004","90","","98.792","0.006","90","","1365.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-phenyl-9H-carbazole-2-carbonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0723","0.0424","","","0.0843","0.0942","","","","","","1.004","","","","has coordinates","238757","2020-10-21","18:00:00",""
"7237927","10.205","0.0003","15.88","0.0005","8.508","0.0007","90","","92.8","0.04","90","","1377.12","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.2031","0.0636","","","0.1199","0.1715","","","","","","0.964","","","","has coordinates","238757","2020-10-21","18:00:00",""
"7237928","14.7314","0.0014","24.585","0.002","8.0451","0.0008","90","","90","","90","","2913.7","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0631","0.0411","","","0.0987","0.1137","","","","","","0.968","","","","has coordinates","238757","2020-10-21","18:00:00",""
"7237929","15.265","0.008","8.089","0.004","22.642","0.012","90","","92.613","0.011","90","","2793","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4","","- C38 H24 N4 -","- C38 H24 N4 -","- C152 H96 N16 -","4","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0756","0.0457","","","0.111","0.1276","","","","","","0.993","","","","has coordinates","238757","2020-10-21","18:00:00",""
"7237930","13.648","0.003","10.545","0.001","18.9249","0.0008","90","","92.28","0.03","90","","2721.5","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-phenyl-9H-carbazole-3-carbonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0736","0.0499","","","0.1323","0.1476","","","","","","1.086","","","","has coordinates","238757","2020-10-21","18:00:00",""
"7237931","17.32","0.003","14.524","0.003","13.424","0.004","90","","125.116","0.008","90","","2762.3","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","1","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.0515","0.0456","","","0.0967","0.1005","","","","","","1.042","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237932","17.7","0.03","14.592","0.018","13.53","0.02","90","","125.01","0.02","90","","2862","7","348","2","348","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","0.5","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.1491","0.1135","","","0.2422","0.2667","","","","","","1.037","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237933","18.008","0.017","14.686","0.011","13.433","0.012","90","","125.206","0.015","90","","2903","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","0.5","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.102","0.0757","","","0.1493","0.1632","","","","","","1.045","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237934","18.25","0.03","14.81","0.03","13.65","0.04","90","","125.12","0.03","90","","3018","12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","0.5","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.1588","0.1344","","","0.3212","0.3397","","","","","","1.018","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237935","12.0916","0.0017","11.4255","0.0016","10.9413","0.0016","90","","101.999","0.003","90","","1478.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0594","0.0407","","","0.0928","0.1052","","","","","","1.008","","","","has coordinates","238761","2020-10-21","18:00:00",""
"7237936","9.117","0.004","8.4","0.003","11.068","0.004","90","","107.736","0.007","90","","807.3","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C38 H26 Cl4 N2 O2 -","2","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0544","0.0429","","","0.1121","0.1219","","","","","","1.188","","","","has coordinates","238761","2020-10-21","18:00:00",""
"7237937","9.244","0.004","8.389","0.004","11.306","0.005","90","","107.57","0.008","90","","835.9","0.7","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 Br2 N O -","- C19 H13 Br2 N O -","- C38 H26 Br4 N2 O2 -","2","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.1002","0.0582","","","0.1391","0.1605","","","","","","0.959","","","","has coordinates,has disorder","238761","2020-10-21","18:00:00",""
"7237938","13.173","0.004","13.212","0.004","17.216","0.005","90","","90","","90","","2996.3","1.6","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C152 H104 F16 N8 O8 -","8","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0948","0.0453","","","0.0993","0.1206","","","","","","1.014","","","","has coordinates,has disorder","238761","2020-10-21","18:00:00",""
"7237939","8.3732","0.0003","8.3732","0.0003","13.9808","0.0009","90","","90","","120","","848.88","0.07","320","2","320","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","DMAPbCl3D - T320K","","","- Cl3 Pb -","- Cl3 Pb -","- Cl12 Pb4 -","4","0.166667","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.0653","0.0517","","","0.1458","0.158","","","","","","1.097","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237940","8.5","0.0002","13.4458","0.0004","14.1302","0.0005","90","","90","","90","","1614.93","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DMAPbCl3D - T100K","","","- C4 H16 Cl6 N2 Pb2 -","- C4 H16 Cl6 N2 Pb2 -","- C16 H64 Cl24 N8 Pb8 -","4","1","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.0511","0.0426","","","0.1097","0.1142","","","","","","1.028","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237941","8.7631","0.0004","13.9568","0.0006","14.711","0.0007","90","","90","","90","","1799.23","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DMAPbBr_B - 6_T100K","","","- C4 H16 Br6 N2 Pb2 -","- C4 H16 Br6 N2 Pb2 -","- C16 H64 Br24 N8 Pb8 -","4","1","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.136","0.0979","","","0.2229","0.2577","","","","","","1.027","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237942","9.1587","0.0006","10.6229","0.0007","11.4011","0.0008","101.576","0.006","109.827","0.006","108.65","0.006","927.32","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Br2 N2 O6 S2 -","- C38 H42 Br2 N2 O6 S2 -","- C38 H42 Br2 N2 O6 S2 -","1","0.5","","Guo, Kai; Wu, Botao; Jiang, Yu; Wang, Zhongli; Liang, Ziqi; Li, Yuning; Deng, Yunfeng; Geng, Yanhou","Synthesis of an isomerically pure thienoquinoid for unipolar n-type conjugated polymers: effect of backbone curvature on charge transport performance","Journal of Materials Chemistry C","2019","7","33","10352","","10.1039/C9TC03556G","","","1.54184","CuKα","","0.0795","0.0759","","","0.2158","0.2174","","","","","","1.091","","","","has coordinates,has disorder","238765","2020-10-21","18:00:00",""
"7237943","12.3771","0.0003","37.6178","0.0007","9.1884","0.0002","90","","104.958","0.002","90","","4133.15","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 Cl3 N2 O4 S2 -","- C50 H35 Cl3 N2 O4 S2 -","- C200 H140 Cl12 N8 O16 S8 -","4","1","","Zeng, Xuan; Pan, Kuan-Chung; Lee, Wei-Kai; Gong, Shaolong; Ni, Fan; Xiao, Xiao; Zeng, Weixuan; Xiang, Yepeng; Zhan, Lisi; Zhang, Yu; Wu, Chung-Chih; Yang, Chuluo","High-efficiency pure blue thermally activated delayed fluorescence emitters with a preferentially horizontal emitting dipole orientation via a spiro-linked double D‒A molecular architecture","Journal of Materials Chemistry C","2019","7","35","10851","","10.1039/C9TC03582F","","x-ray","1.54184","CuKα","","0.0637","0.0518","","","0.1334","0.146","","","","","","1.015","","","","has coordinates","238767","2020-10-21","18:00:00",""
"7237944","8.1792","0.0007","17.3237","0.0015","15.7673","0.0015","90","","103.382","0.003","90","","2173.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C108 H92 N4 O8 S4 -","4","1","","Zeng, Xuan; Pan, Kuan-Chung; Lee, Wei-Kai; Gong, Shaolong; Ni, Fan; Xiao, Xiao; Zeng, Weixuan; Xiang, Yepeng; Zhan, Lisi; Zhang, Yu; Wu, Chung-Chih; Yang, Chuluo","High-efficiency pure blue thermally activated delayed fluorescence emitters with a preferentially horizontal emitting dipole orientation via a spiro-linked double D‒A molecular architecture","Journal of Materials Chemistry C","2019","7","35","10851","","10.1039/C9TC03582F","","","0.71073","MoKα","","0.0918","0.0507","","","0.1205","0.143","","","","","","1.01","","","","has coordinates","238767","2020-10-21","18:00:00",""
"7237945","16.8177","0.0009","11.9953","0.0007","25.5307","0.0015","90","","90","","90","","5150.4","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 Cl2 N3 O2 Pd -","- C26 H29 Cl2 N3 O2 Pd -","- C208 H232 Cl16 N24 O16 Pd8 -","8","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer","Lamellar columnar liquid-crystalline mesophases as a 2D platform for anhydrous proton conduction","Journal of Materials Chemistry C","2019","7","33","10318","","10.1039/C9TC03627J","","","0.71073","MoKα","","0.1062","0.0509","","","0.1263","0.1808","","","","","","0.993","","","","has coordinates","238769","2020-10-21","18:00:00",""
"7237946","14.5067","0.0015","21.4211","0.0018","20.0413","0.0017","90","","92.027","0.01","90","","6223.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Br2 N4 O2 Pd -","- C28 H38 Br2 N4 O2 Pd -","- C224 H304 Br16 N32 O16 Pd8 -","8","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer","Lamellar columnar liquid-crystalline mesophases as a 2D platform for anhydrous proton conduction","Journal of Materials Chemistry C","2019","7","33","10318","","10.1039/C9TC03627J","","","0.71073","MoKα","","0.0805","0.0451","","","0.1211","0.1422","","","","","","0.994","","","","has coordinates","238769","2020-10-21","18:00:00",""
"7237947","9.9655","0.0009","12.2501","0.0011","13.6017","0.0012","85.163","0.002","88.64","0.002","80.607","0.002","1632.3","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Cl3 Ir N4 O2 -","- C38 H26 Cl3 Ir N4 O2 -","- C76 H52 Cl6 Ir2 N8 O4 -","2","1","","You, Caifa; Liu, Denghui; Meng, Fanyuan; Wang, Yafei; Yu, Junting; Wang, Song; Su, Shijian; Zhu, Weiguo","Iridium(iii) phosphors with rigid fused-heterocyclic chelating architectures for efficient deep-red/near-infrared emissions in polymer light-emitting diodes","Journal of Materials Chemistry C","2019","7","35","10961","","10.1039/C9TC03645H","","","0.71073","MoKα","","0.0478","0.0399","","","0.104","0.1088","","","","","","1.03","","","","has coordinates","238771","2020-10-21","18:00:00",""
"7237948","13.2845","0.0007","16.5525","0.0008","17.2928","0.0011","82.589","0.004","74.698","0.004","76.485","0.003","3557","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H93 Ir N4 O6 -","- C81 H93 Ir N4 O6 -","- C162 H186 Ir2 N8 O12 -","2","1","","You, Caifa; Liu, Denghui; Meng, Fanyuan; Wang, Yafei; Yu, Junting; Wang, Song; Su, Shijian; Zhu, Weiguo","Iridium(iii) phosphors with rigid fused-heterocyclic chelating architectures for efficient deep-red/near-infrared emissions in polymer light-emitting diodes","Journal of Materials Chemistry C","2019","7","35","10961","","10.1039/C9TC03645H","","","1.34139","GaKα","","0.0992","0.0623","","","0.1613","0.1898","","","","","","1.031","","","","has coordinates","238772","2020-10-21","18:00:00",""
"7237949","17.686","0.003","10.9614","0.0016","19.865","0.003","90","","106.682","0.008","90","","3689","1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F4 Ir N3 O5 -","- C40 H30 F4 Ir N3 O5 -","- C160 H120 F16 Ir4 N12 O20 -","4","1","","Li, Dan; Li, Guangfu; Xie, Jiaxin; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Strategic modification of ligands for remarkable piezochromic luminescence (PCL) based on a neutral Ir(iii) phosphor","Journal of Materials Chemistry C","2019","7","35","10876","","10.1039/C9TC03646F","","","1.54178","CuKα","","0.0352","0.0268","","","0.0602","0.0641","","","","","","1.095","","","","has coordinates","238774","2020-10-21","18:00:00",""
"7237950","9.4641","0.0003","10.6052","0.0003","13.0261","0.0004","75.531","0.003","79.202","0.003","87.392","0.003","1243.53","0.07","101","1","101","1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 Cl3 N3 O18 S6 Yb2 -","- C33.15 H36 Cl2.85 N3.15 O18 S6 Yb2 -","- C33.15 H36 Cl2.85 N3.15 O18 S6 Yb2 -","1","0.5","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","","1.54184","CuKα","","0.0608","0.0565","","","0.1546","0.1594","","","","","","1.058","","","","has coordinates,has disorder","238776","2020-10-21","18:00:00",""
"7237951","19.7597","0.001","19.7597","0.001","14.6295","0.001","90","","90","","90","","5712","0.6","100","0.1","100","0.1","","","","","","","","7","I 4/m","-I 4","87","","","","- C65.89 H72 Cl6.11 Er4 N5.89 O36 S12 -","- C65.888 H72 Cl6.112 Er4 N5.888 O36 S12 -","- C131.776 H144 Cl12.224 Er8 N11.776 O72 S24 -","2","0.125","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","x-ray","1.54184","CuKα","","0.1828","0.1255","","","0.1707","0.1909","","","","","","1.056","","","","has coordinates,has disorder","238777","2020-10-21","18:00:00",""
"7237952","9.4433","0.0003","10.6073","0.0003","13.0079","0.0004","75.844","0.002","79.142","0.003","87.177","0.002","1240.78","0.07","102","2","102","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H36 Cl3 Er N3 O18 S6 Yb -","- C33.978 H36 Cl2.022 Er2 N3.978 O18 S6 -","- C33.978 H36 Cl2.022 Er2 N3.978 O18 S6 -","1","0.5","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","","1.54184","CuKα","","0.0648","0.0595","","","0.1577","0.1627","","","","","","1.022","","","","has coordinates,has disorder","238779","2020-10-21","18:00:00",""
"7237953","5.0685","0.0013","12.33","0.003","34.435","0.009","90","","90","","90","","2152","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1M","","","- C31 H19 N O -","- C31 H19 N O -","- C124 H76 N4 O4 -","4","1","","Zhang, Junying; Tang, Shao-Xiong; Fu, Rong; Xu, Xing-Dong; Feng, Shengyu","Aggregation-induced photodimerization of an alkynylpyrene derivative as a photoresponsive fluorescent ink","Journal of Materials Chemistry C","2019","7","44","13786","","10.1039/C9TC03786A","","","0.71","MoKα","","0.0597","0.038","","","0.0773","0.0876","","","","","","1.035","","","","has coordinates","238781","2020-10-21","18:00:00",""
"7237954","12.1535","0.0008","17.2039","0.0013","21.2434","0.0014","85.915","0.006","82.611","0.005","70.949","0.006","4161.6","0.5","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C55 H34 N6 -","- C55 H34 N6 -","- C220 H136 N24 -","4","2","","Guo, Xuan; Bian, Mengying; Lv, Fang; Wang, Yuanxun; Zhao, Zifeng; Bian, Zuqiang; Qu, Bo; Xiao, Lixin; Chen, Zhijian","Increasing electron transporting properties and horizontal molecular orientation via meta-position of nitrogen for “(A)n‒D‒(A)n” structured terpyridine electron-transporting material","Journal of Materials Chemistry C","2019","7","37","11581","","10.1039/C9TC03787J","","x-ray","0.71073","MoKα","","0.1664","0.0869","","","0.1692","0.1973","","","","","","1.035","","","","has coordinates","238783","2020-10-21","18:00:00",""
"7237955","14.9363","0.001","14.9363","0.001","39.332","0.006","90","","90","","90","","8774.7","1.6","296.15","","296.15","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C45 H50 O10 -","- C45 H50 O10 -","- C360 H400 O80 -","8","0.5","","Chen, Jin-Fa; Meng, Guoyun; Zhu, Qian; Zhang, Songhe; Chen, Pangkuan","Pillar[5]arenes: a new class of AIEgen macrocycles used for luminescence sensing of Fe3+ ions","Journal of Materials Chemistry C","2019","7","38","11747","","10.1039/C9TC03831K","","","0.71073","MoKα","","0.1333","0.0603","","","0.1693","0.2291","","","","","","1.001","","","","has coordinates","238785","2020-10-21","18:00:00",""
"7237956","9.0445","0.0013","10.552","0.0015","13.01","0.002","81.909","0.009","70.755","0.009","84.493","0.009","1159","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N3 O2 Pt -","- C27 H23 N3 O2 Pt -","- C54 H46 N6 O4 Pt2 -","2","1","","Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Guo, Haoran; Zhou, Guijiang; Ma, Wei; Wu, Zhaoxin","Aggregation-induced emission triggered by the radiative-transition-switch of a cyclometallated Pt(ii) complex","Journal of Materials Chemistry C","2019","7","40","12552","","10.1039/C9TC03838H","","","0.71073","MoKα","","0.0314","0.0235","","","0.0552","0.059","","","","","","0.866","","","","has coordinates","238787","2020-10-21","18:00:00",""
"7237957","11.572","0.0003","14.5866","0.0003","20.1757","0.0005","90","","99.824","0.002","90","","3355.64","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(Hdma)Bi(1,4-ndc)2DMF]n,nDMF","","","- C31.99 H33.12 Bi N3 O10 -","- C31.984 H33.132 Bi N3 O10 -","- C127.936 H132.528 Bi4 N12 O40 -","4","1","","Lu, Jian; Zhao, Xiu-Hui; Bai, Bing; Zheng, Fa-Kun; Guo, Guo-Cong","Significant enhancement of cathode-ray scintillation for a conductive Bi-SMOF via in situ partial rare earth ion replacement","Journal of Materials Chemistry C","2019","7","36","11099","","10.1039/C9TC03858B","","x-ray","0.71073","MoKα","","0.0317","0.0232","","","0.0453","0.0472","","","","","","1.021","","","","has coordinates,has disorder","238789","2020-10-21","18:00:00",""
"7237958","13.4753","0.0012","14.2487","0.0013","16.597","0.0015","106.997","0.0017","94.9688","0.0017","107.877","0.0015","2845.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H18 F6 Ir N3 O3 S -","- C29 H18 F6 Ir N3 O3 S -","- C116 H72 F24 Ir4 N12 O12 S4 -","4","2","","Zhang, Lin; Yan, Zhi-Ping; Tu, Zhen-Long; Wu, Zheng-Guang; Zheng, You-Xuan","Green-emitting iridium(iii) complexes containing pyridine sulfonic acid as ancillary ligands for efficient OLEDs with extremely low efficiency roll-off","Journal of Materials Chemistry C","2019","7","37","11606","","10.1039/C9TC03937F","","","0.71073","MoKα","","0.0626","0.0408","","","0.0975","0.109","","","","","","0.984","","","","has coordinates,has disorder","238790","2020-10-21","18:00:00",""
"7237959","9.0788","0.0008","19.4903","0.0017","31.615","0.003","90","","90","","90","","5594.2","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Ir N3 O3 S -","- C29 H18 F6 Ir N3 O3 S -","- C232 H144 F48 Ir8 N24 O24 S8 -","8","1","","Zhang, Lin; Yan, Zhi-Ping; Tu, Zhen-Long; Wu, Zheng-Guang; Zheng, You-Xuan","Green-emitting iridium(iii) complexes containing pyridine sulfonic acid as ancillary ligands for efficient OLEDs with extremely low efficiency roll-off","Journal of Materials Chemistry C","2019","7","37","11606","","10.1039/C9TC03937F","","","0.71073","MoKα","","0.0785","0.0558","","","0.1084","0.1155","","","","","","1.177","","","","has coordinates","238792","2020-10-21","18:00:00",""
"7237960","10.951","0.002","10.159","0.002","26.604","0.005","90","","99.365","0.007","90","","2920.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 -","- C37 H32 N4 -","- C148 H128 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.1392","0.0831","","","0.206","0.2602","","","","","","1.036","","","","has coordinates","238794","2020-10-21","18:00:00",""
"7237961","8.1632","0.0004","33.999","0.002","10.2383","0.0005","90","","90","","90","","2841.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C148 H120 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0704","0.0445","","","0.0967","0.1109","","","","","","1.056","","","","has coordinates","238794","2020-10-21","18:00:00",""
"7237962","8.1615","0.0002","33.9887","0.0012","10.2333","0.0003","90","","90","","90","","2838.7","0.15","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C148 H120 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0674","0.0441","","","0.0845","0.0965","","","","","","1.062","","","","has coordinates","238794","2020-10-21","18:00:00",""
"7237963","10.9558","0.0003","10.1374","0.0003","26.5962","0.0007","90","","99.376","0.001","90","","2914.4","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 -","- C37 H32 N4 -","- C148 H128 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0685","0.0447","","","0.105","0.1221","","","","","","1.034","","","","has coordinates","238794","2020-10-21","18:00:00",""
"7237964","13.2762","0.001","13.6624","0.0011","16.458","0.0013","90","","107.96","0.002","90","","2839.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Br2 N2 O3 S2 -","- C27 H34 Br2 N2 O3 S2 -","- C108 H136 Br8 N8 O12 S8 -","4","1","","Wang, Hua-Chun; Ren, Minrun; Cao, Jian; Yin, Hong-Bo; Zhang, Guichuan; Xiao, Jingyang; Ren, Xiancheng; Yip, Hin-Lap; Xu, Yun-Xiang","A distorted lactam unit with intramolecular hydrogen bonds as the electron donor of polymer solar cells","Journal of Materials Chemistry C","2019","7","39","12290","","10.1039/C9TC04014E","","","1.34138","GaKα","","0.0474","0.0455","","","0.1185","0.1202","","","","","","1.036","","","","has coordinates,has disorder","238796","2020-10-21","18:00:00",""
"7237965","8.9832","0.0002","10.0012","0.0004","11.0442","0.0004","76.698","0.003","81.519","0.002","78.513","0.003","940.89","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 Cd3 O12 -","- C42 H30 Cd3 O12 -","- C42 H30 Cd3 O12 -","1","0.5","","Miao, Jinling; Nie, Yong; Li, Yexin; Qin, Chengyuan; Ren, Yifan; Xu, Chunyue; Yan, Meijing; Liu, Kexin; Liu, Guangning","Single-component solid state white-light emission and photoluminescence color tuning of a Cd(ii) complex and its application as a luminescence thermometer","Journal of Materials Chemistry C","2019","7","43","13454","","10.1039/C9TC04033A","","x-ray","0.71073","MoKα","","0.0297","0.0221","","","0.0468","0.05","","","","","","1.053","","","","has coordinates","238798","2020-10-21","18:00:00",""
"7237966","12.5936","0.0005","8.8231","0.0003","16.1379","0.0006","90","","99.837","0.004","90","","1766.79","0.12","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cd2 N4 O8 -","- C38 H32 Cd2 N4 O8 -","- C76 H64 Cd4 N8 O16 -","2","0.5","","Miao, Jinling; Nie, Yong; Li, Yexin; Qin, Chengyuan; Ren, Yifan; Xu, Chunyue; Yan, Meijing; Liu, Kexin; Liu, Guangning","Single-component solid state white-light emission and photoluminescence color tuning of a Cd(ii) complex and its application as a luminescence thermometer","Journal of Materials Chemistry C","2019","7","43","13454","","10.1039/C9TC04033A","","x-ray","0.71073","MoKα","","0.0561","0.0425","","","0.0952","0.1046","","","","","","1.032","","","","has coordinates","238798","2020-10-21","18:00:00",""
"7237967","9.1718","0.0003","7.47627","0.00019","30.853","0.0009","90","","91.843","0.003","90","","2114.52","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 O2 -","- C26 H18 Cl2 O2 -","- C104 H72 Cl8 O8 -","4","1","","Tang, Zhaofeng; Zhou, Sainan; Wang, Xiangyang; Liu, Heyuan; Yan, Xinyu; Liu, Shanshan; Lu, Xiaoqing; Li, Xiyou","Enhancing the intermolecular singlet fission efficiency by controlling the self-assembly of amphipathic tetracene derivatives in aqueous solution","Journal of Materials Chemistry C","2019","7","36","11090","","10.1039/C9TC04070F","","x-ray","1.54184","CuKα","","0.1045","0.0921","","","0.2998","0.3262","","","","","","1.33","","","","has coordinates","238800","2020-10-21","18:00:00",""
"7237968","13.3341","0.0014","14.3315","0.0016","17.3246","0.0017","101.642","0.009","90.149","0.008","90.054","0.009","3242.6","0.6","150","0.1","150","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C96 H64 -","- C96 H64 -","- C192 H128 -","2","1","","Tang, Zhaofeng; Zhou, Sainan; Wang, Xiangyang; Liu, Heyuan; Yan, Xinyu; Liu, Shanshan; Lu, Xiaoqing; Li, Xiyou","Enhancing the intermolecular singlet fission efficiency by controlling the self-assembly of amphipathic tetracene derivatives in aqueous solution","Journal of Materials Chemistry C","2019","7","36","11090","","10.1039/C9TC04070F","","x-ray","0.71","MoKα","","0.1871","0.1004","","","0.2435","0.3185","","","","","","1.048","","","","has coordinates","238800","2020-10-21","18:00:00",""
"7237969","19.6702","0.0007","10.3189","0.0005","17.1073","0.0008","90","","90","","90","","3472.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","BTCMA","","- C71 H8 S -","- C71 H8 S -","- C284 H32 S4 -","4","1","","Tian, Chengbo; Chen, Miaomiao; Tian, Hanrui; Nan, Ziang; Liang, Yuming; Wei, Zhanhua","Tuning the molecular packing and energy levels of fullerene acceptors for polymer solar cells","Journal of Materials Chemistry C","2019","7","40","12688","","10.1039/C9TC04111G","","x-ray","1.54184","CuKα","","0.0834","0.0785","","","0.2198","0.2238","","","","","","1.078","","","","has coordinates,has disorder","238802","2020-10-21","18:00:00",""
"7237970","19.5012","0.0004","17.5328","0.0003","21.1857","0.0005","90","","98.027","0.002","90","","7172.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H10 O S -","- C72 H10 O S -","- C576 H80 O8 S8 -","8","2","","Tian, Chengbo; Chen, Miaomiao; Tian, Hanrui; Nan, Ziang; Liang, Yuming; Wei, Zhanhua","Tuning the molecular packing and energy levels of fullerene acceptors for polymer solar cells","Journal of Materials Chemistry C","2019","7","40","12688","","10.1039/C9TC04111G","","x-ray","1.54184","CuKα","","0.067","0.0558","","","0.1503","0.1622","","","","","","1.057","","","","has coordinates","238802","2020-10-21","18:00:00",""
"7237971","9.3883","0.0002","9.5773","0.0001","11.6563","0.0002","72.243","0.002","81.656","0.002","87.613","0.001","987.57","0.03","291.9","0.5","291.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.0632","0.0551","","","0.1491","0.1544","","","","","","1.073","","","","has coordinates,has disorder","238805","2020-10-21","18:00:00",""
"7237972","9.8537","0.0005","9.7409","0.0005","10.7497","0.0005","90","","107.104","0.005","90","","986.16","0.09","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.0649","0.0595","","","0.1803","0.19","","","","","","1.075","","","","has coordinates,has disorder","238805","2020-10-21","18:00:00",""
"7237973","21.2255","0.0004","11.3734","0.0002","17.6183","0.0003","90","","113.602","0.002","90","","3897.38","0.13","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N -","- C26 H21 N -","- C208 H168 N8 -","8","2","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.07","0.0614","","","0.1619","0.1672","","","","","","1.069","","","","has coordinates,has disorder","238805","2020-10-21","18:00:00",""
"7237974","3.8748","0.0003","13.0602","0.001","11.0151","0.001","90","","98.117","0.007","90","","551.84","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br2 O2 S2 -","- C10 H4 Br2 O2 S2 -","- C20 H8 Br4 O4 S4 -","2","0.5","","Tani, Yosuke; Terasaki, Morihisa; Komura, Mao; Ogawa, Takuji","Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone","Journal of Materials Chemistry C","2019","7","38","11926","","10.1039/C9TC04176A","","","0.71075","MoKα","","0.0352","0.0248","","","0.0521","0.0534","","","","","","1.001","","","","has coordinates","238807","2020-10-21","18:00:00",""
"7237975","12.0795","0.0009","9.5698","0.0006","27.9836","0.0017","90","","92.019","0.007","90","","3232.9","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Terasaki, Morihisa; Komura, Mao; Ogawa, Takuji","Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone","Journal of Materials Chemistry C","2019","7","38","11926","","10.1039/C9TC04176A","","","0.71075","MoKα","","0.0442","0.0304","","","0.0604","0.0641","","","","","","1.017","","","","has coordinates","238807","2020-10-21","18:00:00",""
"7237976","14.8648","0.0005","14.9373","0.0004","15.6032","0.0004","90","","117.17","0.008","90","","3082.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 O2 S2 Si2 -","- C28 H46 O2 S2 Si2 -","- C112 H184 O8 S8 Si8 -","4","1","","Tani, Yosuke; Terasaki, Morihisa; Komura, Mao; Ogawa, Takuji","Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone","Journal of Materials Chemistry C","2019","7","38","11926","","10.1039/C9TC04176A","","","0.71075","MoKα","","0.0354","0.0295","","","0.0773","0.0874","","","","","","1.098","","","","has coordinates","238807","2020-10-21","18:00:00",""
"7237977","6.6874","0.0003","8.4353","0.0003","13.3471","0.0007","86.724","0.004","89.892","0.004","66.719","0.004","690.3","0.06","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C9 H8 F3 P0.5 S6 -","- C9 H8 F3 P0.5 S6 -","- C18 H16 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0335","0.0331","","","0.0906","0.0912","","","","","","1.067","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237978","6.6574","0.0008","8.7901","0.0011","13.9791","0.0011","104.001","0.009","93.385","0.008","110.082","0.012","736.36","0.16","150","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H10 F3 P0.5 S6 -","- C10 H10 F3 P0.5 S6 -","- C20 H20 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0676","0.0565","","","0.1619","0.1977","","","","","","1.163","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237979","11.3175","0.0005","14.386","0.0007","16.3305","0.0007","90","","90","","90","","2658.8","0.2","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C80 H80 S48 -","8","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0657","0.0568","","","0.1634","0.174","","","","","","1.1","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237980","8.224","0.0002","12.4006","0.0003","13.2719","0.0003","90","","90","","90","","1353.5","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0238","0.0223","","","0.0553","0.0562","","","","","","1.021","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237981","6.7396","0.0003","8.5079","0.0003","13.4369","0.0006","93.626","0.003","90.268","0.004","113.096","0.004","706.93","0.06","292.88","0.1","292.88","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","1","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0538","0.0519","","","0.1332","0.136","","","","","","1.099","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237982","6.6481","0.0003","8.7844","0.0005","13.9788","0.0005","103.905","0.004","93.412","0.004","109.901","0.005","736.13","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H10 F3 P0.5 S6 -","- C10 H10 F3 P0.5 S6 -","- C20 H20 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0511","0.0468","","","0.1161","0.1218","","","","","","1.05","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237983","8.2254","0.0002","12.4077","0.0002","13.2789","0.0003","90","","90","","90","","1355.22","0.05","153.26","0.1","153.26","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0238","0.0227","","","0.0585","0.0589","","","","","","1.063","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237984","8.1196","0.0004","10.5643","0.0005","13.074","0.0007","98.689","0.004","99.065","0.004","101.231","0.004","1066.95","0.1","294.54","0.1","294.54","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 F6 O P S6 -","- C14 H18 F6 O P S6 -","- C28 H36 F12 O2 P2 S12 -","2","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0735","0.0619","","","0.1735","0.1928","","","","","","1.061","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237985","6.7028","0.0004","8.3786","0.0006","13.3275","0.0015","93.076","0.007","90.018","0.008","113.21","0.006","686.72","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","1","0.5","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0589","0.0507","","","0.1367","0.1417","","","","","","1.077","","","","has coordinates,has disorder","238810","2020-10-21","18:00:00",""
"7237986","15.0083","0.0002","15.807","0.0002","15.9762","0.0002","83.797","0.001","86.358","0.001","69.306","0.001","3523.53","0.08","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","12AcCz-PM","","- C98 H72 N8 -","- C98 H72 N8 -","- C196 H144 N16 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Chung, Won Jae; Yoon, Sung Joon; Wang, Yaxiong; Guo, Runda; Ye, Shaofeng; Lee, Jun Yeob; Wang, Lei","Highly efficient TADF OLEDs with low efficiency roll-off based on novel acridine‒carbazole hybrid donor-substituted pyrimidine derivatives","Journal of Materials Chemistry C","2019","7","39","12248","","10.1039/C9TC04284A","","x-ray","1.54184","CuKα","","0.0423","0.0414","","","0.0997","0.1001","","","","","","1.092","","","","has coordinates","238812","2020-10-21","18:00:00",""
"7237987","15.3627","0.0001","14.6158","0.0001","16.7357","0.0001","90","","107.788","0.001","90","","3578.16","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","23AcCz-PM","","- C49 H36 N4 -","- C49 H36 N4 -","- C196 H144 N16 -","4","1","","Zhang, Qing; Sun, Shuaiqiang; Chung, Won Jae; Yoon, Sung Joon; Wang, Yaxiong; Guo, Runda; Ye, Shaofeng; Lee, Jun Yeob; Wang, Lei","Highly efficient TADF OLEDs with low efficiency roll-off based on novel acridine‒carbazole hybrid donor-substituted pyrimidine derivatives","Journal of Materials Chemistry C","2019","7","39","12248","","10.1039/C9TC04284A","","x-ray","1.54184","CuKα","","0.0401","0.0377","","","0.0928","0.0944","","","","","","1.025","","","","has coordinates","238812","2020-10-21","18:00:00",""
"7237988","12.284","0.004","7.108","0.002","21.887","0.009","90","","105.717","0.007","90","","1839.6","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 B2 N4 -","- C46 H40 B2 N4 -","- C92 H80 B4 N8 -","2","0.5","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B‒N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.1389","0.077","","","0.1886","0.2299","","","","","","1.029","","","","has coordinates","238814","2020-10-21","18:00:00",""
"7237989","11.5795","0.0005","12.0816","0.0005","16.8101","0.0011","97.113","0.004","100.9","0.004","117.414","0.003","1989.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B2 N4 S -","- C50 H42 B2 N4 S -","- C100 H84 B4 N8 S2 -","2","1","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B‒N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.0821","0.0633","","","0.1632","0.174","","","","","","1.086","","","","has coordinates","238814","2020-10-21","18:00:00",""
"7237990","7.0486","0.0017","15.859","0.004","19.155","0.005","90","","95.549","0.006","90","","2131.2","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 B2 N4 S2 -","- C54 H44 B2 N4 S2 -","- C108 H88 B4 N8 S4 -","2","0.5","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B‒N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.1252","0.0559","","","0.1223","0.1524","","","","","","0.978","","","","has coordinates","238814","2020-10-21","18:00:00",""
"7237991","13.4091","0.0006","14.0249","0.0007","19.5464","0.0013","109.303","0.004","95.233","0.004","112.832","0.003","3094","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H72 B2 N4 -","- C71 H72 B2 N4 -","- C142 H144 B4 N8 -","2","1","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B‒N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.106","0.0569","","","0.1474","0.1664","","","","","","0.936","","","","has coordinates,has disorder","238814","2020-10-21","18:00:00",""
"7237992","24.2858","0.0018","16.1704","0.0012","9.8778","0.0007","90","","97.135","0.006","90","","3849.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H120 N4 O12 -","- C80 H120 N4 O12 -","- C160 H240 N8 O24 -","2","0.5","","Diebold, Morgane; Christ, Elliot; Biniek, Laure; Karmazin, Lydia; Heinrich, Benoît; Contal, Christophe; Ghosh, Suhrit; Mesini, Philippe J.; Brinkmann, Martin","Original polymorphism in a naphthalene bisimide π-conjugated organogelator: a complex interplay between hydrogen bonding and heterocycle π-stacking","Journal of Materials Chemistry C","2019","7","42","13120","","10.1039/C9TC04402G","","","1.54178","CuKα","","0.1464","0.0762","","","0.1924","0.2371","","","","","","1.03","","","","has coordinates,has disorder","238817","2020-10-21","18:00:00",""
"7237993","10.075","0.0004","14.646","0.0005","15.682","0.0006","82.593","0.003","78.874","0.003","82.281","0.003","2237.29","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","3g in manuscript","","- C62 H64 -","- C62 H64 -","- C124 H128 -","2","1","","Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana","The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes","Journal of Materials Chemistry C","2019","7","43","13493","","10.1039/C9TC04470A","","","1.54178","CuKα","","0.095","0.0582","","","0.1454","0.1667","","","","","","1.028","","","","has coordinates","238819","2020-10-21","18:00:00",""
"7237994","9.9846","0.0009","15.2085","0.0014","15.4812","0.0014","101.68","0.003","95.697","0.003","108.613","0.003","2147.5","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H49 Cl3 -","- C55 H49 Cl3 -","- C110 H98 Cl6 -","2","1","","Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana","The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes","Journal of Materials Chemistry C","2019","7","43","13493","","10.1039/C9TC04470A","","","0.71073","MoKα","","0.1739","0.0787","","","0.1912","0.249","","","","","","1.022","","","","has coordinates,has disorder","238819","2020-10-21","18:00:00",""
"7237995","9.7669","0.0007","15.3758","0.0011","17.385","0.0012","73.683","0.002","85.076","0.002","71.659","0.002","2378.3","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H57 Cl3 -","- C59 H57 Cl3 -","- C118 H114 Cl6 -","2","1","","Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana","The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes","Journal of Materials Chemistry C","2019","7","43","13493","","10.1039/C9TC04470A","","","0.71073","MoKα","","0.1654","0.0725","","","0.1862","0.2403","","","","","","1.04","","","","has coordinates,has disorder","238819","2020-10-21","18:00:00",""
"7237996","8.4013","0.0003","8.2","0.0003","29.0071","0.0012","90","","90","","90","","1998.32","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Br4 N2 Pb S2 -","- C10 H22 Br4 N2 Pb S2 -","- C40 H88 Br16 N8 Pb4 S8 -","4","0.5","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0655","0.0433","","","0.0892","0.0965","","","","","","1.124","","","","has coordinates","238823","2020-10-21","18:00:00",""
"7237997","7.6733","0.0004","7.6733","0.0004","32.33","0.003","90","","90","","90","","1903.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2.67 H4.8 Cl1.07 N0.53 Pb0.27 S0.53 -","- C2.66667 H4.8 Cl1.06667 N0.533333 Pb0.266667 S0.533333 -","- C40 H72 Cl16 N8 Pb4 S8 -","15","1.875","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0374","0.0337","","","0.0707","0.0719","","","","","","1.195","","","","has coordinates","238823","2020-10-21","18:00:00",""
"7237998","29.051","0.002","8.6982","0.0006","8.7096","0.0006","90","","90","","90","","2200.8","0.3","212","","212.01","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C31.45 I8 N8 Pb2 S0.55 -","- C31.44 I8 N8 Pb2 S0.56 -","- C62.88 I16 N16 Pb4 S1.12 -","2","0.125","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","x-ray","0.71073","MoKα","","0.0456","0.0408","","","0.0798","0.0813","","","","","","1.291","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7237999","32.397","0.007","7.7997","0.0013","7.7943","0.0014","90","","90","","90","","1969.5","0.6","415","","415","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C21.28 Cl8 N4 Pb2 S2.72 -","- C21.28 Cl8 N4 Pb2 S2.72 -","- C42.56 Cl16 N8 Pb4 S5.44 -","2","0.125","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0488","0.0291","","","0.0687","0.0767","","","","","","1.107","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7238000","8.81","0.002","8.678","0.0019","28.972","0.006","90","","90","","90","","2215","0.8","298","2","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10.71 H24.71 I4 N2 Pb S1.29 -","- C10.52 H18 I4 N2 Pb S1.48 -","- C42.08 H72 I16 N8 Pb4 S5.92 -","4","0.5","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","x-ray","0.71076","MoKα","","0.0889","0.062","","","0.1322","0.1412","","","","","","1.249","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7238001","9.7794","0.0002","9.5115","0.0002","23.9482","0.0005","90","","101.228","0.002","90","","2184.95","0.08","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","2","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.0566","0.0479","","","0.1317","0.139","","","","","","1.046","","","","has coordinates","238826","2020-10-21","18:00:00",""
"7238002","19.8069","0.001","5.4313","0.0003","19.6647","0.0009","90","","102.555","0.004","90","","2064.89","0.18","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.108","0.0762","","","0.2167","0.2471","","","","","","1.051","","","","has coordinates","238826","2020-10-21","18:00:00",""
"7238003","9.6841","0.0001","9.4043","0.0001","51.7692","0.0006","90","","90.918","0.001","90","","4714.13","0.09","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","2","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.0487","0.0424","","","0.1066","0.1105","","","","","","1.041","","","","has coordinates","238826","2020-10-21","18:00:00",""
"7238004","12.5354","0.0008","14.1497","0.0009","35.992","0.002","90","","90","","90","","6384","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","PI33PPCz","","","- C45 H29 N3 -","- C45 H29 N3 -","- C360 H232 N24 -","8","1","","Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue","Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole‒phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices","Journal of Materials Chemistry C","2019","7","43","13486","","10.1039/C9TC04522H","","","0.71073","MoKα","","0.0876","0.0558","","","0.0978","0.1094","","","","","","1.07","","","","has coordinates","238828","2020-10-21","18:00:00",""
"7238005","10.052","0.002","14.186","0.003","21.411","0.004","90","","91.84","0.03","90","","3051.6","1.1","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PI22PPCz","","","- C45 H29 N3 -","- C45 H29 N3 -","- C180 H116 N12 -","4","1","","Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue","Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole‒phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices","Journal of Materials Chemistry C","2019","7","43","13486","","10.1039/C9TC04522H","","","0.71073","MoKα","","0.13","0.065","","","0.1363","0.1627","","","","","","1.039","","","","has coordinates","238828","2020-10-21","18:00:00",""
"7238006","10.3324","0.0004","14.334","0.0005","26.1832","0.001","77.029","0.002","80.766","0.002","74.062","0.002","3613.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 N3 O2 -","- C49 H39 N3 O2 -","- C196 H156 N12 O8 -","4","2","","Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong","Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","42","13104","","10.1039/C9TC04536H","","","0.71073","MoKα","","0.0772","0.0493","","","0.1009","0.1181","","","","","","1.029","","","","has coordinates","238830","2020-10-21","18:00:00",""
"7238007","11.35","0.02","11.79","0.02","12.45","0.02","111.73","0.04","94.96","0.05","92.64","0.04","1536","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H27 N3 O4 -","- C43 H27 N3 O4 -","- C86 H54 N6 O8 -","2","1","","Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong","Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","42","13104","","10.1039/C9TC04536H","","","0.71073","MoKα","","0.1382","0.0805","","","0.1931","0.2285","","","","","","0.969","","","","has coordinates","238830","2020-10-21","18:00:00",""
"7238008","9.108","0.0005","9.7627","0.0005","20.9805","0.001","97.767","0.002","97.52","0.002","98.633","0.002","1805.61","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 N3 O2 -","- C49 H39 N3 O2 -","- C98 H78 N6 O4 -","2","1","","Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong","Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","42","13104","","10.1039/C9TC04536H","","","0.71073","MoKα","","0.1379","0.1039","","","0.2587","0.2831","","","","","","1.055","","","","has coordinates,has disorder","238830","2020-10-21","18:00:00",""
"7238009","9.0935","0.0006","13.5384","0.001","16.5246","0.0011","66.373","0.003","79.409","0.003","75.388","0.003","1795.7","0.2","296","2","296.38","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H44 F20 Ir2 N14 P2 -","- C64 H44 F20 Ir2 N14 P2 -","- C64 H44 F20 Ir2 N14 P2 -","1","0.5","","Mao, Hui-Ting; Cui, Yang; Li, Guang-Fu; Shan, Guo-Gang; Zeng, Qun-Ying; Li, Fu-Shan; Su, Zhong-Min","Dinuclear Ir(iii) complexes with asymmetrical bridging ligands as highly efficient phosphors for single-layer electroluminescent devices","Journal of Materials Chemistry C","2019","7","43","13461","","10.1039/C9TC04556B","","x-ray","0.71073","MoKα","","0.0791","0.0557","","","0.1185","0.1312","","","","","","1.083","","","","has coordinates","238832","2020-10-21","18:00:00",""
"7238010","3.8774","0.0003","7.2116","0.0006","19.1149","0.0014","88.416","0.006","88.918","0.006","82.032","0.006","529.07","0.07","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2-chloro-9H-thioxanthen-9-one","","- C13 H7 Cl O S -","- C13 H7 Cl O S -","- C26 H14 Cl2 O2 S2 -","2","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","1.54178","CuKα","","0.1033","0.0518","","","0.1203","0.1466","","","","","","0.876","","","","has coordinates","238834","2020-10-21","18:00:00",""
"7238011","15.6308","0.001","3.91","0.0002","15.6582","0.001","90","","100.879","0.002","90","","939.77","0.1","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9H-thioxanthen-9-one","","- C13 H8 O S -","- C12.4989 H8 O0.4989 S0.4989 -","- C49.9956 H32 O1.9956 S1.9956 -","4","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","0.71073","MoKα","","0.0782","0.0573","","","0.1528","0.1689","","","","","","1.093","","","","has coordinates,has disorder","238834","2020-10-21","18:00:00",""
"7238012","3.9237","0.001","7.2727","0.0019","19.173","0.005","88.393","0.004","88.616","0.004","82.487","0.004","542.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-9H-thioxanthen-9-one","","- C13 H0 Br O S -","- C13 Br O S -","- C26 Br2 O2 S2 -","2","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","0.71073","MoKα","","0.0837","0.0654","","","0.1792","0.1913","","","","","","1.023","","","","has coordinates","238834","2020-10-21","18:00:00",""
"7238013","4.1712","0.0003","6.1807","0.0004","43.775","0.003","90","","90","","90","","1128.56","0.13","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-iodo-9H-thioxanthen-9-one","","- C13 H7 I O S -","- C52 H28 I4 O4 S4 -","- C52 H28 I4 O4 S4 -","1","0.25","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","1.54178","CuKα","","0.0647","0.0599","","","0.1506","0.154","","","","","","1.043","","","","has coordinates","238834","2020-10-21","18:00:00",""
"7238014","10.8799","0.0007","13.3532","0.0008","17.0824","0.001","101.465","0.005","97.263","0.005","109.371","0.006","2244.3","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","2","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1014","0.0603","","","0.1315","0.1608","","","","","","1.045","","","","has coordinates,has disorder","238837","2020-10-21","18:00:00",""
"7238015","22.789","0.0012","11.8841","0.0007","38.1493","0.0018","90","","104.566","0.005","90","","9999.8","0.9","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H31 N O2 -","- C33 H31 N O2 -","- C528 H496 N16 O32 -","16","4","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1294","0.073","","","0.1444","0.1876","","","","","","1.036","","","","has coordinates","238837","2020-10-21","18:00:00",""
"7238016","9.3553","0.0005","25.1617","0.0013","9.5973","0.0005","90","","95.653","0.005","90","","2248.2","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C120 H100 N4 O12 -","4","1","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1184","0.073","","","0.1888","0.222","","","","","","1.063","","","","has coordinates,has disorder","238837","2020-10-21","18:00:00",""
"7238017","12.9046","0.0003","13.7184","0.0003","16.8199","0.0004","94.511","0.002","110.592","0.002","110.126","0.002","2548.76","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","Eu1","","","- C51 H40 Eu F9 O9 P2 -","- C51 H40 Eu F9 O9 P2 -","- C102 H80 Eu2 F18 O18 P4 -","2","1","","Ilmi, Rashid; Khan, Muhammad S.; Sun, Weidong; Zhou, Liang; Wong, Wai-Yeung; Raithby, Paul R.","A single component white electroluminescent device fabricated from a metallo-organic terbium complex","Journal of Materials Chemistry C","2019","7","44","13966","","10.1039/C9TC04653D","","x-ray","0.71073","MoKα","","0.0408","0.0314","","","0.0668","0.0715","","","","","","1.073","","","","has coordinates,has disorder","238839","2020-10-21","18:00:00",""
"7238018","12.9304","0.0003","13.7121","0.0003","16.7959","0.0004","94.449","0.002","110.577","0.002","110.301","0.002","2546.39","0.12","149.6","0.9","149.6","0.9","","","","","","","","6","P -1","-P 1","2","Tb2","","","- C51 H40 F9 O9 P2 Tb -","- C51 H40 F9 O9 P2 Tb -","- C102 H80 F18 O18 P4 Tb2 -","2","1","","Ilmi, Rashid; Khan, Muhammad S.; Sun, Weidong; Zhou, Liang; Wong, Wai-Yeung; Raithby, Paul R.","A single component white electroluminescent device fabricated from a metallo-organic terbium complex","Journal of Materials Chemistry C","2019","7","44","13966","","10.1039/C9TC04653D","","x-ray","0.71073","MoKα","","0.0458","0.0348","","","0.0765","0.0818","","","","","","1.026","","","","has coordinates,has disorder","238839","2020-10-21","18:00:00",""
"7238019","14.018","0.0012","14.018","0.0012","11.1505","0.0019","90","","90","","120","","1897.6","0.4","160","2","160","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Br3 N O7 Zn -","- C16 H37.995 Br3 N O7 Zn -","- C48 H113.985 Br9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Isostructural phase transition and tunable water rotation within a unique solid rotor system","Journal of Materials Chemistry C","2019","7","42","13176","","10.1039/C9TC04765D","","","0.71073","MoKα","","0.0549","0.0534","","","0.1234","0.1247","","","","","","1.136","","","","has coordinates,has disorder","238841","2020-10-21","18:00:00",""
"7238020","14.1219","0.0001","14.1219","0.0001","11.3624","0.0003","90","","90","","120","","1962.4","0.06","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Br3 N O7 Zn -","- C16 H38.0001 Br3 N O7 Zn -","- C48 H114 Br9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Isostructural phase transition and tunable water rotation within a unique solid rotor system","Journal of Materials Chemistry C","2019","7","42","13176","","10.1039/C9TC04765D","","","0.71073","MoKα","","0.0733","0.0429","","","0.1056","0.1184","","","","","","1.01","","","","has coordinates","238841","2020-10-21","18:00:00",""
"7238021","12.9444","0.0006","12.9605","0.0006","20.6567","0.001","88.355","0.004","89.92","0.004","86.34","0.004","3457","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","2","","Zhan, Lisi; Xiang, Yepeng; Chen, Zhanxiang; Wu, Kailong; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Fine-tuning the photophysical properties of thermally activated delayed fluorescent emitters using torsion angles: high performance sky-blue OLEDs","Journal of Materials Chemistry C","2019","7","44","13953","","10.1039/C9TC04804A","","x-ray","1.54184","CuKα","","0.0525","0.0439","","","0.113","0.1194","","","","","","1.045","","","","has coordinates","238843","2020-10-21","18:00:00",""
"7238022","8.5922","0.0008","16.4651","0.0018","23.2456","0.0018","90","","90","","90","","3288.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","1","","Zhan, Lisi; Xiang, Yepeng; Chen, Zhanxiang; Wu, Kailong; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Fine-tuning the photophysical properties of thermally activated delayed fluorescent emitters using torsion angles: high performance sky-blue OLEDs","Journal of Materials Chemistry C","2019","7","44","13953","","10.1039/C9TC04804A","","x-ray","0.71073","MoKα","","0.081","0.0605","","","0.1156","0.1298","","","","","","1.003","","","","has coordinates","238845","2020-10-21","18:00:00",""
"7238023","16.5526","0.0007","32.2692","0.0011","32.7633","0.0011","103.703","0.002","102.725","0.002","100.939","0.002","16034.9","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-1","","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","Self-assembly of luminescent 42-metal lanthanide nanowheels with sensing properties towards metal ions and nitro explosives","Journal of Materials Chemistry C","2019","7","43","13425","","10.1039/C9TC04821A","","","0.71073","MoKα","","0.1649","0.0824","","","0.1869","0.2143","","","","","","0.83","","","","has coordinates","238847","2020-10-21","18:00:00",""
"7238024","16.7518","0.0007","32.1189","0.0011","33.0529","0.0011","104.117","0.002","103.59","0.002","99.196","0.002","16313.4","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-2","","- C280 H378 O238 Sm42 -","- C280 H378 O238 Sm42 -","- C280 H378 O238 Sm42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","Self-assembly of luminescent 42-metal lanthanide nanowheels with sensing properties towards metal ions and nitro explosives","Journal of Materials Chemistry C","2019","7","43","13425","","10.1039/C9TC04821A","","","0.71073","MoKα","","0.1202","0.0972","","","0.2432","0.2673","","","","","","1.095","","","","has coordinates","238847","2020-10-21","18:00:00",""
"7238025","8.0052","0.0008","10.0066","0.0009","15.6982","0.0014","90","","100.691","0.004","90","","1235.7","0.2","313","2","313","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","1","","Yao, Zhi-Yuan; Qian, Yin; Ren, Qiu; Zhang, Guo-Qin; Zhang, Jin; Liu, Wen-Long; Luo, Hong-Bin; Ren, Xiao-Ming","Order‒disorder transformation of intercalated cations triggering huge negative thermal expansion, switchable dielectrics and ion conduction near room temperature in a 2D vanadium oxide hybrid","Journal of Materials Chemistry C","2019","7","42","13243","","10.1039/C9TC04911H","","","0.71073","MoKα","","0.0895","0.052","","","0.1175","0.1309","","","","","","1.1","","","","has coordinates","238849","2020-10-21","18:00:00",""
"7238026","7.9959","0.0011","10.0451","0.0011","15.538","0.002","90","","103.935","0.004","90","","1211.3","0.3","330","2","330.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","0.5","","Yao, Zhi-Yuan; Qian, Yin; Ren, Qiu; Zhang, Guo-Qin; Zhang, Jin; Liu, Wen-Long; Luo, Hong-Bin; Ren, Xiao-Ming","Order‒disorder transformation of intercalated cations triggering huge negative thermal expansion, switchable dielectrics and ion conduction near room temperature in a 2D vanadium oxide hybrid","Journal of Materials Chemistry C","2019","7","42","13243","","10.1039/C9TC04911H","","","0.71073","MoKα","","0.0631","0.0463","","","0.1001","0.1057","","","","","","1.101","","","","has coordinates,has disorder","238849","2020-10-21","18:00:00",""
"7238027","7.7604","0.0009","14.5145","0.0016","18.046","0.002","69.651","0.011","79.985","0.011","86.698","0.009","1876.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 S2 Si2 -","- C36 H46 N4 S2 Si2 -","- C72 H92 N8 S4 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","","1.54178","CuKα","","0.1303","0.0845","","","0.2516","0.3184","","","","","","1.029","","","","has coordinates","238855","2020-10-21","18:00:00",""
"7238028","10.7016","0.0009","12.967","0.001","13.0146","0.001","79.414","0.002","72.908","0.002","87.393","0.003","1696.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H48 N2 O Si2 -","- C37 H48 N2 O Si2 -","- C74 H96 N4 O2 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","","0.71073","MoKα","","0.1127","0.0697","","","0.1626","0.1893","","","","","","1.037","","","","has coordinates","238857","2020-10-21","18:00:00",""
"7238029","8.2528","0.0005","14.9237","0.0012","17.2022","0.0012","87.976","0.006","79.647","0.005","85.341","0.006","2076.8","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 N2 O Si2 -","- C45 H51 N2 O Si2 -","- C90 H102 N4 O2 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","x-ray","1.54178","CuKα","","0.1068","0.0736","","","0.2164","0.2625","","","","","","1.03","","","","has coordinates,has disorder","238859","2020-10-21","18:00:00",""
"7238030","35.3121","0.0018","7.9802","0.0004","26.6542","0.0012","90","","99.715","0.004","90","","7403.4","0.6","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 N2 O Si2 -","- C41 H50 N2 O Si2 -","- C328 H400 N16 O8 Si16 -","8","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","x-ray","1.54184","CuKα","","0.0479","0.0439","","","0.1178","0.1211","","","","","","1.052","","","","has coordinates","238861","2020-10-21","18:00:00",""
"7238031","8.0685","0.0005","14.3842","0.0011","18.1853","0.0011","67.428","0.006","79.859","0.005","81.38","0.006","1910.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 N4 O S Si2 -","- C37 H46 N4 O S Si2 -","- C74 H92 N8 O2 S2 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","","1.54178","CuKα","","0.1019","0.0743","","","0.2295","0.2712","","","","","","1.046","","","","has coordinates","238863","2020-10-21","18:00:00",""
"7238032","6.6078","0.0007","14.9482","0.0015","16.8745","0.0018","96.078","0.004","95.431","0.005","102.535","0.004","1606","0.3","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 F4 N6 O4 S2 -","- C72 H76 F4 N6 O4 S2 -","- C72 H76 F4 N6 O4 S2 -","1","0.5","","Zhou, Qian; Jiang, Yu; Du, Tian; Wang, Zhongli; Liang, Ziqi; Han, Yang; Deng, Yunfeng; Tian, Hongkun; Geng, Yanhou","Diketopyrrolopyrrole-based small molecules for solution-processed n-channel organic thin film transistors","Journal of Materials Chemistry C","2019","7","44","13939","","10.1039/C9TC05038H","","","1.34139","GaKα","","0.1078","0.0732","","","0.2127","0.245","","","","","","1.045","","","","has coordinates","238865","2020-10-21","18:00:00",""
"7238033","12.265","0.004","9.76","0.003","26.828","0.009","90","","102.119","0.006","90","","3139.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 B N2 O2 -","- C37 H37 B N2 O2 -","- C148 H148 B4 N8 O8 -","4","1","","Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen","Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence","Journal of Materials Chemistry C","2019","7","44","13759","","10.1039/C9TC05218F","","","0.71073","MoKα","","0.1009","0.0584","","","0.1435","0.1745","","","","","","1.065","","","","has coordinates,has disorder","238870","2020-10-21","18:00:00",""
"7238034","28.0786","0.0007","9.9927","0.0002","20.671","0.0004","90","","104.841","0.002","90","","5606.4","0.2","292.6","0.6","292.6","0.6","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C33H31BN2O3","","- C33 H29 B N2 O3 -","- C33 H29 B N2 O3 -","- C264 H232 B8 N16 O24 -","8","1","","Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen","Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence","Journal of Materials Chemistry C","2019","7","44","13759","","10.1039/C9TC05218F","","x-ray","1.54184","CuKα","","0.0891","0.0831","","","0.2603","0.2702","","","","","","1.043","","","","has coordinates","238872","2020-10-21","18:00:00",""
"7238035","10.253","0.0019","10.807","0.002","14.406","0.003","77.441","0.003","89.437","0.003","80.778","0.003","1537.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 B N2 O2 -","- C37 H37 B N2 O2 -","- C74 H74 B2 N4 O4 -","2","1","","Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen","Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence","Journal of Materials Chemistry C","2019","7","44","13759","","10.1039/C9TC05218F","","","0.71073","MoKα","","0.0682","0.0519","","","0.1553","0.1771","","","","","","1.034","","","","has coordinates","238874","2020-10-21","18:00:00",""
"7238036","11.9377","0.0003","9.3838","0.0002","19.0539","0.0005","90","","90.192","0.002","90","","2134.42","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Br6 Cu N2 -","- C10 H26 Br6 Cu N2 -","- C40 H104 Br24 Cu4 N8 -","4","1","","Sui, Yan; Zhong, Ye-Shun; Wang, Jing-Jing; Xia, Qin; Wang, Liang-Jun; Liu, Dong-Sheng","A semiconducting organic‒inorganic hybrid ([BrCH2CH2N(CH3)3]2+[CuBr4]2−) with switchable dielectric properties derived from an unusual piston-like displacive movement","Journal of Materials Chemistry C","2019","7","45","14294","","10.1039/C9TC05328J","","","0.71073","MoKα","","0.064","0.0378","","","0.0704","0.0763","","","","","","0.955","","","","has coordinates","238876","2020-10-21","18:00:00",""
"7238037","11.9733","0.0016","9.414","0.002","19.243","0.003","90","","90.089","0.013","90","","2169","0.6","363","0.1","363","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Br6 Cu N2 -","- C10 H26 Br6 Cu N2 -","- C40 H104 Br24 Cu4 N8 -","4","1","","Sui, Yan; Zhong, Ye-Shun; Wang, Jing-Jing; Xia, Qin; Wang, Liang-Jun; Liu, Dong-Sheng","A semiconducting organic‒inorganic hybrid ([BrCH2CH2N(CH3)3]2+[CuBr4]2−) with switchable dielectric properties derived from an unusual piston-like displacive movement","Journal of Materials Chemistry C","2019","7","45","14294","","10.1039/C9TC05328J","","","0.71073","MoKα","","0.223","0.0798","","","0.1082","0.1458","","","","","","0.923","","","","has coordinates","238876","2020-10-21","18:00:00",""
"7238038","13.295","0.0007","16.9126","0.001","33.4253","0.0019","94.049","0.002","96.201","0.002","90.124","0.002","7452.8","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H26 N4 O -","- C43 H26 N4 O -","- C344 H208 N32 O8 -","8","4","","Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue","Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties","Journal of Materials Chemistry C","2019","7","45","14255","","10.1039/C9TC05368A","","","0.71073","MoKα","","0.0987","0.0596","","","0.1446","0.1577","","","","","","1.065","","","","has coordinates","238878","2020-10-21","18:00:00",""
"7238039","38.7107","0.0019","11.7637","0.0006","21.4913","0.001","90","","98.148","0.003","90","","9687.9","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H58 N4 O -","- C59 H58 N4 O -","- C472 H464 N32 O8 -","8","1","","Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue","Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties","Journal of Materials Chemistry C","2019","7","45","14255","","10.1039/C9TC05368A","","","0.71073","MoKα","","0.0758","0.0509","","","0.1037","0.1142","","","","","","1.015","","","","has coordinates","238878","2020-10-21","18:00:00",""
"7238048","4.7211","0.0018","13.737","0.005","15.384","0.006","77.216","0.014","86.717","0.015","85.596","0.018","969.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N8 O4 -","- C46 H54 N8 O4 -","- C46 H54 N8 O4 -","1","0.5","","Huang, Yunping; Liu, Yun; Sommerville, Parker J. W.; Kaminsky, Werner; Ginger, David S.; Luscombe, Christine K.","Theobromine and direct arylation: a sustainable and scalable solution to minimize aggregation caused quenching","Green Chemistry","2019","","","","","10.1039/C9GC03391B","","x-ray","0.71073","MoKα","","0.2578","0.0753","","","0.14","0.1999","","","","","","0.915","","","","has coordinates","242692","2020-10-21","18:00:00",""
"7238049","21.6","0.0016","12.9539","0.001","8.945","0.0006","90","","90.508","0.004","90","","2502.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 O2 -","- C31 H32 N4 O2 -","- C124 H128 N16 O8 -","4","1","","Huang, Yunping; Liu, Yun; Sommerville, Parker J. W.; Kaminsky, Werner; Ginger, David S.; Luscombe, Christine K.","Theobromine and direct arylation: a sustainable and scalable solution to minimize aggregation caused quenching","Green Chemistry","2019","","","","","10.1039/C9GC03391B","","x-ray","0.71073","MoKα","","0.0687","0.0442","","","0.1041","0.1184","","","","","","1.02","","","","has coordinates","242692","2020-10-21","18:00:00",""
"7238050","11.4759","0.0007","23.1694","0.0015","14.5016","0.001","90","","111.004","0.003","90","","3599.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H98 N16 O8 -","- C76 H98 N16 O8 -","- C152 H196 N32 O16 -","2","0.5","","Huang, Yunping; Liu, Yun; Sommerville, Parker J. W.; Kaminsky, Werner; Ginger, David S.; Luscombe, Christine K.","Theobromine and direct arylation: a sustainable and scalable solution to minimize aggregation caused quenching","Green Chemistry","2019","","","","","10.1039/C9GC03391B","","x-ray","0.71073","MoKα","","0.0784","0.0451","","","0.104","0.1212","","","","","","1.021","","","","has coordinates","242692","2020-10-21","18:00:00",""
"7238051","12.717","0.003","16.73","0.003","27.427","0.006","90","","90","","90","","5835","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N7 O12 Zn2 -","- C31 H22 N7 O12 Zn2 -","- C124 H88 N28 O48 Zn8 -","4","1","","Di, Ling; Xia, Zhengqiang; Li, Jian; Geng, Zhongxing; Li, Chun; Xing, Yang; Yang, Zhanxu","Selective sensing and visualization of pesticides by ABW-type metal‒organic framework based luminescent sensors","RSC Advances","2019","9","66","38469","","10.1039/C9RA08940C","","","0.71073","MoKα","","0.0722","0.0667","","","0.186","0.1896","","","","","","1.063","","","","has coordinates","242921","2020-10-21","18:00:00",""
"7238052","20.554","0.002","7.7056","0.0008","23.283","0.003","90","","90","","90","","3687.6","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H34 N10 O4 -","- C44 H34 N10 O4 -","- C176 H136 N40 O16 -","4","1","","Yang, Ruchun; Deng, Si; Dong, Xiang-you; Song, Xianrong; Cai, Hu; Bai, Jiang; Xiao, Qiang","Metal-free synthesis of 1,N6-ethenoadenines from N6-propargyl-adenines via NIS mediated radical cascade reaction","RSC Advances","2019","9","66","38897","","10.1039/C9RA09198J","","","0.71073","MoKα","","0.1028","0.0671","","","0.1531","0.173","","","","","","1.096","","","","has coordinates","243772","2020-10-21","18:00:00",""
"7238053","9.0115","0.0015","10.9375","0.0017","17.301","0.003","94.82","0.003","100.924","0.003","92.663","0.003","1665","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Co N7 O6 -","- C38 H27 Co N7 O6 -","- C76 H54 Co2 N14 O12 -","2","1","","Tang, Long; Wang, Huan-Huan; Fu, Yu-Hao; Wang, Yi-Tong; Wang, JiJiang; Hou, XiangYang","Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies","RSC Advances","2019","9","66","38902","","10.1039/C9RA07737E","","","0.71073","MoKα","","0.051","0.0397","","","0.1113","0.1167","","","","","","1.062","","","","has coordinates","243773","2020-10-21","18:00:00",""
"7238054","8.571","0.002","11.968","0.003","16.874","0.004","91.273","0.003","103.657","0.003","95.169","0.003","1673.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H29 Co N7 O7 -","- C38 H29 Co N7 O7 -","- C76 H58 Co2 N14 O14 -","2","1","","Tang, Long; Wang, Huan-Huan; Fu, Yu-Hao; Wang, Yi-Tong; Wang, JiJiang; Hou, XiangYang","Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies","RSC Advances","2019","9","66","38902","","10.1039/C9RA07737E","","","0.71073","MoKα","","0.066","0.0498","","","0.1302","0.1417","","","","","","1.033","","","","has coordinates","243773","2020-10-21","18:00:00",""
"7238055","10.004","0.002","14.689","0.004","15.139","0.004","71.253","0.004","87.999","0.004","89.725","0.004","2105.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H34 Co N8 O7 -","- C45 H34 Co N8 O7 -","- C90 H68 Co2 N16 O14 -","2","1","","Tang, Long; Wang, Huan-Huan; Fu, Yu-Hao; Wang, Yi-Tong; Wang, JiJiang; Hou, XiangYang","Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies","RSC Advances","2019","9","66","38902","","10.1039/C9RA07737E","","","0.71073","MoKα","","0.0564","0.0438","","","0.1098","0.1225","","","","","","1.036","","","","has coordinates","243773","2020-10-21","18:00:00",""
"7238056","10.9812","0.0006","11.0146","0.0006","13.6821","0.0008","105.918","0.002","94.241","0.002","92.164","0.002","1584.17","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N3 O2 -","- C40 H35 N3 O2 -","- C80 H70 N6 O4 -","2","1","","Muthukumar, Venkatesan; Munusamy, Sathishkumar; Thirumoorthy, Krishnan; Sawminathan, Sathish; KulathuIyer, Sathiyanarayanan","Fused pyrazole-phenanthridine based dyads: synthesis, photo-physical and theoretical studies, and live cell pH imaging","RSC Advances","2019","9","66","38687","","10.1039/C9RA07860F","","","0.71073","MoKα","","0.0771","0.0476","","","0.1204","0.1481","","","","","","1.068","","","","has coordinates","243774","2020-10-21","18:00:00",""
"7238057","14.0942","0.001","11.0705","0.0008","17.449","0.0012","90","","91.14","0.002","90","","2722","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N3 -","- C36 H28 N3 -","- C144 H112 N12 -","4","1","","Muthukumar, Venkatesan; Munusamy, Sathishkumar; Thirumoorthy, Krishnan; Sawminathan, Sathish; KulathuIyer, Sathiyanarayanan","Fused pyrazole-phenanthridine based dyads: synthesis, photo-physical and theoretical studies, and live cell pH imaging","RSC Advances","2019","9","66","38687","","10.1039/C9RA07860F","","","0.71073","MoKα","","0.1315","0.065","","","0.145","0.1975","","","","","","1.052","","","","has coordinates","243774","2020-10-21","18:00:00",""
"7238058","28.4498","0.0019","7.439","0.0005","17.7851","0.0012","90","","125.191","0.002","90","","3076.1","0.4","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cd I2 N2 -","- C34 H26 Cd I2 N2 -","- C136 H104 Cd4 I8 N8 -","4","0.5","","Dutta, Basudeb; Purkait, Rakesh; Bhunia, Suprava; Khan, Samim; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","Selective detection of trinitrophenol by a Cd(ii)-based coordination compound","RSC Advances","2019","9","66","38718","","10.1039/C9RA08614E","","","0.71073","MoKα","","0.0387","0.0329","","","0.0887","0.0957","","","","","","1.088","","","","has coordinates","243775","2020-10-21","18:00:00",""
"7238060","13.077","0.007","14.235","0.006","23.698","0.01","90","","90","","90","","4411","4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H25 Cl4 N3 Ru S -","- C17 H25 Cl4 N3 Ru S -","- C136 H200 Cl32 N24 Ru8 S8 -","8","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.1343","0.0816","","","0.1567","0.1763","","","","","","1.082","","","","has coordinates,has disorder","243811","2020-10-21","18:00:00",""
"7238061","10.6918","0.0018","14.539","0.002","26.597","0.004","90","","90","","90","","4134.5","1.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl2 N3 Ru S -","- C18 H27 Cl2 N3 Ru S -","- C144 H216 Cl16 N24 Ru8 S8 -","8","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0426","0.0284","","","0.0563","0.061","","","","","","1.04","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7238062","10.398","0.002","12.551","0.003","13.766","0.005","90","","90","","90","","1796.5","0.9","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl N3 O2 Ru S -","- C15 H22 Cl N3 O2 Ru S -","- C60 H88 Cl4 N12 O8 Ru4 S4 -","4","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0655","0.0441","","","0.0829","0.0906","","","","","","1.037","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7238063","10.6196","0.0018","12.7321","0.0017","14.8584","0.0015","90","","107.98","0.011","90","","1910.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N3 O Ru S -","- C20 H22 Cl N3 O Ru S -","- C80 H88 Cl4 N12 O4 Ru4 S4 -","4","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0672","0.04","","","0.0776","0.086","","","","","","1.019","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7239600","9.9965","0.0005","16.562","0.001","18.7532","0.0011","90","","90","","90","","3104.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir dihydrate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4- ((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1- phenylbutan-2-yl)carbamate dihydrate","","- C27 H41 N3 O9 S -","- C27 H41 N3 O9 S -","- C108 H164 N12 O36 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.0748","0.0478","","","0.106","0.1225","","","","","","1.011","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239601","9.9846","0.0005","16.6017","0.001","19.0274","0.001","90","","90","","90","","3154","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir ethanol solvate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ethanol solvate","","- C29 H43 N3 O8 S -","- C29 H43 N3 O8 S -","- C116 H172 N12 O32 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.1451","0.0923","","","0.1391","0.1592","","","","","","1.103","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239606","11.9804","0.0014","13.438","0.0013","21.0607","0.0017","90","","97.313","0.011","90","","3363","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N8 O8.5 Zn -","- C32 H29 N7 O2 Zn -","- C128 H116 N28 O8 Zn4 -","4","1","","Huo, Jianqiang; Yu, Donghui; Li, Haiqiang; Luo, Bingcai; Arulsamy, Navamoney","Mechanistic investigation of photocatalytic degradation of organic dyes by a novel zinc coordination polymer","RSC Advances","2019","9","67","39323","","10.1039/C9RA07821E","","","0.71073","MoKα","","0.2105","0.0854","","","0.1655","0.235","","","","","","0.957","","","","has coordinates","244825","2020-10-21","18:00:00",""
"7239607","8.38","0.02","11.88","0.03","13.55","0.04","71.08","0.03","78.98","0.03","75.76","0.03","1228","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 O3 S Si2 -","- C26 H24 O3 S Si2 -","- C52 H48 O6 S2 Si4 -","2","1","","Xiao, Peng; Su, Shikuan; Wang, Wei; Cao, Weiguo; Chen, Jie; Li, Jian; Chen, Yali","Sequential cycloaddition and ring expansion reaction of arynes and methylenebenzothiopheneones: synthesis of a benzo-fused eight-membered ring via sulfonium ylides","RSC Advances","2019","9","67","39119","","10.1039/C9RA09332J","","","0.71073","MoKα","","0.0624","0.0429","","","0.1381","0.1739","","","","","","1.078","","","","has coordinates","244826","2020-10-21","18:00:00",""
"7239608","10.329","0.005","17.205","0.007","15.111","0.007","90","","99.615","0.005","90","","2648","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O4 S Si2 -","- C27 H26 O4 S Si2 -","- C108 H104 O16 S4 Si8 -","4","1","","Xiao, Peng; Su, Shikuan; Wang, Wei; Cao, Weiguo; Chen, Jie; Li, Jian; Chen, Yali","Sequential cycloaddition and ring expansion reaction of arynes and methylenebenzothiopheneones: synthesis of a benzo-fused eight-membered ring via sulfonium ylides","RSC Advances","2019","9","67","39119","","10.1039/C9RA09332J","","","0.71073","MoKα","","0.0468","0.0406","","","0.1072","0.1133","","","","","","1.019","","","","has coordinates","244826","2020-10-21","18:00:00",""
"7239609","8.4936","0.0015","9.6878","0.0017","11.232","0.0019","102.855","0.002","100.713","0.0018","107.846","0.003","824.9","0.2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0329","0.0303","","","0.0664","0.0692","","","","","","1.034","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239610","8.824","0.002","9.767","0.002","12.01","0.003","97.017","0.0016","104.879","0.003","115.3","0.003","872","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0472","0.0338","","","0.0863","0.0956","","","","","","1.046","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239611","8.3748","0.0002","9.6561","0.0002","11.1482","0.0007","102.586","0.0007","100.651","0.0007","107.601","0.0007","807.64","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","2","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.68691","synchrotron","","0.016","0.016","","","0.044","0.0441","","","","","","1.026","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239612","8.5223","0.0019","9.665","0.002","11.255","0.003","102.807","0.003","100.659","0.002","107.876","0.003","827.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0292","0.0266","","","0.0639","0.066","","","","","","1.098","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239613","8.8044","0.0016","9.7839","0.0017","11.882","0.002","97.226","0.002","104.52","0.002","115.868","0.003","858.5","0.3","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","2","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0343","0.0285","","","0.0562","0.0597","","","","","","1.039","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239614","8.5359","0.0002","9.6656","0.0002","11.2585","0.0007","102.844","0.0007","100.667","0.0007","107.825","0.0007","829.48","0.06","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.6875","synchrotron","","0.0311","0.028","","","0.079","0.0814","","","","","","1.044","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239615","4.8002","0.0003","8.5129","0.0005","11.2407","0.0007","102.13","0.0009","101.726","0.001","104.523","0.0011","418.54","0.04","375","","375","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","1","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.6875","synchrotron","","0.0424","0.04","","","0.1066","0.1094","","","","","","1.09","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239616","8.812","0.003","9.795","0.003","11.993","0.003","97.0435","0.0019","105.051","0.004","115.222","0.004","871.5","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.048","0.0348","","","0.0883","0.0999","","","","","","1.092","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239617","8.4976","0.0015","9.6911","0.0017","11.242","0.002","102.877","0.003","100.665","0.002","107.889","0.0017","826.2","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0295","0.0274","","","0.0678","0.0705","","","","","","1.069","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239618","4.8779","0.0002","8.1042","0.0003","11.8636","0.0007","108.473","0.0013","91.2897","0.0017","98.2241","0.0015","439.09","0.04","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","1","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","1","Synchrotron","","0.0395","0.0383","","","0.094","0.0954","","","","","","1.079","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239619","11.211","0.003","18.586","0.005","11.571","0.003","90","","96.437","0.005","90","","2395.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Dy2 N8 O6 -","- C54 H54 Dy2 N8 O6 -","- C108 H108 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","0.71073","MoKα","","0.1139","0.0792","","","0.1834","0.2021","","","","","","1.107","","","","has coordinates","244879","2020-10-21","18:00:00",""
"7239620","12.399","0.003","12.348","0.003","18.779","0.004","90","","98.274","0.004","90","","2845.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Cl4 Dy2 N8 O6 -","- C56 H58 Cl4 Dy2 N8 O6 -","- C112 H116 Cl8 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","0.71073","MoKα","","0.1064","0.0539","","","0.1279","0.1622","","","","","","1.004","","","","has coordinates","244879","2020-10-21","18:00:00",""
"7239621","12.54","0.002","13.764","0.002","18.544","0.003","90","","98.178","0.003","90","","3168.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cl6 Dy2 N8 O8 -","- C60 H60 Cl6 Dy2 N8 O8 -","- C120 H120 Cl12 Dy4 N16 O16 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","0.71073","MoKα","","0.1042","0.0517","","","0.0889","0.1056","","","","","","0.98","","","","has coordinates","244879","2020-10-21","18:00:00",""
"7239622","11.675","0.002","12.589","0.002","13.298","0.002","64.222","0.003","84.541","0.003","65.307","0.003","1590.1","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Cl6 Dy2 N8 O8 -","- C62 H64 Cl6 Dy2 N8 O8 -","- C62 H64 Cl6 Dy2 N8 O8 -","1","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","244879","2020-10-21","18:00:00",""
"7239623","15.661","0.004","13.297","0.003","23.29","0.005","90","","108.66","0.003","90","","4595.1","1.9","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H16.5 Br Cd N3.5 O5.5 -","- C19.5 H16.5 Br Cd N3.5 O5.5 -","- C156 H132 Br8 Cd8 N28 O44 -","8","1","","Jia, Lei; Xue, Zhe; Zhu, Rong-Rong; Yan, Tong; Wang, Yu-Na; Zhang, Suo-Shu; Geng, Xiao; Du, Lin; Zhao, Qi-Hua","A novel fluorescence phenomenon caused by amine induced ion-exchange between Cd2+ and Fe3+ ions","RSC Advances","2019","9","68","39854","","10.1039/C9RA07559C","","","0.71073","MoKα","","0.0724","0.0451","","","0.115","0.1299","","","","","","1.049","","","","has coordinates,has disorder","244880","2020-10-21","18:00:00",""
"7239624","14.34","0.002","18.918","0.003","16.582","0.003","90","","100.615","0.002","90","","4421.5","1.2","298","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br Cd N2 O5 -","- C21 H19 Br Cd N2 O5 -","- C168 H152 Br8 Cd8 N16 O40 -","8","1","","Jia, Lei; Xue, Zhe; Zhu, Rong-Rong; Yan, Tong; Wang, Yu-Na; Zhang, Suo-Shu; Geng, Xiao; Du, Lin; Zhao, Qi-Hua","A novel fluorescence phenomenon caused by amine induced ion-exchange between Cd2+ and Fe3+ ions","RSC Advances","2019","9","68","39854","","10.1039/C9RA07559C","","","0.71073","MoKα","","0.062","0.035","","","0.0729","0.0821","","","","","","1.025","","","","has coordinates","244880","2020-10-21","18:00:00",""
"7239631","8.9151","0.001","9.6712","0.0011","15.8118","0.0017","72.76","0.003","83.325","0.003","76.504","0.003","1264.5","0.2","120","2","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","1","","Velezheva, V. S.; Babii, O. L.; Khodak, A. A.; Alekseeva, E. A.; Nelyubina, Yu V.; Godovikov, I. A.; Peregudov, A. S.; Majorov, K. B.; Nikonenko, B. V.","Novel base-initiated cascade reactions of hemiindigos to produce dipolar γ-carbolines and indole-fused pentacycles","RSC Advances","2019","9","71","41402","","10.1039/C9RA07807J","","","0.71073","MoKα","","0.11","0.0592","","","0.1406","0.1645","","","","","","0.8751","","","","has coordinates,has disorder","245190","2020-10-21","18:00:00",""
"7239632","11.336","0.0008","6.3863","0.0004","15.8956","0.0011","90","","95.678","0.002","90","","1145.12","0.13","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Velezheva, V. S.; Babii, O. L.; Khodak, A. A.; Alekseeva, E. A.; Nelyubina, Yu V.; Godovikov, I. A.; Peregudov, A. S.; Majorov, K. B.; Nikonenko, B. V.","Novel base-initiated cascade reactions of hemiindigos to produce dipolar γ-carbolines and indole-fused pentacycles","RSC Advances","2019","9","71","41402","","10.1039/C9RA07807J","","","0.71073","MoKα","","0.0848","0.0521","","","0.0855","0.1016","","","","","","1.0335","","","","has coordinates","245190","2020-10-21","18:00:00",""
"7239633","24.775","0.002","25.959","0.002","18.608","0.0017","90","","114.51","0.002","90","","10889","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C122 H150 N8 O15 -","- C122 H150 N8 O15 -","- C488 H600 N32 O60 -","4","0.5","","An, Lin; Liu, Jia-dong; Peng, Xian-na; Zheng, You-guang; Wang, Chan; Huang, Tong-hui","Preparation and in vitro bioactivity evaluation of N-heterocyclic-linked dihomooxacalix[4]arene derivatives","RSC Advances","2019","9","70","41287","","10.1039/C9RA06876G","","","0.71073","MoKα","","0.1137","0.0671","","","0.1615","0.1859","","","","","","1.028","","","","has coordinates,has disorder","245191","2020-10-21","18:00:00",""
"7239640","10.515","0.002","18.508","0.004","15.602","0.003","90","","106.547","0.003","90","","2910.6","1","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C120 H96 Br8 Cl8 Cu4 N8 O8 -","4","0.5","","Guo, Yaning; Hu, Xiaobing; Zhang, Xinli; Pu, Xiaohua; Wang, Yue","The synthesis of a Cu(ii) Schiff base complex using a bidentate N2O2 donor ligand: crystal structure, photophysical properties, and antibacterial activities","RSC Advances","2019","9","71","41737","","10.1039/C9RA07298E","","","0.71073","MoKα","","0.0422","0.0336","","","0.071","0.0751","","","","","","0.998","","","","has coordinates","245304","2020-10-21","18:00:00",""
"7239641","12.621","0.005","9.092","0.003","13.389","0.005","90","","116.556","0.004","90","","1374.3","0.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br Cl N O -","- C15 H13 Br Cl N O -","- C60 H52 Br4 Cl4 N4 O4 -","4","1","","Guo, Yaning; Hu, Xiaobing; Zhang, Xinli; Pu, Xiaohua; Wang, Yue","The synthesis of a Cu(ii) Schiff base complex using a bidentate N2O2 donor ligand: crystal structure, photophysical properties, and antibacterial activities","RSC Advances","2019","9","71","41737","","10.1039/C9RA07298E","","","0.71073","MoKα","","0.0529","0.0337","","","0.0698","0.074","","","","","","0.999","","","","has coordinates","245304","2020-10-21","18:00:00",""
"7239642","10.2955","0.0004","30.459","0.0009","10.5847","0.0003","90","","111.381","0.004","90","","3090.82","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Cl2 N2 O2 Ti -","- C32 H42 Cl2 N2 O2 Ti -","- C128 H168 Cl8 N8 O8 Ti4 -","4","1","","Li, Sihan; Zhu, Yuqiong; Liang, Huaqing; Xie, Xiuli; Zhan, Yipeng; Liang, Guodong; Zhu, Fangming","The influences of electronic effect and isomerization of salalen titanium(iv) complexes on ethylene polymerization in the presence of methylaluminoxane","RSC Advances","2019","9","71","41824","","10.1039/C9RA08899G","","x-ray","1.54184","CuKα","","0.1164","0.0828","","","0.214","0.2393","","","","","","1.106","","","","has coordinates","245305","2020-10-21","18:00:00",""
"7239643","20.5893","0.0009","9.7299","0.0004","12.9904","0.0006","90","","96.974","0.004","90","","2583.1","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl2 F N2 O2 Ti -","- C25 H33 Cl2 F N2 O2 Ti -","- C100 H132 Cl8 F4 N8 O8 Ti4 -","4","1","","Li, Sihan; Zhu, Yuqiong; Liang, Huaqing; Xie, Xiuli; Zhan, Yipeng; Liang, Guodong; Zhu, Fangming","The influences of electronic effect and isomerization of salalen titanium(iv) complexes on ethylene polymerization in the presence of methylaluminoxane","RSC Advances","2019","9","71","41824","","10.1039/C9RA08899G","","x-ray","0.71073","MoKα","","0.0488","0.0387","","","0.0892","0.0955","","","","","","1.026","","","","has coordinates","245305","2020-10-21","18:00:00",""
"7239644","6.8717","0.0004","7.659","0.0004","14.4338","0.0007","90","","101.854","0.002","90","","743.46","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C32 H30 N2 O12 -","2","1","","Ghosh, Arun K.; Grillo, Alessandro; Kovela, Satish; Brindisi, Margherita","Asymmetric Diels‒Alder reaction of 3-(acyloxy)acryloyl oxazolidinones: optically active synthesis of a high-affinity ligand for potent HIV-1 protease inhibitors","RSC Advances","2019","9","71","41755","","10.1039/C9RA10178K","","","0.71073","MoKα","","0.0549","0.0437","","","0.1107","0.1182","","","","","","1.044","","","","has coordinates","245306","2020-10-21","18:00:00",""
"7239645","9.1771","0.0017","10.3269","0.0014","11.308","0.0012","81.303","0.013","83.59","0.015","74.781","0.011","1019.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Br2 N3 O2 S -","- C21 H17 Br2 N3 O2 S -","- C42 H34 Br4 N6 O4 S2 -","2","1","","Yi, Fengping; Fu, Chao; Sun, Qihui; Wei, Huazhen; Yu, Genfa; Yi, Weiyin","Direct intramolecular double cross-dehydrogentive-coupling (CDC) cyclization of N-(2-pyridyl)amidines under metal-free conditions","RSC Advances","2019","9","72","42172","","10.1039/C9RA09265J","","","1.54178","CuKα","","0.0309","0.0294","","","0.0955","0.0972","","","","","","1.07","","","","has coordinates","245424","2020-10-21","18:00:00",""
"7239663","9.6385","0.0002","12.8687","0.0003","13.4092","0.0003","71.818","0.001","75.224","0.001","74.543","0.001","1495.94","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 N6 O8 Zn -","- C33 H20 N6 O8 Zn -","- C66 H40 N12 O16 Zn2 -","2","1","","Wang, Chang-Sheng; Huang, Qi; Wang, Xia; Zhang, Yu-Tong; Ma, Dong-Sheng; Yu, Ying-Hui; Gao, Jin-Sheng","Three new coordination polymers based on bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane: syntheses, structures, multiresponsive luminescent sensitive detection for antibiotics and pesticides, and antitumor activities","RSC Advances","2019","9","72","42272","","10.1039/C9RA08659E","","","0.71073","MoKα","","0.0407","0.0333","","","0.0887","0.0933","","","","","","1.017","","","","has coordinates","245477","2020-10-21","18:00:00",""
"7239664","24.1943","0.0009","23.8328","0.0009","15.221","0.0006","90","","102.567","0.002","90","","8566.4","0.6","302","2","302","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Ag2 Mo4 N13 O13 -","- C36 H31 Ag2 Mo4 N13 O13 -","- C288 H248 Ag16 Mo32 N104 O104 -","8","1","","Wang, Chang-Sheng; Huang, Qi; Wang, Xia; Zhang, Yu-Tong; Ma, Dong-Sheng; Yu, Ying-Hui; Gao, Jin-Sheng","Three new coordination polymers based on bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane: syntheses, structures, multiresponsive luminescent sensitive detection for antibiotics and pesticides, and antitumor activities","RSC Advances","2019","9","72","42272","","10.1039/C9RA08659E","","","0.71073","MoKα","","0.1479","0.0855","","","0.1978","0.2603","","","","","","1.09","","","","has coordinates","245477","2020-10-21","18:00:00",""
"7239665","16.6171","0.0005","8.1566","0.0002","20.3047","0.0006","90","","110.44","0.001","90","","2578.8","0.13","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cd N6 O2 -","- C21 H16 Cd N6 O2 -","- C84 H64 Cd4 N24 O8 -","4","1","","Wang, Chang-Sheng; Huang, Qi; Wang, Xia; Zhang, Yu-Tong; Ma, Dong-Sheng; Yu, Ying-Hui; Gao, Jin-Sheng","Three new coordination polymers based on bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane: syntheses, structures, multiresponsive luminescent sensitive detection for antibiotics and pesticides, and antitumor activities","RSC Advances","2019","9","72","42272","","10.1039/C9RA08659E","","","0.71073","MoKα","","0.0311","0.0268","","","0.0776","0.0803","","","","","","1.06","","","","has coordinates","245477","2020-10-21","18:00:00",""
"7239733","25.15","0.003","25.15","0.003","14.827","0.0019","90","","90","","90","","9378","2","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C120 H96 O24 -","- C120 H96 O24 -","- C480 H384 O96 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1387","0.0768","","","0.1994","0.2529","","","","","","1.015","","","","has coordinates","246603","2020-10-21","18:00:00",""
"7239734","10.969","0.002","18.363","0.003","19.253","0.004","90","","90","","90","","3878","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 O7 -","- C43 H48 O7 -","- C172 H192 O28 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0957","0.0781","","","0.2232","0.2534","","","","","","1.049","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239735","18.4376","0.0007","18.4376","0.0007","11.2852","0.0005","90","","90","","90","","3836.3","0.3","173","2","173","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O8 -","- C44 H48 O8 -","- C176 H192 O32 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","1.34139","GaKα","","0.0757","0.0736","","","0.2311","0.2331","","","","","","1.075","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239736","16.135","0.003","11.499","0.004","19.456","0.005","90","","90","","90","","3609.8","1.7","273","2","273","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0768","0.0516","","","0.1332","0.1506","","","","","","1.022","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239737","22.208","0.004","21.426","0.004","19.955","0.004","90","","110.64","0.03","90","","8886","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 N4 O4 -","- C44 H44 N4 O4 -","- C352 H352 N32 O32 -","8","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1444","0.0669","","","0.19","0.2278","","","","","","0.941","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239738","26.68","0.006","16.08","0.004","17.734","0.004","90","","111.563","0.003","90","","7076","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74 Cl2 O16 -","- C77 H74 Cl2 O16 -","- C308 H296 Cl8 O64 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1469","0.0937","","","0.281","0.3408","","","","","","1.165","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239739","17.7822","0.0006","17.782","0.002","43.687","0.0013","90","","90","","90","","13814","1.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H32 O8 -","- C44 H32 O8 -","- C704 H512 O128 -","16","2","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1834","0.057","","","0.0714","0.0841","","","","","","1.05","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7247708","13.21653","0.00098","7.88834","0.00064","4.65345","0.00023","91.066","0.0051","87.8402","0.0062","106.538","0.0039","464.74","0.06","294","","294","2","","","1000","","","","","5","P -1","-P 1","2","methylammonium catena-polyphosphate","methylammonium catena-polyphosphate","","- C2 H12 N2 O6 P2 -","- C2 H12 N2 O6 P2 -","- C4 H24 N4 O12 P4 -","2","1","","Mangstl, Martin; Wied, Jan Konrad; Weber, Johannes; Pritzel, Christian; Trettin, Reinhard; Schmedt auf der Günne, Jörn","Synthesis and characterization of methylammonium phosphates as crystalline approximants for anhydrous, low melting phosphate glasses","RSC Advances","2019","9","4","1822","1830","10.1039/C8RA07736C","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.01169","","1.336","","","","","","","has coordinates","287580","2023-11-14","07:35:09",""
"7700000","18.6977","0.0005","13.5431","0.0004","19.4511","0.0006","90","","104.515","0.003","90","","4768.3","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H114 Mg2 N8 O14 P2 -","- C108 H114 Mg2 N8 O14 P2 -","- C216 H228 Mg4 N16 O28 P4 -","2","0.5","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.0529","0.0412","","","0.0984","0.103","","","","","","1.036","","","","has coordinates","215227","2020-10-21","18:00:00",""
"7700001","31.61","0.006","10.344","0.002","23.225","0.005","90","","91.52","0.03","90","","7591","3","119","2","119","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H95 Mg2 N2 O18 P2 -","- C78 H95 Mg2 N2 O18 P2 -","- C312 H380 Mg8 N8 O72 P8 -","4","1","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.168","0.1476","","","0.3547","0.368","","","","","","1.214","","","","has coordinates,has disorder","215227","2020-10-21","18:00:00",""
"7700002","35.8954","0.0011","35.8954","0.0011","17.7162","0.0005","90","","90","","120","","19768.7","1","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C252 H318 Mg6 N12 O54 P6 -","- C252 H318 Mg6 N12 O54 P6 -","- C756 H954 Mg18 N36 O162 P18 -","3","0.166667","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.0703","0.0478","","","0.1115","0.1197","","","","","","1.038","","","","has coordinates","215227","2020-10-21","18:00:00",""
"7700003","10.4957","0.0001","20.6949","0.0003","21.1795","0.0003","87.483","0.001","76.573","0.001","83.507","0.001","4445.16","0.1","148","2","148","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H210 Cl6 Mg4 N4 O44 P4 -","- C158 H210 Cl6 Mg4 N4 O44 P4 -","- C158 H210 Cl6 Mg4 N4 O44 P4 -","1","0.5","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.0555","0.0412","","","0.1057","0.1115","","","","","","1.09","","","","has coordinates,has disorder","215227","2020-10-21","18:00:00",""
"7700004","18.4495","0.001","10.4526","0.0004","21.1252","0.001","90","","108.412","0.006","90","","3865.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H50 Mg N O8 P -","- C41 H50 Mg N O8 P -","- C164 H200 Mg4 N4 O32 P4 -","4","1","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.0572","0.0456","","","0.1159","0.1215","","","","","","1.074","","","","has coordinates,has disorder","215227","2020-10-21","18:00:00",""
"7700005","29.9635","0.001","18.7967","0.0005","32.9183","0.0011","90","","120.91","0.005","90","","15906.9","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H188 Mg4 N8 O24 P4 -","- C168 H188 Mg4 N8 O24 P4 -","- C672 H752 Mg16 N32 O96 P16 -","4","0.5","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.0659","0.054","","","0.1459","0.1525","","","","","","1.039","","","","has coordinates,has disorder","215227","2020-10-21","18:00:00",""
"7700006","29.2437","0.0005","29.2437","0.0005","22.028","0.0005","90","","90","","90","","18838.2","0.6","120","2","120","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C288 H354 Cl2 Mg9 O77 P8 -","- C288 H354 Cl2 Mg9 O77 P8 -","- C576 H708 Cl4 Mg18 O154 P16 -","2","","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.1184","0.0829","","","0.2124","0.2286","","","","","","1.031","","","","has coordinates,has disorder","215227","2020-10-21","18:00:00",""
"7700007","16.0989","0.0007","16.9738","0.0007","13.3829","0.0006","90","","90","","90","","3657","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Hf(3,4,3-HOPO) trihydrate","","","- C34 H40 Hf N8 O15 -","- C34 H40 Hf N8 O15 -","- C136 H160 Hf4 N32 O60 -","4","0.5","","Deblonde, Gauthier J.-P.; Lohrey, Trevor D.; Abergel, Rebecca J.","Inducing selectivity and chirality in group IV metal coordination with high-denticity hydroxypyridinones.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8238","8247","10.1039/c9dt01031a","","","0.7749","synchrotron","","0.018","0.0176","","","0.0458","0.0461","","","","","","1.104","","","","has coordinates,has disorder","224433","2020-10-21","18:00:00",""
"7700008","20.8845","0.0009","17.2985","0.0007","29.7057","0.0011","90","","129.695","0.002","90","","8257.6","0.6","120","10","120","10","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F18 N2 O8 S Tb -","- C32 H22 F18 N2 O8 S Tb -","- C256 H176 F144 N16 O64 S8 Tb8 -","8","2","","Liu, Xiaoqing; Wang, Yu-Xia; Han, Zongsu; Han, Tian; Shi, Wei; Cheng, Peng","Tuning the magnetization dynamics of Tb<sup>III</sup>-based single-chain magnets through substitution on the nitronyl nitroxide radical.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8989","8994","10.1039/c9dt01704f","","","0.71073","MoKα","","0.063","0.0441","","","0.0703","0.0796","","","","","","1.009","","","","has coordinates,has disorder","223801","2020-10-21","18:00:00",""
"7700009","17.1897","0.0005","20.9619","0.0007","23.0457","0.0008","90","","97.913","0.003","90","","8225","0.5","120","10","120","10","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H44 F36 N4 O16 S2 Tb2 -","- C64 H44 F36 N4 O16 S2 Tb2 -","- C256 H176 F144 N16 O64 S8 Tb8 -","4","1","","Liu, Xiaoqing; Wang, Yu-Xia; Han, Zongsu; Han, Tian; Shi, Wei; Cheng, Peng","Tuning the magnetization dynamics of Tb<sup>III</sup>-based single-chain magnets through substitution on the nitronyl nitroxide radical.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8989","8994","10.1039/c9dt01704f","","","0.71073","MoKα","","0.0528","0.0364","","","0.0625","0.0681","","","","","","1.012","","","","has coordinates,has disorder","223801","2020-10-21","18:00:00",""
"7700010","12.3978","0.0005","20.1923","0.0009","21.8157","0.0011","90","","100.88","0.002","90","","5363.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H77 Al N6 P2 S2 -","- C51 H77 Al N6 P2 S2 -","- C204 H308 Al4 N24 P8 S8 -","4","1","","Koner, Abhishek; Gabidullin, Bulat M.; Kelemen, Zsolt; Nyulászi, László; Nikonov, Georgii I.; Streubel, Rainer","7-Metalla-1,4-diphosphanorbornadienes: cycloaddition of monovalent group 13 NacNac complexes to a stable 1,4-diphosphinine.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8248","8253","10.1039/c9dt01425j","","","0.71073","MoKα","","0.119","0.0607","","","0.1368","0.1638","","","","","","1.021","","","","has coordinates","224434","2020-10-21","18:00:00",""
"7700011","23.684","0.003","12.5765","0.0017","17.783","0.003","90","","90","","90","","5296.9","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H77 Ga N6 P2 S2 -","- C51 H77 Ga N6 P2 S2 -","- C204 H308 Ga4 N24 P8 S8 -","4","1","","Koner, Abhishek; Gabidullin, Bulat M.; Kelemen, Zsolt; Nyulászi, László; Nikonov, Georgii I.; Streubel, Rainer","7-Metalla-1,4-diphosphanorbornadienes: cycloaddition of monovalent group 13 NacNac complexes to a stable 1,4-diphosphinine.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8248","8253","10.1039/c9dt01425j","","","0.71073","MoKα","","0.0655","0.0432","","","0.0981","0.1077","","","","","","1.029","","","","has coordinates,has disorder","224434","2020-10-21","18:00:00",""
"7700012","18.328","0.0013","18.8247","0.0014","19.5818","0.0015","73.302","0.002","81.107","0.002","86.84","0.002","6393","0.8","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H125 Ag6 F36 N15 O3 P6 S6 -","- C91 H125 Ag6 F36 N15 O3 P6 S6 -","- C182 H250 Ag12 F72 N30 O6 P12 S12 -","2","1","","Zhang, Min; Tan, Yu-Ling; Chen, Xu-Ran; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","A cationic [Ag<sub>12</sub>S<sub>12</sub>] cluster-based 2D coordination polymer and its dye composite with enhanced photocurrent and dielectric responses.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8546","8550","10.1039/c9dt01566c","","","0.71073","MoKα","","0.0911","0.0723","","","0.1591","0.1745","","","","","","1.116","","","","has coordinates,has disorder","223795","2020-10-21","18:00:00",""
"7700013","17.4494","0.0003","23.4849","0.0006","18.8183","0.0006","90","","105.37","0.0011","90","","7435.9","0.3","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H125 Si10 -","- C63 H125 Si10 -","- C252 H500 Si40 -","4","1","","Sugahara, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro","The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9053","9056","10.1039/c9dt01322a","","","0.71075","MoKα","","0.1037","0.0801","","","0.1896","0.2155","","","","","","1.065","","","","has coordinates,has disorder","224203","2020-10-21","18:00:00",""
"7700014","12.9911","0.0003","38.3496","0.0006","14.8258","0.0003","90","","93.937","0.002","90","","7368.8","0.3","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H115 Si10 -","- C65 H115 Si10 -","- C260 H460 Si40 -","4","1","","Sugahara, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro","The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9053","9056","10.1039/c9dt01322a","","","0.71073","MoKα","","0.0674","0.0452","","","0.0928","0.1012","","","","","","1.026","","","","has coordinates,has disorder","224203","2020-10-21","18:00:00",""
"7700015","17.4581","0.0011","19.372","0.0004","23.8816","0.001","75.4","0.003","86.427","0.004","69.949","0.004","7339.6","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H118 O2 Si10 -","- C60 H118 O2 Si10 -","- C240 H472 O8 Si40 -","4","2","","Sugahara, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro","The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9053","9056","10.1039/c9dt01322a","","","0.78255","Synchrotron","","0.2981","0.1639","","","0.3802","0.5098","","","","","","1.234","","","","has coordinates","224203","2020-10-21","18:00:00",""
"7700016","13.9919","0.0003","14.7539","0.0004","18.776","0.0004","90","","92.469","0.002","90","","3872.43","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Al N P -","- C40.9994 H44.9994 Al N P -","- C163.998 H179.998 Al4 N4 P4 -","4","1","","Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping","Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9152","9160","10.1039/c9dt00903e","","","1.54178","CuKα","","0.0775","0.0696","","","0.1986","0.2129","","","","","","1.041","","","","has coordinates,has disorder","224208","2020-10-21","18:00:00",""
"7700017","24.0988","0.0009","8.701","0.0003","11.4918","0.0005","90","","90","","90","","2409.64","0.16","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H28 Al N S2 -","- C27 H28 Al N S2 -","- C108 H112 Al4 N4 S8 -","4","1","","Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping","Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9152","9160","10.1039/c9dt00903e","","","0.71073","MoKα","","0.0548","0.0457","","","0.1027","0.1081","","","","","","1.036","","","","has coordinates,has disorder","224208","2020-10-21","18:00:00",""
"7700018","11.3543","0.0014","17.4839","0.001","22.6998","0.0019","90","","98.93","0.009","90","","4451.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Al N P2 Si2 -","- C47 H58 Al N P2 Si2 -","- C188 H232 Al4 N4 P8 Si8 -","4","1","","Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping","Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9152","9160","10.1039/c9dt00903e","","","0.71073","MoKα","","0.1181","0.07","","","0.1296","0.1461","","","","","","1.028","","","","has coordinates","224208","2020-10-21","18:00:00",""
"7700019","11.3883","0.0005","19.6761","0.0007","18.8444","0.0007","90","","100.654","0.004","90","","4149.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H61 Al N2 Si2 -","- C44 H61 Al N2 Si2 -","- C176 H244 Al4 N8 Si8 -","4","1","","Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping","Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9152","9160","10.1039/c9dt00903e","","","0.71073","MoKα","","0.0802","0.0609","","","0.1419","0.1526","","","","","","1.046","","","","has coordinates","224208","2020-10-21","18:00:00",""
"7700020","9.4599","0.0004","12.2035","0.0004","19.9085","0.0006","90","","90","","90","","2298.31","0.14","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Rubidium nickel-iron borophosphate","Dirubidium Diaquatrinickel-iron 24-oxodihydroxotetraborohexaphosphate(V)borophosphate","","- B8 Fe H12 Ni5 O56 P12 Rb4 -","- B8 Fe H12 Ni5 O56 P12 Rb4 -","- B16 Fe2 H24 Ni10 O112 P24 Rb8 -","2","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander","Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8835","8842","10.1039/c9dt00564a","","","0.71073","MoKα","","0.072","0.0618","","","0.0943","0.0972","","","","","","1.315","","","","has coordinates","223791","2020-10-21","18:00:00",""
"7700021","9.4057","0.0005","12.9274","0.0005","19.3912","0.0009","90","","90","","90","","2357.8","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Caesium copper borophosphate","Dicaesium Diaquatricopper 24-oxodihydroxotetraborohexaphosphate(V)","","- B8 Cs4 Cu6 H12 O56 P12 -","- B8 Cs4 Cu6 H12 O56 P12 -","- B16 Cs8 Cu12 H24 O112 P24 -","2","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander","Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8835","8842","10.1039/c9dt00564a","","","0.71073","MoKα","","0.0674","0.0439","","","0.0758","0.0824","","","","","","1.082","","","","has coordinates","223791","2020-10-21","18:00:00",""
"7700022","9.52","0.0004","12.2546","0.0005","19.966","0.0006","90","","90","","90","","2329.31","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Caesium nickel borophosphate","Dicaesium Diaquatrinickel 24-oxodihydroxotetraborohexaphosphate(V)","","- B8 Cs4 H12 Ni6 O56 P12 -","- B8 Cs4 H12 Ni6 O56 P12 -","- B16 Cs8 H24 Ni12 O112 P24 -","2","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander","Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8835","8842","10.1039/c9dt00564a","","","0.71073","MoKα","","0.0781","0.0662","","","0.0996","0.1033","","","","","","1.299","","","","has coordinates","223791","2020-10-21","18:00:00",""
"7700023","8.9546","0.0004","10.9939","0.0005","14.0477","0.0006","85.134","0.004","86.799","0.003","81.534","0.004","1361.62","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H30 Cu N6 O10 S3 -","- C21 H30 Cu N6 O10 S3 -","- C42 H60 Cu2 N12 O20 S6 -","2","1","","Guillou, Amaury; Lima, Luís M P; Esteban-Gómez, David; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","endo- versus exo-Cyclic coordination in copper complexes with methylthiazolylcarboxylate tacn derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8740","8755","10.1039/c9dt01366k","","x-ray","0.71073","MoKα","","0.063","0.0468","","","0.1143","0.1273","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7700024","9.7341","0.0006","10.4174","0.0007","14.3026","0.0008","87.718","0.005","89.646","0.005","80.05","0.005","1427.39","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H50 Cl4 Cu3 N12 O22 S6 -","- C38 H50 Cl4 Cu3 N12 O22 S6 -","- C38 H50 Cl4 Cu3 N12 O22 S6 -","1","0.5","","Guillou, Amaury; Lima, Luís M P; Esteban-Gómez, David; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","endo- versus exo-Cyclic coordination in copper complexes with methylthiazolylcarboxylate tacn derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8740","8755","10.1039/c9dt01366k","","x-ray","0.71073","MoKα","","0.0706","0.0558","","","0.1406","0.153","","","","","","1.071","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7700025","9.9681","0.0004","7.6471","0.0003","9.138","0.0005","90","","96.069","0.004","90","","692.66","0.05","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N2 O8 S2 -","- C8 H12 Cu N2 O8 S2 -","- C16 H24 Cu2 N4 O16 S4 -","2","0.5","","Guillou, Amaury; Lima, Luís M P; Esteban-Gómez, David; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël","endo- versus exo-Cyclic coordination in copper complexes with methylthiazolylcarboxylate tacn derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8740","8755","10.1039/c9dt01366k","","x-ray","0.71073","MoKα","","0.0418","0.0336","","","0.0827","0.0886","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7700026","7.0923","0.0016","26.431","0.006","30.165","0.008","90","","95.216","0.003","90","","5631","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C113.76 H102.04 Cd3.31 N14.38 O23 -","- C96 H52 Cd3.27 N8 O16 -","- C192 H104 Cd6.54 N16 O32 -","2","0.25","","Li, Qi; Luo, Yanping; Ding, Yue; Wang, Yina; Wang, Yuxin; Du, Hongbin; Yuan, Rongxin; Bao, Jianchun; Fang, Min; Wu, Yong","Charge, adsorption, water stability and bandgap tuning of an anionic Cd(ii) porphyrinic metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8678","8692","10.1039/c9dt00478e","","","0.71073","MoKα","","0.172","0.0923","","","0.2055","0.2488","","","","","","1.034","","","","has coordinates,has disorder","223800","2020-10-21","18:00:00",""
"7700027","7.089","0.002","26.513","0.008","30.078","0.008","90","","95.351","0.008","90","","5629","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114.2 H98.8 Cd3.2 N14.6 O23.5 -","- C96 H52 Cd3.2 N8 O16 -","- C192 H104 Cd6.4 N16 O32 -","2","0.25","","Li, Qi; Luo, Yanping; Ding, Yue; Wang, Yina; Wang, Yuxin; Du, Hongbin; Yuan, Rongxin; Bao, Jianchun; Fang, Min; Wu, Yong","Charge, adsorption, water stability and bandgap tuning of an anionic Cd(ii) porphyrinic metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8678","8692","10.1039/c9dt00478e","","","0.71073","MoKα","","0.1075","0.0951","","","0.2695","0.2837","","","","","","1.141","","","","has coordinates,has disorder","223800","2020-10-21","18:00:00",""
"7700028","11.5301","0.0006","12.0841","0.0008","17.3369","0.0012","76.273","0.006","78.114","0.005","77.688","0.005","2261.7","0.3","120","0.1","120","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Cl N O P2 Ru -","- C51 H40 Cl N O P2 Ru -","- C102 H80 Cl2 N2 O2 P4 Ru2 -","2","1","","Gong, Dawei; Hu, Bowen; Chen, Dafa","Bidentate Ru(ii)-NC complexes as catalysts for the dehydrogenative reaction from primary alcohols to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8826","8834","10.1039/c9dt01414d","","","0.71073","MoKα","","0.0525","0.0381","","","0.0887","0.0987","","","","","","0.98","","","","has coordinates,has disorder","223781","2020-10-21","18:00:00",""
"7700029","10.7587","0.0002","43.2244","0.0008","19.8552","0.0003","90","","91.064","0.002","90","","9231.8","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C117 H94 N2 O6 P4 Ru2 -","- C117 H94 N2 O6 P4 Ru2 -","- C468 H376 N8 O24 P16 Ru8 -","4","2","","Gong, Dawei; Hu, Bowen; Chen, Dafa","Bidentate Ru(ii)-NC complexes as catalysts for the dehydrogenative reaction from primary alcohols to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8826","8834","10.1039/c9dt01414d","","x-ray","0.71073","MoKα","","0.0709","0.0508","","","0.0856","0.0956","","","","","","1.038","","","","has coordinates","223781","2020-10-21","18:00:00",""
"7700030","9.5001","0.0006","18.0623","0.0018","19.7718","0.0015","90","","97.105","0.006","90","","3366.7","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H57 La -","- C39 H57 La -","- C156 H228 La4 -","4","2","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0698","0.0519","","","0.0789","0.0845","","","","","","1.02","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700031","9.9037","0.0004","12.3136","0.0007","27.6207","0.0012","90","","90","","90","","3368.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H57 Nd -","- C39 H57 Nd -","- C156 H228 Nd4 -","4","1","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0588","0.0418","","","0.0625","0.0689","","","","","","1.052","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700032","9.9249","0.0003","12.323","0.0004","27.7491","0.001","90","","90","","90","","3393.84","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H57 Ce -","- C39 H57 Ce -","- C156 H228 Ce4 -","4","1","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0397","0.0344","","","0.0742","0.0764","","","","","","1.183","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700033","9.4762","0.0003","18.0442","0.0007","19.7324","0.0007","90","","97.142","0.003","90","","3347.9","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H57 Pr -","- C39 H57 Pr -","- C156 H228 Pr4 -","4","2","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0578","0.0392","","","0.0629","0.0689","","","","","","1.031","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700034","14.134","0.005","10.725","0.004","18.983","0.007","90","","100.235","0.007","90","","2831.8","1.8","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 Mn4 N4 O8 -","- C44 H60 Cl4 Mn4 N4 O8 -","- C88 H120 Cl8 Mn8 N8 O16 -","2","0.5","","Das, Avijit; Chakraborty, Maharudra; Maity, Souvik; Ghosh, Ashutosh","The catalytic activities and magnetic behaviours of a μ3-chlorido and a μ1,1,1-azido bridged rare defective dicubane tetranuclear Mn(II) complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01567A","","","0.71073","MoKα","","0.1789","0.1012","","","0.2647","0.321","","","","","","1.037","","","","has coordinates","215339","2020-10-21","18:00:00",""
"7700035","32.5215","0.0012","32.5215","0.0012","14.0934","0.0006","90","","90","","120","","12908.8","0.9","298","2","298","","","","","","","","","5","R -3","-R 3","148","","","","- C44 H60 Mn4 N16 O8 -","- C44 H60 Mn4 N16 O8 -","- C396 H540 Mn36 N144 O72 -","9","","","Das, Avijit; Chakraborty, Maharudra; Maity, Souvik; Ghosh, Ashutosh","The catalytic activities and magnetic behaviours of a μ3-chlorido and a μ1,1,1-azido bridged rare defective dicubane tetranuclear Mn(II) complexes","Dalton Transactions","2019","","","","","10.1039/C9DT01567A","","","0.71073","MoKα","","0.0605","0.0466","","","0.1145","0.1282","","","","","","1.044","","","","has coordinates,has disorder","215339","2020-10-21","18:00:00",""
"7700036","7.961","0.006","8.932","0.006","14.02","0.01","93.206","0.011","92.618","0.011","107.265","0.01","948.5","1.2","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H17 Mn2 Mo N8 O5 -","- C11 H17 Mn2 Mo N8 O5 -","- C22 H34 Mn4 Mo2 N16 O10 -","2","1","","Wei, Xiao-Qin; Wang, Kang-Jie; Wu, Dong-Qing; Shao, Dong; Shi, Le; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Xin-Yi","Two three-dimensional [Mo<sup>III</sup>(CN)<sub>7</sub>]<sup>4-</sup>-based magnets showing new topologies and ferrimagnetic ordering below 80 K.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8843","8852","10.1039/c9dt01290g","","","0.71073","MoKα","","0.1011","0.0633","","","0.1504","0.1723","","","","","","1.053","","","","has coordinates,has disorder","223792","2020-10-21","18:00:00",""
"7700037","9.0369","0.0019","16.263","0.004","13.159","0.003","90","","102.805","0.003","90","","1885.8","0.7","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Mn2 Mo N8 O2 -","- C12 H13 Mn2 Mo N8 O2 -","- C48 H52 Mn8 Mo4 N32 O8 -","4","1","","Wei, Xiao-Qin; Wang, Kang-Jie; Wu, Dong-Qing; Shao, Dong; Shi, Le; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Xin-Yi","Two three-dimensional [Mo<sup>III</sup>(CN)<sub>7</sub>]<sup>4-</sup>-based magnets showing new topologies and ferrimagnetic ordering below 80 K.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8843","8852","10.1039/c9dt01290g","","","0.71073","MoKα","","0.0329","0.0282","","","0.069","0.0711","","","","","","1.038","","","","has coordinates","223792","2020-10-21","18:00:00",""
"7700038","6.6726","0.0019","6.9181","0.0019","7.334","0.002","83.839","0.003","80.595","0.003","81.797","0.003","329.36","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca Li O9 P3 -","- Ca Li O9 P3 -","- Ca2 Li2 O18 P6 -","2","1","","Han, Shujuan; Li, Hao; Yang, Zhihua; Yu, H. H.; Pan, Shilie","Three new phosphates, Cs<sub>8</sub>Pb<sub>4</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub>, CsLi<sub>7</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> and LiCa(PO<sub>3</sub>)<sub>3</sub>: structural comparison, characterization and theoretical calculation.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8948","8954","10.1039/c9dt01739a","","","0.71073","MoKα","","0.032","0.0274","","","0.0758","0.0783","","","","","","1.14","","","","has coordinates","223790","2020-10-21","18:00:00",""
"7700039","7.562","0.002","9.353","0.003","10.3","0.003","64.664","0.003","81.563","0.003","72.015","0.003","626.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs Li7 O14 P4 -","- Cs Li7 O14 P4 -","- Cs2 Li14 O28 P8 -","2","1","","Han, Shujuan; Li, Hao; Yang, Zhihua; Yu, H. H.; Pan, Shilie","Three new phosphates, Cs<sub>8</sub>Pb<sub>4</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub>, CsLi<sub>7</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> and LiCa(PO<sub>3</sub>)<sub>3</sub>: structural comparison, characterization and theoretical calculation.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8948","8954","10.1039/c9dt01739a","","","0.71073","MoKα","","0.0323","0.0279","","","0.0672","0.0703","","","","","","1.01","","","","has coordinates","223790","2020-10-21","18:00:00",""
"7700040","9.5335","0.001","11.7281","0.0011","16.3626","0.0018","85.643","0.006","74.417","0.006","79.477","0.006","1731.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs8 O28 P8 Pb4 -","- Cs8 O28 P8 Pb4 -","- Cs16 O56 P16 Pb8 -","2","1","","Han, Shujuan; Li, Hao; Yang, Zhihua; Yu, H. H.; Pan, Shilie","Three new phosphates, Cs<sub>8</sub>Pb<sub>4</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub>, CsLi<sub>7</sub>(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> and LiCa(PO<sub>3</sub>)<sub>3</sub>: structural comparison, characterization and theoretical calculation.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8948","8954","10.1039/c9dt01739a","","","0.71073","MoKα","","0.0781","0.045","","","0.0859","0.1011","","","","","","1.03","","","","has coordinates","223790","2020-10-21","18:00:00",""
"7700041","14.03","0.004","23.66","0.004","15.82","0.004","90","","113.39","0.05","90","","4820","3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P2yab","14","","","","- C44 H42 N4 O22 Zn6 -","- C44 H42 N4 O22 Zn6 -","- C176 H168 N16 O88 Zn24 -","4","1","","Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania","Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions","Dalton Transactions","2019","","","","","10.1039/C9DT01572H","","","0.72656","synchrotron","","0.0415","0.0362","","","0.0946","0.0982","","","","","","1.02","","","","has coordinates,has disorder","215382","2020-10-21","18:00:00",""
"7700042","22.97","0.005","22.97","0.005","15.91","0.005","90","","90","","120","","7270","3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H2 O7 Zn2 -","- C8 H2 O7 Zn2 -","- C144 H36 O126 Zn36 -","18","0.5","","Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania","Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions","Dalton Transactions","2019","","","","","10.1039/C9DT01572H","","","0.72656","synchrotron","","0.0586","0.056","","","0.1726","0.1746","","","","","","1.194","","","","has coordinates","215382","2020-10-21","18:00:00",""
"7700043","18.4362","0.0007","33.5056","0.001","25.5225","0.0009","90","","90","","90","","15765.7","0.9","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C66 H27 Cl0.5 Cu6 N3 O35 -","- C66 H27 Cl0.5 Cu6 N3 O35 -","- C264 H108 Cl2 Cu24 N12 O140 -","4","0.5","","Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong","Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C<sub>3</sub>H<sub>4</sub> over C<sub>3</sub>H<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9225","9233","10.1039/c9dt01677e","","","0.71073","MoKα","","0.1108","0.0567","","","0.1324","0.1537","","","","","","0.918","","","","has coordinates,has disorder","224205","2020-10-21","18:00:00",""
"7700044","22.4612","0.0009","22.4612","0.0009","11.1324","0.0006","90","","90","","120","","4863.9","0.4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C44 H20 Cu2 N2 O20 -","- C44 H18 Cu2 N2 O20 -","- C132 H54 Cu6 N6 O60 -","3","0.5","","Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong","Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C<sub>3</sub>H<sub>4</sub> over C<sub>3</sub>H<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9225","9233","10.1039/c9dt01677e","","","0.71073","MoKα","","0.1035","0.068","","","0.1622","0.1906","","","","","","1.012","","","","has coordinates","224205","2020-10-21","18:00:00",""
"7700045","13.115","0.008","13.371","0.007","14.838","0.01","90","","90","","90","","2602","3","150","2","150","2","","","","","","","","5","F m m m","-F 2 2","69","","Lithium 12-crown-4 neptunyl tetrachloride","","- C16 Cl4 Li2 Np O10 -","- C16 Cl4 Li2 Np O10 -","- C64 Cl16 Li8 Np4 O40 -","4","0.125","","Bjorklund, Jennifer L.; Pyrch, Mikaela M.; Basile, Madeline C.; Mason, Sara E.; Forbes, Tori Z.","Actinyl-cation interactions: experimental and theoretical assessment of [Np(vi)O<sub>2</sub>Cl<sub>4</sub>]<sup>2-</sup> and [U(vi)O<sub>2</sub>Cl<sub>4</sub>]<sup>2-</sup> systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8861","8871","10.1039/c9dt01753d","","","0.71073","MoKα","","0.0419","0.0419","","","0.1088","0.1088","","","","","","1.065","","","","has coordinates,has disorder","223793","2020-10-21","18:00:00",""
"7700046","14.117","0.003","9.517","0.002","14.336","0.003","90","","101.388","0.008","90","","1888.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Cl4 Na2 Np O16 -","- C24 H52 Cl4 Na2 Np O16 -","- C48 H104 Cl8 Na4 Np2 O32 -","2","0.5","","Bjorklund, Jennifer L.; Pyrch, Mikaela M.; Basile, Madeline C.; Mason, Sara E.; Forbes, Tori Z.","Actinyl-cation interactions: experimental and theoretical assessment of [Np(vi)O<sub>2</sub>Cl<sub>4</sub>]<sup>2-</sup> and [U(vi)O<sub>2</sub>Cl<sub>4</sub>]<sup>2-</sup> systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8861","8871","10.1039/c9dt01753d","","","0.71073","MoKα","","0.0284","0.0204","","","0.0439","0.0468","","","","","","1.1","","","","has coordinates","223793","2020-10-21","18:00:00",""
"7700047","10.0239","0.0017","9.9861","0.0017","19.349","0.003","90","","95.187","0.007","90","","1928.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H49 Cl4 K2 Np O14.5 -","- C24 H49 Cl4 K2 Np O14.5 -","- C48 H98 Cl8 K4 Np2 O29 -","2","0.5","","Bjorklund, Jennifer L.; Pyrch, Mikaela M.; Basile, Madeline C.; Mason, Sara E.; Forbes, Tori Z.","Actinyl-cation interactions: experimental and theoretical assessment of [Np(vi)O<sub>2</sub>Cl<sub>4</sub>]<sup>2-</sup> and [U(vi)O<sub>2</sub>Cl<sub>4</sub>]<sup>2-</sup> systems.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8861","8871","10.1039/c9dt01753d","","","0.71073","MoKα","","0.0244","0.0175","","","0.0392","0.0409","","","","","","0.992","","","","has coordinates","223793","2020-10-21","18:00:00",""
"7700048","10.2885","0.0005","36.2677","0.0019","16.0699","0.0009","90","","92.504","0.0016","90","","5990.6","0.5","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H68 B3 Cl5 Dy2 N18 -","- C46 H68 B3 Cl5 Dy2 N18 -","- C184 H272 B12 Cl20 Dy8 N72 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Switching on single-molecule magnet properties of homoleptic sandwich tris(pyrazolyl)borate dysprosium(iii) cations via intermolecular dipolar coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10610","10618","10.1039/c9dt00597h","","","0.71073","MoKα","","0.0326","0.0244","","","0.0438","0.0459","","","","","","1.099","","","","has coordinates","223770","2020-10-21","18:00:00",""
"7700049","16.4584","0.0011","12.8987","0.0008","8.4033","0.0006","90","","91.81","0.003","90","","1783.1","0.2","100","","100.42","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H44 B2 Dy I N12 -","- C30 H44 B2 Dy I N12 -","- C60 H88 B4 Dy2 I2 N24 -","2","0.25","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Switching on single-molecule magnet properties of homoleptic sandwich tris(pyrazolyl)borate dysprosium(iii) cations via intermolecular dipolar coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10610","10618","10.1039/c9dt00597h","","x-ray","0.71073","MoKα","","0.03","0.0253","","","0.0458","0.0473","","","","","","1.109","","","","has coordinates,has disorder","223770","2020-10-21","18:00:00",""
"7700050","9.499","0.003","31.346","0.008","10.016","0.003","90","","118.04","0.008","90","","2632.3","1.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 B Cl3 Dy N7 -","- C19 H34 B Cl3 Dy N7 -","- C76 H136 B4 Cl12 Dy4 N28 -","4","1","","Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.","Switching on single-molecule magnet properties of homoleptic sandwich tris(pyrazolyl)borate dysprosium(iii) cations via intermolecular dipolar coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10610","10618","10.1039/c9dt00597h","","x-ray","0.71073","MoKα","","0.027","0.0237","","","0.0527","0.0542","","","","","","1.167","","","","has coordinates","223770","2020-10-21","18:00:00",""
"7700051","10.053","0.004","11.375","0.004","12.746","0.006","111.34","0.02","105.576","0.018","90.796","0.016","1297.6","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","mesoBDPCarb","","- C31 H34 B F2 N3 -","- C31 H34 B F2 N3 -","- C62 H68 B2 F4 N6 -","2","1","","Strahan, John; Popere, Bhooshan C.; Khomein, Piyachai; Pointer, Craig A.; Martin, Shea M.; Oldacre, Amanda N.; Thayumanavan, S.; Young, Elizabeth R.","Modulating absorption and charge transfer in bodipy-carbazole donor-acceptor dyads through molecular design.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8488","8501","10.1039/c9dt00094a","","","0.71073","MoKα","","0.0677","0.0446","","","0.1034","0.1158","","","","","","1.0396","","","","has coordinates","224436","2020-10-21","18:00:00",""
"7700052","17.587","0.004","12.556","0.003","9.0534","0.0018","90","","93.77","0.03","90","","1994.9","0.8","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Fe N6 O7 -","- C16 H21 Fe N6 O7 -","- C64 H84 Fe4 N24 O28 -","4","1","","Spitsyna, Nataliya G.; Blagov, Maxim A.; Lazarenko, Vladimir A.; Zorina, Leokadiya V.; Vasiliev, Alexander N.; Krapivin, Vladimir B.; Svetogorov, Roman D.; Maximova, Olga V.; Simonov, Sergey V.; Yagubskii, Eduard B.","Spin-crossover behavior of neutral iron(iii) complexes with salicylaldehyde thio-, seleno- and semicarbazone ligands: experiment and theoretical analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9328","9336","10.1039/c9dt01404g","","","0.80246","synchrotron","","0.0691","0.0631","","","0.1678","0.1751","","","","","","1.043","","","","has coordinates","224211","2020-10-21","18:00:00",""
"7700053","17.865","0.004","24.913","0.005","7.4","0.0015","90","","90","","90","","3293.5","1.2","120","2","120","2","","","","","","","","6","P m m n","-P 2ab 2a","59","","bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) acetonitrile solvate solvate solvate tetrahydrofuran solvate solvate solvate","","- C61.8 H48.1 I4 N7.5 O8.7 Zn2 -","- C61.744 H48.024 I4 N7.464 O8.704 Zn2 -","- C123.488 H96.048 I8 N14.928 O17.408 Zn4 -","2","","","Hyun, Soomin; Yang, Lingling; Kim, Dongwon; Jung, Ok-Sang","Stable suprachannels via columnar cyclodimeric ensemble: exchange and matrix of various liquid guests in SCSC fashion","Dalton Transactions","2019","","","","","10.1039/C9DT00572B","","","0.63","synchrotron","","0.0442","0.044","","","0.1312","0.1315","","","","","","1.08","","","","has coordinates,has disorder","215461","2020-10-21","18:00:00",""
"7700054","17.7316","0.001","7.4525","0.0004","24.9626","0.0015","90","","93.466","0.004","90","","3292.6","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) diiodomethane solvate benzene solvate","","- C60 H42 I8 N4 O8 Zn2 -","- C60.022 H42.044 I8.044 N4 O8 Zn2 -","- C120.044 H84.088 I16.088 N8 O16 Zn4 -","2","0.5","","Hyun, Soomin; Yang, Lingling; Kim, Dongwon; Jung, Ok-Sang","Stable suprachannels via columnar cyclodimeric ensemble: exchange and matrix of various liquid guests in SCSC fashion","Dalton Transactions","2019","","","","","10.1039/C9DT00572B","","","0.71073","MoKα","","0.1752","0.0969","","","0.2413","0.2865","","","","","","1.018","","","","has coordinates,has disorder","215461","2020-10-21","18:00:00",""
"7700055","17.888","0.004","24.896","0.005","7.392","0.0015","90","","90","","90","","3292","1.2","120","2","120","2","","","","","","","","6","P m m n","-P 2ab 2a","59","","bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) phenylacetylene solvate","","- C69.6 H45.2 I4 N4 O8 Zn2 -","- C69.904 H32 I4 N4 O8 Zn2 -","- C139.808 H64 I8 N8 O16 Zn4 -","2","","","Hyun, Soomin; Yang, Lingling; Kim, Dongwon; Jung, Ok-Sang","Stable suprachannels via columnar cyclodimeric ensemble: exchange and matrix of various liquid guests in SCSC fashion","Dalton Transactions","2019","","","","","10.1039/C9DT00572B","","","0.65","synchrotron","","0.0613","0.0468","","","0.1517","0.1618","","","","","","1.169","","","","has coordinates,has disorder","215461","2020-10-21","18:00:00",""
"7700056","11.154","0.005","17.875","0.007","16.895","0.009","90","","108.837","0.008","90","","3188","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N P2 Ru -","- C37 H39 N P2 Ru -","- C148 H156 N4 P8 Ru4 -","4","1","","Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu","The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9303","9309","10.1039/c9dt01503e","","","0.71073","MoKα","","0.0413","0.0313","","","0.0603","0.0627","","","","","","1.001","","","","has coordinates,has disorder","224201","2020-10-21","18:00:00",""
"7700057","13.1304","0.0014","9.1192","0.0009","26.004","0.003","90","","90.552","0.011","90","","3113.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cl2 N O0 P2 Ru -","- C34 H33 Cl2 N P2 Ru -","- C136 H132 Cl8 N4 P8 Ru4 -","4","1","","Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu","The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9303","9309","10.1039/c9dt01503e","","","0.71073","MoKα","","0.0456","0.0391","","","0.1064","0.1246","","","","","","1.085","","","","has coordinates","224201","2020-10-21","18:00:00",""
"7700058","28.64","0.006","22.121","0.004","21.051","0.005","90","","121.458","0.003","90","","11377","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100.6 H103.2 Cl1.2 F12 N10 P6 Ru4 -","- C100.6 H103.2 Cl1.2 F12 N10 P6 Ru4 -","- C402.4 H412.8 Cl4.8 F48 N40 P24 Ru16 -","4","0.5","","Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu","The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9303","9309","10.1039/c9dt01503e","","","0.71073","MoKα","","0.069","0.0564","","","0.1165","0.1226","","","","","","0.998","","","","has coordinates,has disorder","224201","2020-10-21","18:00:00",""
"7700059","32.2832","0.0016","32.2832","0.0016","32.2832","0.0016","90","","90","","90","","33646","3","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C110 H122 F12 N10 P6 Ru4 -","- C110 H122 F12 N10 P6 Ru4 -","- C1320 H1464 F144 N120 P72 Ru48 -","12","0.5","","Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu","The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9303","9309","10.1039/c9dt01503e","","","0.71073","MoKα","","0.0638","0.0616","","","0.1537","0.1571","","","","","","1.005","","","","has coordinates,has disorder","224201","2020-10-21","18:00:00",""
"7700060","5.48987","0.00025","9.4841","0.0004","5.7109","0.0002","90","","108.985","0.0031","90","","281.17","0.02","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Mn2 Na3 O6 Sb -","- Mn2 Na3 O6 Sb -","- Mn4 Na6 O12 Sb2 -","2","0.25","","Yadav, Dileep Kumar; Sethi, Aanchal; Shalu, ?; Uma, S.","New series of honeycomb ordered oxides, Na<sub>3</sub>M<sub>2</sub>SbO<sub>6</sub> (M(ii) = Mn, Fe, (Mn, Fe), (Mn, Co)): synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8955","8965","10.1039/c9dt01194c","powder diffraction","","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","223798","2020-10-21","18:00:00",""
"7700061","5.3727","0.0009","9.2977","0.0006","5.709","0.0004","90","","108.34","0.009","90","","270.7","0.05","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Fe2 Na3 O6 Sb -","- Fe2 Na3 O6 Sb -","- Fe4 Na6 O12 Sb2 -","2","0.25","","Yadav, Dileep Kumar; Sethi, Aanchal; Shalu, ?; Uma, S.","New series of honeycomb ordered oxides, Na<sub>3</sub>M<sub>2</sub>SbO<sub>6</sub> (M(ii) = Mn, Fe, (Mn, Fe), (Mn, Co)): synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8955","8965","10.1039/c9dt01194c","powder diffraction","","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","223798","2020-10-21","18:00:00",""
"7700062","11.4988","0.0007","9.7823","0.0006","30.8793","0.0019","90","","94.418","0.002","90","","3463.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Cl2 Dy2 Fe2 N14 O20 -","- C56 H78 Cl2 Dy2 Fe2 N12 O20 -","- C112 H156 Cl4 Dy4 Fe4 N24 O40 -","2","0.5","","Wang, Hui-Sheng; Yin, Cheng-Ling; Hu, Zhao-Bo; Chen, Yong; Pan, Zhi-Quan; Song, You; Zhang, Yi-Quan; Zhang, Zai-Chao","Regulation of magnetic relaxation behavior by replacing 3d transition metal ions in [M<sub>2</sub>Dy<sub>2</sub>] complexes containing two different organic chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10011","10022","10.1039/c9dt00774a","","","0.71073","MoKα","","0.117","0.0912","","","0.1855","0.1927","","","","","","1.176","","","","has coordinates,has disorder","223873","2020-10-21","18:00:00",""
"7700063","11.5322","0.0005","9.6271","0.0004","32.6696","0.0012","90","","94.582","0.001","90","","3615.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Cl2 Fe2 Gd2 N14 O20 -","- C60 H84 Cl2 Fe2 Gd2 N14 O20 -","- C120 H168 Cl4 Fe4 Gd4 N28 O40 -","2","0.5","","Wang, Hui-Sheng; Yin, Cheng-Ling; Hu, Zhao-Bo; Chen, Yong; Pan, Zhi-Quan; Song, You; Zhang, Yi-Quan; Zhang, Zai-Chao","Regulation of magnetic relaxation behavior by replacing 3d transition metal ions in [M<sub>2</sub>Dy<sub>2</sub>] complexes containing two different organic chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10011","10022","10.1039/c9dt00774a","","","0.71073","MoKα","","0.08","0.0569","","","0.1033","0.1087","","","","","","1.084","","","","has coordinates","223873","2020-10-21","18:00:00",""
"7700064","9.8667","0.0006","13.3781","0.0008","14.8804","0.0008","85.483","0.002","87.541","0.002","82.719","0.002","1941.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H101 Co2 Gd2 N10 O31.5 -","- C60 H74 Co2 Gd2 N10 O24 -","- C60 H74 Co2 Gd2 N10 O24 -","1","0.5","","Wang, Hui-Sheng; Yin, Cheng-Ling; Hu, Zhao-Bo; Chen, Yong; Pan, Zhi-Quan; Song, You; Zhang, Yi-Quan; Zhang, Zai-Chao","Regulation of magnetic relaxation behavior by replacing 3d transition metal ions in [M<sub>2</sub>Dy<sub>2</sub>] complexes containing two different organic chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10011","10022","10.1039/c9dt00774a","","","0.71073","MoKα","","0.0658","0.042","","","0.065","0.0688","","","","","","1.088","","","","has coordinates,has disorder","223873","2020-10-21","18:00:00",""
"7700065","9.8087","0.0004","13.3481","0.0006","14.8569","0.0007","85.486","0.002","87.309","0.002","82.961","0.002","1923.16","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H99 Co2 Dy2 N10 O31.5 -","- C60 H74 Co2 Dy2 N10 O24 -","- C60 H74 Co2 Dy2 N10 O24 -","1","0.5","","Wang, Hui-Sheng; Yin, Cheng-Ling; Hu, Zhao-Bo; Chen, Yong; Pan, Zhi-Quan; Song, You; Zhang, Yi-Quan; Zhang, Zai-Chao","Regulation of magnetic relaxation behavior by replacing 3d transition metal ions in [M<sub>2</sub>Dy<sub>2</sub>] complexes containing two different organic chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10011","10022","10.1039/c9dt00774a","","","0.71073","MoKα","","0.0636","0.0382","","","0.0564","0.0598","","","","","","1.033","","","","has coordinates,has disorder","223873","2020-10-21","18:00:00",""
"7700066","20.5586","0.001","10.4671","0.0004","20.7828","0.0013","90","","119.05","0.008","90","","3909.6","0.5","120.04","0.1","120.04","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H26 Fe N12 S6 -","- C38 H24 Fe N12 S6 -","- C152 H96 Fe4 N48 S24 -","4","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.1221","0.1149","","","0.2749","0.2781","","","","","","1.201","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700067","14.1818","0.0019","20.15","0.003","10.725","0.003","90","","90","","90","","3064.8","1.1","100.03","0.1","100.03","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C11 H11 B Fe0.5 N3 S2 -","- C11 H11 B Fe0.5 N3 S2 -","- C88 H88 B8 Fe4 N24 S16 -","8","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.1116","0.0956","","","0.2609","0.2791","","","","","","1.052","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700068","14.419","0.003","20.404","0.005","10.936","0.003","90","","90","","90","","3217.4","1.4","293","0.1","293","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C11 H11 B Fe0.5 N3 S2 -","- C11 H11 B Fe0.5 N3 S2 -","- C88 H88 B8 Fe4 N24 S16 -","8","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.0988","0.0657","","","0.1877","0.2113","","","","","","0.992","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700069","9.6098","0.0004","10.6898","0.0004","11.3119","0.0004","62.116","0.004","65.922","0.004","78.656","0.003","937.73","0.08","240.03","0.1","240.03","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Fe0.5 N3 S2 Se -","- C11 H8 Fe0.5 N3 S2 Se -","- C22 H16 Fe N6 S4 Se2 -","2","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.0418","0.0333","","","0.0904","0.0937","","","","","","1.081","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700070","9.5289","0.0003","10.6431","0.0004","11.2246","0.0004","61.959","0.004","65.962","0.003","78.807","0.003","917.59","0.07","99.96","0.1","99.96","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H0.5 Fe0.5 N3 S2 Se -","- C11 H8 Fe0.5 N3 S2 Se -","- C22 H16 Fe N6 S4 Se2 -","2","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.0447","0.0361","","","0.0842","0.0863","","","","","","1.095","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700071","21.0065","0.0017","10.6693","0.0004","21.15","0.0019","90","","119.661","0.011","90","","4119.1","0.7","292.97","0.1","292.97","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H26 Fe N12 S6 -","- C38 H25 Fe N12 S6 -","- C152 H100 Fe4 N48 S24 -","4","1","","Sun, Xiao-Peng; Liu, Tao; Yao, Zi-Shuo; Tao, Jun","Spin crossover and photomagnetic behaviors in one-dimensional looped coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9243","9249","10.1039/c9dt01520e","","x-ray","0.71073","MoKα","","0.1193","0.1065","","","0.2842","0.2916","","","","","","1.136","","","","has coordinates","224210","2020-10-21","18:00:00",""
"7700072","17.865","0.004","24.913","0.005","7.4","0.0015","90","","90","","90","","3293.5","1.2","120","2","120","2","","","","","","","","6","P m m n","-P 2ab 2a","59","","bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) acetonitrile solvate solvate solvate tetrahydrofuran solvate solvate solvate","","- C61.8 H48.1 I4 N7.5 O8.7 Zn2 -","- C61.744 H48.024 I4 N7.464 O8.704 Zn2 -","- C123.488 H96.048 I8 N14.928 O17.408 Zn4 -","2","","","Tian, Li; Liu, Zhong Yi; Shi, Jian Yun; Chen, Pengyun; Wu, Mingze","A series of hetero-multi-spin Ln2Cu3 complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT00981G","","","0.63","synchrotron","","0.0442","0.044","","","0.1312","0.1315","","","","","","1.08","","","","has coordinates,has disorder","215512","2020-10-21","18:00:00",""
"7700073","17.7316","0.001","7.4525","0.0004","24.9626","0.0015","90","","93.466","0.004","90","","3292.6","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) diiodomethane solvate benzene solvate","","- C60 H42 I8 N4 O8 Zn2 -","- C60.022 H42.044 I8.044 N4 O8 Zn2 -","- C120.044 H84.088 I16.088 N8 O16 Zn4 -","2","0.5","","Tian, Li; Liu, Zhong Yi; Shi, Jian Yun; Chen, Pengyun; Wu, Mingze","A series of hetero-multi-spin Ln2Cu3 complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT00981G","","","0.71073","MoKα","","0.1752","0.0969","","","0.2413","0.2865","","","","","","1.018","","","","has coordinates,has disorder","215512","2020-10-21","18:00:00",""
"7700074","17.888","0.004","24.896","0.005","7.392","0.0015","90","","90","","90","","3292","1.2","120","2","120","2","","","","","","","","6","P m m n","-P 2ab 2a","59","","bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) phenylacetylene solvate","","- C69.6 H45.2 I4 N4 O8 Zn2 -","- C69.904 H32 I4 N4 O8 Zn2 -","- C139.808 H64 I8 N8 O16 Zn4 -","2","","","Tian, Li; Liu, Zhong Yi; Shi, Jian Yun; Chen, Pengyun; Wu, Mingze","A series of hetero-multi-spin Ln2Cu3 complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT00981G","","","0.65","synchrotron","","0.0613","0.0468","","","0.1517","0.1618","","","","","","1.169","","","","has coordinates,has disorder","215512","2020-10-21","18:00:00",""
"7700075","12.9194","0.0019","15.11","0.002","18.808","0.003","81.415","0.003","85.327","0.002","66.844","0.003","3336.9","0.9","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","[TpBa(Ph2CCH2CCH3Ph2)]","","- C76 H95 B Ba N6 -","- C76 H95 B Ba N6 -","- C152 H190 B2 Ba2 N12 -","2","1","","Shi, Xianghui; Cheng, Jianhua","Reversible addition and hydrogenation of 1,1-diphenylethylene with a barium complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8565","8568","10.1039/c9dt01874c","","","0.71073","MoKα","","0.0983","0.0635","","","0.1195","0.1367","","","","","","0.964","","","","has coordinates","223797","2020-10-21","18:00:00",""
"7700076","12.3228","0.0019","15.352","0.003","17.272","0.003","90.219","0.002","101.569","0.002","104.232","0.003","3098","0.9","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[TpBa(CH3Ph2)]","","","- C62 H83 B Ba N6 -","- C62 H83 B Ba N6 -","- C124 H166 B2 Ba2 N12 -","2","1","","Shi, Xianghui; Cheng, Jianhua","Reversible addition and hydrogenation of 1,1-diphenylethylene with a barium complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8565","8568","10.1039/c9dt01874c","","","0.71073","MoKα","","0.0989","0.0709","","","0.1711","0.1873","","","","","","0.953","","","","has coordinates,has disorder","223797","2020-10-21","18:00:00",""
"7700077","9.2225","0.0009","10.9983","0.0011","17.4996","0.0014","90","","117.861","0.004","90","","1569.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cu2 I4 N2 -","- C8 H18 Cu2 I4 N2 -","- C32 H72 Cu8 I16 N8 -","4","1","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0806","0.0648","","","0.2193","0.2323","","","","","","1.058","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700078","16.9103","0.0011","6.3543","0.0004","12.5868","0.0008","90","","90","","90","","1352.49","0.15","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 Cu2 I3 N -","- C7 H10 Cu2 I3 N -","- C28 H40 Cu8 I12 N4 -","4","0.5","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0258","0.0217","","","0.0495","0.0513","","","","","","1.067","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700079","17.951","0.002","7.9123","0.001","10.4907","0.0014","90","","90","","90","","1490","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Br5 Cu3 N2 -","- C6 H14 Br5 Cu3 N2 -","- C24 H56 Br20 Cu12 N8 -","4","0.5","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0537","0.0443","","","0.1105","0.1176","","","","","","1.033","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700080","13.102","0.01","18.403","0.014","16.48","0.013","90","","90","","90","","3974","5","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H8 Cu I2 N -","- C6 H8 Cu I2 N -","- C96 H128 Cu16 I32 N16 -","16","1","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0382","0.0333","","","0.0958","0.0998","","","","","","1.067","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700081","18.748","0.003","8.3956","0.0012","11.0005","0.0016","90","","90","","90","","1731.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cu3 I5 N2 -","- C6 H14 Cu3 I5 N2 -","- C24 H56 Cu12 I20 N8 -","4","0.5","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0226","0.0208","","","0.0495","0.0504","","","","","","1.018","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7700082","19.1009","0.0015","18.6389","0.0013","20.5642","0.0015","90","","90","","90","","7321.3","0.9","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C32.5 H26 Cl Cu2 F3 N6 O5 S -","- C32.5 H26 Cl Cu2 F3 N6 O5 S -","- C260 H208 Cl8 Cu16 F24 N48 O40 S8 -","8","2","","Beerhues, Julia; Fauché, Kevin; Cisnetti, Federico; Sarkar, Biprajit; Gautier, Arnaud","A dicopper(i)-dimesoionic carbene complex as a click catalyst: mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8931","8936","10.1039/c9dt01882d","","","0.71073","MoKα","","0.0404","0.0349","","","0.0951","0.0992","","","","","","1.031","","","","has coordinates,has disorder","223783","2020-10-21","18:00:00",""
"7700083","7.5541","0.0002","10.4332","0.0003","10.6451","0.0003","90","","105.628","0.003","90","","807.96","0.04","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B Fe2 O -","- C20 H19 B Fe2 O -","- C40 H38 B2 Fe4 O2 -","2","0.5","","Konhefr, Martin; Sedgwick, Adam C.; James, Tony D.; Lacina, Karel; Skládal, Petr; Putra, Budi Riza; Harito, Christian; Bavykin, Dmitry V.; Walsh, Frank C.; Raithby, Paul R.; Kociok-Köhn, Gabriele; Marken, Frank","Voltammetric characterisation of diferrocenylborinic acid in organic solution and in aqueous media when immobilised into a titanate nanosheet film.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11200","11207","10.1039/c9dt00881k","","x-ray","0.71073","MoKα","","0.0273","0.0236","","","0.0541","0.0556","","","","","","1.091","","","","has coordinates,has disorder","224339","2020-10-21","18:00:00",""
"7700084","14.88291","0.00013","20.783","0.0002","21.0008","0.00016","90","","92.8655","0.0007","90","","6487.67","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H58 Cl11 O3 P4 Rh -","- C59.001 H58.002 Cl11.002 O3 P4 Rh -","- C236.004 H232.008 Cl44.008 O12 P16 Rh4 -","4","1","","Li, Zhongjing; Yokley, Timothy W.; Tran, Sheila L.; Zong, Jie; Schley, Nathan D.; Brewster, Timothy P.","Synthesis and characterization of rhodium-aluminum heterobimetallic complexes tethered by a 1,3-bis(diphenylphosphino)-2-propanoxy group.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8782","8790","10.1039/c9dt00938h","","x-ray","1.54184","CuKα","","0.0805","0.0693","","","0.1859","0.1965","","","","","","1.039","","","","has coordinates,has disorder","223782","2020-10-21","18:00:00",""
"7700085","11.0851","0.0004","12.1298","0.0004","21.8397","0.0007","88.981","0.003","77.421","0.003","69.857","0.003","2685.53","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Cl7 P4 Rh -","- C56 H54 Cl7 P4 Rh -","- C112 H108 Cl14 P8 Rh2 -","2","1","","Li, Zhongjing; Yokley, Timothy W.; Tran, Sheila L.; Zong, Jie; Schley, Nathan D.; Brewster, Timothy P.","Synthesis and characterization of rhodium-aluminum heterobimetallic complexes tethered by a 1,3-bis(diphenylphosphino)-2-propanoxy group.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8782","8790","10.1039/c9dt00938h","","x-ray","0.71073","MoKα","","0.0528","0.0417","","","0.0856","0.092","","","","","","1.035","","","","has coordinates","223782","2020-10-21","18:00:00",""
"7700086","11.4257","0.0006","19.1875","0.001","22.2983","0.001","82.035","0.004","76.317","0.004","79.953","0.004","4652.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H67 B Cl9 F24 O2 P4 Rh -","- C89 H67 B Cl9 F24 O2 P4 Rh -","- C178 H134 B2 Cl18 F48 O4 P8 Rh2 -","2","1","","Li, Zhongjing; Yokley, Timothy W.; Tran, Sheila L.; Zong, Jie; Schley, Nathan D.; Brewster, Timothy P.","Synthesis and characterization of rhodium-aluminum heterobimetallic complexes tethered by a 1,3-bis(diphenylphosphino)-2-propanoxy group.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8782","8790","10.1039/c9dt00938h","","x-ray","1.54184","CuKα","","0.1239","0.0929","","","0.2224","0.2448","","","","","","1.026","","","","has coordinates,has disorder","223782","2020-10-21","18:00:00",""
"7700087","13.6626","0.0003","22.0555","0.0005","12.6148","0.0003","90","","92.166","0.002","90","","3798.57","0.15","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H48 Au Cl3 F Ge P -","- C38 H48 Au Cl3 F Ge P -","- C152 H192 Au4 Cl12 F4 Ge4 P4 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","1.54184","CuKα","","0.0222","0.0204","","","0.0457","0.0464","","","","","","1.029","","","","has coordinates,has disorder","224212","2020-10-21","18:00:00",""
"7700088","14.4337","0.0007","17.5668","0.001","20.4495","0.001","90","","105.385","0.005","90","","4999.2","0.5","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H75 Au Cl N2 P Si4 Sn -","- C44 H75 Au Cl N2 P Si4 Sn -","- C176 H300 Au4 Cl4 N8 P4 Si16 Sn4 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.0789","0.0589","","","0.1202","0.1268","","","","","","1.101","","","","has coordinates,has disorder","224212","2020-10-21","18:00:00",""
"7700089","12.3889","0.0002","14.0629","0.0003","19.0624","0.0003","82.064","0.002","78.105","0.002","72.256","0.002","3085.1","0.1","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H72 Au2 F6 N2 O4 P2 S2 Si2 -","- C56 H72 Au2 F6 N2 O4 P2 S2 Si2 -","- C112 H144 Au4 F12 N4 O8 P4 S4 Si4 -","2","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.0239","0.0189","","","0.0434","0.0448","","","","","","1.037","","","","has coordinates,has disorder","224212","2020-10-21","18:00:00",""
"7700090","15.006","0.0008","15.1859","0.0007","29.4759","0.0016","90","","90","","90","","6717","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H78 Cl7 P3 Pt2 Sn3 -","- C36 H78 Cl7 P3 Pt2 Sn3 -","- C144 H312 Cl28 P12 Pt8 Sn12 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.097","0.0646","","","0.1504","0.159","","","","","","1.079","","","","has coordinates","224212","2020-10-21","18:00:00",""
"7700091","11.9826","0.001","12.8906","0.0011","16.9382","0.0014","90","","90","","90","","2616.3","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Au Cl3 Ge P -","- C24 H27 Au Cl3 Ge P -","- C96 H108 Au4 Cl12 Ge4 P4 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.0176","0.0167","","","0.0411","0.0415","","","","","","1.004","","","","has coordinates","224212","2020-10-21","18:00:00",""
"7700092","12.2275","0.0004","14.0212","0.0004","32.6312","0.0009","90.778","0.001","97.949","0.002","112.88","0.001","5090.8","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C180 H282 Au3 F12 N2 O8 P8 Pt2 S4 -","- C180 H282 Au3 F12 N2 O8 P8 Pt2 S4 -","- C180 H282 Au3 F12 N2 O8 P8 Pt2 S4 -","1","0.5","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.0452","0.0366","","","0.1046","0.1136","","","","","","0.985","","","","has coordinates","224212","2020-10-21","18:00:00",""
"7700093","13.612","0.005","19.1","0.005","19.395","0.005","110.957","0.005","107.386","0.005","97.54","0.005","4330","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H91 Cl18 Fe3 N8 Ni -","- C77 H91 Cl18 Fe3 N8 Ni -","- C154 H182 Cl36 Fe6 N16 Ni2 -","2","1","","Kumar, Amit; Banerjee, Sayantani; Sarkar, Sabyasachi; Rath, Sankar Prasad","Stepwise oxidations of a nickel(ii)-iron(iii) heterobimetallic porphyrin dimer: structure, spectroscopic and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10089","10103","10.1039/c9dt01776c","","","0.71069","MoKα","","0.1036","0.0566","","","0.1251","0.1475","","","","","","1.013","","","","has coordinates","223881","2020-10-21","18:00:00",""
"7700094","12.3901","0.0005","17.318","0.0007","24.312","0.002","90","","95.74","0.005","90","","5190.5","0.5","293","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H65.5 Cl Co2 Mo7 N12 Na O32.75 -","- C12 H48 Cl Co2 Mo7 N12 Na O32.78 -","- C48 H192 Cl4 Co8 Mo28 N48 Na4 O131.12 -","4","1","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.7107","MoKα","","0.0667","0.0421","","","0.1094","0.1145","","","","","","0.967","","","","has coordinates,has disorder","223871","2020-10-21","18:00:00",""
"7700095","9.3394","0.0003","12.0376","0.0004","12.8993","0.0004","90","","93.534","0.003","90","","1447.43","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Co N4 O8 -","- C9 H19 Co N4 O8 -","- C36 H76 Co4 N16 O32 -","4","1","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.7107","MoKα","","0.0353","0.0248","","","0.055","0.0561","","","","","","0.93","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700096","16.2589","0.0009","15.4723","0.0004","10.7082","0.0004","90","","114.916","0.005","90","","2443.1","0.2","295","2","295","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H69 Cl Co2 Mo7 N12 O34 -","- C12 H69 Cl Co2 Mo7 N12 O34 -","- C24 H138 Cl2 Co4 Mo14 N24 O68 -","2","0.5","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.71073","MoKα","","0.015","0.0146","","","0.0353","0.0353","","","","","","1.065","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700097","21.3629","0.0008","11.9111","0.0004","13.1716","0.0005","90","","105.512","0.004","90","","3229.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H50 Co2 Mo N8 O21 -","- C12 H32 Co2 Mo N8 O21 -","- C48 H128 Co8 Mo4 N32 O84 -","4","1","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.7107","MoKα","","0.0798","0.0609","","","0.1439","0.1494","","","","","","1.115","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700098","13.1166","0.0005","15.9037","0.0008","18.8331","0.0009","114.783","0.005","100.36","0.004","94.961","0.004","3450.6","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H160 Co5 Mo22 N30 Na O94 -","- C24 H96 Co4 Mo22 N24 O74 -","- C24 H96 Co4 Mo22 N24 O74 -","1","0.5","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.7107","MoKα","","0.0915","0.0476","","","0.1074","0.1156","","","","","","0.856","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700099","6.332","0.0003","11.9658","0.0005","20.2599","0.0011","90","","90","","90","","1535.04","0.13","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H24 Cl Co N4 O8 -","- C6 H24 Cl Co N4 O8 -","- C24 H96 Cl4 Co4 N16 O32 -","4","1","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.7107","MoKα","","0.0435","0.0332","","","0.0655","0.0669","","","","","","0.935","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700100","11.7242","0.0011","13.7606","0.0006","20.3784","0.001","82.165","0.004","75.456","0.006","76.699","0.006","3086.2","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","fur-S 250 K","","","- C47 H40 Fe2 N28 O7 S4 -","- C46 H36 Fe2 N28 O6 S4 -","- C92 H72 Fe4 N56 O12 S8 -","2","1","","Zaiter, Samantha; Kirk, Charlotte; Taylor, Matthew; Klein, Y. Maximilian; Housecroft, Catherine E.; Sciortino, Natasha F.; Clements, John E.; Cooper, Richard I.; Kepert, Cameron J.; Neville, Suzanne M.","Heteroatom substitution effects in spin crossover dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7337","7343","10.1039/c8dt05010d","","","0.71073","MoKα","","0.0932","0.0591","","","0.1423","0.1661","","","","","","1.071","","","","has coordinates,has disorder","215578","2020-10-21","18:00:00",""
"7700101","11.8072","0.0006","13.7471","0.0007","20.5258","0.001","82.769","0.004","75.162","0.004","76.841","0.004","3127.9","0.3","250","2","250","2","","","","","","","","6","P -1","-P 1","2","fur-Se 250 K","[Fe2(NCSe)4(furtrz)5].furtrz.MeOH","","- C47 H40 Fe2 N28 O7 Se4 -","- C46 H36 Fe2 N28 O6 Se4 -","- C92 H72 Fe4 N56 O12 Se8 -","2","1","","Zaiter, Samantha; Kirk, Charlotte; Taylor, Matthew; Klein, Y. Maximilian; Housecroft, Catherine E.; Sciortino, Natasha F.; Clements, John E.; Cooper, Richard I.; Kepert, Cameron J.; Neville, Suzanne M.","Heteroatom substitution effects in spin crossover dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7337","7343","10.1039/c8dt05010d","","","0.71073","MoKα","","0.1445","0.0661","","","0.1635","0.2074","","","","","","0.84","","","","has coordinates","215578","2020-10-21","18:00:00",""
"7700102","20.9095","0.0009","13.9867","0.0004","21.1519","0.0008","90","","108.665","0.004","90","","5860.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","thtrz-S 100 K","[Fe2(NCS)4(thtrz)5].4MeOH","","- C43 H46 Fe2 N24 O4 S9 -","- C39 H30 Fe2 N24 S9 -","- C156 H120 Fe8 N96 S36 -","4","0.5","","Zaiter, Samantha; Kirk, Charlotte; Taylor, Matthew; Klein, Y. Maximilian; Housecroft, Catherine E.; Sciortino, Natasha F.; Clements, John E.; Cooper, Richard I.; Kepert, Cameron J.; Neville, Suzanne M.","Heteroatom substitution effects in spin crossover dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7337","7343","10.1039/c8dt05010d","","","0.71073","MoKα","","0.1416","0.0646","","","0.1143","0.1349","","","","","","0.953","","","","has coordinates,has disorder","215578","2020-10-21","18:00:00",""
"7700103","11.6669","0.0006","13.585","0.0006","20.2298","0.001","82.736","0.004","75.108","0.004","77.118","0.004","3012.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","fur-Se 100 K","[Fe2(NCSe)4(furtrz)5].furtrz.MeOH","","- C47 H40 Fe2 N28 O7 Se4 -","- C46 H36 Fe2 N28 O6 Se4 -","- C92 H72 Fe4 N56 O12 Se8 -","2","1","","Zaiter, Samantha; Kirk, Charlotte; Taylor, Matthew; Klein, Y. Maximilian; Housecroft, Catherine E.; Sciortino, Natasha F.; Clements, John E.; Cooper, Richard I.; Kepert, Cameron J.; Neville, Suzanne M.","Heteroatom substitution effects in spin crossover dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7337","7343","10.1039/c8dt05010d","","","0.71073","MoKα","","0.0871","0.0522","","","0.1086","0.1227","","","","","","1","","","","has coordinates","215578","2020-10-21","18:00:00",""
"7700104","11.5733","0.0004","13.6118","0.0003","20.0702","0.0005","82.15","0.002","75.238","0.003","77.043","0.002","2968.92","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","fur-S 100 K","","","- C47 H40 Fe2 N28 O7 S4 -","- C46 H36 Fe2 N28 O6 S4 -","- C92 H72 Fe4 N56 O12 S8 -","2","1","","Zaiter, Samantha; Kirk, Charlotte; Taylor, Matthew; Klein, Y. Maximilian; Housecroft, Catherine E.; Sciortino, Natasha F.; Clements, John E.; Cooper, Richard I.; Kepert, Cameron J.; Neville, Suzanne M.","Heteroatom substitution effects in spin crossover dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7337","7343","10.1039/c8dt05010d","","","0.71073","MoKα","","0.0632","0.0464","","","0.1022","0.1102","","","","","","1.046","","","","has coordinates,has disorder","215578","2020-10-21","18:00:00",""
"7700105","16.2894","0.0005","16.2894","0.0005","17.4199","0.0005","90","","90","","90","","4622.3","0.2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Mn N10 -","- C18 H28 Mn N10 -","- C144 H224 Mn8 N80 -","8","1","","Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci","Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9072","9078","10.1039/c9dt01648a","","","0.41112","synchrotron","","0.0851","0.0648","","","0.1649","0.1999","","","","","","1.135","","","","has coordinates,has disorder","224206","2020-10-21","18:00:00",""
"7700106","15.263","0.002","14.4698","0.0012","16.71","0.004","90","","90.324","0.017","90","","3690.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Mn N10 -","- C18 H28 Mn N10 -","- C144 H224 Mn8 N80 -","8","2","","Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci","Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9072","9078","10.1039/c9dt01648a","","","0.41112","synchrotron","","0.1503","0.1045","","","0.268","0.3075","","","","","","1.551","","","","has coordinates,has disorder","224206","2020-10-21","18:00:00",""
"7700107","15.6154","0.0013","17.1417","0.0015","14.9699","0.0008","90","","90","","90","","4007.1","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H28 Mn N10 -","- C17.9999 H27.9998 Mn N10 -","- C143.999 H223.998 Mn8 N80 -","8","1","","Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci","Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9072","9078","10.1039/c9dt01648a","","","0.41112","synchrotron","","0.0944","0.0629","","","0.1709","0.201","","","","","","1.042","","","","has coordinates,has disorder","224206","2020-10-21","18:00:00",""
"7700108","5.2867","0.0008","9.1501","0.0012","6.503","0.0008","90","","106.065","0.01","90","","302.29","0.07","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Ag3LiIr2O6","","","- Ag3 Ir2 Li O6 -","- Ag3 Ir2 Li O6 -","- Ag6 Ir4 Li2 O12 -","2","0.25","","Bette, Sebastian; Takayama, Tomohiro; Duppel, Viola; Poulain, Agnieszka; Takagi, Hidenori; Dinnebier, Robert E.","Crystal structure and stacking faults in the layered honeycomb, delafossite-type materials Ag<sub>3</sub>LiIr<sub>2</sub>O<sub>6</sub> and Ag<sub>3</sub>LiRu<sub>2</sub>O<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9250","9259","10.1039/c9dt01789e","powder diffraction","x-ray","0.5594","AgKα","","","","","","","","0.0233","","","","","","","","","has coordinates","224215","2020-10-21","18:00:00",""
"7700109","5.2259","0.0006","9.0356","0.001","6.5267","0.0006","90","","105.716","0.01","90","","296.66","0.06","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Ag3LiRu2O6","","","- Ag3 Li O6 Ru2 -","- Ag3 Li O6 Ru2 -","- Ag6 Li2 O12 Ru4 -","2","0.25","","Bette, Sebastian; Takayama, Tomohiro; Duppel, Viola; Poulain, Agnieszka; Takagi, Hidenori; Dinnebier, Robert E.","Crystal structure and stacking faults in the layered honeycomb, delafossite-type materials Ag<sub>3</sub>LiIr<sub>2</sub>O<sub>6</sub> and Ag<sub>3</sub>LiRu<sub>2</sub>O<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9250","9259","10.1039/c9dt01789e","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0247","","","","","","","","","has coordinates","224215","2020-10-21","18:00:00",""
"7700110","16.7908","0.0007","15.7747","0.0006","10.9869","0.0005","90","","90","","90","","2910.1","0.2","200","2","199.99","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C92 H112 F48 N12 P8 Rh4 -","- C92 H112 F48 N12 P8 Rh4 -","- C92 H112 F48 N12 P8 Rh4 -","1","0.125","","Lionetti, Davide; Day, Victor W.; Blakemore, James D.","Structural and chemical properties of half-sandwich rhodium complexes supported by the bis(2-pyridyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12396","12406","10.1039/c9dt01821b","","x-ray","1.54184","CuKα","","0.0408","0.035","","","0.0831","0.0867","","","","","","1.033","","","","has coordinates,has disorder","223978","2020-10-21","18:00:00",""
"7700111","13.882","0.002","12.3599","0.0019","13.397","0.002","90","","90","","90","","2298.7","0.6","200","2","199.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C10.5 H12.5 Cl0.5 F3 N P0.5 Rh0.5 -","- C10.5 H12.5 Cl0.5 F3 N P0.5 Rh0.5 -","- C84 H100 Cl4 F24 N8 P4 Rh4 -","8","1","","Lionetti, Davide; Day, Victor W.; Blakemore, James D.","Structural and chemical properties of half-sandwich rhodium complexes supported by the bis(2-pyridyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12396","12406","10.1039/c9dt01821b","","x-ray","0.71073","MoKα","","0.0488","0.0371","","","0.0916","0.1012","","","","","","1.039","","","","has coordinates","223978","2020-10-21","18:00:00",""
"7700112","15.043","0.002","15.635","0.002","25.974","0.004","90","","90","","90","","6109","1.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 Eu2 N16 O22 -","- C52 H62 Eu2 N16 O22 -","- C208 H248 Eu8 N64 O88 -","4","1","","Starynowicz, Przemysław; Lisowski, Jerzy","Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8717","8724","10.1039/c9dt01318k","","","0.71073","MoKα","","0.0381","0.0352","","","0.0759","0.0772","","","","","","1.101","","","","has coordinates,has disorder","223788","2020-10-21","18:00:00",""
"7700113","14.129","0.003","15.027","0.003","16.584","0.003","90","","109.97","0.02","90","","3309.3","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H82 N17 Na O25 Yb2 -","- C54 H77 N17 Na O25 Yb2 -","- C108 H154 N34 Na2 O50 Yb4 -","2","1","","Starynowicz, Przemysław; Lisowski, Jerzy","Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8717","8724","10.1039/c9dt01318k","","","0.71073","MoKα","","0.0321","0.0281","","","0.0697","0.0723","","","","","","1.057","","","","has coordinates","223788","2020-10-21","18:00:00",""
"7700114","14.841","0.004","15.566","0.003","25.872","0.004","90","","90","","90","","5977","2","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 N16 Nd2 O19 -","- C52 H62 N16 Nd2 O19 -","- C208 H248 N64 Nd8 O76 -","4","1","","Starynowicz, Przemysław; Lisowski, Jerzy","Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8717","8724","10.1039/c9dt01318k","","","0.71073","MoKα","","0.0487","0.0389","","","0.0696","0.0748","","","","","","1.045","","","","has coordinates","223788","2020-10-21","18:00:00",""
"7700115","10.7368","0.0006","10.5661","0.0006","14.2037","0.0008","90","","92.133","0.005","90","","1610.24","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dipicolylamine squaramate","3-(bis(pyridin-2-ylmethyl)amino)-4-ethoxycyclobut-3-ene-1,2-dione","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","1","","Esteves, Catarina V.; Costa, Judite; Esteban-Gómez, David; Lamosa, Pedro; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphäel; Delgado, Rita","Phosphate and polyphosphate anion recognition by a dinuclear copper(ii) complex of an unsymmetrical squaramide.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10104","10115","10.1039/c9dt01434a","","x-ray","0.71073","MoKα","","0.092","0.051","","","0.0919","0.111","","","","","","1.024","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7700116","10.5507","0.0007","12.48","0.0009","21.6816","0.0014","100.391","0.005","97.054","0.005","113.523","0.005","2513.9","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C56 H54 Cu2 O6 P4 -","- C56 H54 Cu2 O6 P4 -","- C112 H108 Cu4 O12 P8 -","2","2","","Bassoli, Simona; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Phosphorescence enhancement by close metal-metal interaction in T<sub>1</sub> excited state in a dinuclear copper(i) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9276","9283","10.1039/c9dt01565e","","","0.71073","MoKα","","0.0756","0.0603","","","0.158","0.1698","","","","","","0.969","","","","has coordinates,has disorder","224209","2020-10-21","18:00:00",""
"7700117","13.3598","0.0011","10.905","0.0009","15.8704","0.0014","90","","95.426","0.002","90","","2301.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Br Cu N S2 -","- C27 H21 Br Cu N S2 -","- C108 H84 Br4 Cu4 N4 S8 -","4","1","","Gupta, Sonu; Dubey, Pooja; Singh, Ajai K.; Jain, Nidhi","Oxidative C-C bond formation and C-N bond cleavage catalyzed by complexes of copper(i) with acridine based (E N E) pincers (E = S/Se), recyclable as a catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10129","10137","10.1039/c9dt01766f","","","0.71073","MoKα","","0.1432","0.068","","","0.1512","0.1889","","","","","","1.054","","","","has coordinates","223869","2020-10-21","18:00:00",""
"7700118","13.5796","0.0015","11.0678","0.0012","16.174","0.0019","90","","95.35","0.003","90","","2420.3","0.5","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Br Cu N Se2 -","- C27 H21 Br Cu N Se2 -","- C108 H84 Br4 Cu4 N4 Se8 -","4","1","","Gupta, Sonu; Dubey, Pooja; Singh, Ajai K.; Jain, Nidhi","Oxidative C-C bond formation and C-N bond cleavage catalyzed by complexes of copper(i) with acridine based (E N E) pincers (E = S/Se), recyclable as a catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10129","10137","10.1039/c9dt01766f","","","0.71073","MoKα","","0.1816","0.0794","","","0.1674","0.2097","","","","","","1.055","","","","has coordinates","223869","2020-10-21","18:00:00",""
"7700119","14.655","0.006","10.248","0.005","26.929","0.012","90","","98.887","0.007","90","","3996","3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C100 H88 Mg2 P4 -","- C100 H88 Mg2 P4 -","- C200 H176 Mg4 P8 -","2","0.5","","Quinlivan, Patrick J.; Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Reactivity of the carbodiphosphorane, (Ph<sub>3</sub>P)<sub>2</sub>C, towards main group metal alkyl compounds: coordination and cyclometalation.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9139","9151","10.1039/c9dt00678h","","","0.71073","MoKα","","0.1206","0.0607","","","0.1423","0.1675","","","","","","1.09","","","","has coordinates","224214","2020-10-21","18:00:00",""
"7700120","9.8391","0.0004","10.8636","0.0005","18.2683","0.0008","84.5871","0.0007","79.072","0.0007","68.9662","0.0007","1788.77","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 P2 Zn -","- C44 H38 P2 Zn -","- C88 H76 P4 Zn2 -","2","1","","Quinlivan, Patrick J.; Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Reactivity of the carbodiphosphorane, (Ph<sub>3</sub>P)<sub>2</sub>C, towards main group metal alkyl compounds: coordination and cyclometalation.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9139","9151","10.1039/c9dt00678h","","","0.71073","MoKα","","0.0844","0.0513","","","0.1305","0.1442","","","","","","1.176","","","","has coordinates","224214","2020-10-21","18:00:00",""
"7700121","12.8053","0.0019","22.212","0.003","18.064","0.003","90","","105.577","0.002","90","","4949.3","1.3","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H59 N P2 Si2 Zn -","- C55 H59 N P2 Si2 Zn -","- C220 H236 N4 P8 Si8 Zn4 -","4","1","","Quinlivan, Patrick J.; Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Reactivity of the carbodiphosphorane, (Ph<sub>3</sub>P)<sub>2</sub>C, towards main group metal alkyl compounds: coordination and cyclometalation.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9139","9151","10.1039/c9dt00678h","","","0.71073","MoKα","","0.1598","0.059","","","0.1105","0.141","","","","","","0.992","","","","has coordinates,has disorder","224214","2020-10-21","18:00:00",""
"7700122","16.0714","0.0006","11.5306","0.0004","18.5845","0.0007","90","","109.839","0.0005","90","","3239.6","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Ga P2 -","- C40 H39 Ga P2 -","- C160 H156 Ga4 P8 -","4","1","","Quinlivan, Patrick J.; Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Reactivity of the carbodiphosphorane, (Ph<sub>3</sub>P)<sub>2</sub>C, towards main group metal alkyl compounds: coordination and cyclometalation.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9139","9151","10.1039/c9dt00678h","","","0.71073","MoKα","","0.0529","0.0447","","","0.1381","0.1413","","","","","","1.622","","","","has coordinates","224214","2020-10-21","18:00:00",""
"7700123","10.927","0.002","13.208","0.002","14.974","0.003","87.327","0.003","83.015","0.003","73.912","0.003","2060.9","0.6","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H47 Mg N P2 Si2 -","- C43 H47 Mg N P2 Si2 -","- C86 H94 Mg2 N2 P4 Si4 -","2","1","","Quinlivan, Patrick J.; Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Reactivity of the carbodiphosphorane, (Ph<sub>3</sub>P)<sub>2</sub>C, towards main group metal alkyl compounds: coordination and cyclometalation.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9139","9151","10.1039/c9dt00678h","","","0.71073","MoKα","","0.0646","0.0548","","","0.1479","0.1513","","","","","","1.953","","","","has coordinates,has disorder","224214","2020-10-21","18:00:00",""
"7700124","16.072","0.002","11.5121","0.0017","18.6","0.003","90","","109.899","0.002","90","","3235.9","0.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Al P2 -","- C40 H39 Al P2 -","- C160 H156 Al4 P8 -","4","1","","Quinlivan, Patrick J.; Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Reactivity of the carbodiphosphorane, (Ph<sub>3</sub>P)<sub>2</sub>C, towards main group metal alkyl compounds: coordination and cyclometalation.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9139","9151","10.1039/c9dt00678h","","","0.71073","MoKα","","0.0719","0.0476","","","0.1226","0.133","","","","","","1.229","","","","has coordinates","224214","2020-10-21","18:00:00",""
"7700125","9.8017","0.0008","11.1592","0.0011","11.2845","0.0013","87.485","0.009","72.41","0.009","67.014","0.009","1079.3","0.2","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","Rh(cod)Cl(2,4-F2-IPh)","rhodium(cycloocatdienyl)(1,3-bis(2,4-difluorophenyl)imidazol-2-ylidene)chloride","","- C23 H20 Cl F4 N2 Rh -","- C23 H20 Cl F4 N2 Rh -","- C46 H40 Cl2 F8 N4 Rh2 -","2","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.0981","0.0632","","","0.1255","0.1595","","","","","","1.069","","","","has coordinates,has disorder","224202","2020-10-21","18:00:00",""
"7700126","13.6184","0.0007","17.4744","0.0008","17.393","0.0012","90","","93.479","0.005","90","","4131.4","0.4","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","Rh(cod)Cl(4-F-IPh)","rhodium(cycloocatdienyl)(1,3-bis(4-fluorophenyl)imidazol-2-ylidene)chloride","","- C92 H88 Cl4 F8 N8 Rh4 -","- C92 H88 Cl4 F8 N8 Rh4 -","- C184 H176 Cl8 F16 N16 Rh8 -","2","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.102","0.0748","","","0.1413","0.158","","","","","","1.045","","","","has coordinates","224202","2020-10-21","18:00:00",""
"7700127","11.8815","0.0003","8.3839","0.0003","20.28","0.0006","90","","95.716","0.003","90","","2010.11","0.11","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Rh(cod)Cl(IPh)","rhodium(cycloocatdienyl)(1,3-bis(phenyl)imidazol-2-ylidene)chloride","","- C23 H24 Cl N2 Rh -","- C23 H24 Cl N2 Rh -","- C92 H96 Cl4 N8 Rh4 -","4","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.0439","0.0353","","","0.0661","0.0711","","","","","","1.061","","","","has coordinates","224202","2020-10-21","18:00:00",""
"7700128","13.7678","0.0008","10.2888","0.0006","30.2124","0.0018","90","","97.959","0.006","90","","4238.5","0.4","150","0.3","150","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","Rh(cod)Cl(26-F2-IPh)","rhodium(cycloocatdienyl)(1,3-bis(2,6-difluorophenyl)imidazol-2-ylidene)chloride","","- C23 H20 Cl F4 N2 Rh -","- C23 H20 Cl F4 N2 Rh -","- C184 H160 Cl8 F32 N16 Rh8 -","8","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.0941","0.057","","","0.0824","0.1032","","","","","","1.054","","","","has coordinates","224202","2020-10-21","18:00:00",""
"7700129","7.6327","0.0005","10.212","0.0005","13.8732","0.0008","94.178","0.004","100.162","0.005","98.84","0.005","1046.17","0.11","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","rhodium(cycloocatdienyl)(1,3-bis(2,4,6-trifluorophenyl)imidazol-2-ylidene)chloride","","- C23 H18 Cl F6 N2 Rh -","- C23 H18 Cl F6 N2 Rh -","- C46 H36 Cl2 F12 N4 Rh2 -","2","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.0655","0.0505","","","0.1014","0.1183","","","","","","1.032","","","","has coordinates","224202","2020-10-21","18:00:00",""
"7700130","9.64361","0.00015","16.6534","0.0004","26.222","0.0004","90","","90","","90","","4211.22","0.14","172.99","0.1","172.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F6 N5 P -","- C20 H20 F6 N5 P -","- C160 H160 F48 N40 P8 -","8","2","","Karmis, Rebecca E.; Carrara, Serena; Baxter, Amy A.; Hogan, Conor F.; Hulett, Mark D.; Barnard, Peter J.","Luminescent iridium(iii) complexes of N-heterocyclic carbene ligands prepared using the 'click reaction'.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9998","10010","10.1039/c9dt01362h","","","1.54184","CuKα","","0.0575","0.053","","","0.1451","0.1498","","","","","","1.06","","","","has coordinates","223857","2020-10-21","18:00:00",""
"7700131","11.1054","0.0005","11.9823","0.0009","15.3663","0.0009","99.443","0.005","92.342","0.004","101.879","0.005","1968","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 I2 N5 -","- C16 H21 I2 N5 -","- C64 H84 I8 N20 -","4","2","","Karmis, Rebecca E.; Carrara, Serena; Baxter, Amy A.; Hogan, Conor F.; Hulett, Mark D.; Barnard, Peter J.","Luminescent iridium(iii) complexes of N-heterocyclic carbene ligands prepared using the 'click reaction'.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9998","10010","10.1039/c9dt01362h","","","0.71073","MoKα","","0.0308","0.0245","","","0.0539","0.0575","","","","","","1.04","","","","has coordinates","223857","2020-10-21","18:00:00",""
"7700132","17.1602","0.0005","12.9309","0.0004","17.8048","0.0005","90","","92.613","0.003","90","","3946.7","0.2","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 Cl2 F6 Ir N7 P -","- C39 H37 Cl2 F6 Ir N7 P -","- C156 H148 Cl8 F24 Ir4 N28 P4 -","4","1","","Karmis, Rebecca E.; Carrara, Serena; Baxter, Amy A.; Hogan, Conor F.; Hulett, Mark D.; Barnard, Peter J.","Luminescent iridium(iii) complexes of N-heterocyclic carbene ligands prepared using the 'click reaction'.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9998","10010","10.1039/c9dt01362h","","","0.71073","MoKα","","0.0392","0.0328","","","0.0849","0.0896","","","","","","1.07","","","","has coordinates","223857","2020-10-21","18:00:00",""
"7700133","13.9277","0.0003","14.837","0.0003","19.9949","0.0004","104.707","0.002","100.001","0.002","108.914","0.002","3629.76","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H82 O16 Pd4 -","- C78 H82 O16 Pd4 -","- C156 H164 O32 Pd8 -","2","1","","Goto, Yutaro; Watanabe, Yutaka; Noboriguchi, Aoki; Yoshida, Jun; Mori, Shigeki; Sato, Hisako","Chiral tectonics toward square planar tetranuclear Pd(ii) complexes: propagation of axial chirality through a long molecular axis.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10138","10144","10.1039/c9dt01913h","","","0.71073","MoKα","","0.0829","0.0499","","","0.0923","0.1026","","","","","","1.025","","","","has coordinates,has disorder","223868","2020-10-21","18:00:00",""
"7700134","21.4114","0.0006","16.1953","0.0004","11.4025","0.0002","90","","94.113","0.002","90","","3943.79","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl4 O8 Pd2 -","- C40 H36 Cl4 O8 Pd2 -","- C160 H144 Cl16 O32 Pd8 -","4","1","","Goto, Yutaro; Watanabe, Yutaka; Noboriguchi, Aoki; Yoshida, Jun; Mori, Shigeki; Sato, Hisako","Chiral tectonics toward square planar tetranuclear Pd(ii) complexes: propagation of axial chirality through a long molecular axis.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10138","10144","10.1039/c9dt01913h","","","0.71073","MoKα","","0.0638","0.042","","","0.083","0.09","","","","","","1.023","","","","has coordinates","223868","2020-10-21","18:00:00",""
"7700135","14.1466","0.0018","15.6568","0.0019","23.301","0.003","99.803","0.003","99.129","0.004","108.462","0.003","4697.4","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H250 N2 O60 Ti18 -","- C146 H250 N2 O60 Ti18 -","- C146 H250 N2 O60 Ti18 -","1","0.5","","Wang, Huan; Zou, Dan-Hong; Jiang, Guo-Qin; Dai, Jie","Cluster-to-cluster charge transfer in a compound with a co-crystallized dye-anchored Ti<sub>6</sub> cluster and a classical Ti<sub>12</sub> cluster.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8569","8572","10.1039/c9dt00812h","","","0.71073","MoKα","","0.1142","0.0571","","","0.1367","0.1658","","","","","","1.028","","","","has coordinates,has disorder","223786","2020-10-21","18:00:00",""
"7700136","14.256","0.005","19.149","0.005","14.83","0.005","90","","110.087","0.005","90","","3802","2","293","2","293.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Cl2 Co2 N28 O24 -","- C68 H71.2 Cl2 Co2 N28 O24 -","- C136 H142.4 Cl4 Co4 N56 O48 -","2","0.5","","Wu, Xue-Song; Bao, Hong-Fei; Zhu, Fu-Long; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Syntheses and magnetic properties of high-dimensional cucurbit[6]uril-based metal-organic rotaxane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9939","9943","10.1039/c9dt01544b","","x-ray","0.71069","MoKα","","0.0515","0.0406","","","0.1039","0.1137","","","","","","1.043","","","","has coordinates,has disorder","223866","2020-10-21","18:00:00",""
"7700137","19.034","0.005","14.409","0.005","27.801","0.005","90","","90","","90","","7625","4","293","2","293.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H80 Co2 N28 O31 -","- C70 H78 Co2 N28 O31 -","- C280 H312 Co8 N112 O124 -","4","0.5","","Wu, Xue-Song; Bao, Hong-Fei; Zhu, Fu-Long; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Syntheses and magnetic properties of high-dimensional cucurbit[6]uril-based metal-organic rotaxane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9939","9943","10.1039/c9dt01544b","","x-ray","0.71069","MoKα","","0.1361","0.1019","","","0.2236","0.2386","","","","","","1.138","","","","has coordinates","223866","2020-10-21","18:00:00",""
"7700138","13.868","0.005","14.824","0.005","25.364","0.005","90","","92.949","0.005","90","","5207","3","293","2","293.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 Co N14 O22 -","- C41 H37 Co N14 O12 -","- C164 H148 Co4 N56 O48 -","4","1","","Wu, Xue-Song; Bao, Hong-Fei; Zhu, Fu-Long; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Syntheses and magnetic properties of high-dimensional cucurbit[6]uril-based metal-organic rotaxane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9939","9943","10.1039/c9dt01544b","","x-ray","0.71069","MoKα","","0.0636","0.0521","","","0.159","0.1716","","","","","","1.086","","","","has coordinates","223866","2020-10-21","18:00:00",""
"7700139","13.774","0.003","14.789","0.003","19.06","0.004","90","","93.81","0.03","90","","3874","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Br2 F N3 Zn -","- C21 H14 Br2 F N3 Zn -","- C168 H112 Br16 F8 N24 Zn8 -","8","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0388","0.0309","","","0.0773","0.0818","","","","","","1.073","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700140","14.083","0.003","15.755","0.003","19.635","0.004","90","","90","","90","","4356.6","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I3 N3 Zn -","- C21 H14 I3 N3 Zn -","- C168 H112 I24 N24 Zn8 -","8","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0519","0.0353","","","0.1018","0.1133","","","","","","1.039","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700141","14.04","0.003","15.296","0.003","19.559","0.004","90","","90","","90","","4200.4","1.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H14 Cl I2 N3 Zn -","- C21 H14 Cl I2 N3 Zn -","- C168 H112 Cl8 I16 N24 Zn8 -","8","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0599","0.0367","","","0.088","0.1046","","","","","","1.056","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700142","9.0757","0.0018","15.534","0.003","14.621","0.003","90","","103.49","0.03","90","","2004.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br3 N3 Zn -","- C21 H14 Br3 N3 Zn -","- C84 H56 Br12 N12 Zn4 -","4","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0756","0.0392","","","0.075","0.0883","","","","","","1.003","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700143","14.0571","0.0004","14.9076","0.0003","19.674","0.0006","90","","90","","90","","4122.84","0.19","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H56 F4 I8 N12 Zn4 -","- C84 H56 F4 I8 N12 Zn4 -","- C168 H112 F8 I16 N24 Zn8 -","2","0.25","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0419","0.0326","","","0.0836","0.0869","","","","","","1.08","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700144","9.325","0.0019","15.85","0.003","14.48","0.003","90","","103.45","0.03","90","","2081.5","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br2 I N3 Zn -","- C21 H14 Br2 I N3 Zn -","- C84 H56 Br8 I4 N12 Zn4 -","4","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0709","0.0435","","","0.1114","0.128","","","","","","1.012","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700145","9.0871","0.0018","15.805","0.003","15.288","0.003","90","","102.77","0.03","90","","2141.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br I2 N3 Zn -","- C21 H14 Br I2 N3 Zn -","- C84 H56 Br4 I8 N12 Zn4 -","4","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0479","0.0313","","","0.0705","0.0793","","","","","","1.01","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700146","10.6818","0.0003","16.2953","0.0004","7.0758","0.0002","90","","99.574","0.003","90","","1214.48","0.06","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Ca K2 N12 O16 -","- C12 H16 Ca K2 N12 O16 -","- C24 H32 Ca2 K4 N24 O32 -","2","0.25","","Meng, Xianghe; Liang, Fei; Kang, Kaijin; Tang, Jian; Huang, Qian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A<sub>2</sub>B(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·nH<sub>2</sub>O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9048","9052","10.1039/c9dt01871a","","","1.54178","CuKα","","0.0595","0.0546","","","0.1482","0.1732","","","","","","1.145","","","","has coordinates","224200","2020-10-21","18:00:00",""
"7700147","11.7623","0.0007","15.9722","0.0009","6.9802","0.0004","90","","116.876","0.006","90","","1169.72","0.13","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 K2 Mg N12 O16 -","- C12 H16 K2 Mg N12 O16 -","- C24 H32 K4 Mg2 N24 O32 -","2","0.25","","Meng, Xianghe; Liang, Fei; Kang, Kaijin; Tang, Jian; Huang, Qian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A<sub>2</sub>B(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·nH<sub>2</sub>O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9048","9052","10.1039/c9dt01871a","","","0.71073","MoKα","","0.0441","0.0414","","","0.1073","0.1106","","","","","","1.056","","","","has coordinates","224200","2020-10-21","18:00:00",""
"7700148","6.7827","0.0002","11.4995","0.0003","11.8268","0.0003","113.871","0.003","102.466","0.002","102.313","0.002","775.59","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cs2 Mg N12 O22 -","- C12 H28 Cs2 Mg N12 O22 -","- C12 H28 Cs2 Mg N12 O22 -","1","0.5","","Meng, Xianghe; Liang, Fei; Kang, Kaijin; Tang, Jian; Huang, Qian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A<sub>2</sub>B(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·nH<sub>2</sub>O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9048","9052","10.1039/c9dt01871a","","","0.71073","MoKα","","0.0236","0.0212","","","0.0532","0.0543","","","","","","1.076","","","","has coordinates","224200","2020-10-21","18:00:00",""
"7700149","10.7222","0.0008","16.4782","0.001","7.1339","0.0005","90","","99.95","0.007","90","","1241.48","0.15","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Ca N12 O16 Rb2 -","- C12 H16 Ca N12 O16 Rb2 -","- C24 H32 Ca2 N24 O32 Rb4 -","2","0.25","","Meng, Xianghe; Liang, Fei; Kang, Kaijin; Tang, Jian; Huang, Qian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A<sub>2</sub>B(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·nH<sub>2</sub>O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9048","9052","10.1039/c9dt01871a","","","0.71073","MoKα","","0.038","0.0344","","","0.0894","0.091","","","","","","1.091","","","","has coordinates","224200","2020-10-21","18:00:00",""
"7700150","26.8675","0.0012","15.9546","0.0007","19.7583","0.0009","90","","131.704","0.0011","90","","6323.4","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66.5 H56.5 Co3 N5.5 O21.5 -","- C62 H40 Co3 N4 O18 -","- C248 H160 Co12 N16 O72 -","4","0.5","","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic property, or luminescence sensing of Co(ii) and Cd(ii) coordination polymers derived from designed 3,3'-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10220","10234","10.1039/c9dt01736d","","","0.71073","MoKα","","0.0849","0.0463","","","0.0996","0.113","","","","","","1.003","","","","has coordinates","223865","2020-10-21","18:00:00",""
"7700151","11.384","0.0009","13.7906","0.0013","14.8254","0.0014","105.03","0.003","93.311","0.003","107.723","0.003","2117.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H42 Co N7 O14 -","- C39 H31 Co N6 O10 -","- C78 H62 Co2 N12 O20 -","2","1","","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic property, or luminescence sensing of Co(ii) and Cd(ii) coordination polymers derived from designed 3,3'-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10220","10234","10.1039/c9dt01736d","","","0.71073","MoKα","","0.138","0.095","","","0.184","0.1996","","","","","","1.111","","","","has coordinates","223865","2020-10-21","18:00:00",""
"7700152","10.45","0.002","12.239","0.003","12.888","0.003","111.6","0.008","107.093","0.008","97.355","0.009","1412.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C66 H44 Cd2 N8 O16 -","2","1","","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic property, or luminescence sensing of Co(ii) and Cd(ii) coordination polymers derived from designed 3,3'-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10220","10234","10.1039/c9dt01736d","","","0.71073","MoKα","","0.0651","0.0351","","","0.0777","0.0859","","","","","","1.03","","","","has coordinates","223865","2020-10-21","18:00:00",""
"7700153","28.6699","0.0012","16.1434","0.0007","20.202","0.0015","90","","133.694","0.0009","90","","6760.5","0.7","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Cd3 N6 O21 -","- C66 H42 Cd3 N4 O18 -","- C264 H168 Cd12 N16 O72 -","4","0.5","","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic property, or luminescence sensing of Co(ii) and Cd(ii) coordination polymers derived from designed 3,3'-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10220","10234","10.1039/c9dt01736d","","","0.71073","MoKα","","0.0482","0.031","","","0.0739","0.0812","","","","","","1.028","","","","has coordinates","223865","2020-10-21","18:00:00",""
"7700154","17.7356","0.0015","19.4143","0.0017","9.8774","0.0008","90","","90.296","0.002","90","","3401","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H58 Co3 N6 O22 -","- C72 H50 Co3 N6 O18 -","- C144 H100 Co6 N12 O36 -","2","0.5","","Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li","Structural diversity, magnetic property, or luminescence sensing of Co(ii) and Cd(ii) coordination polymers derived from designed 3,3'-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10220","10234","10.1039/c9dt01736d","","","0.71073","MoKα","","0.0999","0.0486","","","0.099","0.1174","","","","","","1.016","","","","has coordinates","223865","2020-10-21","18:00:00",""
"7700155","11.7816","0.0013","25.808","0.003","14.0899","0.0015","90","","109.687","0.006","90","","4033.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H58 N6 Si4 Sn2 -","- C32 H58 N6 Si4 Sn2 -","- C128 H232 N24 Si16 Sn8 -","4","1","","Raut, Ravindra K.; Sahoo, Padmini; Chimnapure, Dipti; Majumdar, Moumita","Versatile coordinating abilities of acyclic N<sub>4</sub> and N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10953","10961","10.1039/c9dt00617f","","","1.54178","CuKα","","0.0804","0.0543","","","0.139","0.1568","","","","","","0.983","","","","has coordinates","223745","2020-10-21","18:00:00",""
"7700156","10.4508","0.0007","11.1315","0.0007","15.4211","0.001","81.375","0.004","75.53","0.004","81.525","0.004","1706.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 N4 P4 Sn2 -","- C80 H72 N4 P4 Sn2 -","- C80 H72 N4 P4 Sn2 -","1","0.5","","Raut, Ravindra K.; Sahoo, Padmini; Chimnapure, Dipti; Majumdar, Moumita","Versatile coordinating abilities of acyclic N<sub>4</sub> and N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10953","10961","10.1039/c9dt00617f","","","1.54178","CuKα","","0.0577","0.044","","","0.0924","0.0986","","","","","","1.047","","","","has coordinates","223745","2020-10-21","18:00:00",""
"7700157","8.182","0.015","11.154","0.014","16.25","0.02","72.46","0.13","79.32","0.13","73.7","0.12","1349","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H23 F6 N4 O6 S2 Sn -","- C22 H23 F6 N4 O6 S2 Sn -","- C44 H46 F12 N8 O12 S4 Sn2 -","2","1","","Raut, Ravindra K.; Sahoo, Padmini; Chimnapure, Dipti; Majumdar, Moumita","Versatile coordinating abilities of acyclic N<sub>4</sub> and N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10953","10961","10.1039/c9dt00617f","","","1.54184","CuKα","","0.0873","0.0613","","","0.1384","0.1534","","","","","","0.995","","","","has coordinates","223745","2020-10-21","18:00:00",""
"7700158","16.533","0.004","10.968","0.004","17.061","0.007","90","","117.43","0.03","90","","2745.9","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F3 N4 O3 S Si Sn -","- C24 H31 F3 N4 O3 S Si Sn -","- C96 H124 F12 N16 O12 S4 Si4 Sn4 -","4","1","","Raut, Ravindra K.; Sahoo, Padmini; Chimnapure, Dipti; Majumdar, Moumita","Versatile coordinating abilities of acyclic N<sub>4</sub> and N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10953","10961","10.1039/c9dt00617f","","","1.54184","CuKα","","0.09","0.0572","","","0.1012","0.1125","","","","","","1.045","","","","has coordinates","223745","2020-10-21","18:00:00",""
"7700159","10.2239","0.0008","15.6566","0.0012","41.352","0.003","90","","95.994","0.004","90","","6583.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73.5 H43 B2 F30 N4 Sn -","- C73.5 H43 B2 F30 N4 Sn -","- C294 H172 B8 F120 N16 Sn4 -","4","1","","Raut, Ravindra K.; Sahoo, Padmini; Chimnapure, Dipti; Majumdar, Moumita","Versatile coordinating abilities of acyclic N<sub>4</sub> and N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10953","10961","10.1039/c9dt00617f","","","1.54178","CuKα","","0.0595","0.0392","","","0.0886","0.0946","","","","","","1.018","","","","has coordinates","223745","2020-10-21","18:00:00",""
"7700160","14.3286","0.0012","10.8784","0.001","19.099","0.0014","90","","98.836","0.003","90","","2941.7","0.4","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H10 F40 Fe2 O10 -","- C62 H10 F40 Fe2 O10 -","- C124 H20 F80 Fe4 O20 -","2","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.0587","0.0451","","","0.0819","0.088","","","","","","1.1","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700161","10.8372","0.0005","12.9126","0.0007","15.3274","0.0008","85.825","0.002","71.703","0.002","80.802","0.002","2009.65","0.18","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H26 F40 Fe2 O10 -","- C83 H26 F40 Fe2 O10 -","- C83 H26 F40 Fe2 O10 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.041","0.0358","","","0.0923","0.0971","","","","","","1.021","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700162","13.1423","0.0008","13.7532","0.0006","14.2588","0.0006","66.06","0.001","80.465","0.002","81.042","0.002","2311.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H42 F40 Fe2 O15 -","- C97 H42 F40 Fe2 O15 -","- C97 H42 F40 Fe2 O15 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.116","0.0666","","","0.1432","0.1734","","","","","","1.027","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700163","10.4539","0.0018","12.401","0.002","14.275","0.003","93.903","0.005","108.901","0.005","95.072","0.005","1734.7","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H20 F40 Fe2 O10 -","- C70 H20 F40 Fe2 O10 -","- C70 H20 F40 Fe2 O10 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.0798","0.0456","","","0.0844","0.0996","","","","","","1.047","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700164","11.3401","0.0003","12.6507","0.0004","14.9457","0.0004","84.837","0.001","80.425","0.001","65.793","0.001","1927.77","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H24 Co2 F40 O13 -","- C81 H24 Co2 F40 O13 -","- C81 H24 Co2 F40 O13 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.0311","0.0298","","","0.0787","0.0799","","","","","","1.062","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700165","11.3282","0.0004","12.2953","0.0004","14.9836","0.0004","82.241","0.001","80.898","0.001","75.304","0.001","1983.42","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H38 F40 Ni2 O10 -","- C84 H38 F40 Ni2 O10 -","- C84 H38 F40 Ni2 O10 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.046","0.0354","","","0.0719","0.0778","","","","","","1.065","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700166","11.332","0.0003","12.6485","0.0003","14.8671","0.0004","84.882","0.001","80.385","0.001","65.671","0.001","1913.93","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H24 F40 Ni2 O13 -","- C81 H24 F40 Ni2 O13 -","- C81 H24 F40 Ni2 O13 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.037","0.0306","","","0.0706","0.0746","","","","","","1.06","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700167","11.2681","0.0012","12.2347","0.0013","15.0626","0.0017","82.054","0.004","81.095","0.004","75.236","0.003","1973.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H38 Co2 F40 O10 -","- C84 H38 Co2 F40 O10 -","- C84 H38 Co2 F40 O10 -","1","0.5","","Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko","Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9062","9066","10.1039/c9dt01380f","","","0.71073","MoKα","","0.097","0.0529","","","0.0969","0.1162","","","","","","1.043","","","","has coordinates","224204","2020-10-21","18:00:00",""
"7700168","12.928","0.003","13.98","0.003","14.1","0.003","80.97","0.03","83.88","0.03","70.72","0.03","2371.5","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H51 La N9 -","- C57 H51 La N9 -","- C114 H102 La2 N18 -","2","1","","McPherson, James N.; Abad Galan, Laura; Iranmanesh, Hasti; Massi, Massimiliano; Colbran, Stephen B.","Synthesis and structural, redox and photophysical properties of tris-(2,5-di(2-pyridyl)pyrrolide) lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9365","9375","10.1039/c9dt01262a","","","0.71073","MoKα","","0.0257","0.0242","","","0.0606","0.0614","","","","","","1.067","","","","has coordinates","224216","2020-10-21","18:00:00",""
"7700169","17.3254","0.0012","13.3245","0.0009","19.4895","0.0013","90","","90.717","0.002","90","","4498.8","0.5","100","","99.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H86 Eu2 N18 O13 -","- C102 H86 Eu2 N18 O13 -","- C204 H172 Eu4 N36 O26 -","2","0.5","","McPherson, James N.; Abad Galan, Laura; Iranmanesh, Hasti; Massi, Massimiliano; Colbran, Stephen B.","Synthesis and structural, redox and photophysical properties of tris-(2,5-di(2-pyridyl)pyrrolide) lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9365","9375","10.1039/c9dt01262a","","","0.71073","MoKα","","0.0859","0.0479","","","0.1049","0.1252","","","","","","1.075","","","","has coordinates,has disorder","224216","2020-10-21","18:00:00",""
"7700170","17.177","0.003","13.222","0.003","19.402","0.004","90","","90.85","0.03","90","","4406","1.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 N9 O6.5 Sm -","- C51 H43 N9 O6.5 Sm -","- C204 H172 N36 O26 Sm4 -","4","1","","McPherson, James N.; Abad Galan, Laura; Iranmanesh, Hasti; Massi, Massimiliano; Colbran, Stephen B.","Synthesis and structural, redox and photophysical properties of tris-(2,5-di(2-pyridyl)pyrrolide) lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9365","9375","10.1039/c9dt01262a","","","0.71073","MoKα","","0.0465","0.0397","","","0.0986","0.1035","","","","","","1.133","","","","has coordinates,has disorder","224216","2020-10-21","18:00:00",""
"7700171","13.0499","0.0008","11.7928","0.0007","13.3604","0.0009","90","","100.294","0.006","90","","2023","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag N6 O5 P S -","- C18 H18 Ag N6 O5 P S -","- C72 H72 Ag4 N24 O20 P4 S4 -","4","1","","Jaros, Sabina W.; Sliwińska-Hill, Urszula; Białońska, Agata; Nesterov, Dmytro S.; Kuropka, Piotr; Sokolnicki, Jerzy; Bażanów, Barbara; Smoleński, Piotr","Light-stable polypyridine silver(i) complexes of 1,3,5-triaza-7-phosphaadamantane (PTA) and 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTA[double bond, length as m-dash]S): significant antiproliferative activity of representative examples in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11235","11249","10.1039/c9dt01646e","","","0.71073","MoKα","","0.0871","0.078","","","0.192","0.1993","","","","","","1.159","","","","has coordinates","224342","2020-10-21","18:00:00",""
"7700172","13.0183","0.0003","12.1115","0.0002","13.6418","0.0004","90","","102.287","0.002","90","","2101.65","0.09","80","0.3","80","0.3","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Ag B F4 N5 O2 P S -","- C18 H18 Ag B F4 N5 O2 P S -","- C72 H72 Ag4 B4 F16 N20 O8 P4 S4 -","4","1","","Jaros, Sabina W.; Sliwińska-Hill, Urszula; Białońska, Agata; Nesterov, Dmytro S.; Kuropka, Piotr; Sokolnicki, Jerzy; Bażanów, Barbara; Smoleński, Piotr","Light-stable polypyridine silver(i) complexes of 1,3,5-triaza-7-phosphaadamantane (PTA) and 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTA[double bond, length as m-dash]S): significant antiproliferative activity of representative examples in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11235","11249","10.1039/c9dt01646e","","","0.71073","MoKα","","0.0532","0.0364","","","0.0695","0.0775","","","","","","1.065","","","","has coordinates,has disorder","224342","2020-10-21","18:00:00",""
"7700173","6.841","0.002","17.589","0.003","19.676","0.003","90","","96.23","0.02","90","","2353.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2:6,2-terpyridine-N3)-(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]-decane-P)-silver(I) nitrate methanol solvate","","- C22 H27 Ag N7 O4 P -","- C22 H27 Ag N7 O4 P -","- C88 H108 Ag4 N28 O16 P4 -","4","1","","Jaros, Sabina W.; Sliwińska-Hill, Urszula; Białońska, Agata; Nesterov, Dmytro S.; Kuropka, Piotr; Sokolnicki, Jerzy; Bażanów, Barbara; Smoleński, Piotr","Light-stable polypyridine silver(i) complexes of 1,3,5-triaza-7-phosphaadamantane (PTA) and 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTA[double bond, length as m-dash]S): significant antiproliferative activity of representative examples in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11235","11249","10.1039/c9dt01646e","","","0.71073","MoKα","","0.0677","0.0398","","","0.0767","0.0822","","","","","","0.947","","","","has coordinates,has disorder","224342","2020-10-21","18:00:00",""
"7700174","9.7226","0.0006","17.642","0.0004","13.392","0.0007","90","","91.007","0.004","90","","2296.72","0.19","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Ag F6 N4 O4 P -","- C24 H12 Ag F6 N4 O4 P -","- C96 H48 Ag4 F24 N16 O16 P4 -","4","1","","Jaros, Sabina W.; Sliwińska-Hill, Urszula; Białońska, Agata; Nesterov, Dmytro S.; Kuropka, Piotr; Sokolnicki, Jerzy; Bażanów, Barbara; Smoleński, Piotr","Light-stable polypyridine silver(i) complexes of 1,3,5-triaza-7-phosphaadamantane (PTA) and 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTA[double bond, length as m-dash]S): significant antiproliferative activity of representative examples in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11235","11249","10.1039/c9dt01646e","","","0.71073","MoKα","","0.0582","0.0469","","","0.1106","0.116","","","","","","1.02","","","","has coordinates,has disorder","224342","2020-10-21","18:00:00",""
"7700175","17.416","0.004","8.439","0.0017","40.806","0.008","90","","90","","90","","5997","2","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N6 P -","- C22 H19 N6 P -","- C264 H228 N72 P12 -","12","3","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0656","0.058","","","0.1491","0.1631","","","","","","1.056","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700176","8.983","0.0018","11.438","0.002","16.812","0.003","90","","97.07","0.03","90","","1714.3","0.6","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N6 P -","- C16 H23 N6 P -","- C64 H92 N24 P4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0638","0.0393","","","0.0938","0.1014","","","","","","1.017","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700177","10.43","0.002","15.442","0.003","14.382","0.003","90","","104.04","0.03","90","","2247.2","0.8","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N6 O P Rh -","- C23 H19 Cl N6 O P Rh -","- C92 H76 Cl4 N24 O4 P4 Rh4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0268","0.0232","","","0.059","0.0619","","","","","","1.047","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700178","17.629","0.004","18.438","0.004","15.309","0.003","90","","90","","90","","4976.1","1.8","200","","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H28 F6 N6 P2 Ru -","- C21 H28 F6 N6 P2 Ru -","- C168 H224 F48 N48 P16 Ru8 -","8","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0338","0.0302","","","0.0802","0.0821","","","","","","1.031","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700179","11.268","0.002","14.819","0.003","18.659","0.004","90","","98.36","0.03","90","","3082.6","1.1","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","MGS21","","- C26 H25 Cl4 Cu N8 P Pd -","- C26 H25 Cl4 Cu N8 P Pd -","- C104 H100 Cl16 Cu4 N32 P4 Pd4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0937","0.0626","","","0.1467","0.1639","","","","","","0.997","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700180","17.969","0.004","8.93","0.0018","15.408","0.003","90","","110.01","0.03","90","","2323.2","0.9","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cl N6 O P Rh -","- C19 H27 Cl N6 O P Rh -","- C76 H108 Cl4 N24 O4 P4 Rh4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0707","0.0565","","","0.1446","0.1632","","","","","","1.04","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700181","14.818","0.003","9.271","0.0019","16.998","0.003","90","","100.95","0.03","90","","2292.6","0.8","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N6 P Pd -","- C22 H19 Cl2 N6 P Pd -","- C88 H76 Cl8 N24 P4 Pd4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0352","0.0296","","","0.0802","0.0817","","","","","","1.061","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700182","9.027","0.0018","15.942","0.003","17.225","0.003","90","","90","","90","","2478.8","0.8","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N6 P Pd -","- C25 H24 Cl N6 P Pd -","- C100 H96 Cl4 N24 P4 Pd4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0623","0.0503","","","0.128","0.1489","","","","","","1.059","","","","has coordinates,has disorder","223900","2020-10-21","18:00:00",""
"7700183","8.764","0.0018","15.604","0.003","16.091","0.003","90","","90.76","0.03","90","","2200.3","0.7","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Au Cl N6 P -","- C22 H19 Au Cl N6 P -","- C88 H76 Au4 Cl4 N24 P4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.041","0.0327","","","0.086","0.1086","","","","","","1.11","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700184","8.1293","0.0016","8.6311","0.0017","15.582","0.003","77.76","0.03","86.99","0.03","66.4","0.03","978.5","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N6 P -","- C18 H27 N6 P -","- C36 H54 N12 P2 -","2","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0486","0.0408","","","0.112","0.1196","","","","","","1.049","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700185","8.632","0.0017","12.927","0.003","10.003","0.002","90","","114.42","0.03","90","","1016.3","0.4","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H23 Cl N6 O P Rh -","- C17 H23 Cl N6 O P Rh -","- C34 H46 Cl2 N12 O2 P2 Rh2 -","2","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0687","","","","","","1.074","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700186","9.4365","0.0002","13.2787","0.0003","15.0575","0.0004","111.951","0.001","101.543","0.001","90.344","0.001","1707.8","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H42 Cl2 Cu5 N10 O21 Sr -","- C10 H42 Cl2 Cu5 N10 O21 Sr -","- C20 H84 Cl4 Cu10 N20 O42 Sr2 -","2","1","","Katkova, Marina A.; Zabrodina, Galina S.; Zhigulin, Grigory Yu; Baranov, Evgeny V.; Trigub, Maria M.; Terentiev, Alexey A.; Ketkov, Sergey Yu","The first water-soluble polynuclear metallamacrocyclic Sr(ii)-Cu(ii) complex based on simple glycinehydroximate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10479","10487","10.1039/c9dt01368g","","","0.71073","MoKα","","0.0359","0.0266","","","0.055","0.0577","","","","","","1.035","","","","has coordinates,has disorder","223775","2020-10-21","18:00:00",""
"7700187","28.21","0.003","9.1255","0.0003","18.283","0.0019","90","","140.2","0.02","90","","3012.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 N2 O6 Te2 -","- C30 H38 N2 O6 Te2 -","- C120 H152 N8 O24 Te8 -","4","0.5","","Gupta, Anand; Deka, Rajesh; Sarkar, Arup; Singh, Harkesh B.; Butcher, Ray J.","Oxidation behavior of intramolecularly coordinated unsymmetrical diorganotellurides: isolation of novel tetraorganoditelluronic acids, [RR'Te(μ-O)(OH)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10979","10985","10.1039/c9dt01926j","","","0.71073","MoKα","","0.0268","0.0228","","","0.0521","0.0537","","","","","","1.024","","","","has coordinates","223747","2020-10-21","18:00:00",""
"7700188","9.3292","0.0002","9.5482","0.0002","10.8122","0.0002","103.832","0.002","114.891","0.002","91.144","0.002","840.33","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 O6 Te2 -","- C34 H46 N2 O6 Te2 -","- C34 H46 N2 O6 Te2 -","1","0.5","","Gupta, Anand; Deka, Rajesh; Sarkar, Arup; Singh, Harkesh B.; Butcher, Ray J.","Oxidation behavior of intramolecularly coordinated unsymmetrical diorganotellurides: isolation of novel tetraorganoditelluronic acids, [RR'Te(μ-O)(OH)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10979","10985","10.1039/c9dt01926j","","","0.71073","MoKα","","0.0357","0.0305","","","0.0679","0.0706","","","","","","1.06","","","","has coordinates","223747","2020-10-21","18:00:00",""
"7700189","8.8868","0.0002","11.3262","0.0004","13.3415","0.0004","67.256","0.003","72.991","0.002","77.596","0.002","1176.38","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H68 N4 O6 Te2 -","- C46 H68 N4 O6 Te2 -","- C46 H68 N4 O6 Te2 -","1","0.5","","Gupta, Anand; Deka, Rajesh; Sarkar, Arup; Singh, Harkesh B.; Butcher, Ray J.","Oxidation behavior of intramolecularly coordinated unsymmetrical diorganotellurides: isolation of novel tetraorganoditelluronic acids, [RR'Te(μ-O)(OH)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10979","10985","10.1039/c9dt01926j","","","0.71073","MoKα","","0.0504","0.039","","","0.0754","0.0814","","","","","","1.04","","","","has coordinates,has disorder","223747","2020-10-21","18:00:00",""
"7700190","9.7975","0.0006","9.4758","0.0003","17.8984","0.0007","90","","104.004","0.005","90","","1612.29","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O6 Te2 -","- C32 H42 N2 O6 Te2 -","- C64 H84 N4 O12 Te4 -","2","0.5","","Gupta, Anand; Deka, Rajesh; Sarkar, Arup; Singh, Harkesh B.; Butcher, Ray J.","Oxidation behavior of intramolecularly coordinated unsymmetrical diorganotellurides: isolation of novel tetraorganoditelluronic acids, [RR'Te(μ-O)(OH)<sub>2</sub>]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10979","10985","10.1039/c9dt01926j","","","0.71073","MoKα","","0.0815","0.0579","","","0.1145","0.1249","","","","","","1.063","","","","has coordinates","223747","2020-10-21","18:00:00",""
"7700191","9.4163","0.0004","21.8732","0.0012","10.9475","0.0005","90","","91.411","0.004","90","","2254.11","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H35 Cu3 N9 O8.2 S2 -","- C43 H35 Cu3 N9 O8.195 S2 -","- C86 H70 Cu6 N18 O16.39 S4 -","2","0.5","","Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10260","10274","10.1039/c9dt01277j","","x-ray","0.71073","MoKα","","0.0694","0.0487","","","0.1021","0.1111","","","","","","1.075","","","","has coordinates,has disorder","223878","2020-10-21","18:00:00",""
"7700192","10.5238","0.0005","12.4082","0.001","18.1828","0.0009","81.088","0.005","75.317","0.004","71.339","0.005","2169","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cl2 Cu3 N6 O6 -","- C38 H28 Cl2 Cu3 N6 O6 -","- C76 H56 Cl4 Cu6 N12 O12 -","2","1","","Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10260","10274","10.1039/c9dt01277j","","x-ray","0.71073","MoKα","","0.0624","0.0443","","","0.1008","0.1075","","","","","","1.031","","","","has coordinates","223878","2020-10-21","18:00:00",""
"7700193","18.7715","0.0005","13.3743","0.0003","15.266","0.0003","90","","90","","90","","3832.62","0.15","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H28 Cu3 N12 O6 -","- C42 H28 Cu3 N12 O6 -","- C168 H112 Cu12 N48 O24 -","4","1","","Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10260","10274","10.1039/c9dt01277j","","x-ray","0.71073","MoKα","","0.0436","0.0369","","","0.087","0.0906","","","","","","1.027","","","","has coordinates","223878","2020-10-21","18:00:00",""
"7700194","10.5542","0.0007","12.644","0.0012","18.2708","0.001","80.961","0.006","75.904","0.005","70.354","0.007","2219.5","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Br2 Cu3 N6 O6 -","- C38 H28 Br2 Cu3 N6 O6 -","- C76 H56 Br4 Cu6 N12 O12 -","2","1","","Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10260","10274","10.1039/c9dt01277j","","","1.5418","CuKα","","0.0388","0.033","","","0.0981","0.1029","","","","","","0.999","","","","has coordinates","223878","2020-10-21","18:00:00",""
"7700195","31.5437","0.0019","5.6122","0.0003","12.7289","0.0008","90","","90.7346","0.0012","90","","2253.2","0.2","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi I4 Na O12 -","- Bi I4 Na O12 -","- Bi8 I32 Na8 O96 -","8","2","","Jia, Ying-Jie; Chen, Yi-Gang; Wang, Ting; Guo, Yao; Guan, Xiao-Fang; Zhang, Xian-Ming","KBi(IO<sub>3</sub>)<sub>3</sub>(OH) and NaBi(IO<sub>3</sub>)<sub>4</sub>: from the centrosymmetric chain to a noncentrosymmetric double layer.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10320","10326","10.1039/c9dt01573f","","","0.71073","MoKα","","0.0204","0.0204","","","0.0511","0.0511","","","","","","1.094","","","","has coordinates","223860","2020-10-21","18:00:00",""
"7700196","7.2662","0.0004","8.1678","0.0005","8.8629","0.0005","101.621","0.001","93.8011","0.0011","109.318","0.001","481.16","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Bi H I3 K O10 -","- Bi H I3 K O10 -","- Bi2 H2 I6 K2 O20 -","2","1","","Jia, Ying-Jie; Chen, Yi-Gang; Wang, Ting; Guo, Yao; Guan, Xiao-Fang; Zhang, Xian-Ming","KBi(IO<sub>3</sub>)<sub>3</sub>(OH) and NaBi(IO<sub>3</sub>)<sub>4</sub>: from the centrosymmetric chain to a noncentrosymmetric double layer.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10320","10326","10.1039/c9dt01573f","","","0.71","MoKα","","0.0175","0.0175","","","0.0458","0.0458","","","","","","1.133","","","","has coordinates","223860","2020-10-21","18:00:00",""
"7700197","11.1461","0.0004","12.3199","0.0006","15.3703","0.0005","82.47","0.003","79.687","0.003","67.955","0.004","1919.99","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Cl5 Ge Ir N2 -","- C34 H50 Cl5 Ge Ir N2 -","- C68 H100 Cl10 Ge2 Ir2 N4 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; González-Álvarez, Laura; Pérez-Carreño, Enrique","Mesityl(amidinato)tetrylenes as ligands in iridium(i) and iridium(iii) complexes: silicon versus germanium and simple κ<sup>1</sup>-coordination versus cyclometallation.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10996","11003","10.1039/c9dt01853k","","","1.5418","CuKα","","0.0473","0.0445","","","0.1156","0.1192","","","","","","1.023","","","","has coordinates,has disorder","223758","2020-10-21","18:00:00",""
"7700198","10.6239","0.0001","18.5431","0.0002","17.43","0.0002","90","","105.333","0.001","90","","3311.49","0.06","151","2","151","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Cl Ge Ir N2 -","- C34 H48 Cl Ge Ir N2 -","- C136 H192 Cl4 Ge4 Ir4 N8 -","4","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; González-Álvarez, Laura; Pérez-Carreño, Enrique","Mesityl(amidinato)tetrylenes as ligands in iridium(i) and iridium(iii) complexes: silicon versus germanium and simple κ<sup>1</sup>-coordination versus cyclometallation.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10996","11003","10.1039/c9dt01853k","","","1.5418","CuKα","","0.0284","0.026","","","0.0673","0.069","","","","","","1.057","","","","has coordinates","223758","2020-10-21","18:00:00",""
"7700199","13.3734","0.0014","18.074","0.0019","18.5411","0.0019","101.092","0.004","94.248","0.004","106.328","0.004","4181.2","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H70 B Co F25 O P4 -","- C84 H70 B Co F25 O P4 -","- C168 H140 B2 Co2 F50 O2 P8 -","2","1","","Sung, Simon; Tinnermann, Hendrik; Krämer, Tobias; Young, Rowan D.","Direct oxide transfer from an η<sup>2</sup>-keto ligand to generate a cobalt PC<sub>carbene</sub>P(O) pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9920","9924","10.1039/c9dt02313e","","","0.71073","MoKα","","0.1074","0.0794","","0.2362","0.1996","0.2357","","","","","","1.025","","","","has coordinates,has disorder","223876","2020-10-21","18:00:00",""
"7700200","12.9047","0.0004","16.5989","0.0006","19.3561","0.0007","94.139","0.001","94.649","0.001","95.348","0.001","4101.2","0.2","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H62 B Co F24 P4 -","- C94 H62 B Co F24 P4 -","- C188 H124 B2 Co2 F48 P8 -","2","1","","Sung, Simon; Tinnermann, Hendrik; Krämer, Tobias; Young, Rowan D.","Direct oxide transfer from an η<sup>2</sup>-keto ligand to generate a cobalt PC<sub>carbene</sub>P(O) pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9920","9924","10.1039/c9dt02313e","","","0.71073","MoKα","","0.1064","0.0693","","","0.1656","0.1857","","","","","","1.021","","","","has coordinates,has disorder","223876","2020-10-21","18:00:00",""
"7700201","13.892","0.002","14.673","0.002","19.142","0.003","85.307","0.006","82.481","0.006","81.765","0.006","3820.5","1","100","2","99.96","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H59 B Co F24 O P4 -","- C75 H59 B Co F24 O P4 -","- C150 H118 B2 Co2 F48 O2 P8 -","2","1","","Sung, Simon; Tinnermann, Hendrik; Krämer, Tobias; Young, Rowan D.","Direct oxide transfer from an η<sup>2</sup>-keto ligand to generate a cobalt PC<sub>carbene</sub>P(O) pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9920","9924","10.1039/c9dt02313e","","","0.71073","MoKα","","0.1571","0.0902","","","0.2192","0.2582","","","","","","1.03","","","","has coordinates,has disorder","223876","2020-10-21","18:00:00",""
"7700202","16.0295","0.0008","19.6246","0.0009","20.1719","0.0009","103.307","0.002","102.563","0.002","111.047","0.002","5439.3","0.5","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H62 B Co F24 O P4 -","- C94 H62 B Co F23.9995 O P4 -","- C188 H124 B2 Co2 F47.999 O2 P8 -","2","1","","Sung, Simon; Tinnermann, Hendrik; Krämer, Tobias; Young, Rowan D.","Direct oxide transfer from an η<sup>2</sup>-keto ligand to generate a cobalt PC<sub>carbene</sub>P(O) pincer complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9920","9924","10.1039/c9dt02313e","","","0.71073","MoKα","","0.1016","0.0669","","","0.1698","0.1959","","","","","","1.032","","","","has coordinates,has disorder","223876","2020-10-21","18:00:00",""
"7700203","9.1327","0.001","7.809","0.0005","10.9949","0.0012","90","","101.428","0.009","90","","768.58","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N2 Se -","- C5 H10 N2 Se -","- C20 H40 N8 Se4 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Systematic study on anion-cation interactions via doubly ionic H-bonds in 1,3-dimethylimidazolium salts comprising chalcogenolate anions MMIm [ER] (E = S, Se; R = H, tBu, SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10971","10978","10.1039/c9dt01586h","","","0.71073","MoKα","","0.0563","0.0412","","","0.1067","0.1151","","","","","","1.092","","","","has coordinates","223744","2020-10-21","18:00:00",""
"7700204","8.1442","0.0016","12.8","0.003","11.871","0.002","90","","106.35","0.03","90","","1187.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 N2 S Si -","- C8 H18 N2 S Si -","- C32 H72 N8 S4 Si4 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg","Systematic study on anion-cation interactions via doubly ionic H-bonds in 1,3-dimethylimidazolium salts comprising chalcogenolate anions MMIm [ER] (E = S, Se; R = H, tBu, SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10971","10978","10.1039/c9dt01586h","","","1.54186","CuKα","","0.0409","0.0382","","","0.1091","0.1124","","","","","","1.046","","","","has coordinates","223744","2020-10-21","18:00:00",""
"7700205","15.6402","0.0004","10.5052","0.0003","18.504","0.0004","90","","95.757","0.002","90","","3024.94","0.13","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cu N2 S2 -","- C33 H39 Cu N2 S2 -","- C132 H156 Cu4 N8 S8 -","4","1","","Romanov, Alexander S.; Chotard, Florian; Rashid, Jahan; Bochmann, Manfred","Synthesis of copper(i) cyclic (alkyl)(amino)carbene complexes with potentially bidentate N^N, N^S and S^S ligands for efficient white photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15445","15454","10.1039/c9dt02036e","","","0.71073","MoKα","","0.0435","0.0351","","","0.0826","0.0875","","","","","","1.046","","","","has coordinates,has disorder","223890","2020-10-21","18:00:00",""
"7700206","11.8424","0.0002","13.8008","0.0004","15.1018","0.0004","110.681","0.002","93.732","0.002","111.814","0.002","2088.29","0.11","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H66 Cu N3 -","- C45 H66 Cu N3 -","- C90 H132 Cu2 N6 -","2","1","","Romanov, Alexander S.; Chotard, Florian; Rashid, Jahan; Bochmann, Manfred","Synthesis of copper(i) cyclic (alkyl)(amino)carbene complexes with potentially bidentate N^N, N^S and S^S ligands for efficient white photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15445","15454","10.1039/c9dt02036e","","","0.71073","MoKα","","0.0525","0.0424","","","0.0989","0.1054","","","","","","1.035","","","","has coordinates,has disorder","223890","2020-10-21","18:00:00",""
"7700207","14.3631","0.0004","17.2867","0.0004","18.3895","0.0005","90","","102.166","0.003","90","","4463.4","0.2","140","1","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 Cu N4 -","- C47 H71 Cu N4 -","- C188 H284 Cu4 N16 -","4","1","","Romanov, Alexander S.; Chotard, Florian; Rashid, Jahan; Bochmann, Manfred","Synthesis of copper(i) cyclic (alkyl)(amino)carbene complexes with potentially bidentate N^N, N^S and S^S ligands for efficient white photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15445","15454","10.1039/c9dt02036e","","","0.71073","MoKα","","0.0459","0.0354","","","0.0904","0.0963","","","","","","1.004","","","","has coordinates","223890","2020-10-21","18:00:00",""
"7700208","10.3789","0.0003","25.764","0.0007","15.3261","0.0004","90","","108.342","0.001","90","","3890.02","0.19","170","2","169.99","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H95 N4 O5 Si2 Y Zn -","- C65 H95 N4 O5 Si2 Y Zn -","- C130 H190 N8 O10 Si4 Y2 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO<sub>2</sub> with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0723","0.0557","","","0.1305","0.1419","","","","","","1.008","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700209","10.3709","0.0002","26.047","0.0005","15.2688","0.0003","90","","108.685","0.001","90","","3907.18","0.13","170","2","169.99","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65 H95 N4 O5 Si2 Sm Zn -","- C65 H95 N4 O5 Si2 Sm Zn -","- C130 H190 N8 O10 Si4 Sm2 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO<sub>2</sub> with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0452","0.0412","","","0.1043","0.1078","","","","","","1.027","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700210","10.4278","0.0002","25.8777","0.0004","15.2743","0.0002","90","","108.646","0.0008","90","","3905.39","0.11","170","2","170.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H97 Dy N4 O5 Si2 Zn -","- C66 H97 Dy N4 O5 Si2 Zn -","- C132 H194 Dy2 N8 O10 Si4 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO<sub>2</sub> with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0647","0.062","","","0.1772","0.1797","","","","","","1.055","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700211","10.3825","0.0002","26.0638","0.0005","15.2519","0.0003","90","","108.751","0.0009","90","","3908.22","0.13","173","2","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H97 N4 O5 Si2 Sm Zn -","- C66 H97 N4 O5 Si2 Sm Zn -","- C132 H194 N8 O10 Si4 Sm2 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO<sub>2</sub> with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0362","0.0356","","","0.0959","0.0966","","","","","","1.03","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700212","10.3888","0.0002","26.3263","0.0005","15.2186","0.0003","90","","108.876","0.001","90","","3938.42","0.13","170","2","169.99","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H97 La N4 O5 Si2 Zn -","- C66 H97 La N4 O5 Si2 Zn -","- C132 H194 La2 N8 O10 Si4 Zn2 -","2","1","","Xu, Ruoyu; Hua, Linyan; Li, Xiang; Yao, Yingming; Leng, Xuebing; Chen, Yaofeng","Rare-earth/zinc heterometallic complexes containing both alkoxy-amino-bis(phenolato) and chiral salen ligands: synthesis and catalytic application for copolymerization of CO<sub>2</sub> with cyclohexene oxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10565","10573","10.1039/c9dt00064j","","","1.34139","GaKα","","0.0579","0.0565","","","0.1501","0.1518","","","","","","1.026","","","","has coordinates","223777","2020-10-21","18:00:00",""
"7700213","9.883","0.002","15.536","0.003","26.431","0.006","90","","94.581","0.004","90","","4045.3","1.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 B N6 O2 P Y -","- C40 H53 B N6 O2 P Y -","- C160 H212 B4 N24 O8 P4 Y4 -","4","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.0883","0.0521","","","0.1337","0.1537","","","","","","0.994","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700214","10.927","0.003","11.211","0.003","14.074","0.004","90.272","0.004","94.118","0.004","107.037","0.004","1643.6","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 B N6 P S2 Y -","- C32 H37 B N6 P S2 Y -","- C64 H74 B2 N12 P2 S4 Y2 -","2","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1064","0.0655","","","0.1719","0.2266","","","","","","1.026","","","","has coordinates","223771","2020-10-21","18:00:00",""
"7700215","20.222","0.011","11.242","0.006","17.714","0.01","90","","115.974","0.006","90","","3620","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 B N6 O2 P Y -","- C36 H45 B N6 O2 P Y -","- C144 H180 B4 N24 O8 P4 Y4 -","4","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1292","0.0569","","","0.1061","0.123","","","","","","0.982","","","","has coordinates","223771","2020-10-21","18:00:00",""
"7700216","24.755","0.003","19.36","0.003","8.5498","0.0012","90","","90","","90","","4097.5","1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H53 B N6 O2 P Se Y -","- C36 H45 B N6 O P Se Y -","- C144 H180 B4 N24 O4 P4 Se4 Y4 -","4","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1045","0.0662","","","0.1581","0.1868","","","","","","0.88","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700217","10.959","0.004","13.572","0.004","13.075","0.004","90","","105.899","0.004","90","","1870.3","1","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H45 B N6 O2 P Se Y -","- C36 H45 B N6 O2 P Se Y -","- C72 H90 B2 N12 O4 P2 Se2 Y2 -","2","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.0772","0.0441","","","0.0792","0.0868","","","","","","0.901","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700218","14.069","0.004","14.446","0.004","29.276","0.008","90","","90.628","0.004","90","","5950","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H70 B2 N12 P Se2 Y -","- C49 H62 B2 N12 P Se2 Y -","- C196 H248 B8 N48 P4 Se8 Y4 -","4","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1404","0.0575","","","0.1056","0.1204","","","","","","1.008","","","","has coordinates","223771","2020-10-21","18:00:00",""
"7700219","13.559","0.006","14.762","0.006","18.054","0.008","90","","107.373","0.005","90","","3449","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 B N6 O P S Y -","- C36 H45 B N6 O P S Y -","- C144 H180 B4 N24 O4 P4 S4 Y4 -","4","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1407","0.0667","","","0.1688","0.2205","","","","","","0.981","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700220","10.95","0.006","13.491","0.007","13.08","0.007","90","","105.461","0.007","90","","1862.3","1.7","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H45 B N6 O2 P S Y -","- C36 H45 B N6 O2 P S Y -","- C72 H90 B2 N12 O4 P2 S2 Y2 -","2","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1377","0.0758","","","0.1382","0.1589","","","","","","0.968","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700221","10.0155","0.0008","10.1973","0.0008","11.2392","0.0011","100.586","0.001","97.665","0.001","113.625","0.001","1006.09","0.15","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","{4-methoxy-2-((E)-(3-((E)-2-oxidobenzylideneamino)propylimino)methyl)phenolato}nickel(II)","","- C19 H19 Cl3 N2 Ni O3 -","- C19 H19 Cl3 N2 Ni O3 -","- C38 H38 Cl6 N4 Ni2 O6 -","2","1","","Rigamonti, Luca; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Push-pull unsymmetrical substitution in nickel(ii) complexes with tetradentate N<sub>2</sub>O<sub>2</sub> Schiff base ligands: synthesis, structures and linear-nonlinear optical studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11217","11234","10.1039/c9dt01216h","","","0.71073","MoKα","","0.0422","0.0355","","","0.1015","0.1069","","","","","","1.038","","","","has coordinates","224333","2020-10-21","18:00:00",""
"7700222","10.9731","0.0006","10.7934","0.0006","13.731","0.0008","90","","95.606","0.001","90","","1618.48","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{4-nitro-2-((E)-(3-((E)-2-oxidobenzylideneamino)propylimino)methyl)phenolato}nickel(II)","","- C17 H15 N3 Ni O4 -","- C17 H15 N3 Ni O4 -","- C68 H60 N12 Ni4 O16 -","4","1","","Rigamonti, Luca; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Push-pull unsymmetrical substitution in nickel(ii) complexes with tetradentate N<sub>2</sub>O<sub>2</sub> Schiff base ligands: synthesis, structures and linear-nonlinear optical studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11217","11234","10.1039/c9dt01216h","","","0.71073","MoKα","","0.0316","0.0255","","","0.068","0.0729","","","","","","1.045","","","","has coordinates","224333","2020-10-21","18:00:00",""
"7700223","10.547","0.0011","9.3472","0.001","20.66","0.002","90","","98.968","0.001","90","","2011.9","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-bromo-2-((E)-(3-((E)-5-methoxy-2-oxidobenzylideneamino)propylimino)methyl)phenolato}nickel(II) ethanol monosolvate","","- C20 H23 Br N2 Ni O4 -","- C20 H23 Br N2 Ni O4 -","- C80 H92 Br4 N8 Ni4 O16 -","4","1","","Rigamonti, Luca; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro","Push-pull unsymmetrical substitution in nickel(ii) complexes with tetradentate N<sub>2</sub>O<sub>2</sub> Schiff base ligands: synthesis, structures and linear-nonlinear optical studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11217","11234","10.1039/c9dt01216h","","","0.71073","MoKα","","0.1016","0.0544","","","0.1443","0.1709","","","","","","1.039","","","","has coordinates,has disorder","224333","2020-10-21","18:00:00",""
"7700224","34.2","0.007","29.75","0.006","30.06","0.006","90","","94.5","0.03","90","","30490","11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","P21onc","","- C138.5 H111.75 B8 F32 Fe4 N32 S12 -","- C126 H93 B7 F28 Fe4 N27 S12 -","- C1008 H744 B56 F224 Fe32 N216 S96 -","8","2","","Li, Li; Craze, Alexander R.; Mustonen, Outi; Zenno, Hikaru; Whittaker, Jacob J.; Hayami, Shinya; Lindoy, Leonard F.; Marjo, Christopher E.; Clegg, Jack K.; Aldrich-Wright, Janice R; Li, Feng","A mixed-spin spin-crossover thiozolylimine [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cage.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9935","9938","10.1039/c9dt01947b","","","0.7108","synchrotron","","0.1847","0.111","","","0.2711","0.3242","","","","","","1.022","","","","has coordinates,has disorder","223875","2020-10-21","18:00:00",""
"7700225","8.55","0.0009","10.1649","0.0011","17.925","0.002","92.169","0.01","97.822","0.01","99.235","0.009","1520.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H28 Cl3 N3 O P Ru S -","- C30 H26 Cl3 N3 O P Ru S -","- C60 H52 Cl6 N6 O2 P2 Ru2 S2 -","2","1","","Richert, Monika; Walczyk, Mariusz; Cieślak, Marcin Janusz; Kaźmierczak-Barańska, Julia; Królewska-Golińska, Karolina; Wrzeszcz, Grzegorz; Muzioł, Tadeusz; Biniak, Stanisław","Synthesis, X-ray structure, physicochemical properties and anticancer activity of mer and fac Ru(iii) triphenylphosphine complexes with a benzothiazole derivative as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10689","10702","10.1039/c9dt01803d","","x-ray","0.71073","MoKα","","0.181","0.0844","","","0.1943","0.2425","","","","","","0.972","","","","has coordinates,has disorder","223764","2020-10-21","18:00:00",""
"7700226","10.6546","0.0003","17.3387","0.0004","15.9083","0.0004","90","","97.968","0.002","90","","2910.48","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl3 N3 P Ru S -","- C30 H26 Cl3 N3 P Ru S -","- C120 H104 Cl12 N12 P4 Ru4 S4 -","4","1","","Richert, Monika; Walczyk, Mariusz; Cieślak, Marcin Janusz; Kaźmierczak-Barańska, Julia; Królewska-Golińska, Karolina; Wrzeszcz, Grzegorz; Muzioł, Tadeusz; Biniak, Stanisław","Synthesis, X-ray structure, physicochemical properties and anticancer activity of mer and fac Ru(iii) triphenylphosphine complexes with a benzothiazole derivative as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10689","10702","10.1039/c9dt01803d","","x-ray","0.71073","MoKα","","0.0697","0.0391","","","0.0919","0.105","","","","","","0.967","","","","has coordinates","223764","2020-10-21","18:00:00",""
"7700227","10.026","0.001","11.6073","0.0013","15.3369","0.0012","80.329","0.008","88.746","0.007","65.886","0.01","1603.8","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H32 Cl3 N3 O P Ru S -","- C32 H31.83 Cl3 N3 O P Ru S -","- C64 H63.66 Cl6 N6 O2 P2 Ru2 S2 -","2","1","","Richert, Monika; Walczyk, Mariusz; Cieślak, Marcin Janusz; Kaźmierczak-Barańska, Julia; Królewska-Golińska, Karolina; Wrzeszcz, Grzegorz; Muzioł, Tadeusz; Biniak, Stanisław","Synthesis, X-ray structure, physicochemical properties and anticancer activity of mer and fac Ru(iii) triphenylphosphine complexes with a benzothiazole derivative as a co-ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10689","10702","10.1039/c9dt01803d","","x-ray","0.71073","MoKα","","0.0589","0.0411","","","0.0948","0.1079","","","","","","1.037","","","","has coordinates,has disorder","223764","2020-10-21","18:00:00",""
"7700228","5.0707","0.0001","17.1292","0.0003","20.6984","0.0004","90","","90","","90","","1797.8","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 B2 O4 Te -","- C20 H16 B2 O4 Te -","- C80 H64 B8 O16 Te4 -","4","1","","Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric","Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10210","10219","10.1039/c9dt02095k","","","1.54178","CuKα","","0.0204","0.0203","","","0.049","0.049","","","","","","1.077","","","","has coordinates","223867","2020-10-21","18:00:00",""
"7700229","10.0095","0.0003","12.3649","0.0004","12.5793","0.0004","90","","90","","90","","1556.9","0.08","173","2","173","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C32 H44 B2 O2 Te -","- C32 H44 B2 O2 Te -","- C64 H88 B4 O4 Te2 -","2","0.5","","Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric","Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10210","10219","10.1039/c9dt02095k","","","1.54178","CuKα","","0.0165","0.0158","","","0.039","0.0399","","","","","","1.081","","","","has coordinates","223867","2020-10-21","18:00:00",""
"7700230","12.0209","0.0003","12.9608","0.0003","18.3885","0.0004","86.3327","0.001","77.7639","0.0009","69.4855","0.0011","2622.13","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 B2 O4 Te -","- C28 H32 B2 O4 Te -","- C112 H128 B8 O16 Te4 -","4","2","","Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric","Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10210","10219","10.1039/c9dt02095k","","","1.54178","CuKα","","0.0255","0.022","","","0.0568","0.0597","","","","","","1.016","","","","has coordinates","223867","2020-10-21","18:00:00",""
"7700231","15.677","0.006","13.588","0.003","18.615","0.0019","90","","91.14","0.015","90","","3964.6","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 B2 N4 O3 Te -","- C40 H54 B2 N4 O3 Te -","- C160 H216 B8 N16 O12 Te4 -","4","1","","Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric","Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10210","10219","10.1039/c9dt02095k","","","1.54178","CuKα","","0.0217","0.0207","","","0.0552","0.0559","","","","","","1.047","","","","has coordinates,has disorder","223867","2020-10-21","18:00:00",""
"7700232","11.951","0.0005","21.2966","0.0009","16.6233","0.0007","90","","90.727","0.001","90","","4230.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F18 Gd N6 O8 -","- C36 H24 F18 Gd N6 O8 -","- C144 H96 F72 Gd4 N24 O32 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0248","0.0202","","","0.0467","0.0486","","","","","","0.999","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700233","33.965","0.013","13.913","0.005","20.458","0.008","90","","114.692","0.005","90","","8784","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 F18 N6 O8 Yb -","- C36 H24 F18 N6 O8 Yb -","- C288 H192 F144 N48 O64 Yb8 -","8","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0471","0.0359","","","0.0866","0.0925","","","","","","1.014","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700234","11.9625","0.0006","21.3247","0.0012","16.6539","0.0009","90","","90.586","0.001","90","","4248.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F18 N6 O8 Tb -","- C36 H24 F18 N6 O8 Tb -","- C144 H96 F72 N24 O32 Tb4 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0422","0.0362","","","0.1284","0.1368","","","","","","1.056","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700235","11.7359","0.0008","11.944","0.0008","24.5974","0.0017","91.774","0.002","94.628","0.002","103.074","0.002","3343.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H27 Dy2 F36 N6 O14 -","- C51 H27 Dy2 F36 N6 O14 -","- C102 H54 Dy4 F72 N12 O28 -","2","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0296","0.0241","","","0.057","0.0598","","","","","","1.078","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700236","11.7121","0.0013","11.9271","0.0013","24.589","0.003","91.8","0.002","94.713","0.002","103.301","0.002","3326.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H27 Er2 F36 N6 O14 -","- C51 H27 Er2 F36 N6 O14 -","- C102 H54 Er4 F72 N12 O28 -","2","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0578","0.0404","","","0.0905","0.1016","","","","","","1.118","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700237","11.9256","0.0009","21.308","0.0014","16.628","0.0011","90","","90.604","0.002","90","","4225.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F18 Ho N6 O8 -","- C36 H24 F18 Ho N6 O8 -","- C144 H96 F72 Ho4 N24 O32 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0349","0.0278","","","0.0666","0.0701","","","","","","1.095","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700238","11.9552","0.0014","21.316","0.003","16.688","0.002","90","","90.531","0.002","90","","4252.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Dy F18 N6 O8 -","- C36 H24 Dy F18 N6 O8 -","- C144 H96 Dy4 F72 N24 O32 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0495","0.0351","","","0.0818","0.0889","","","","","","1.047","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700239","10.8396","0.0016","15.847","0.002","39.725","0.006","90","","91.776","0.003","90","","6820.5","1.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H29 F36 Ho2 N6 O15 -","- C51 H29 F36 Ho2 N6 O15 -","- C204 H116 F144 Ho8 N24 O60 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0637","0.0584","","","0.1624","0.166","","","","","","1.271","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700240","10.8289","0.0012","15.8904","0.0016","39.821","0.004","90","","91.728","0.002","90","","6849.1","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H28 F36 Gd2 N6 O14.5 -","- C51 H28 F36 Gd2 N6 O14.5 -","- C204 H112 F144 Gd8 N24 O58 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0497","0.0462","","","0.1106","0.1123","","","","","","1.21","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700241","11.9","0.004","21.3","0.007","16.658","0.005","90","","90.508","0.006","90","","4222","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Er F18 N6 O8 -","- C36 H24 Er F18 N6 O8 -","- C144 H96 Er4 F72 N24 O32 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.1014","0.0657","","","0.1592","0.194","","","","","","1.091","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700242","10.8207","0.001","15.8746","0.0014","39.795","0.004","90","","91.797","0.002","90","","6832.4","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H29 F36 N6 O15 Tb2 -","- C51 H29 F36 N6 O15 Tb2 -","- C204 H116 F144 N24 O60 Tb8 -","4","1","","Miao, Hao; Li, Hong-Qing; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Bao-Lin; Wang, Xin-Yi","A family of lanthanide complexes with a bis-tridentate nitronyl nitroxide radical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10337","10345","10.1039/c9dt01397k","","","0.71073","MoKα","","0.0454","0.0412","","","0.0939","0.0957","","","","","","1.226","","","","has coordinates,has disorder","223863","2020-10-21","18:00:00",""
"7700243","17.7735","0.0012","18.5313","0.0011","32.2015","0.0019","90","","90","","90","","10606.1","1.1","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C106 H114 Cl2 I3 N22 Ni3 O10 -","- C106 H114 Cl2 I3 N22 Ni3 O10 -","- C424 H456 Cl8 I12 N88 Ni12 O40 -","4","0.5","","Hsieh, Chang-Lin; Liu, Tsai-Jung; Song, You; Lee, Gene-Hsiang; Jin, Bih-Yaw; Lin, Tien-Sung; Peng, Shie-Ming","The synthesis and magnetic properties of a linear mixed-valence [Ni<sub>3</sub>]<sup>5+</sup> in an anthyridine tri-nickel complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9912","9915","10.1039/c9dt02022e","","","0.71073","MoKα","","0.113","0.0816","","","0.1864","0.1999","","","","","","1.158","","","","has coordinates,has disorder","223862","2020-10-21","18:00:00",""
"7700244","14.6698","0.0004","10.05059","0.00018","16.0714","0.0004","90","","116.734","0.003","90","","2116.27","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N6 O8 -","- C18 H24 Co N6 O8 -","- C72 H96 Co4 N24 O32 -","4","0.5","","Child, Simon N.; Raychev, Radoslav; Moss, Nathan; Howchen, Benjamin; Horton, Peter N.; Prior, Christopher C.; Oganesyan, Vasily S.; Fielden, John","Cobalt-based molecular electrocatalysis of nitrile reduction: evolving sustainability beyond hydrogen.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9576","9580","10.1039/c9dt00773c","","x-ray","0.71073","MoKα","","0.0235","0.0224","","","0.0587","0.0592","","","","","","1.083","","","","has coordinates,has disorder","224058","2020-10-21","18:00:00",""
"7700245","8.7738","0.001","18.751","0.002","12.1853","0.0014","90","","101.493","0.012","90","","1964.5","0.4","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co N6 O7 -","- C18 H20 Co N6 O7 -","- C72 H80 Co4 N24 O28 -","4","1","","Child, Simon N.; Raychev, Radoslav; Moss, Nathan; Howchen, Benjamin; Horton, Peter N.; Prior, Christopher C.; Oganesyan, Vasily S.; Fielden, John","Cobalt-based molecular electrocatalysis of nitrile reduction: evolving sustainability beyond hydrogen.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9576","9580","10.1039/c9dt00773c","","x-ray","0.71073","MoKα","","0.037","0.03","","","0.0743","0.077","","","","","","1.08","","","","has coordinates","224058","2020-10-21","18:00:00",""
"7700246","13.802","0.002","14.659","0.002","19.964","0.004","87.244","0.006","86.516","0.006","89.582","0.006","4027","1.1","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 F6 N4 O10 S2 Zn -","- C38 H32 F6 N4 O10 S2 Zn -","- C152 H128 F24 N16 O40 S8 Zn4 -","4","2","","Qiao, Di; Wang, Jin-Yun; Zhang, Li-Yi; Dai, Feng-Rong; Chen, Zhong-Ning","Aggregation-induced emission enhancement and reversible mechanochromic luminescence of quinoline-based zinc(ii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11045","11051","10.1039/c9dt02177a","","","0.71073","MoKα","","0.0568","0.0487","","","0.1162","0.1204","","","","","","1.084","","","","has coordinates,has disorder","223752","2020-10-21","18:00:00",""
"7700247","21.4502","0.0017","10.4993","0.0007","18.7583","0.0014","90","","114.568","0.002","90","","3842.1","0.5","300","2","300","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 F6 N4 O8 S2 Zn -","- C36 H28 F6 N4 O8 S2 Zn -","- C144 H112 F24 N16 O32 S8 Zn4 -","4","1","","Qiao, Di; Wang, Jin-Yun; Zhang, Li-Yi; Dai, Feng-Rong; Chen, Zhong-Ning","Aggregation-induced emission enhancement and reversible mechanochromic luminescence of quinoline-based zinc(ii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11045","11051","10.1039/c9dt02177a","","","0.71073","MoKα","","0.0766","0.0479","","","0.1262","0.1623","","","","","","1.039","","","","has coordinates","223752","2020-10-21","18:00:00",""
"7700248","27.506","0.003","10.9018","0.0012","18.564","0.002","90","","130.821","0.004","90","","4212.6","0.8","300","2","299.98","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 F6 N4 O10 S2 Zn -","- C40 H34 F6 N4 O10 S2 Zn -","- C160 H136 F24 N16 O40 S8 Zn4 -","4","0.5","","Qiao, Di; Wang, Jin-Yun; Zhang, Li-Yi; Dai, Feng-Rong; Chen, Zhong-Ning","Aggregation-induced emission enhancement and reversible mechanochromic luminescence of quinoline-based zinc(ii)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11045","11051","10.1039/c9dt02177a","","","0.71073","MoKα","","0.0796","0.0606","","","0.1796","0.1946","","","","","","1.036","","","","has coordinates","223752","2020-10-21","18:00:00",""
"7700249","7.4127","0.0003","12.3217","0.0005","10.0582","0.0004","90","","105.694","0.002","90","","884.44","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H33 Li N2 Si -","- C14 H33 Li N2 Si -","- C28 H66 Li2 N4 Si2 -","2","1","","Knauer, Lena; Wattenberg, Jonathan; Kroesen, Ulrike; Strohmann, Carsten","The smaller, the better? How the aggregate size affects the reactivity of (trimethylsilyl)methyllithium.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11285","11291","10.1039/c9dt02182e","","x-ray","0.71073","MoKα","","0.0345","0.0334","","","0.0885","0.0898","","","","","","1.047","","","","has coordinates","224341","2020-10-21","18:00:00",""
"7700250","21.75","0.003","12.1145","0.0015","31.14","0.005","90","","105.61","0.004","90","","7902.5","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H135 Li4 N7 Si4 -","- C65 H135 Li4 N7 Si4 -","- C260 H540 Li16 N28 Si16 -","4","0.5","","Knauer, Lena; Wattenberg, Jonathan; Kroesen, Ulrike; Strohmann, Carsten","The smaller, the better? How the aggregate size affects the reactivity of (trimethylsilyl)methyllithium.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11285","11291","10.1039/c9dt02182e","","x-ray","0.71073","MoKα","","0.088","0.0667","","","0.1861","0.1988","","","","","","1.036","","","","has coordinates,has disorder","224341","2020-10-21","18:00:00",""
"7700251","16.995","0.002","16.128","0.002","12.3697","0.0014","90","","128.118","0.004","90","","2667.4","0.6","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Li2 N2 Si2 -","- C22 H48 Li2 N2 Si2 -","- C88 H192 Li8 N8 Si8 -","4","0.5","","Knauer, Lena; Wattenberg, Jonathan; Kroesen, Ulrike; Strohmann, Carsten","The smaller, the better? How the aggregate size affects the reactivity of (trimethylsilyl)methyllithium.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11285","11291","10.1039/c9dt02182e","","x-ray","0.71073","MoKα","","0.0602","0.046","","","0.1183","0.1263","","","","","","1.054","","","","has coordinates","224341","2020-10-21","18:00:00",""
"7700252","9.731","0.0008","18.7611","0.0016","13.3099","0.0011","90","","99.441","0.002","90","","2397","0.3","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H44 Cu2 N12 O22 S2 -","- C42 H44 Cu2 N12 O22 S2 -","- C84 H88 Cu4 N24 O44 S4 -","2","1","","Tayade, Sakharam B.; Lllathvalappil, Rajith; Lapalikar, Vaidehi; Markad, Datta; Kurungot, Sreekumar; Pujari, Bhalchandra; Kumbhar, Avinash S.","A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11034","11044","10.1039/c9dt01983a","","","1.54178","CuKα","","0.0364","0.0355","","","0.0924","0.0932","","","","","","1.02","","","","has coordinates","223750","2020-10-21","18:00:00",""
"7700253","10.5965","0.0014","12.9681","0.0017","13.0204","0.0017","90","","106.415","0.002","90","","1716.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O6 -","- C20 H15 N O6 -","- C80 H60 N4 O24 -","4","1","","Li, Li; Hua, Yang; Li, Xiao-Nan; Guo, Yu; Zhang, Hong","Reunderstanding the photoinduced charge transfer process of ammonium polyoxomolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10683","10688","10.1039/c9dt02106j","","","0.71073","MoKα","","0.0545","0.0442","","","0.1209","0.1307","","","","","","1.073","","","","has coordinates","223767","2020-10-21","18:00:00",""
"7700254","11.4623","0.0005","13.4719","0.0006","13.5825","0.0006","114.442","0.002","112.183","0.002","90.361","0.002","1734.93","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 Mo8 N6 O26 -","- C66 H58 Mo8 N6 O26 -","- C66 H58 Mo8 N6 O26 -","1","0.5","","Li, Li; Hua, Yang; Li, Xiao-Nan; Guo, Yu; Zhang, Hong","Reunderstanding the photoinduced charge transfer process of ammonium polyoxomolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10683","10688","10.1039/c9dt02106j","","","0.71073","MoKα","","0.079","0.0432","","","0.1099","0.145","","","","","","1.071","","","","has coordinates","223767","2020-10-21","18:00:00",""
"7700255","6.7875","0.0006","7.4323","0.0007","9.6959","0.0008","85.473","0.005","69.797","0.004","84.779","0.005","456.54","0.07","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H15 N O8 -","- C21 H15 N O8 -","- C21 H15 N O8 -","1","1","","Li, Li; Hua, Yang; Li, Xiao-Nan; Guo, Yu; Zhang, Hong","Reunderstanding the photoinduced charge transfer process of ammonium polyoxomolybdate.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10683","10688","10.1039/c9dt02106j","","","0.71073","MoKα","","0.0604","0.0435","","","0.105","0.1162","","","","","","1.024","","","","has coordinates","223767","2020-10-21","18:00:00",""
"7700256","9.4135","0.0003","10.5485","0.0003","17.0809","0.0004","90","","101.273","0.003","90","","1663.38","0.08","100","0.13","100","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 Ho O15 S -","- C8 H19 Ho O15 S -","- C32 H76 Ho4 O60 S4 -","4","1","","Wang, Sa-Sa; Wu, Xiao-Yuan; Li, Zhong; Lu, Can-Zhong","Designed synthesis of a proton-conductive Ho-MOF with reversible dehydration and hydration.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9930","9934","10.1039/c9dt02269d","","x-ray","1.54184","CuKα","","0.0324","0.0288","","","0.0756","0.0782","","","","","","1.048","","","","has coordinates","223880","2020-10-21","18:00:00",""
"7700257","13.5493","0.0003","13.5493","0.0003","17.8348","0.0005","90","","90","","120","","2835.52","0.12","130","2","130","2","","","","","","","","4","P 31","P 31","144","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C24 H132 B120 S12 -","6","2","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.1216","0.0644","","","0.1098","0.1294","","","","","","1.003","","","","has coordinates","223746","2020-10-21","18:00:00",""
"7700258","20.6173","0.0007","40.52","0.001","13.1075","0.0003","90","","99.327","0.003","90","","10805.4","0.5","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H90 B60 Cl18 N12 O7 S6 -","- C35.996 H89.996 B60 Cl17.988 N12 O7 S6 -","- C143.984 H359.984 B240 Cl71.952 N48 O28 S24 -","4","1","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.1082","0.08","","","0.2086","0.2332","","","","","","1.024","","","","has coordinates,has disorder","223746","2020-10-21","18:00:00",""
"7700259","13.5287","0.0004","14.1168","0.0004","12.4964","0.0005","90","","98.178","0.003","90","","2362.32","0.14","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B20 Cl N3 S2 -","- C6.997 H22 B20 Cl N3 S2 -","- C27.988 H88 B80 Cl4 N12 S8 -","4","1","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.08","0.0486","","","0.0879","0.0975","","","","","","1.045","","","","has coordinates","223746","2020-10-21","18:00:00",""
"7700260","10.8525","0.0004","12.7893","0.0005","17.9749","0.0005","104.021","0.003","95.652","0.003","113.34","0.004","2168.84","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H49 B30 N3 S3 -","- C23 H49 B30 N3 S3 -","- C46 H98 B60 N6 S6 -","2","1","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.0754","0.0517","","","0.126","0.1401","","","","","","1.029","","","","has coordinates,has disorder","223746","2020-10-21","18:00:00",""
"7700261","6.844","0.0002","11.5187","0.001","16.8796","0.0013","79.036","0.007","86.92","0.004","87.857","0.005","1304.01","0.16","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 B20 N3 O2 S2 -","- C10 H29 B20 N3 O2 S2 -","- C20 H58 B40 N6 O4 S4 -","2","1","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.0987","0.0417","","","0.079","0.0874","","","","","","0.776","","","","has coordinates","223746","2020-10-21","18:00:00",""
"7700262","6.8759","0.0003","15.9578","0.0009","23.8175","0.0017","106.697","0.006","94.109","0.004","96.237","0.004","2473.8","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H27 B20 N3 O2 S2 -","- C8 H27 B20 N3 O2 S2 -","- C32 H108 B80 N12 O8 S8 -","4","2","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.1463","0.0686","","","0.1423","0.1788","","","","","","0.988","","","","has coordinates","223746","2020-10-21","18:00:00",""
"7700263","7.14","0.0003","20.7827","0.0006","20.3119","0.0005","90","","96.755","0.003","90","","2993.13","0.17","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H32.35 B20 N3 O3.68 S3 -","- C11 H32.356 B20 N3 O3.678 S3 -","- C44 H129.424 B80 N12 O14.712 S12 -","4","1","","Kellert, Martin; Worm, Dennis J.; Hoppenz, Paul; Sárosi, Menyhárt B; Lönnecke, Peter; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Modular triazine-based carborane-containing carboxylic acids - synthesis and characterisation of potential boron neutron capture therapy agents made of readily accessible building blocks.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10834","10844","10.1039/c9dt02130b","","","0.71073","MoKα","","0.0961","0.0637","","","0.1613","0.181","","","","","","1.032","","","","has coordinates,has disorder","223746","2020-10-21","18:00:00",""
"7700264","8.1926","0.0003","9.4737","0.0005","17.6793","0.0009","78.611","0.004","77.753","0.004","67.501","0.004","1228.55","0.11","99.97","0.15","99.97","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cu I N3 P -","- C27 H24 Cu I N3 P -","- C54 H48 Cu2 I2 N6 P2 -","2","1","","Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Efficiently luminescent copper(i) iodide complexes with crystallization-induced emission enhancement (CIEE).","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10790","10794","10.1039/c9dt01910c","","x-ray","1.54184","CuKα","","0.0285","0.0278","","","0.0717","0.072","","","","","","1.05","","","","has coordinates","223751","2020-10-21","18:00:00",""
"7700265","7.5443","0.0003","8.7471","0.0005","9.5306","0.0005","111.3","0.005","109.905","0.004","99.247","0.004","521.13","0.06","100.01","0.13","100.01","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu2 I2 N6 -","- C18 H18 Cu2 I2 N6 -","- C18 H18 Cu2 I2 N6 -","1","0.5","","Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Efficiently luminescent copper(i) iodide complexes with crystallization-induced emission enhancement (CIEE).","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10790","10794","10.1039/c9dt01910c","","x-ray","1.54184","CuKα","","0.0381","0.0363","","","0.0943","0.0962","","","","","","1.096","","","","has coordinates","223751","2020-10-21","18:00:00",""
"7700266","7.6807","0.0003","12.0678","0.0004","9.2496","0.0003","90","","101.847","0.001","90","","839.08","0.05","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B4 O9 Sn3 -","- B4 O9 Sn3 -","- B16 O36 Sn12 -","4","1","","Schäfer, Martin J; Jantz, Stephan G.; Pielnhofer, Florian; Höppe, Henning A","The very first normal-pressure tin borate Sn<sub>3</sub>B<sub>4</sub>O<sub>9</sub>, and the intermediate Sn<sub>2</sub>[B<sub>7</sub>O<sub>12</sub>]F.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10398","10402","10.1039/c9dt01901d","","","0.71073","MoKα","","0.0499","0.0319","","","0.0704","0.0738","","","","","","1.098","","","","has coordinates","223765","2020-10-21","18:00:00",""
"7700267","10.3799","0.0002","8.5978","0.0002","23.7071","0.0008","90","","93.565","0.001","90","","2111.63","0.1","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B7 F O12 Sn2 -","- B7 F O12 Sn2 -","- B56 F8 O96 Sn16 -","8","1","","Schäfer, Martin J; Jantz, Stephan G.; Pielnhofer, Florian; Höppe, Henning A","The very first normal-pressure tin borate Sn<sub>3</sub>B<sub>4</sub>O<sub>9</sub>, and the intermediate Sn<sub>2</sub>[B<sub>7</sub>O<sub>12</sub>]F.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10398","10402","10.1039/c9dt01901d","","","0.71073","MoKα","","0.0445","0.0349","","","0.0667","0.0688","","","","","","1.158","","","","has coordinates","223765","2020-10-21","18:00:00",""
"7700268","13.5526","0.0007","23.8724","0.0009","35.3444","0.0014","90","","90.881","0.004","90","","11433.7","0.9","169.9","","169.9","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F6 N O10 P -","- C17.913 F1.91304 N0.869565 O4.17391 P0.347826 -","- C412 F44 N20 O96 P8 -","23","5.75","","Xia, Danyu; Lv, Xiaoqing; Chen, Kexian; Wang, Pi","A [2]pseudorotaxane based on a pillar[6]arene and its application in the construction of a metallosupramolecular polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9954","9958","10.1039/c9dt01713e","","","0.71073","MoKα","","0.3836","0.2897","","","0.6071","0.6383","","","","","","3.072","","","","has coordinates","223872","2020-10-21","18:00:00",""
"7700269","8.7972","0.0008","18.959","0.0014","13.4726","0.0011","90","","97.627","0.004","90","","2227.2","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 F6 N2 O Pb Si2 -","- C14 H30 F6 N2 O Pb Si2 -","- C56 H120 F24 N8 O4 Pb4 Si8 -","4","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Dorcet, Vincent; Silvestru, Cristian; Sarazin, Yann","Aminofluoroalkoxide amido and boryloxo lead(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9944","9948","10.1039/c9dt02110h","","x-ray","0.71073","MoKα","","0.0996","0.0604","","","0.141","0.1597","","","","","","0.993","","","","has coordinates","223861","2020-10-21","18:00:00",""
"7700270","13.087","0.0013","9.0118","0.0008","29.884","0.003","90","","100.753","0.004","90","","3462.6","0.6","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H50 B F6 N O2 Pb Si4 -","- C22 H50 B F6 N O2 Pb Si4 -","- C88 H200 B4 F24 N4 O8 Pb4 Si16 -","4","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Dorcet, Vincent; Silvestru, Cristian; Sarazin, Yann","Aminofluoroalkoxide amido and boryloxo lead(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9944","9948","10.1039/c9dt02110h","","x-ray","0.71073","MoKα","","0.044","0.0346","","","0.0722","0.075","","","","","","1.25","","","","has coordinates,has disorder","223861","2020-10-21","18:00:00",""
"7700271","17.312","0.002","10.3487","0.001","12.5829","0.0015","90","","95.768","0.005","90","","2242.9","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F12 N2 O2 Pb -","- C16 H24 F12 N2 O2 Pb -","- C64 H96 F48 N8 O8 Pb4 -","4","1","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Dorcet, Vincent; Silvestru, Cristian; Sarazin, Yann","Aminofluoroalkoxide amido and boryloxo lead(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9944","9948","10.1039/c9dt02110h","","x-ray","0.71073","MoKα","","0.0457","0.0329","","","0.0642","0.0682","","","","","","1.143","","","","has coordinates,has disorder","223861","2020-10-21","18:00:00",""
"7700272","13.4703","0.0004","17.3016","0.0007","25.8438","0.0008","90","","92.021","0.002","90","","6019.4","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H184 B4 O6 Pb4 -","- C120 H184 B4 O6 Pb4 -","- C240 H368 B8 O12 Pb8 -","2","0.5","","Someşan, Adrian-Alexandru; Roisnel, Thierry; Dorcet, Vincent; Silvestru, Cristian; Sarazin, Yann","Aminofluoroalkoxide amido and boryloxo lead(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9944","9948","10.1039/c9dt02110h","","x-ray","0.71073","MoKα","","0.0939","0.0537","","","0.1156","0.1312","","","","","","1.011","","","","has coordinates,has disorder","223861","2020-10-21","18:00:00",""
"7700273","13.169","0.003","24.543","0.005","19.555","0.004","90","","95.983","0.002","90","","6286","2","150","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H90 Ag2 B2 F2 P4 -","- C67 H90 Ag2 B2 F2 P4 -","- C268 H360 Ag8 B8 F8 P16 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Silver halide complexes of a borane/bis(phosphine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9959","9961","10.1039/c9dt02100k","","","0.71073","MoKα","","0.0302","0.0246","","","0.0562","0.0604","","","","","","1.046","","","","has coordinates,has disorder","223858","2020-10-21","18:00:00",""
"7700274","9.9858","0.0003","15.9351","0.0004","19.4443","0.0006","90","","99.034","0.001","90","","3055.69","0.15","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Ag B I P2 -","- C30 H41 Ag B I P2 -","- C120 H164 Ag4 B4 I4 P8 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Silver halide complexes of a borane/bis(phosphine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9959","9961","10.1039/c9dt02100k","","","0.71073","MoKα","","0.027","0.0254","","","0.0609","0.0621","","","","","","1.113","","","","has coordinates","223858","2020-10-21","18:00:00",""
"7700275","13.7875","0.0004","12.475","0.0003","28.7102","0.0008","90","","91.977","0.003","90","","4935.2","0.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Au2 N6 -","- C26 H18 Au2 N6 -","- C208 H144 Au16 N48 -","8","1","","Patel, Ealin N.; Arthur, Robert B.; Nicholas, Aaron D.; Reinheimer, Eric W.; Omary, Mohammad A.; Brichacek, Matthew; Patterson, Howard H.","Synthesis, structure and photophysical properties of a 2D network with gold dicyanide donors coordinated to aza[5]helicene viologen acceptors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10288","10297","10.1039/c9dt01823a","","x-ray","0.71073","MoKα","","0.062","0.0593","","","0.1471","0.1481","","","","","","1.0088","","","","has coordinates","223859","2020-10-21","18:00:00",""
"7700276","10.8673","0.0004","27.2041","0.0009","13.21","0.0005","90","","104.036","0.001","90","","3788.7","0.2","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 F12 N6 O4 P2 Ru -","- C30 H40 F12 N6 O4 P2 Ru -","- C120 H160 F48 N24 O16 P8 Ru4 -","4","1","","Jia, Wei-Guo; Cheng, Ming-Xia; Gao, Li-Li; Tan, Siu Min; Wang, Chao; Liu, Xiaogang; Lee, Richmond","A ruthenium bisoxazoline complex as a photoredox catalyst for nitro compound reduction under visible light.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9949","9953","10.1039/c9dt00428a","","","0.71073","MoKα","","0.0673","0.054","","","0.1189","0.1249","","","","","","1.136","","","","has coordinates","223879","2020-10-21","18:00:00",""
"7700277","13.3218","0.0009","15.5388","0.0011","14.3474","0.001","90","","112.395","0.002","90","","2746","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H82 Cl2 N2 P2 Si8 -","- C40 H82 Cl2 N2 P2 Si8 -","- C80 H164 Cl4 N4 P4 Si16 -","2","0.5","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0793","0.0401","","","0.0737","0.0859","","","","","","1.033","","","","has coordinates,has disorder","223760","2020-10-21","18:00:00",""
"7700278","15.4585","0.0004","7.0416","0.0001","25.1492","0.0006","90","","95.617","0.001","90","","2724.41","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 N3 Si4 -","- C20 H41 N3 Si4 -","- C80 H164 N12 Si16 -","4","1","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0699","0.0435","","","0.0897","0.1028","","","","","","1.123","","","","has coordinates","223760","2020-10-21","18:00:00",""
"7700279","9.1282","0.0008","12.6553","0.001","12.8592","0.0011","86.649","0.002","71.391","0.002","70.322","0.002","1323.61","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H43 N Si4 -","- C20 H43 N Si4 -","- C40 H86 N2 Si8 -","2","1","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0734","0.0402","","","0.0868","0.0998","","","","","","1.024","","","","has coordinates","223760","2020-10-21","18:00:00",""
"7700280","8.4553","0.0013","13.167","0.002","12.639","0.002","90","","102.629","0.005","90","","1373.1","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Br Si4 -","- C20 H41 Br Si4 -","- C40 H82 Br2 Si8 -","2","0.5","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0795","0.0398","","","0.0873","0.1023","","","","","","1.031","","","","has coordinates,has disorder","223760","2020-10-21","18:00:00",""
"7700281","20.7415","0.0007","17.8599","0.0007","17.9973","0.0006","90","","107.625","0.001","90","","6354","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H41 Cl4 N P2 Si4 -","- C20 H41 Cl4 N P2 Si4 -","- C160 H328 Cl32 N8 P16 Si32 -","8","2","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0874","0.0408","","","0.077","0.0942","","","","","","1.019","","","","has coordinates","223760","2020-10-21","18:00:00",""
"7700282","13.9382","0.0008","12.557","0.0005","33.8982","0.0014","90","","90","","90","","5932.9","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Cl2 N P Si4 -","- C20 H42 Cl2 N P Si4 -","- C160 H336 Cl16 N8 P8 Si32 -","8","1","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0993","0.0747","","","0.1454","0.1549","","","","","","1.15","","","","has coordinates,has disorder","223760","2020-10-21","18:00:00",""
"7700283","17.907","0.002","23.513","0.003","47.214","0.006","90","","99.182","0.002","90","","19625","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H41 As2 Cl4 N Si4 -","- C20 H41 As2 Cl4 N Si4 -","- C480 H984 As48 Cl96 N24 Si96 -","24","6","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.119","0.0594","","","0.1127","0.1362","","","","","","1.036","","","","has coordinates,has disorder","223760","2020-10-21","18:00:00",""
"7700284","20.9027","0.0002","11.9632","0.00014","22.3054","0.0002","90","","90","","90","","5577.76","0.1","180","2","180","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H31 Co Er O9 P3 -","- C19 H31 Co Er O9 P3 -","- C152 H248 Co8 Er8 O72 P24 -","8","1","","Meng, Yin-Shan; Yang, Mu-Wen; Xu, Ling; Xiong, Jin; Hu, Ji-Yun; Liu, Tao; Wang, Bing-Wu; Gao, Song","Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10407","10411","10.1039/c9dt01954e","","","0.71073","MoKα","","0.0569","0.0481","","","0.1545","0.1637","","","","","","1.091","","","","has coordinates,has disorder","223774","2020-10-21","18:00:00",""
"7700285","12.4119","0.0003","16.2512","0.0004","20.0292","0.0005","90","","90","","90","","4040.06","0.17","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H61 Er O3 -","- C46 H61 Er O3 -","- C184 H244 Er4 O12 -","4","1","","Meng, Yin-Shan; Yang, Mu-Wen; Xu, Ling; Xiong, Jin; Hu, Ji-Yun; Liu, Tao; Wang, Bing-Wu; Gao, Song","Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10407","10411","10.1039/c9dt01954e","","","0.71073","MoKα","","0.0387","0.0281","","","0.0486","0.053","","","","","","1.05","","","","has coordinates","223774","2020-10-21","18:00:00",""
"7700286","5.5761","0.001","18.331","0.003","5.357","0.001","90","","90.404","0.002","90","","547.55","0.17","296","2","296","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Cd Cl2 Cs2 O6 V2 -","- Cd Cl2 Cs2 O6 V2 -","- Cd2 Cl4 Cs4 O12 V4 -","2","0.5","","Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv","Cs<sub>2</sub>CdV<sub>2</sub>O<sub>6</sub>Cl<sub>2</sub> and Cs<sub>3</sub>CdV<sub>4</sub>O<sub>12</sub>Br: two new non-centrosymmetric oxyhalides containing d<sup>0</sup> and d<sup>10</sup> cations and exhibiting second harmonic generation activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10642","10651","10.1039/c9dt02099c","","","0.71073","MoKα","","0.0171","0.017","","","0.0419","0.042","","","","","","1.166","","","","has coordinates","223768","2020-10-21","18:00:00",""
"7700287","8.61","0.003","17.215","0.006","5.733","0.002","90","","90","","90","","849.8","0.5","296","2","296.15","","","","","","","","","5","C m m 2","C 2 -2","35","","","","- Br Cd Cs3 O12 V4 -","- Br Cd Cs3 O12 V4 -","- Br2 Cd2 Cs6 O24 V8 -","2","0.25","","Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv","Cs<sub>2</sub>CdV<sub>2</sub>O<sub>6</sub>Cl<sub>2</sub> and Cs<sub>3</sub>CdV<sub>4</sub>O<sub>12</sub>Br: two new non-centrosymmetric oxyhalides containing d<sup>0</sup> and d<sup>10</sup> cations and exhibiting second harmonic generation activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10642","10651","10.1039/c9dt02099c","","","0.71073","MoKα","","0.014","0.0139","","","0.0352","0.0357","","","","","","1.077","","","","has coordinates","223768","2020-10-21","18:00:00",""
"7700288","8.6349","0.0009","30.343","0.003","15.674","0.0013","90","","104.369","0.003","90","","3978.3","0.7","155","2","155","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H60 Co2 N12 O S4 -","- C29 H60 Co2 N12 O S4 -","- C116 H240 Co8 N48 O4 S16 -","4","1","","Cui, Hui-Hui; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Xue, Zi-Ling","Magnetic anisotropy and slow magnetic relaxation processes of cobalt(ii)-pseudohalide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10743","10752","10.1039/c9dt00644c","","","0.71073","MoKα","","0.0534","0.0437","","","0.1186","0.1374","","","","","","1.141","","","","has coordinates,has disorder","223773","2020-10-21","18:00:00",""
"7700289","8.816","0.0006","30.768","0.002","15.7142","0.0011","90","","104.702","0.002","90","","4122.9","0.5","155","2","155","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H59 Co2 N13 Se4 -","- C30 H59 Co2 N13 Se4 -","- C120 H236 Co8 N52 Se16 -","4","1","","Cui, Hui-Hui; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Xue, Zi-Ling","Magnetic anisotropy and slow magnetic relaxation processes of cobalt(ii)-pseudohalide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10743","10752","10.1039/c9dt00644c","","","0.71073","MoKα","","0.0384","0.0305","","","0.0721","0.0749","","","","","","1.052","","","","has coordinates","223773","2020-10-21","18:00:00",""
"7700290","15.0413","0.0007","9.6313","0.0004","23.5659","0.001","90","","99.5","0.001","90","","3367.1","0.3","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Co N5 O -","- C37 H48 B Co N5 O -","- C148 H192 B4 Co4 N20 O4 -","4","1","","Cui, Hui-Hui; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Xue, Zi-Ling","Magnetic anisotropy and slow magnetic relaxation processes of cobalt(ii)-pseudohalide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10743","10752","10.1039/c9dt00644c","","","0.71073","MoKα","","0.0484","0.036","","","0.0803","0.0846","","","","","","1.043","","","","has coordinates,has disorder","223773","2020-10-21","18:00:00",""
"7700291","11.4759","0.0019","14.976","0.003","11.4761","0.0019","90","","90.84","0.002","90","","1972.1","0.6","155","2","155","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Co N10 -","- C16 H28 Co N10 -","- C64 H112 Co4 N40 -","4","1","","Cui, Hui-Hui; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Xue, Zi-Ling","Magnetic anisotropy and slow magnetic relaxation processes of cobalt(ii)-pseudohalide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10743","10752","10.1039/c9dt00644c","","","0.71073","MoKα","","0.0362","0.0295","","","0.0751","0.0779","","","","","","1.06","","","","has coordinates","223773","2020-10-21","18:00:00",""
"7700292","25.367","0.0004","25.367","0.0004","9.0667","0.0002","90","","90","","90","","5834.28","0.18","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H8 Cu2 Dy I2 N4 O7 -","- C21 H8 Cu2 Dy I2 N4 O7 -","- C168 H64 Cu16 Dy8 I16 N32 O56 -","8","0.5","","Wu, Zhilei; Lan, Xingwang; Zhang, Yaxin; Li, Meng; Bai, Guoyi","Copper(i) iodide cluster-based lanthanide organic frameworks: synthesis and application as efficient catalysts for carboxylative cyclization of propargyl alcohols with CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11063","11069","10.1039/c9dt01859j","","","0.71073","MoKα","","0.0322","0.0294","","","0.0635","0.0647","","","","","","1.087","","","","has coordinates,has disorder","223759","2020-10-21","18:00:00",""
"7700293","12.9904","0.0005","13.0609","0.0005","13.471","0.0006","65.919","0.002","86.02","0.002","82.341","0.002","2067.76","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H80 Cu2 Gd2 I2 N15 O21 -","- C63 H80 Cu2 Gd2 I2 N15 O21 -","- C63 H80 Cu2 Gd2 I2 N15 O21 -","1","0.5","","Wu, Zhilei; Lan, Xingwang; Zhang, Yaxin; Li, Meng; Bai, Guoyi","Copper(i) iodide cluster-based lanthanide organic frameworks: synthesis and application as efficient catalysts for carboxylative cyclization of propargyl alcohols with CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11063","11069","10.1039/c9dt01859j","","","0.71073","MoKα","","0.0509","0.0304","","","0.061","0.0679","","","","","","1.054","","","","has coordinates","223759","2020-10-21","18:00:00",""
"7700294","11.9551","0.0015","6.9902","0.0007","19.284","0.002","90","","108.879","0.003","90","","1524.8","0.3","133","","133","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H41 N3 Ni O4 -","- C35 H41 N3 Ni O4 -","- C70 H82 N6 Ni2 O8 -","2","1","","Oshita, Hiromi; Suzuki, Takashi; Kawashima, Kyohei; Abe, Hitoshi; Tani, Fumito; Mori, Seiji; Yajima, Tatsuo; Shimazaki, Yuichi","The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(ii)-salen type complex. Comparison with the corresponding Cu(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12060","12069","10.1039/c9dt01887e","","","0.71075","MoKα","","0.1349","0.0729","","","0.169","0.2136","","","","","","1.007","","","","has coordinates","223918","2020-10-21","18:00:00",""
"7700295","10.7322","0.0005","38.488","0.002","11.7318","0.0007","90","","97.443","0.007","90","","4805.1","0.4","133","","133","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H43 Cl4 F6 N3 Ni O4 Sb -","- C37 H43 Cl4 F6 N3 Ni O4 Sb -","- C148 H172 Cl16 F24 N12 Ni4 O16 Sb4 -","4","2","","Oshita, Hiromi; Suzuki, Takashi; Kawashima, Kyohei; Abe, Hitoshi; Tani, Fumito; Mori, Seiji; Yajima, Tatsuo; Shimazaki, Yuichi","The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(ii)-salen type complex. Comparison with the corresponding Cu(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12060","12069","10.1039/c9dt01887e","","","0.71075","MoKα","","0.0981","0.0703","","","0.1887","0.2148","","","","","","1.028","","","","has coordinates","223918","2020-10-21","18:00:00",""
"7700296","45.605","0.005","45.605","0.005","9.2968","0.0011","90","","90","","120","","16745","3","100","","100","","","","","","","","see text","5","R -3 :H","-R 3","148","","","","- C30 H57 Cl N6 Si2 -","- C30 H57 Cl N6 Si2 -","- C540 H1026 Cl18 N108 Si36 -","18","1","","Frisch, Philipp; Inoue, Shigeyoshi","NHC-stabilized silyl-substituted silyliumylidene ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10403","10406","10.1039/c9dt02010a","","x-ray","0.71073","MoKα","","0.0512","0.0432","","","0.124","0.1296","","","","","","1.104","","","","has coordinates","223766","2020-10-21","18:00:00",""
"7700297","11.0482","0.0019","17.171","0.003","21.066","0.004","66.805","0.005","74.978","0.005","88.261","0.006","3536.2","1.1","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C52 H94 Cl2 F2 N8 Si4 -","- C52 H94 Cl2 F2 N8 Si4 -","- C104 H188 Cl4 F4 N16 Si8 -","2","1","","Frisch, Philipp; Inoue, Shigeyoshi","NHC-stabilized silyl-substituted silyliumylidene ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10403","10406","10.1039/c9dt02010a","","x-ray","0.71073","MoKα","","0.0802","0.0521","","","0.1114","0.1207","","","","","","1.024","","","","has coordinates,has disorder","223766","2020-10-21","18:00:00",""
"7700298","10.0232","0.0005","11.4385","0.0006","13.5702","0.0007","71.133","0.005","87.315","0.004","66.146","0.005","1340.13","0.14","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Au Cl2 F3 N2 -","- C12 H4 Au Cl2 F3 N2 -","- C48 H16 Au4 Cl8 F12 N8 -","4","2","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","x-ray","0.71073","MoKα","","0.0759","0.0483","","","0.0927","0.1114","","","","","","1.029","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7700299","3.8166","0.0006","12.7293","0.0014","12.1037","0.0008","90","","94.088","0.01","90","","586.53","0.12","298","2","298.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H4 Au F5 N2 -","- C12 H4 Au F5 N2 -","- C24 H8 Au2 F10 N4 -","2","1","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","","0.71073","MoKα","","0.0894","0.0697","","","0.1693","0.1843","","","","","","1.045","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7700300","26.9355","0.0009","13.2083","0.0005","18.8465","0.0006","90","","90","","90","","6705.1","0.4","294","","294","","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C51 H22 Ag2 Au4 B2 Cl8 F20 N8 O -","- C51 H22 Ag2 Au4 B2 Cl8 F20 N8 O -","- C204 H88 Ag8 Au16 B8 Cl32 F80 N32 O4 -","4","0.5","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","x-ray","0.71073","MoKα","","0.1129","0.052","","","0.1011","0.1289","","","","","","1.01","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7700301","35.8917","0.0007","38.9207","0.001","13.6252","0.0003","90","","90","","90","","19033.5","0.7","294","","294","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H4 Au Cl2 F3 N2 -","- C12 H4 Au Cl2 F3 N2 -","- C576 H192 Au48 Cl96 F144 N96 -","48","12","","Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo","4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10412","10416","10.1039/c9dt01618j","","","0.71073","MoKα","","0.183","0.0637","","","0.1415","0.1918","","","","","","0.91","","","","has coordinates","223776","2020-10-21","18:00:00",""
"7700302","10.687","0.001","11.378","0.001","15.429","0.001","72.67","0.01","73.44","0.01","65.28","0.01","1598.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 Cl3 P3 -","- C37 H30 Cl3 P3 -","- C74 H60 Cl6 P6 -","2","1","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.0307","0.0262","","","0.0633","0.0656","","","","","","1.063","","","","has coordinates","223761","2020-10-21","18:00:00",""
"7700303","10.541","0.001","39.489","0.002","17.598","0.001","90","","104.51","0.01","90","","7091.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H35 Cl3 O0.5 P2 Sb -","- C39 H35 Cl3 O0.5 P2 Sb -","- C312 H280 Cl24 O4 P16 Sb8 -","8","2","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.0727","0.048","","","0.0854","0.0917","","","","","","0.891","","","","has coordinates","223761","2020-10-21","18:00:00",""
"7700304","12.931","0.001","15.347","0.001","16.821","0.001","90","","99.34","0.01","90","","3293.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Bi Cl3 P2 -","- C37 H30 Bi Cl3 P2 -","- C148 H120 Bi4 Cl12 P8 -","4","1","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.0259","0.0209","","","0.0435","0.0448","","","","","","0.973","","","","has coordinates","223761","2020-10-21","18:00:00",""
"7700305","10.712","0.0009","12.9281","0.0012","15.1481","0.0013","67.318","0.007","72.364","0.007","89.533","0.007","1830.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 As Cl6 Ga P2 -","- C37 H30 As Cl6 Ga P2 -","- C74 H60 As2 Cl12 Ga2 P4 -","2","1","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.0386","0.0284","","","0.0731","0.0752","","","","","","0.98","","","","has coordinates","223761","2020-10-21","18:00:00",""
"7700306","10.313","0.001","11.992","0.001","16.682","0.001","100.53","0.01","100.43","0.01","104.53","0.01","1906.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H30 Al Cl6 P3 -","- C37.5 H30 Al Cl6 P3 -","- C75 H60 Al2 Cl12 P6 -","2","1","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.1261","0.0562","","","0.1086","0.1251","","","","","","0.849","","","","has coordinates,has disorder","223761","2020-10-21","18:00:00",""
"7700307","21.6222","0.0007","11.1249","0.0003","18.5706","0.0006","90","","114.914","0.002","90","","4051.4","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Bi Cl F6 O6 P2 S2 -","- C39 H30 Bi Cl F6 O6 P2 S2 -","- C156 H120 Bi4 Cl4 F24 O24 P8 S8 -","4","1","","Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi","Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11076","11085","10.1039/c9dt01784d","","","0.71073","MoKα","","0.0708","0.0501","","","0.1262","0.1362","","","","","","0.989","","","","has coordinates","223761","2020-10-21","18:00:00",""
"7700308","11.653","0.0008","11.6528","0.0007","14.4457","0.001","90","","108.836","0.002","90","","1856.5","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Pd -","- C24 H16 N2 Pd -","- C96 H64 N8 Pd4 -","4","1","","Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei","Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10417","10421","10.1039/c9dt02525a","","x-ray","0.71073","MoKα","","0.0513","0.033","","","0.0772","0.0834","","","","","","1.051","","","","has coordinates","223772","2020-10-21","18:00:00",""
"7700309","11.9009","0.0004","15.3904","0.0006","22.0285","0.0009","90","","90","","90","","4034.7","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 N7 O Pd2 -","- C51 H35 N7 O Pd2 -","- C204 H140 N28 O4 Pd8 -","4","1","","Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei","Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10417","10421","10.1039/c9dt02525a","","x-ray","0.71073","MoKα","","0.0219","0.0194","","","0.0497","0.0511","","","","","","0.904","","","","has coordinates","223772","2020-10-21","18:00:00",""
"7700310","11.4577","0.0012","16.1072","0.0019","22.226","0.002","90","","90","","90","","4101.8","0.7","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H36 N4 O Pd2 S -","- C52 H36 N4 O Pd2 S -","- C208 H144 N16 O4 Pd8 S4 -","4","1","","Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei","Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10417","10421","10.1039/c9dt02525a","","x-ray","0.71073","MoKα","","0.0542","0.038","","","0.0576","0.0616","","","","","","1.035","","","","has coordinates","223772","2020-10-21","18:00:00",""
"7700311","14.9357","0.0009","15.1568","0.0009","15.5763","0.0009","118.321","0.002","102.924","0.002","105.6","0.002","2721.1","0.3","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H62 N4 Pd2 -","- C66 H62 N4 Pd2 -","- C132 H124 N8 Pd4 -","2","1","","Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei","Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10417","10421","10.1039/c9dt02525a","","x-ray","0.71073","MoKα","","0.0935","0.067","","","0.1687","0.1829","","","","","","1.063","","","","has coordinates","223772","2020-10-21","18:00:00",""
"7700312","10.7752","0.0006","11.5077","0.0006","15.6525","0.0013","79.537","0.006","76.217","0.007","72.44","0.005","1784.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 N2 Ni O2 -","- C36 H58 N2 Ni O2 -","- C72 H116 N4 Ni2 O4 -","2","1","","Ershova, Irina V.; Smolyaninov, Ivan V.; Bogomyakov, Artem S.; Fedin, Matvey V.; Starikov, Andrey G.; Cherkasov, Anton V.; Fukin, Georgy K.; Piskunov, Alexandr V.","Tetrahedral nickel(ii) and cobalt(ii) bis-o-iminobenzosemiquinonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10723","10732","10.1039/c9dt01424a","","","0.71073","MoKα","","0.108","0.0741","","","0.145","0.1573","","","","","","1.031","","","","has coordinates","223780","2020-10-21","18:00:00",""
"7700313","10.806","0.003","11.558","0.003","15.589","0.003","79.57","0.004","76.133","0.005","72.544","0.005","1790.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Co N2 O2 -","- C36 H58 Co N2 O2 -","- C72 H116 Co2 N4 O4 -","2","1","","Ershova, Irina V.; Smolyaninov, Ivan V.; Bogomyakov, Artem S.; Fedin, Matvey V.; Starikov, Andrey G.; Cherkasov, Anton V.; Fukin, Georgy K.; Piskunov, Alexandr V.","Tetrahedral nickel(ii) and cobalt(ii) bis-o-iminobenzosemiquinonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10723","10732","10.1039/c9dt01424a","","","0.71073","MoKα","","0.0824","0.0578","","","0.1278","0.1393","","","","","","1.014","","","","has coordinates","223780","2020-10-21","18:00:00",""
"7700314","18.1565","0.0016","11.6742","0.001","17.3053","0.0015","90","","109.119","0.001","90","","3465.7","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 Er N4 Si4 -","- C25 H51 Er N4 Si4 -","- C100 H204 Er4 N16 Si16 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.0356","0.0285","","","0.07","0.0744","","","","","","1.031","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700315","18.1922","0.0016","11.6913","0.001","17.2934","0.0015","90","","108.989","0.001","90","","3478","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 N4 Si4 Y -","- C25 H51 N4 Si4 Y -","- C100 H204 N16 Si16 Y4 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.102","0.046","","","0.0909","0.108","","","","","","1.002","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700316","18.233","0.003","11.728","0.002","17.281","0.003","90","","108.947","0.002","90","","3495.1","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 Dy N4 Si4 -","- C25 H51 Dy N4 Si4 -","- C100 H204 Dy4 N16 Si16 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.0875","0.053","","","0.1324","0.1586","","","","","","1.005","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700317","18.3322","0.0011","11.726","0.0007","17.2138","0.001","90","","108.536","0.001","90","","3508.4","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 N4 Nd Si4 -","- C25 H51 N4 Nd Si4 -","- C100 H204 N16 Nd4 Si16 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.0369","0.0257","","","0.0606","0.0657","","","","","","1.016","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700318","12.6269","0.0009","12.9123","0.001","22.403","0.0017","77.303","0.001","80.65","0.001","61.753","0.001","3131.7","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H78 N8 Si2 Yb2 -","- C62 H78 N8 Si2 Yb2 -","- C124 H156 N16 Si4 Yb4 -","2","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.0388","0.0282","","","0.0608","0.0654","","","","","","1.036","","","","has coordinates,has disorder","223749","2020-10-21","18:00:00",""
"7700319","18.356","0.004","11.757","0.003","17.248","0.004","90","","108.672","0.003","90","","3526.4","1.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 N4 Si4 Sm -","- C25 H51 N4 Si4 Sm -","- C100 H204 N16 Si16 Sm4 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.1386","0.0573","","","0.1298","0.1671","","","","","","1.028","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700320","12.995","0.003","20.995","0.005","23.338","0.006","90","","106.16","","90","","6116","3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N8 Y2 -","- C68 H70 N8 Y2 -","- C272 H280 N32 Y8 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.1724","0.0725","","","0.1799","0.2264","","","","","","0.993","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700321","18.1425","0.0013","11.6936","0.0008","17.2342","0.0012","90","","109.075","0.001","90","","3455.5","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 N4 Si4 Yb -","- C25 H51 N4 Si4 Yb -","- C100 H204 N16 Si16 Yb4 -","4","1","","Feng, Zhijun; Huang, Zeming; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui","Synthesis and characterization of 2-t-butylimino-functionalized indolyl rare-earth metal amido complexes for the catalytic addition of terminal alkynes to carbodiimides: the dimeric complexes with the alkynide species in the μ-η<sup>1</sup>:η<sup>2</sup> bonding modes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11094","11102","10.1039/c9dt01582e","","","0.71073","MoKα","","0.0335","0.0251","","","0.0598","0.0641","","","","","","1.036","","","","has coordinates","223749","2020-10-21","18:00:00",""
"7700322","12.9304","0.0011","24.117","0.002","13.6863","0.0012","90","","101.299","0.002","90","","4185.2","0.6","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 F6 N4 O6 P Ru -","- C41 H35 F6 N4 O6 P Ru -","- C164 H140 F24 N16 O24 P4 Ru4 -","4","1","","Srivastava, Payal; Shukla, Manjulika; Kaul, Grace; Chopra, Sidharth; Patra, Ashis K.","Rationally designed curcumin based ruthenium(ii) antimicrobials effective against drug-resistant Staphylococcus aureus.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11822","11828","10.1039/c9dt01650c","","","0.71073","MoKα","","0.1971","0.1476","","","0.4305","0.474","","","","","","1.748","","","","has coordinates","224356","2020-10-21","18:00:00",""
"7700323","21.829","0.006","11.353","0.003","37.793","0.01","90","","101.698","0.015","90","","9172","4","273","2","273.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H33 F6 N4 O6 P Ru -","- C45 H33 F6 N4 O6 P Ru -","- C360 H264 F48 N32 O48 P8 Ru8 -","8","1","","Srivastava, Payal; Shukla, Manjulika; Kaul, Grace; Chopra, Sidharth; Patra, Ashis K.","Rationally designed curcumin based ruthenium(ii) antimicrobials effective against drug-resistant Staphylococcus aureus.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11822","11828","10.1039/c9dt01650c","","","0.71073","MoKα","","0.175","0.1248","","","0.3225","0.3656","","","","","","1.036","","","","has coordinates,has disorder","224356","2020-10-21","18:00:00",""
"7700324","7.8063","0.0003","9.761","0.0004","11.7162","0.0005","83.121","0.002","79.771","0.002","69.765","0.002","822.68","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cd Cl N2 O7 -","- C14 H11 Cd Cl N2 O7 -","- C28 H22 Cd2 Cl2 N4 O14 -","2","1","","Dutta, Basudeb; Dey, Arka; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Tuning of the para-position of pyridyl ligands impacts the electrical properties of a series of Cd(ii) ladder polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11259","11267","10.1039/c9dt01846h","","","0.71073","MoKα","","0.0229","0.0222","","","0.0575","0.0579","","","","","","1.009","","","","has coordinates","224335","2020-10-21","18:00:00",""
"7700325","7.6232","0.001","9.9666","0.0013","16.928","0.002","89.741","0.004","84.003","0.004","69.226","0.003","1195.2","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N3 O11 -","- C22 H18 Cd N3 O11 -","- C44 H36 Cd2 N6 O22 -","2","1","","Dutta, Basudeb; Dey, Arka; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Tuning of the para-position of pyridyl ligands impacts the electrical properties of a series of Cd(ii) ladder polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11259","11267","10.1039/c9dt01846h","","","0.71073","MoKα","","0.1203","0.1201","","","0.309","0.309","","","","","","1.183","","","","has coordinates","224335","2020-10-21","18:00:00",""
"7700326","7.8129","0.0003","9.7506","0.0004","11.6897","0.0004","83.522","0.002","80.158","0.002","69.809","0.002","822.1","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Br Cd N2 O7 -","- C14 H11 Br Cd N2 O7 -","- C28 H22 Br2 Cd2 N4 O14 -","2","1","","Dutta, Basudeb; Dey, Arka; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Tuning of the para-position of pyridyl ligands impacts the electrical properties of a series of Cd(ii) ladder polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11259","11267","10.1039/c9dt01846h","","","0.71073","MoKα","","0.0541","0.0366","","","0.1024","0.11","","","","","","0.802","","","","has coordinates","224335","2020-10-21","18:00:00",""
"7700327","13.552","0.0014","7.7992","0.0008","29.96","0.003","90","","90","","90","","3166.6","0.6","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Au Cl2 N2 O -","- C16 H16 Au Cl2 N2 O -","- C128 H128 Au8 Cl16 N16 O8 -","8","1","","Khan, Taj-Malook; Gul, Noor Shad; Lu, Xing; Kumar, Rajesh; Choudhary, Muhammad Iqbal; Liang, Hong; Chen, Zhen-Feng","Rhodium(iii) complexes with isoquinoline derivatives as potential anticancer agents: in vitro and in vivo activity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11469","11479","10.1039/c9dt01951k","","","0.71073","MoKα","","0.0443","0.0313","","","0.1055","0.1172","","","","","","0.87","","","","has coordinates","224355","2020-10-21","18:00:00",""
"7700328","9.297","0.005","8.811","0.004","22.272","0.01","90","","104.878","0.018","90","","1763.3","1.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Au Cl2 N2 O2 -","- C17 H18 Au Cl2 N2 O2 -","- C68 H72 Au4 Cl8 N8 O8 -","4","1","","Khan, Taj-Malook; Gul, Noor Shad; Lu, Xing; Kumar, Rajesh; Choudhary, Muhammad Iqbal; Liang, Hong; Chen, Zhen-Feng","Rhodium(iii) complexes with isoquinoline derivatives as potential anticancer agents: in vitro and in vivo activity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11469","11479","10.1039/c9dt01951k","","","0.71073","MoKα","","0.0381","0.0303","","","0.085","0.0885","","","","","","1.136","","","","has coordinates","224355","2020-10-21","18:00:00",""
"7700329","18.2006","0.0007","17.8315","0.0007","30.6879","0.0014","90","","91.136","0.002","90","","9957.6","0.7","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C190 H428 Cl10 N12 O207.66 S19 Ti36 -","- C190 H428 Cl10 N12 O207.664 S18.9998 Ti36 -","- C190 H428 Cl10 N12 O207.664 S18.9998 Ti36 -","1","0.5","","Kozma, Karoly; Wang, Maoyu; Molina, Pedro I.; Martin, Nicolas P.; Feng, Zhenxing; Nyman, May","The role of titanium-oxo clusters in the sulfate process for TiO<sub>2</sub> production.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11086","11093","10.1039/c9dt01337g","","x-ray","1.54178","CuKα","","0.1097","0.0856","","","0.2186","0.2391","","","","","","1.02","","","","has coordinates,has disorder","223755","2020-10-21","18:00:00",""
"7700330","34.2085","0.0008","9.9862","0.0002","44.8955","0.001","90","","110.165","0.001","90","","14396.8","0.6","293","2","293","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H80.5 Ca Cl2 F6 Mo N O11 P4 S2 -","- C67.5 H80.5 Ca Cl2 F6 Mo N O11 P4 S2 -","- C540 H644 Ca8 Cl16 F48 Mo8 N8 O88 P32 S16 -","8","1","","Pap, Levente G.; Couldridge, Adam; Arulsamy, Navamoney; Hulley, Elliott","Electrostatic polarization of nonpolar substrates: a study of interactions between simple cations and Mo-bound N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11004","11017","10.1039/c9dt01606f","","","0.71073","MoKα","","0.0845","0.076","","","0.1658","0.1701","","","","","","1.311","","","","has coordinates,has disorder","223762","2020-10-21","18:00:00",""
"7700331","24.6809","0.0012","11.9759","0.0006","16.5785","0.0008","90","","117.31","0.001","90","","4354","0.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H66 Cl4 Mo N O5.5 P3 -","- C30 H61 Cl4 Mo N O5 P3 -","- C120 H244 Cl16 Mo4 N4 O20 P12 -","4","0.5","","Pap, Levente G.; Couldridge, Adam; Arulsamy, Navamoney; Hulley, Elliott","Electrostatic polarization of nonpolar substrates: a study of interactions between simple cations and Mo-bound N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11004","11017","10.1039/c9dt01606f","","","0.71073","MoKα","","0.1065","0.09","","","0.179","0.1863","","","","","","1.114","","","","has coordinates,has disorder","223762","2020-10-21","18:00:00",""
"7700332","9.052","0.002","8.533","0.002","19.979","0.005","90","","102.023","0.004","90","","1509.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 N8 O2 Ru2 S2 -","- C24 H32 Cl2 N8 O2 Ru2 S2 -","- C48 H64 Cl4 N16 O4 Ru4 S4 -","2","0.5","","Kataoka, Yusuke; Imasaki, Nanako; Arakawa, Kazuki; Yano, Natsumi; Sakiyama, Hiroshi; Sugimori, Tamotsu; Mitsumi, Minoru; Handa, Makoto","Paddlewheel-type diruthenium(iii,iii) tetrakis(2-aminopyridinate) complexes with NIR absorption features: combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12421","12429","10.1039/c9dt02271f","","","0.71075","MoKα","","0.0361","0.0288","","","0.064","0.067","","","","","","1.028","","","","has coordinates","223979","2020-10-21","18:00:00",""
"7700333","8.8746","0.0003","9.9417","0.0003","10.584","0.0004","85.558","0.003","85.197","0.003","65.274","0.003","844.29","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 N8 O2 Ru2 -","- C30 H40 Cl2 N8 O2 Ru2 -","- C30 H40 Cl2 N8 O2 Ru2 -","1","0.5","","Kataoka, Yusuke; Imasaki, Nanako; Arakawa, Kazuki; Yano, Natsumi; Sakiyama, Hiroshi; Sugimori, Tamotsu; Mitsumi, Minoru; Handa, Makoto","Paddlewheel-type diruthenium(iii,iii) tetrakis(2-aminopyridinate) complexes with NIR absorption features: combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12421","12429","10.1039/c9dt02271f","","","0.71075","MoKα","","0.0614","0.0546","","","0.1446","0.15","","","","","","1.086","","","","has coordinates","223979","2020-10-21","18:00:00",""
"7700334","9.8094","0.0006","11.1662","0.0006","11.2979","0.0006","76.439","0.003","69.609","0.003","75.44","0.003","1107.89","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N Nd O12 -","- C18 H20 N Nd O12 -","- C36 H40 N2 Nd2 O24 -","2","1","","Bartolomé, E; Arauzo, A.; Luzón, J; Melnic, S.; Shova, S.; Prodius, D.; Nlebedim, I. C.; Bartolomé, F; Bartolomé, J","High relaxation barrier in neodymium furoate-based field-induced SMMs.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15386","15396","10.1039/c9dt02047k","","","0.71073","MoKα","","0.046","0.0322","","","0.065","0.0692","","","","","","0.995","","","","has coordinates,has disorder","223908","2020-10-21","18:00:00",""
"7700335","10.3803","0.0005","16.8316","0.0009","9.4569","0.0005","90","","92.7144","0.0015","90","","1650.43","0.15","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 La0.94 Nd0.06 O11 -","- C15 H13 La0.935 Nd0.065 O11 -","- C60 H52 La3.74 Nd0.26 O44 -","4","1","","Bartolomé, E; Arauzo, A.; Luzón, J; Melnic, S.; Shova, S.; Prodius, D.; Nlebedim, I. C.; Bartolomé, F; Bartolomé, J","High relaxation barrier in neodymium furoate-based field-induced SMMs.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15386","15396","10.1039/c9dt02047k","","","0.71073","MoKα","","0.0141","0.014","","","0.0378","0.038","","","","","","1.014","","","","has coordinates","223908","2020-10-21","18:00:00",""
"7700336","10.895","0.008","9.354","0.007","11.045","0.009","90","","113.125","0.01","90","","1035.2","1.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H26 Cu2 Fe N10 O3 -","- C14 H26 Cu2 Fe N10 O3 -","- C28 H52 Cu4 Fe2 N20 O6 -","2","0.25","","Rad-Yousefnia, Negar; Shaabani, Behrouz; Korabik, Maria; Weselski, Marek; Zahedi, Mansoureh; Englert, Ulli; Bikas, Rahman; Szeliga, Daria; Otręba, Marta; Lis, Tadeusz","Magnetic dimensionality and the crystal structure of two copper(ii) coordination polymers containing Cu<sub>6</sub> and Cu<sub>2</sub> building units.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11421","11432","10.1039/c9dt01728c","","","0.71073","MoKα","","0.0851","0.0636","","","0.1833","0.201","","","","","","1.117","","","","has coordinates,has disorder","224350","2020-10-21","18:00:00",""
"7700337","8.549","0.003","12.643","0.005","16.071","0.006","90","","99.2","0.05","90","","1714.7","1.1","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cu3 N20 O -","- C4 H12 Cu3 N20 O -","- C16 H48 Cu12 N80 O4 -","4","1","","Rad-Yousefnia, Negar; Shaabani, Behrouz; Korabik, Maria; Weselski, Marek; Zahedi, Mansoureh; Englert, Ulli; Bikas, Rahman; Szeliga, Daria; Otręba, Marta; Lis, Tadeusz","Magnetic dimensionality and the crystal structure of two copper(ii) coordination polymers containing Cu<sub>6</sub> and Cu<sub>2</sub> building units.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11421","11432","10.1039/c9dt01728c","","","0.71073","MoKα","","0.1947","0.0965","","","0.1587","0.2024","","","","","","1.013","","","","has coordinates,has disorder","224350","2020-10-21","18:00:00",""
"7700338","11.6853","0.0006","14.4818","0.0007","16.2987","0.0008","99.296","0.001","91.708","0.001","92.461","0.001","2717.5","0.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","(NCN)Th(CH2SiMe3)3","","","- C43 H72 N2 Si3 Th -","- C43 H72 N2 Si3 Th -","- C86 H144 N4 Si6 Th2 -","2","1","","Qin, Guorui; Cheng, Jianhua","Thorium(iv) trialkyl complexes of non-carbocyclic ligands as highly active isoprene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11706","11714","10.1039/c9dt01617a","","","0.71073","MoKα","","0.0481","0.0398","","","0.0973","0.1009","","","","","","1.022","","","","has coordinates","224364","2020-10-21","18:00:00",""
"7700339","14.2747","0.0007","16.5427","0.0008","17.896","0.0009","90","","100.003","0.001","90","","4161.8","0.4","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[NP]Th(CH2C6H4CH3)3","","","- C48 H54 N P Th -","- C48 H54 N P Th -","- C192 H216 N4 P4 Th4 -","4","1","","Qin, Guorui; Cheng, Jianhua","Thorium(iv) trialkyl complexes of non-carbocyclic ligands as highly active isoprene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11706","11714","10.1039/c9dt01617a","","","0.71073","MoKα","","0.0397","0.0291","","","0.0659","0.0781","","","","","","1.068","","","","has coordinates","224364","2020-10-21","18:00:00",""
"7700340","12.1409","0.0005","21.171","0.0009","20.5445","0.0009","90","","98.567","0.001","90","","5221.7","0.4","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(NPN)Th(CH2SiMe3)3","","","- C48 H77 N2 P Si3 Th -","- C48 H77 N2 P Si3 Th -","- C192 H308 N8 P4 Si12 Th4 -","4","1","","Qin, Guorui; Cheng, Jianhua","Thorium(iv) trialkyl complexes of non-carbocyclic ligands as highly active isoprene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11706","11714","10.1039/c9dt01617a","","","0.71073","MoKα","","0.0393","0.0292","","","0.0655","0.0695","","","","","","1.042","","","","has coordinates,has disorder","224364","2020-10-21","18:00:00",""
"7700341","10.8929","0.0008","12.6477","0.001","13.5582","0.001","97.686","0.001","91.219","0.001","90.244","0.001","1850.7","0.2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","(TpMe2)Th(CH2SiMe3)3","","","- C27 H55 B N6 Si3 Th -","- C27 H55 B N6 Si3 Th -","- C54 H110 B2 N12 Si6 Th2 -","2","1","","Qin, Guorui; Cheng, Jianhua","Thorium(iv) trialkyl complexes of non-carbocyclic ligands as highly active isoprene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11706","11714","10.1039/c9dt01617a","","","0.71073","MoKα","","0.0347","0.0294","","","0.0729","0.0864","","","","","","1.081","","","","has coordinates","224364","2020-10-21","18:00:00",""
"7700342","9.88046","0.00017","11.9013","0.0002","12.18161","0.00018","77.2668","0.0015","81.0651","0.0014","86.7154","0.0016","1379.86","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N4 O7 Si -","- C28 H40 N4 O7 Si -","- C56 H80 N8 O14 Si2 -","2","1","","Tilburey, Graham E.; Blundell, Toby J.; Argent, Stephen P.; Perry, Carole C.","Azamacrocycles and tertiary amines can be used to form size tuneable hollow structures or monodisperse oxide nanoparticles depending on the 'M' source.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15470","15479","10.1039/c9dt02080b","","x-ray","0.6889","Synchrotron","","0.0997","0.062","","","0.1845","0.2026","","","","","","1.066","","","","has coordinates","223887","2020-10-21","18:00:00",""
"7700343","7.7298","0.0006","9.1139","0.0006","13.8569","0.001","78.234","0.006","82.835","0.006","69.877","0.007","895.77","0.12","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","Antonio","","- C12 H36 F12 N14 O10 P2 Ru2 S2 -","- C12 H36 F12 N14 O10 P2 Ru2 S2 -","- C12 H36 F12 N14 O10 P2 Ru2 S2 -","1","0.5","","Roveda, Jr, Antonio C; Santos, Willy G.; Souza, Maykon L.; Adelson, Charles N.; Gonçalves, Felipe S; Castellano, Eduardo E.; Garino, Claudio; Franco, Douglas W.; Cardoso, Daniel R.","Light-activated generation of nitric oxide (NO) and sulfite anion radicals (SO<sub>3</sub>˙<sup>-</sup>) from a ruthenium(ii) nitrosylsulphito complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10812","10823","10.1039/c9dt01432b","","x-ray","0.71073","MoKα","","0.0475","0.0369","","","0.0895","0.0959","","","","","","1.043","","","","has coordinates","223756","2020-10-21","18:00:00",""
"7700344","24.6469","0.0014","8.6875","0.0005","9.7514","0.0005","90","","90","","90","","2088","0.2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H18 B3 F12 N7 O2 Ru -","- C6 H18 B3 F12 N7 O2 Ru -","- C24 H72 B12 F48 N28 O8 Ru4 -","4","0.5","","Roveda, Jr, Antonio C; Santos, Willy G.; Souza, Maykon L.; Adelson, Charles N.; Gonçalves, Felipe S; Castellano, Eduardo E.; Garino, Claudio; Franco, Douglas W.; Cardoso, Daniel R.","Light-activated generation of nitric oxide (NO) and sulfite anion radicals (SO<sub>3</sub>˙<sup>-</sup>) from a ruthenium(ii) nitrosylsulphito complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10812","10823","10.1039/c9dt01432b","","x-ray","0.71073","MoKα","","0.0656","0.0416","","","0.0983","0.1085","","","","","","1.049","","","","has coordinates","223756","2020-10-21","18:00:00",""
"7700345","6.905","0.004","7.141","0.004","9.596","0.005","100.558","0.007","97.836","0.009","101.571","0.009","448.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 Cu N6 O2 -","- C7 H4 Cu N6 O2 -","- C14 H8 Cu2 N12 O4 -","2","1","","Liu, Xiangyu; Ma, Xiufang; Yang, Jinhui; Luo, Shuchang; Wang, Zheng; Ferrando-Soria, Jesús; Ma, Yulong; Shi, Quan; Pardo, Emilio","Solvent-induced single-crystal-to-single-crystal transformation and tunable magnetic properties of 1D azido-Cu(ii) chains with a carboxylate bridge.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11268","11277","10.1039/c9dt02031d","","","0.71073","MoKα","","0.0846","0.061","","","0.1955","0.221","","","","","","1.119","","","","has coordinates","224334","2020-10-21","18:00:00",""
"7700346","6.409","0.008","7.557","0.01","13.189","0.017","106.52","0.02","95.63","0.02","90.35","0.02","609.1","1.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Cu N6 O3 -","- C8 H8 Cu N6 O3 -","- C16 H16 Cu2 N12 O6 -","2","1","","Liu, Xiangyu; Ma, Xiufang; Yang, Jinhui; Luo, Shuchang; Wang, Zheng; Ferrando-Soria, Jesús; Ma, Yulong; Shi, Quan; Pardo, Emilio","Solvent-induced single-crystal-to-single-crystal transformation and tunable magnetic properties of 1D azido-Cu(ii) chains with a carboxylate bridge.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11268","11277","10.1039/c9dt02031d","","x-ray","0.71073","MoKα","","0.13","0.0915","","","0.2208","0.2374","","","","","","1.147","","","","has coordinates","224334","2020-10-21","18:00:00",""
"7700347","7.622","0.003","6.304","0.002","27.572","0.009","90","","91.69","0.006","90","","1324.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu N6 O3 -","- C9 H10 Cu N6 O3 -","- C36 H40 Cu4 N24 O12 -","4","1","","Liu, Xiangyu; Ma, Xiufang; Yang, Jinhui; Luo, Shuchang; Wang, Zheng; Ferrando-Soria, Jesús; Ma, Yulong; Shi, Quan; Pardo, Emilio","Solvent-induced single-crystal-to-single-crystal transformation and tunable magnetic properties of 1D azido-Cu(ii) chains with a carboxylate bridge.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11268","11277","10.1039/c9dt02031d","","","0.71073","MoKα","","0.0896","0.0499","","","0.1451","0.1973","","","","","","1.086","","","","has coordinates","224334","2020-10-21","18:00:00",""
"7700348","10.988","0.0009","15.385","0.0008","17.7426","0.0007","90","","107.031","0.012","90","","2867.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Co N8 Na O6 -","- C21 H32 Co N8 Na O6 -","- C84 H128 Co4 N32 Na4 O24 -","4","1","","Banerjee, Abhisek; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11433","11447","10.1039/c9dt01818b","","","0.71073","MoKα","","0.1534","0.1103","","","0.3286","0.3526","","","","","","1.076","","","","has coordinates,has disorder","224347","2020-10-21","18:00:00",""
"7700349","9.3617","0.0014","27.208","0.004","10.4378","0.0016","90","","90.585","0.004","90","","2658.5","0.7","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H64 Co2 N16 Na2 O8 -","- C46 H64 Co2 N16 Na2 O8 -","- C92 H128 Co4 N32 Na4 O16 -","2","1","","Banerjee, Abhisek; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11433","11447","10.1039/c9dt01818b","","","0.71073","MoKα","","0.0695","0.0636","","","0.1798","0.1889","","","","","","1.15","","","","has coordinates","224347","2020-10-21","18:00:00",""
"7700350","7.1829","0.0006","9.3204","0.001","10.233","0.0013","110.136","0.01","106.175","0.009","92.705","0.008","609.91","0.13","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl3 Dy N2 O3 -","- C22 H24 Cl3 Dy N2 O3 -","- C22 H24 Cl3 Dy N2 O3 -","1","0.5","","Giansiracusa, Marcus J.; Al-Badran, Susan; Kostopoulos, Andreas K.; Whitehead, George F. S.; Collison, David; Tuna, Floriana; Winpenny, Richard E. P.; Chilton, Nicholas F.","A large barrier single-molecule magnet without magnetic memory.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10795","10798","10.1039/c9dt01791g","","x-ray","0.71073","MoKα","","0.0876","0.0504","","","0.0866","0.097","","","","","","0.992","","","","has coordinates,has disorder","223748","2020-10-21","18:00:00",""
"7700351","9.061","0.0005","13.2205","0.0009","14.399","0.0007","90","","90","","90","","1724.87","0.17","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br4 Cd S2 -","- C6 H18 Br4 Cd S2 -","- C24 H72 Br16 Cd4 S8 -","4","1","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.1134","0.0606","","","0.0926","0.1034","","","","","","1.021","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700352","9.0416","0.0003","13.1334","0.0006","14.2839","0.0006","90","","90","","90","","1696.17","0.12","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br4 Mn S2 -","- C6 H18 Br4 Mn S2 -","- C24 H72 Br16 Mn4 S8 -","4","1","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.0774","0.0456","","","0.0957","0.1027","","","","","","1.084","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700353","12.547","0.003","8.969","0.002","16.063","0.004","90","","90","","90","","1807.6","0.7","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 Br8 Cd2 S4 -","- C12 H24 Br8 Cd2 S4 -","- C24 H48 Br16 Cd4 S8 -","2","0.25","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.4107","0.1569","","","0.3941","0.5185","","","","","","1.047","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700354","12.571","0.003","8.88","0.002","16.034","0.003","90","","90","","90","","1789.9","0.7","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H18 Br4 Mn S2 -","- C6 Br4 Mn S2 -","- C24 Br16 Mn4 S8 -","4","0.5","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.2883","0.1312","","","0.3649","0.4704","","","","","","1.021","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700355","9.0214","0.0004","13.0817","0.0005","14.2236","0.0006","90","","90","","90","","1678.6","0.12","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br4 S2 Zn -","- C6 H18 Br4 S2 Zn -","- C24 H72 Br16 S8 Zn4 -","4","1","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.078","0.0466","","","0.0724","0.0774","","","","","","1.036","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700356","14.1734","0.0009","16.7856","0.0012","22.6728","0.0015","78.562","0.005","88.157","0.005","74.328","0.005","5089.1","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C98.6 H142 B2 Cl3.2 F4 N4 P4 Pt2 S2 -","- C98.6 H142 B2 Cl3.2 F4 N4 P4 Pt2 S2 -","- C197.2 H284 B4 Cl6.4 F8 N8 P8 Pt4 S4 -","2","1","","Irmler, Peter; Gogesch, Franciska S.; Mang, André; Bodensteiner, Michael; Larsen, Christopher B.; Wenger, Oliver S.; Winter, Rainer F.","Directing energy transfer in Pt(bodipy)(mercaptopyrene) dyads.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11690","11705","10.1039/c9dt01737b","","","0.71073","MoKα","","0.087","0.0576","","","0.1401","0.1505","","","","","","1.052","","","","has coordinates,has disorder","224363","2020-10-21","18:00:00",""
"7700357","9.3246","0.0005","34.723","0.002","10.3829","0.0005","90","","92.701","0.004","90","","3358","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 B F2 I N2 P2 Pt -","- C29 H52 B F2 I N2 P2 Pt -","- C116 H208 B4 F8 I4 N8 P8 Pt4 -","4","1","","Irmler, Peter; Gogesch, Franciska S.; Mang, André; Bodensteiner, Michael; Larsen, Christopher B.; Wenger, Oliver S.; Winter, Rainer F.","Directing energy transfer in Pt(bodipy)(mercaptopyrene) dyads.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11690","11705","10.1039/c9dt01737b","","","0.71073","MoKα","","0.0496","0.0448","","","0.1126","0.1153","","","","","","1.005","","","","has coordinates","224363","2020-10-21","18:00:00",""
"7700358","5.4178","0.0002","5.4178","0.0002","5.4178","0.0002","90","","90","","90","","159.026","0.01","295","","295","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Zuñiga-Puelles, E; Cardoso-Gil, R; Bobnar, M.; Veremchuk, I.; Himcinschi, C.; Hennig, C.; Kortus, J.; Heide, G.; Gumeniuk, R.","Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS<sub>2</sub>).","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10703","10713","10.1039/c9dt01902b","","","0.71073","MoKα","","0.015","0.0151","","0.015","","0.0176","","","","","","1.02","","","","has coordinates","223779","2020-10-21","18:00:00",""
"7700359","12.8401","0.0005","18.7501","0.0007","21.9899","0.0008","90","","90.288","0.001","90","","5294.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H58 B F10 O4 P -","- C51 H58 B F10 O4 P -","- C204 H232 B4 F40 O16 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","1.54178","CuKα","","0.036","0.0331","","","0.0832","0.0853","","","","","","1.025","","","","has coordinates","224374","2020-10-21","18:00:00",""
"7700360","13.6159","0.0002","14.1771","0.0002","16.6822","0.0004","108.848","0.001","105.753","0.001","101.729","0.001","2779.38","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 B F10 O4 P -","- C52 H60 B F10 O4 P -","- C104 H120 B2 F20 O8 P2 -","2","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","0.71073","MoKα","","0.0988","0.0729","","","0.1623","0.1761","","","","","","1.05","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700361","15.095","0.0016","21.1103","0.0024","20.7623","0.0026","90","","92.837","0.005","90","","6608","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 B F10 O2 P -","- C75 H78 B F10 O2 P -","- C300 H312 B4 F40 O8 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","0.71073","MoKα","","0.0986","0.078","","","0.2086","0.2303","","","","","","1.145","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700362","14.2529","0.0002","26.1834","0.0003","19.6681","0.0003","90","","107.608","0.001","90","","6996.04","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H67 B F15 O4 P -","- C65 H67 B F15 O4 P -","- C260 H268 B4 F60 O16 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","0.71073","MoKα","","0.0495","0.0423","","","0.1135","0.1184","","","","","","1.044","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700363","18.228","0.0005","14.2366","0.0006","21.4359","0.0008","90","","101.648","0.001","90","","5448.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 B F10 O2 P -","- C61 H62 B F10 O2 P -","- C244 H248 B4 F40 O8 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","0.71073","MoKα","","0.1167","0.0804","","","0.1322","0.1475","","","","","","1.198","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700364","14.9129","0.0002","21.1097","0.0004","20.6454","0.0004","90","","94.226","0.001","90","","6481.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H64 B F10 O2 P -","- C62 H64 B F10 O2 P -","- C248 H256 B4 F40 O8 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","0.71073","MoKα","","0.0953","0.0635","","","0.1368","0.1519","","","","","","1.053","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700365","12.7327","0.0007","15.3551","0.0009","16.4471","0.001","91.125","0.002","96.291","0.002","102.327","0.002","3119.5","0.3","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 B F10 O2 P -","- C62 H64 B F10 O2 P -","- C124 H128 B2 F20 O4 P2 -","2","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","0.71073","MoKα","","0.0771","0.0573","","","0.132","0.1404","","","","","","1.053","","","","has coordinates","224374","2020-10-21","18:00:00",""
"7700366","15.4751","0.0013","17.3486","0.0014","21.6515","0.0013","90","","97.642","0.005","90","","5761.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H62 B F10 O2 P -","- C61 H62 B F10 O2 P -","- C244 H248 B4 F40 O8 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","1.54178","CuKα","","0.1316","0.0745","","","0.1825","0.2165","","","","","","1.007","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700367","11.5331","0.001","22.0907","0.0017","19.0773","0.0016","90","","94.56","0.005","90","","4845","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 B F15 O4 P -","- C46 H35 B F15 O4 P -","- C184 H140 B4 F60 O16 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","1.54178","CuKα","","0.1024","0.0631","","","0.1584","0.182","","","","","","1.006","","","","has coordinates","224374","2020-10-21","18:00:00",""
"7700368","13.0054","0.0018","22.366","0.003","18.943","0.003","90","","99.956","0.008","90","","5427.1","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 B F10 O4 P -","- C57 H72 B F10 O4 P -","- C228 H288 B4 F40 O16 P4 -","4","1","","Wang, Long; Li, Jun; Deng, Dongsheng; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Carbon-carbon bond forming reactions of acetylenic esters and ketones within frustrated phosphane/borane Lewis pair frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11921","11926","10.1039/c9dt02624j","","","1.54178","CuKα","","0.0655","0.0474","","","0.1154","0.1245","","","","","","1.051","","","","has coordinates,has disorder","224374","2020-10-21","18:00:00",""
"7700369","7.5635","0.0001","22.0902","0.0004","16.0872","0.0004","90","","100.009","0.002","90","","2646.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl4 Co N6 -","- C26 H24 Cl4 Co N6 -","- C104 H96 Cl16 Co4 N24 -","4","1","","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Rajnák, Cyril; Titiš, Ján; Boča, Roman","Long magnetic relaxation time of tetracoordinate Co<sup>2+</sup> in imidazo[1,5-a]pyridinium-based (C<sub>13</sub>H<sub>12</sub>N<sub>3</sub>)<sub>2</sub>[CoCl<sub>4</sub>] hybrid salt and [Co(C<sub>13</sub>H<sub>12</sub>N<sub>3</sub>)Cl<sub>3</sub>] molecular complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11278","11284","10.1039/c9dt01642b","","","0.71073","MoKα","","0.058","0.0397","","","0.0828","0.0887","","","","","","1.027","","","","has coordinates","224337","2020-10-21","18:00:00",""
"7700370","30.956","0.002","7.5909","0.0002","14.5621","0.0006","90","","116.232","0.004","90","","3069.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl3 Co N3 -","- C13 H12 Cl3 Co N3 -","- C104 H96 Cl24 Co8 N24 -","8","1","","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Rajnák, Cyril; Titiš, Ján; Boča, Roman","Long magnetic relaxation time of tetracoordinate Co<sup>2+</sup> in imidazo[1,5-a]pyridinium-based (C<sub>13</sub>H<sub>12</sub>N<sub>3</sub>)<sub>2</sub>[CoCl<sub>4</sub>] hybrid salt and [Co(C<sub>13</sub>H<sub>12</sub>N<sub>3</sub>)Cl<sub>3</sub>] molecular complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11278","11284","10.1039/c9dt01642b","","x-ray","0.71073","MoKα","","0.0431","0.0331","","","0.0713","0.0763","","","","","","1.063","","","","has coordinates","224337","2020-10-21","18:00:00",""
"7700371","10.435","0.006","13.95","0.008","17.033","0.009","90","","98.418","0.016","90","","2453","2","150","2","150","2","","","","","","","synthesized by the authors","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B F4 Mo N2 O2 S -","- C26 H19 B F4 Mo N2 O2 S -","- C104 H76 B4 F16 Mo4 N8 O8 S4 -","4","1","","Mrózek, Ondřej; Melounková, Lucie; Dostál, Libor; Císařová, Ivana; Eisner, Aleš; Havelek, Radim; Peterová, Eva; Honzíček, Jan; Vinklárek, Jaromír","Enhanced cytotoxicity of indenyl molybdenum(ii) compounds bearing a thiophene function.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11361","11373","10.1039/c9dt01698h","","","0.71073","MoKα","","0.0435","0.0352","","","0.0875","0.0939","","","","","","1.036","","","","has coordinates","224343","2020-10-21","18:00:00",""
"7700372","9.7184","0.0007","8.1432","0.0006","20.7926","0.0014","90","","100.207","0.002","90","","1619.5","0.2","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Mo O2 S -","- C19 H16 Mo O2 S -","- C76 H64 Mo4 O8 S4 -","4","1","","Mrózek, Ondřej; Melounková, Lucie; Dostál, Libor; Císařová, Ivana; Eisner, Aleš; Havelek, Radim; Peterová, Eva; Honzíček, Jan; Vinklárek, Jaromír","Enhanced cytotoxicity of indenyl molybdenum(ii) compounds bearing a thiophene function.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11361","11373","10.1039/c9dt01698h","","","0.71073","MoKα","","0.0229","0.0223","","","0.0571","0.0574","","","","","","1.116","","","","has coordinates,has disorder","224343","2020-10-21","18:00:00",""
"7700373","8.7904","0.0006","16.7321","0.0012","10.2991","0.0008","90","","108.714","0.003","90","","1434.73","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Ge Mn N4 S3 -","- C6 H20 Ge Mn N4 S3 -","- C24 H80 Ge4 Mn4 N16 S12 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.0623","0.0407","","","0.0838","0.0914","","","","","","1.062","","","","has coordinates,has disorder","223757","2020-10-21","18:00:00",""
"7700374","8.733","0.002","13.432","0.003","13.583","0.003","90","","91.486","0.008","90","","1592.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Ge N5 O Se3 V -","- C6 H22 Ge N5 O Se3 V -","- C24 H88 Ge4 N20 O4 Se12 V4 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.0756","0.0489","","","0.1159","0.1272","","","","","","1.059","","","","has coordinates","223757","2020-10-21","18:00:00",""
"7700375","8.2096","0.0007","12.2884","0.0013","6.2601","0.0006","90","","90","","90","","631.54","0.11","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C4 H15 Ge Mn N3 S4 -","- C4 H15 Ge Mn N3 S4 -","- C8 H30 Ge2 Mn2 N6 S8 -","2","0.5","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.0467","0.0284","","","0.0513","0.0559","","","","","","1.018","","","","has coordinates","223757","2020-10-21","18:00:00",""
"7700376","10.0435","0.0008","13.4678","0.0012","9.3893","0.0007","90","","104.367","0.002","90","","1230.31","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Ge Mn N4 S3 -","- C4 H16 Ge Mn N4 S3 -","- C16 H64 Ge4 Mn4 N16 S12 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.086","0.04","","","0.0542","0.0632","","","","","","1.006","","","","has coordinates","223757","2020-10-21","18:00:00",""
"7700377","9.448","0.0012","10.178","0.0013","10.4361","0.0012","109.09","0.004","104.169","0.004","111.52","0.005","802.73","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H48 Ge2 N12 O Se6 V2 -","- C12 H48 Ge2 N12 O Se6 V2 -","- C12 H48 Ge2 N12 O Se6 V2 -","1","0.5","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.065","0.0351","","","0.0576","0.0645","","","","","","1.003","","","","has coordinates","223757","2020-10-21","18:00:00",""
"7700378","9.0574","0.0006","14.2086","0.001","13.1189","0.0009","90","","91.384","0.002","90","","1687.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Ge N5 O Se3 V -","- C8 H24 Ge N5 O Se3 V -","- C32 H96 Ge4 N20 O4 Se12 V4 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Cao, Shumei","A series of new hybrid chalcogenogermanates: the rare examples of chalcogenogermanates combined with trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10907","10914","10.1039/c9dt02077b","","","0.71073","MoKα","","0.0633","0.0462","","","0.1087","0.1166","","","","","","1.08","","","","has coordinates","223757","2020-10-21","18:00:00",""
"7700379","8.8493","0.0006","25.7425","0.0015","9.7652","0.0006","90","","106.862","0.0012","90","","2128.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O7 Zn -","- C20 H28 N2 O7 Zn -","- C80 H112 N8 O28 Zn4 -","4","1","","Rosales-Vázquez, Luis D; Valdes-García, Josue; Bazany-Rodríguez, Iván J; Germán-Acacio, Juan M; Martínez-Otero, Diego; Vilchis-Néstor, Alfredo R; Morales-Luckie, Raúl; Sánchez-Mendieta, Víctor; Dorazco-González, Alejandro","A sensitive photoluminescent chemosensor for cyanide in water based on a zinc coordination polymer bearing ditert-butyl-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12407","12420","10.1039/c9dt01861a","","","0.71073","MoKα","","0.034","0.0291","","","0.0716","0.0741","","","","","","1.027","","","","has coordinates,has disorder","223983","2020-10-21","18:00:00",""
"7700380","9.2334","0.0002","11.2034","0.0003","27.9409","0.0007","90","","95.9508","0.0013","90","","2874.78","0.12","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C52 H86 N4 O17 Zn2 -","- C52 H86 N4 O17 Zn2 -","- C104 H172 N8 O34 Zn4 -","2","1","","Rosales-Vázquez, Luis D; Valdes-García, Josue; Bazany-Rodríguez, Iván J; Germán-Acacio, Juan M; Martínez-Otero, Diego; Vilchis-Néstor, Alfredo R; Morales-Luckie, Raúl; Sánchez-Mendieta, Víctor; Dorazco-González, Alejandro","A sensitive photoluminescent chemosensor for cyanide in water based on a zinc coordination polymer bearing ditert-butyl-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12407","12420","10.1039/c9dt01861a","","","1.54178","CuKα","","0.0307","0.0299","","","0.0766","0.0773","","","","","","1.032","","","","has coordinates,has disorder","223983","2020-10-21","18:00:00",""
"7700381","10.0221","0.0005","20.7033","0.0009","10.1283","0.0005","90","","113.277","0.001","90","","1930.48","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O5 Zn -","- C20 H24 N2 O5 Zn -","- C80 H96 N8 O20 Zn4 -","4","1","","Rosales-Vázquez, Luis D; Valdes-García, Josue; Bazany-Rodríguez, Iván J; Germán-Acacio, Juan M; Martínez-Otero, Diego; Vilchis-Néstor, Alfredo R; Morales-Luckie, Raúl; Sánchez-Mendieta, Víctor; Dorazco-González, Alejandro","A sensitive photoluminescent chemosensor for cyanide in water based on a zinc coordination polymer bearing ditert-butyl-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12407","12420","10.1039/c9dt01861a","","","0.71073","MoKα","","0.0343","0.0321","","","0.0862","0.0873","","","","","","1.125","","","","has coordinates","223983","2020-10-21","18:00:00",""
"7700382","11.7637","0.0001","14.7379","0.0003","20.9329","0.0003","90","","90","","90","","3629.18","0.1","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 N6 O2 Os P -","- C41 H32 N6 O2 Os P -","- C164 H128 N24 O8 Os4 P4 -","4","1","","Xiang, Jing; Su, Qian-Qian; Luo, Li-Juan; Lau, Tai-Chu","Synthesis and reactivity of an osmium(iii) aminoguanidine complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11404","11410","10.1039/c9dt01711a","","","1.54178","CuKα","","0.0442","0.0387","","","0.096","0.099","","","","","","1.031","","","","has coordinates,has disorder","224349","2020-10-21","18:00:00",""
"7700383","11.7382","0.0001","16.3662","0.0002","20.8351","0.0002","90","","90","","90","","4002.63","0.07","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N8 O3 Os P -","- C42 H38 N8 O3 Os P -","- C168 H152 N32 O12 Os4 P4 -","4","1","","Xiang, Jing; Su, Qian-Qian; Luo, Li-Juan; Lau, Tai-Chu","Synthesis and reactivity of an osmium(iii) aminoguanidine complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11404","11410","10.1039/c9dt01711a","","","1.54178","CuKα","","0.0287","0.0274","","","0.0702","0.0708","","","","","","1.043","","","","has coordinates","224349","2020-10-21","18:00:00",""
"7700384","11.8153","0.0007","17.1707","0.001","14.724","0.0008","90","","110.951","0.002","90","","2789.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Ga N3 O2 -","- C35 H28 Ga N3 O2 -","- C140 H112 Ga4 N12 O8 -","4","1","","Sumiyoshi, Akinobu; Chiba, Yusuke; Matsuoka, Ryota; Noda, Takumu; Nabeshima, Tatsuya","Efficient luminescent properties and cation recognition ability of heavy group 13 element complexes of N<sub>2</sub>O<sub>2</sub>- and N<sub>2</sub>O<sub>4</sub>-type dipyrrins.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13169","13175","10.1039/c9dt02403d","","","0.71073","MoKα","","0.0919","0.0479","","","0.1308","0.158","","","","","","1.002","","","","has coordinates","224506","2020-10-21","18:00:00",""
"7700385","9.4808","0.0008","13.7142","0.0012","35.759","0.003","90","","94.458","0.002","90","","4635.4","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 Ga N7 O4 -","- C55 H48 Ga N7 O4 -","- C220 H192 Ga4 N28 O16 -","4","1","","Sumiyoshi, Akinobu; Chiba, Yusuke; Matsuoka, Ryota; Noda, Takumu; Nabeshima, Tatsuya","Efficient luminescent properties and cation recognition ability of heavy group 13 element complexes of N<sub>2</sub>O<sub>2</sub>- and N<sub>2</sub>O<sub>4</sub>-type dipyrrins.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13169","13175","10.1039/c9dt02403d","","","0.71073","MoKα","","0.1014","0.0743","","","0.1407","0.1493","","","","","","1.191","","","","has coordinates","224506","2020-10-21","18:00:00",""
"7700386","13.5815","0.001","14.0146","0.001","25.346","0.002","80.911","0.002","86.459","0.002","82.244","0.002","4716.2","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C102.5 H111 In3 N6 O20 -","- C102.5 H111 In3 N6 O20 -","- C205 H222 In6 N12 O40 -","2","1","","Sumiyoshi, Akinobu; Chiba, Yusuke; Matsuoka, Ryota; Noda, Takumu; Nabeshima, Tatsuya","Efficient luminescent properties and cation recognition ability of heavy group 13 element complexes of N<sub>2</sub>O<sub>2</sub>- and N<sub>2</sub>O<sub>4</sub>-type dipyrrins.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13169","13175","10.1039/c9dt02403d","","","0.71073","MoKα","","0.0755","0.0604","","","0.1306","0.1393","","","","","","1.171","","","","has coordinates,has disorder","224506","2020-10-21","18:00:00",""
"7700387","13.486","0.003","3.0841","0.0006","9.0857","0.0018","90","","90","","90","","377.89","0.13","273","2","273","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu N6 -","- Cu N6 -","- Cu4 N24 -","4","0.5","","Shi, Taqing; Xu, Ye; Zou, Ya-Jing; Wang, Zhao-Xi","Synthesis, structure and magnetic properties of copper(ii) azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11186","11190","10.1039/c9dt01450k","","","0.71073","MoKα","","0.0198","0.0171","","","0.0404","0.0419","","","","","","1.085","","","","has coordinates","224348","2020-10-21","18:00:00",""
"7700388","16.5783","0.0006","17.2734","0.0005","16.9386","0.0006","90","","111.045","0.004","90","","4527.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cu2 Fe N9 O16 -","- C46 H32 Cu2 Fe N9 O16 -","- C184 H128 Cu8 Fe4 N36 O64 -","4","0.5","","Muzioł, Tadeusz M; Tereba, Natalia; Podgajny, Robert; Kędziera, Dariusz; Wrzeszcz, Grzegorz","Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green \ρightarrow blue →red crystal color sequence.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11536","11546","10.1039/c9dt02216c","","x-ray","0.71073","MoKα","","0.0358","0.0271","","","0.0821","0.0885","","","","","","0.664","","","","has coordinates,has disorder","224351","2020-10-21","18:00:00",""
"7700389","22.8905","0.0014","13.7526","0.001","22.5276","0.0016","90","","93.211","0.006","90","","7080.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 Fe3 N13 O25 -","- C66 H48 Fe3 N13 O24.5 -","- C264 H192 Fe12 N52 O98 -","4","1","","Muzioł, Tadeusz M; Tereba, Natalia; Podgajny, Robert; Kędziera, Dariusz; Wrzeszcz, Grzegorz","Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green \ρightarrow blue →red crystal color sequence.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11536","11546","10.1039/c9dt02216c","","x-ray","0.71073","MoKα","","0.0964","0.0573","","","0.143","0.173","","","","","","1.042","","","","has coordinates,has disorder","224351","2020-10-21","18:00:00",""
"7700390","22.7927","0.0006","13.8928","0.0004","22.2881","0.0006","90","","95.874","0.002","90","","7020.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 Cu2 Fe N13 O25 -","- C66 H68 Cu2 Fe N13 O25 -","- C264 H272 Cu8 Fe4 N52 O100 -","4","1","","Muzioł, Tadeusz M; Tereba, Natalia; Podgajny, Robert; Kędziera, Dariusz; Wrzeszcz, Grzegorz","Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green \ρightarrow blue →red crystal color sequence.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11536","11546","10.1039/c9dt02216c","","x-ray","0.7999","synchrotron","","0.053","0.0378","","","0.0879","0.0947","","","","","","1.053","","","","has coordinates","224351","2020-10-21","18:00:00",""
"7700391","22.4119","0.0004","13.8413","0.0002","22.4102","0.0006","90","","95.0901","0.0017","90","","6924.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 Fe3 N13 O25 -","- C66 H61.25 Fe3 N13 O25 -","- C264 H245 Fe12 N52 O100 -","4","1","","Muzioł, Tadeusz M; Tereba, Natalia; Podgajny, Robert; Kędziera, Dariusz; Wrzeszcz, Grzegorz","Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green \ρightarrow blue →red crystal color sequence.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11536","11546","10.1039/c9dt02216c","","x-ray","0.82657","","","0.0485","0.046","","","0.1318","0.1341","","","","","","1.048","","","","has coordinates,has disorder","224351","2020-10-21","18:00:00",""
"7700392","24.7465","0.0012","33.4859","0.0014","18.4434","0.0008","90","","90","","90","","15283.3","1.2","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C37 H52 Cu2 N6 O17 -","- C22 H15 Cu2 N O11 -","- C264 H180 Cu24 N12 O132 -","12","0.75","","He, Minghui; Xia, Fengjie; Xu, Tingting; Gao, Xiaoxia; Jiang, Zhenzhen; Wang, Xia; He, Yabing","A lactam-functionalized copper bent diisophthalate framework displaying significantly enhanced adsorption of CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> over CH<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11374","11381","10.1039/c9dt01778j","","","1.54178","CuKα","","0.0875","0.0688","","","0.2074","0.2255","","","","","","1.079","","","","has coordinates","224345","2020-10-21","18:00:00",""
"7700393","13.3894","0.0008","14.663","0.0008","24.6137","0.0014","77.019","0.002","82.09","0.002","66.598","0.002","4315.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113.25 H135 Fe20 N30 O91.25 -","- C113.25 H135 Fe20 N30 O91.25 -","- C113.25 H135 Fe20 N30 O91.25 -","1","0.5","","Mayans, J.; Roc, L.; Font-Bardia, M; Escuer, A.","Decanuclear Fe<sup>III</sup> clusters with hemiacetal ligands: a new {M<sub>10</sub>(μ<sub>3</sub>-O)<sub>8</sub>} cluster core.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13139","13142","10.1039/c9dt01568j","","","0.71073","MoKα","","0.0708","0.0376","","","0.0973","0.1097","","","","","","1.013","","","","has coordinates,has disorder","224499","2020-10-21","18:00:00",""
"7700394","18.18","0.004","18.18","0.004","16.36","0.004","90","","90","","90","","5407","2","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C64 H76 Fe10 N16 O48 -","- C64 H76 Fe10 N16 O48 -","- C128 H152 Fe20 N32 O96 -","2","0.25","","Mayans, J.; Roc, L.; Font-Bardia, M; Escuer, A.","Decanuclear Fe<sup>III</sup> clusters with hemiacetal ligands: a new {M<sub>10</sub>(μ<sub>3</sub>-O)<sub>8</sub>} cluster core.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13139","13142","10.1039/c9dt01568j","","","0.71073","MoKα","","0.1127","0.0782","","","0.1964","0.2309","","","","","","1.169","","","","has coordinates","224499","2020-10-21","18:00:00",""
"7700395","13.6911","0.0004","18.1247","0.0005","19.8116","0.0005","90","","90.093","0.002","90","","4916.2","0.2","120","","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C77 H92 Dy Ga8 N9 O36 -","- C77 H92 Dy Ga8 N9 O36 -","- C154 H184 Dy2 Ga16 N18 O72 -","2","0.5","","Athanasopoulou, Angeliki A.; Baldoví, José J; Carrella, Luca M.; Rentschler, Eva","Field-induced slow magnetic relaxation in the first Dy(iii)-centered 12-metallacrown-4 double-decker.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15381","15385","10.1039/c9dt02432h","","","0.71073","MoKα","","0.1082","0.0973","","","0.2554","0.2648","","","","","","1.165","","","","has coordinates,has disorder","223886","2020-10-21","18:00:00",""
"7700396","33.102","0.003","33.102","0.003","21.711","0.002","90","","90","","90","","23790","4","215","2","215","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C222 H282 N30 O66 Zr6 -","- C132 H60 O36 Zr6 -","- C264 H120 O72 Zr12 -","2","0.125","","Jin, Guanghua; Sensharma, Debobroto; Zhu, Nianyong; Vaesen, Sebastien; Schmitt, Wolfgang","A highly augmented, (12,3)-connected Zr-MOF containing hydrated coordination sites for the catalytic transformation of gaseous CO<sub>2</sub> to cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15487","15492","10.1039/c9dt02117e","","","1.54184","CuKα","","0.0749","0.0577","","","0.1643","0.1762","","","","","","1.066","","","","has coordinates","223897","2020-10-21","18:00:00",""
"7700397","8.573","0.0002","21.4804","0.0004","18.9257","0.0004","90","","91.632","0.002","90","","3483.78","0.13","150.01","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Cl2 Co2 Mn4 N10 O20 -","- C58 H82 Cl2 Co2 Mn4 N10 O20 -","- C116 H164 Cl4 Co4 Mn8 N20 O40 -","2","0.5","","Stetsiuk, Oleh; Synytsia, Valentyn; Petrusenko, Svitlana R.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Cano, Joan; Lloret, Francesc; Julve, Miguel; Fleury, Benoit; Avarvari, Narcis","Co-existence of ferro- and antiferromagnetic interactions in a hexanuclear mixed-valence CoMnMn cluster sustained by a multidentate Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11862","11871","10.1039/c9dt02503k","","","1.54184","CuKα","","0.0337","0.0284","","","0.0738","0.0771","","","","","","1.042","","","","has coordinates","224365","2020-10-21","18:00:00",""
"7700398","14.9321","0.0011","11.8841","0.0009","12.355","0.0009","90","","110.699","0.008","90","","2050.9","0.3","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F6 N O P Pd S2 -","- C17 H20 F6 N O P Pd S2 -","- C68 H80 F24 N4 O4 P4 Pd4 S8 -","4","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0416","0.0325","","","0.0682","0.0717","","","","","","1.038","","","","has coordinates","224354","2020-10-21","18:00:00",""
"7700399","8.2","0.003","11.574","0.005","13.934","0.005","81.388","0.006","73.532","0.005","79.026","0.006","1238.5","0.8","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C21 H23 F6 N2 O P Pd S3 -","- C21 H23 F6 N2 O P Pd S3 -","- C42 H46 F12 N4 O2 P2 Pd2 S6 -","2","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0328","0.0292","","","0.0714","0.0732","","","","","","1.075","","","","has coordinates","224354","2020-10-21","18:00:00",""
"7700400","9.9503","0.0017","10.8027","0.0018","13.062","0.002","87.421","0.006","71.412","0.005","68.718","0.005","1236.1","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 Pd2 -","- C28 H22 N2 O6 Pd2 -","- C56 H44 N4 O12 Pd4 -","2","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0465","0.0342","","","0.0768","0.0817","","","","","","1.04","","","","has coordinates","224354","2020-10-21","18:00:00",""
"7700401","6.826","0.002","10.59","0.004","15.068","0.005","84.736","0.006","85.891","0.006","79.079","0.006","1063.3","0.6","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H20 F6 N O P Pd S3 -","- C18 H20 F6 N O P Pd S3 -","- C36 H40 F12 N2 O2 P2 Pd2 S6 -","2","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0314","0.0271","","","0.0676","0.069","","","","","","1.096","","","","has coordinates","224354","2020-10-21","18:00:00",""
"7700402","8.1573","0.0008","11.5199","0.0012","14.1783","0.0014","80.646","0.006","73.894","0.005","77.935","0.006","1244","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H23 F6 N2 O3 P Pd S3 -","- C20 H23 F6 N2 O3 P Pd S3 -","- C40 H46 F12 N4 O6 P2 Pd2 S6 -","2","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0371","0.0326","","","0.0818","0.0842","","","","","","1.08","","","","has coordinates","224354","2020-10-21","18:00:00",""
"7700403","14.3588","0.0014","12.2238","0.0013","13.3861","0.0014","90","","114.02","0.008","90","","2146.1","0.4","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F6 N O2 P Pd S2 -","- C18 H20 F6 N O2 P Pd S2 -","- C72 H80 F24 N4 O8 P4 Pd4 S8 -","4","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0674","0.0473","","","0.1073","0.117","","","","","","1.037","","","","has coordinates,has disorder","224354","2020-10-21","18:00:00",""
"7700404","24.572","0.002","9.7149","0.0008","23.534","0.002","90","","105.282","0.01","90","","5419.3","0.8","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 F6 N2 O4 Pd2 -","- C28 H20 F6 N2 O4 Pd2 -","- C224 H160 F48 N16 O32 Pd16 -","8","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0623","0.0487","","","0.0959","0.1018","","","","","","1.1","","","","has coordinates,has disorder","224354","2020-10-21","18:00:00",""
"7700405","8.3654","0.0011","11.5711","0.0015","14.3794","0.0019","95.561","0.007","105.629","0.007","106.146","0.008","1265.1","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H23 F6 N2 O3 P Pd S3 -","- C20 H23 F6 N2 O3 P Pd S3 -","- C40 H46 F12 N4 O6 P2 Pd2 S6 -","2","1","","Janzen, Daron E.; Bruening, Meaghan A.; Mamiya, Arthur A.; Driscoll, Laura E.; da Silva Filho, Demetrio A.","Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11520","11535","10.1039/c9dt02059d","","","0.71075","MoKα","","0.0843","0.0729","","","0.1449","0.1495","","","","","","1.185","","","","has coordinates,has disorder","224354","2020-10-21","18:00:00",""
"7700406","10.5997","0.0003","13.1225","0.0004","14.7707","0.0004","90","","97.078","0.001","90","","2038.87","0.1","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 B Br2 F2 N2 -","- C21 H19 B Br2 F2 N2 -","- C84 H76 B4 Br8 F8 N8 -","4","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","x-ray","1.54178","CuKα","","0.1178","0.0589","","","0.1336","0.161","","","","","","0.932","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700407","7.455","0.006","8.721","0.008","13.533","0.011","103.373","0.018","93.628","0.019","97.399","0.019","844.9","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 B Br2 F2 N2 -","- C15 H15 B Br2 F2 N2 -","- C30 H30 B2 Br4 F4 N4 -","2","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","0.71073","MoKα","","0.1874","0.1017","","","0.2588","0.3137","","","","","","0.993","","","","has coordinates,has disorder","224346","2020-10-21","18:00:00",""
"7700408","10.0662","0.0005","12.857","0.0007","16.5093","0.0008","90","","92.355","0.001","90","","2134.85","0.19","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 B Br2 F2 N2 O -","- C22 H21 B Br2 F2 N2 O -","- C88 H84 B4 Br8 F8 N8 O4 -","4","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","x-ray","0.71073","MoKα","","0.0353","0.0257","","","0.0595","0.062","","","","","","1.031","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700409","6.918","0.0001","10.5403","0.0002","33.2991","0.0007","90","","90","","90","","2428.1","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 B Br2 F2 N2 -","- C27 H23 B Br2 F2 N2 -","- C108 H92 B4 Br8 F8 N8 -","4","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","1.54178","CuKα","","0.0821","0.0509","","","0.1045","0.1181","","","","","","1.012","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700410","6.9896","0.0003","10.5341","0.0004","27.653","0.001","90","","90","","90","","2036.07","0.14","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 B Br2 F2 N2 -","- C21 H19 B Br2 F2 N2 -","- C84 H76 B4 Br8 F8 N8 -","4","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","x-ray","1.54186","CuKα","","0.0503","0.0429","","","0.103","0.1085","","","","","","1.047","","","","has coordinates,has disorder","224346","2020-10-21","18:00:00",""
"7700411","6.745","0.0003","9.8253","0.0004","18.2196","0.0007","78.333","0.001","86.179","0.001","81.662","0.001","1169.13","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 B Br4 F2 N2 -","- C23 H19 B Br4 F2 N2 -","- C46 H38 B2 Br8 F4 N4 -","2","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","1.54178","CuKα","","0.0533","0.0477","","","0.132","0.137","","","","","","1.045","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700412","6.6203","0.0003","9.5217","0.0005","16.6484","0.0008","98.448","0.002","92.61","0.001","99.504","0.001","1021.2","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H19 B Br2 F2 N2 O -","- C22 H19 B Br2 F2 N2 O -","- C44 H38 B2 Br4 F4 N4 O2 -","2","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","x-ray","1.54178","CuKα","","0.0842","0.0766","","","0.245","0.261","","","","","","1.086","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700413","6.7706","0.0002","9.5188","0.0002","16.5435","0.0004","98.031","0.001","93.786","0.001","98.549","0.001","1039.9","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 B Br3 F2 N2 -","- C21 H18 B Br3 F2 N2 -","- C42 H36 B2 Br6 F4 N4 -","2","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","1.54178","CuKα","","0.0463","0.045","","","0.1227","0.1238","","","","","","1.089","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700414","36.157","0.0013","39.5961","0.0014","6.7201","0.0002","90","","90","","90","","9621","0.6","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C27 H23 B Br2 F2 N2 -","- C27 H23 B Br2 F2 N2 -","- C432 H368 B16 Br32 F32 N32 -","16","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","1.54178","CuKα","","0.0534","0.0481","","","0.1236","0.1276","","","","","","1.037","","","","has coordinates,has disorder","224346","2020-10-21","18:00:00",""
"7700415","9.1733","0.0003","12.4635","0.0004","15.5191","0.0005","112.893","0.002","96.43","0.002","101.164","0.002","1568.82","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 B Br4 F2 N2 -","- C35 H27 B Br4 F2 N2 -","- C70 H54 B2 Br8 F4 N4 -","2","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","x-ray","1.54178","CuKα","","0.1967","0.1243","","","0.3255","0.3878","","","","","","1.111","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700416","18.3001","0.0013","10.5868","0.0006","18.5561","0.0014","90","","90","","90","","3595","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H39 F6 N2 O4 Pd2 Sb -","- C32 H39 F6 N2 O4 Pd2 Sb -","- C128 H156 F24 N8 O16 Pd8 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor","Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11912","11920","10.1039/c9dt02340b","","","0.71073","MoKα","","0.1108","0.0577","","","0.0745","0.0856","","","","","","1.009","","","","has coordinates,has disorder","224371","2020-10-21","18:00:00",""
"7700417","9.9651","0.001","22.9","0.0014","18.0049","0.0013","90","","118.278","0.007","90","","3618.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Cl2 N2 Pd2 Sb -","- C34 H45 Cl2 N2 Pd2 Sb -","- C136 H180 Cl8 N8 Pd8 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor","Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11912","11920","10.1039/c9dt02340b","","","0.71073","MoKα","","0.0362","0.0242","","","0.0514","0.059","","","","","","1.212","","","","has coordinates","224371","2020-10-21","18:00:00",""
"7700418","26.6878","0.0009","12.1213","0.0004","23.2984","0.0008","90","","90","","90","","7536.8","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H49 Cl2 N2 Pd2 Sb -","- C36 H49 Cl2 N2 Pd2 Sb -","- C288 H392 Cl16 N16 Pd16 Sb8 -","8","2","","Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor","Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11912","11920","10.1039/c9dt02340b","","","0.71073","MoKα","","0.1445","0.067","","","0.0843","0.0983","","","","","","1.031","","","","has coordinates,has disorder","224371","2020-10-21","18:00:00",""
"7700419","16.2454","0.0007","16.0559","0.0007","17.8662","0.0008","90","","113.191","0.001","90","","4283.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl N2 Pd Sb -","- C19 H28 Cl N2 Pd Sb -","- C152 H224 Cl8 N16 Pd8 Sb8 -","8","2","","Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor","Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11912","11920","10.1039/c9dt02340b","","","0.71073","MoKα","","0.1255","0.0575","","","0.0689","0.0852","","","","","","1.103","","","","has coordinates,has disorder","224371","2020-10-21","18:00:00",""
"7700420","9.202","0.0006","9.8519","0.0009","13.1757","0.0013","78.592","0.008","80.289","0.007","77.953","0.007","1134.93","0.17","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cu N4 S4 -","- C21 H22 Cu N4 S4 -","- C42 H44 Cu2 N8 S8 -","2","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Hanson, Graeme R.; Harmer, Jeffrey R.; Bernhardt, Paul V.","Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15501","15514","10.1039/c9dt02071c","","x-ray","1.54184","CuKα","","0.0567","0.0458","","","0.1106","0.1197","","","","","","1.033","","","","has coordinates","223893","2020-10-21","18:00:00",""
"7700421","17.3466","0.0005","12.2444","0.0004","6.9842","0.0003","90","","90","","90","","1483.44","0.09","190","2","190","2","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H12 Cu N4 O S4 -","- C9 H12 Cu N4 O S4 -","- C36 H48 Cu4 N16 O4 S16 -","4","0.5","","Bilyj, Jessica K.; Silajew, Nicole V.; Hanson, Graeme R.; Harmer, Jeffrey R.; Bernhardt, Paul V.","Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15501","15514","10.1039/c9dt02071c","","x-ray","1.5418","CuKα","","0.0503","0.0323","","","0.0674","0.0737","","","","","","1.044","","","","has coordinates","223893","2020-10-21","18:00:00",""
"7700422","7.5839","0.0007","8.7981","0.0006","11.6005","0.0009","106.962","0.006","107.126","0.007","90.272","0.006","704.04","0.11","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Cu N4 S4 -","- C9 H13 Cu N4 S4 -","- C18 H26 Cu2 N8 S8 -","2","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Hanson, Graeme R.; Harmer, Jeffrey R.; Bernhardt, Paul V.","Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15501","15514","10.1039/c9dt02071c","","x-ray","1.5418","CuKα","","0.0476","0.0413","","","0.106","0.1109","","","","","","1.099","","","","has coordinates","223893","2020-10-21","18:00:00",""
"7700423","31.3989","0.0008","9.4317","0.0002","15.6907","0.0004","90","","102.795","0.002","90","","4531.34","0.19","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N8 S8 -","- C42 H40 Cu2 N8 S8 -","- C168 H160 Cu8 N32 S32 -","4","0.5","","Bilyj, Jessica K.; Silajew, Nicole V.; Hanson, Graeme R.; Harmer, Jeffrey R.; Bernhardt, Paul V.","Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15501","15514","10.1039/c9dt02071c","","x-ray","1.54184","CuKα","","0.0402","0.0332","","","0.0834","0.0891","","","","","","1.036","","","","has coordinates","223893","2020-10-21","18:00:00",""
"7700424","11.0684","0.0004","11.8545","0.0004","22.1063","0.0008","95.654","0.003","92.389","0.003","99.975","0.003","2837.72","0.18","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 B Co N4 O6 -","- C64 H80 B Co N4 O6 -","- C128 H160 B2 Co2 N8 O12 -","2","1","","Tezgerevska, Tina; Rousset, Elodie; Gable, Robert W.; Jameson, Guy N. L.; Sañudo, E Carolina; Starikova, Alyona; Boskovic, Colette","Valence tautomerism and spin crossover in pyridinophane-cobalt-dioxolene complexes: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11674","11689","10.1039/c9dt02372k","","x-ray","1.54184","CuKα","","0.0421","0.0386","","","0.1014","0.1041","","","","","","1.045","","","","has coordinates","224359","2020-10-21","18:00:00",""
"7700425","10.9915","0.0002","13.6672","0.0004","19.4001","0.0006","99.531","0.003","94.045","0.002","93.356","0.002","2859.64","0.14","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 B Mn N4 O5 -","- C64 H80 B Mn N4 O5 -","- C128 H160 B2 Mn2 N8 O10 -","2","1","","Tezgerevska, Tina; Rousset, Elodie; Gable, Robert W.; Jameson, Guy N. L.; Sañudo, E Carolina; Starikova, Alyona; Boskovic, Colette","Valence tautomerism and spin crossover in pyridinophane-cobalt-dioxolene complexes: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11674","11689","10.1039/c9dt02372k","","x-ray","1.54184","CuKα","","0.0441","0.0368","","","0.0925","0.0975","","","","","","1.028","","","","has coordinates,has disorder","224359","2020-10-21","18:00:00",""
"7700426","20.52","0.004","13.19","0.003","22.39","0.005","90","","114.96","0.03","90","","5494","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 B Fe N4 O4 -","- C60 H76 B Fe N4 O4 -","- C240 H304 B4 Fe4 N16 O16 -","4","1","","Tezgerevska, Tina; Rousset, Elodie; Gable, Robert W.; Jameson, Guy N. L.; Sañudo, E Carolina; Starikova, Alyona; Boskovic, Colette","Valence tautomerism and spin crossover in pyridinophane-cobalt-dioxolene complexes: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11674","11689","10.1039/c9dt02372k","","","0.71073","Synchrotron","","0.0813","0.0688","","","0.201","0.2124","","","","","","1.044","","","","has coordinates,has disorder","224359","2020-10-21","18:00:00",""
"7700427","20.63","0.004","13.87","0.003","21.09","0.004","90","","113.24","0.03","90","","5545","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 B Co N4 O4 -","- C62 H76 B Co N4 O4 -","- C248 H304 B4 Co4 N16 O16 -","4","1","","Tezgerevska, Tina; Rousset, Elodie; Gable, Robert W.; Jameson, Guy N. L.; Sañudo, E Carolina; Starikova, Alyona; Boskovic, Colette","Valence tautomerism and spin crossover in pyridinophane-cobalt-dioxolene complexes: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11674","11689","10.1039/c9dt02372k","","","0.71073","Synchrotron","","0.0491","0.0398","","","0.1027","0.1081","","","","","","1.043","","","","has coordinates","224359","2020-10-21","18:00:00",""
"7700428","9.9671","0.0008","7.3143","0.0006","18.195","0.0016","90","","90.611","0.003","90","","1326.38","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O5 Sr -","- C11 H12 N2 O5 Sr -","- C44 H48 N8 O20 Sr4 -","4","1","","Leo, Pedro; Orcajo, Gisela; Briones, David; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Calleja, Guillermo; Martínez, Fernando","A double basic Sr-amino containing MOF as a highly stable heterogeneous catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11556","11564","10.1039/c9dt01061k","","","0.71073","MoKα","","0.0458","0.041","","","0.0919","0.0951","","","","","","1.273","","","","has coordinates,has disorder","224336","2020-10-21","18:00:00",""
"7700429","9.895","0.004","10.816","0.004","15.552","0.004","97.74","0.03","103.42","0.04","111.69","0.03","1458.9","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Bi4(OH)2(H2O)4(HTAzBz)2(TAzBz).7H2O","","","- C48 H44 Bi4 N6 O37 -","- C48 H20 Bi4 N6 O37 -","- C48 H20 Bi4 N6 O37 -","1","0.5","","Vilela, Sérgio M F; Devic, Thomas; Várez, Alejandro; Salles, Fabrice; Horcajada, Patricia","A new proton-conducting Bi-carboxylate framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11181","11185","10.1039/c9dt02009h","","","0.71073","MoKα","","0.127","0.0602","","","0.1257","0.1548","","","","","","1.037","","","","has coordinates","224344","2020-10-21","18:00:00",""
"7700430","9.4286","0.0005","17.9956","0.001","15.0794","0.0007","90","","92.7433","0.0018","90","","2555.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 I N O3 -","- C26 H40 I N O3 -","- C104 H160 I4 N4 O12 -","4","1","","Navarro-García, Encarnación; Velasco, María D; Zapata, Fabiola; Bauzá, Antonio; Frontera, Antonio; Ramírez de Arellano, Carmen; Caballero, Antonio","Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11813","11821","10.1039/c9dt02012h","","","0.71073","MoKα","","0.0728","0.0577","","","0.1503","0.1629","","","","","","1.056","","","","has coordinates,has disorder","224357","2020-10-21","18:00:00",""
"7700431","7.6514","0.001","11.1821","0.0014","11.2443","0.0014","90","","90","","90","","962","0.2","293","","293","","","","","","","","","4","P b c m","-P 2c 2b","57","","Rubidium scandium borohydride","","- B4 H16 Rb Sc -","- B4 H16 Rb Sc -","- B16 H64 Rb4 Sc4 -","4","0.5","","Starobrat, Agnieszka; Jaroń, Tomasz; Grochala, Wojciech","Two new derivatives of scandium borohydride, MSc(BH<sub>4</sub>)<sub>4</sub>, M = Rb, Cs, prepared via a one-pot solvent-mediated method.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11829","11837","10.1039/c9dt01967g","powder diffraction","x-ray","1.54187","CuKα","","0.0618","0.0229","","0.0356","0.0212","","","","0.05","","","","","","","has coordinates","224372","2020-10-21","18:00:00",""
"7700432","11.1268","0.0018","11.1268","0.0018","11.1268","0.0018","90","","90","","90","","1377.6","0.4","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs3 Sc -","- Cl6 Cs3 Sc -","- Cl24 Cs12 Sc4 -","4","0.0208333","","Starobrat, Agnieszka; Jaroń, Tomasz; Grochala, Wojciech","Two new derivatives of scandium borohydride, MSc(BH<sub>4</sub>)<sub>4</sub>, M = Rb, Cs, prepared via a one-pot solvent-mediated method.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11829","11837","10.1039/c9dt01967g","powder diffraction","x-ray","1.54187","CuKα","","0.0825","0.032","","0.0637","0.0241","","","","0.05","","","","","","","has coordinates","224372","2020-10-21","18:00:00",""
"7700433","10.6873","0.001","10.6873","0.001","10.6873","0.001","90","","90","","90","","1220.7","0.2","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl6 Rb3 Sc -","- Cl6 Rb3 Sc -","- Cl24 Rb12 Sc4 -","4","0.0208333","","Starobrat, Agnieszka; Jaroń, Tomasz; Grochala, Wojciech","Two new derivatives of scandium borohydride, MSc(BH<sub>4</sub>)<sub>4</sub>, M = Rb, Cs, prepared via a one-pot solvent-mediated method.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11829","11837","10.1039/c9dt01967g","powder diffraction","x-ray","1.54187","CuKα","","0.0934","0.0524","","0.0632","0.0551","","","","0.06","","","","","","","has coordinates","224372","2020-10-21","18:00:00",""
"7700434","9.587","0.002","10.727","0.003","12.228","0.003","90","","126.351","0.003","90","","1012.8","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CsSc(BH4)4","Cesium scandium borohydride","","- B4 Cs H16 Sc -","- B4 Cs H16 Sc -","- B16 Cs4 H64 Sc4 -","4","1","","Starobrat, Agnieszka; Jaroń, Tomasz; Grochala, Wojciech","Two new derivatives of scandium borohydride, MSc(BH<sub>4</sub>)<sub>4</sub>, M = Rb, Cs, prepared via a one-pot solvent-mediated method.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11829","11837","10.1039/c9dt01967g","powder diffraction","x-ray","1.54187","CuKα","","0.109","0.0472","","0.0781","0.0491","","","","0.05","","","","","","","has coordinates","224372","2020-10-21","18:00:00",""
"7700435","14.0236","0.0005","19.7055","0.0005","18.3538","0.0006","90","","99.857","0.001","90","","4997.1","0.3","115","","115","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H65 B Fe P2 -","- C60 H65 B Fe P2 -","- C240 H260 B4 Fe4 P8 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Fleurat-Lessard, Paul; Boudjelel, Maxime; Massou, Stéphane; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille","A sterically congested 1,2-diphosphino-1'-boryl-ferrocene: synthesis, characterization and coordination to platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11191","11195","10.1039/c9dt01921a","","x-ray","0.71073","MoKα","","0.0617","0.0465","","","0.0923","0.1008","","","","","","1.093","","","","has coordinates","224332","2020-10-21","18:00:00",""
"7700436","12.3692","0.0011","32.732","0.003","16.667","0.0014","90","","103.454","0.003","90","","6562.8","1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H67 B Cl4 Fe P2 Pt -","- C61 H67 B Cl4 Fe P2 Pt -","- C244 H268 B4 Cl16 Fe4 P8 Pt4 -","4","1","","Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Fleurat-Lessard, Paul; Boudjelel, Maxime; Massou, Stéphane; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille","A sterically congested 1,2-diphosphino-1'-boryl-ferrocene: synthesis, characterization and coordination to platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11191","11195","10.1039/c9dt01921a","","x-ray","0.71073","MoKα","","0.0573","0.0417","","","0.0847","0.0894","","","","","","1.027","","","","has coordinates","224332","2020-10-21","18:00:00",""
"7700437","13.507","0.003","13.606","0.003","14.263","0.003","85.71","0.03","82.74","0.03","89.27","0.03","2592.9","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H47 Br Cl6 Cu P3 S -","- C51 H47 Br Cl6 Cu P3 S -","- C102 H94 Br2 Cl12 Cu2 P6 S2 -","2","1","","Wei, Qiong; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Guang-Hua; Li, Fa-Bao; Alamry, Khalid A.; Zhao, Yi","From deep blue to green emitting and ultralong fluorescent copper(i) halide complexes containing dimethylthiophene diphosphine and PPh<sub>3</sub> ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11448","11459","10.1039/c9dt01548e","","","0.71073","MoKα","","0.076","0.057","","","0.1595","0.1725","","","","","","1.049","","","","has coordinates","224352","2020-10-21","18:00:00",""
"7700438","10.569","0.002","22.22","0.004","17.811","0.004","90","","95.19","0.03","90","","4165.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 Cl Cu P3 S -","- C48 H41 Cl Cu P3 S -","- C192 H164 Cl4 Cu4 P12 S4 -","4","1","","Wei, Qiong; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Guang-Hua; Li, Fa-Bao; Alamry, Khalid A.; Zhao, Yi","From deep blue to green emitting and ultralong fluorescent copper(i) halide complexes containing dimethylthiophene diphosphine and PPh<sub>3</sub> ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11448","11459","10.1039/c9dt01548e","","","0.71073","MoKα","","0.0499","0.0353","","","0.0815","0.0871","","","","","","1.04","","","","has coordinates","224352","2020-10-21","18:00:00",""
"7700439","13.619","0.003","13.693","0.003","14.331","0.003","85.22","0.03","82.56","0.03","89.3","0.03","2640.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H47 Cl6 Cu I P3 S -","- C51 H47 Cl6 Cu I P3 S -","- C102 H94 Cl12 Cu2 I2 P6 S2 -","2","1","","Wei, Qiong; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Guang-Hua; Li, Fa-Bao; Alamry, Khalid A.; Zhao, Yi","From deep blue to green emitting and ultralong fluorescent copper(i) halide complexes containing dimethylthiophene diphosphine and PPh<sub>3</sub> ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11448","11459","10.1039/c9dt01548e","","","0.71073","MoKα","","0.0583","0.0491","","","0.1316","0.1374","","","","","","1.036","","","","has coordinates","224352","2020-10-21","18:00:00",""
"7700440","13.8448","0.0005","11.0261","0.0002","20.054","0.0007","90","","108.061","0.004","90","","2910.49","0.17","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Au B Cl N6 O2 Se W -","- C26 H27 Au B Cl N6 O2 Se W -","- C104 H108 Au4 B4 Cl4 N24 O8 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","0.71073","MoKα","","0.0502","0.0356","","","0.0663","0.0729","","","","","","1.04","","","","has coordinates","224358","2020-10-21","18:00:00",""
"7700441","18.8253","0.0002","10.8166","0.0001","19.6913","0.0002","90","","104.441","0.001","90","","3882.97","0.07","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 Au B Cl N6 O2 Se W -","- C39 H37 Au B Cl N6 O2 Se W -","- C156 H148 Au4 B4 Cl4 N24 O8 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","1.54184","CuKα","","0.0575","0.0498","","","0.1413","0.1483","","","","","","1.04","","","","has coordinates","224358","2020-10-21","18:00:00",""
"7700442","18.9006","0.0003","10.8913","0.0002","19.9702","0.0003","90","","102.792","0.002","90","","4008.88","0.12","150","0.1","150","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Au B Cl Ge N6 O2 Se W -","- C38 H37 Au B Cl Ge N6 O2 Se W -","- C152 H148 Au4 B4 Cl4 Ge4 N24 O8 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","1.54184","CuKα","","0.047","0.0389","","","0.1048","0.1146","","","","","","1.051","","","","has coordinates","224358","2020-10-21","18:00:00",""
"7700443","33.8009","0.0006","8.1037","0.0001","21.5412","0.0003","90","","93.146","0.001","90","","5891.51","0.15","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H31 Au B Cl N6 O2 Se W -","- C24 H31 Au B Cl N6 O2 Se W -","- C192 H248 Au8 B8 Cl8 N48 O16 Se8 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","1.54184","CuKα","","0.0301","0.0279","","","0.0699","0.0713","","","","","","1.058","","","","has coordinates","224358","2020-10-21","18:00:00",""
"7700444","10.4581","0.0005","12.6675","0.0006","12.9896","0.0006","100.607","0.004","110.753","0.004","92.489","0.004","1570.6","0.14","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C43 H49 Au2 B2 Cl11 N12 O4 Se2 W2 -","- C43 H49 Au2 B2 Cl11 N12 O4 Se2 W2 -","- C43 H49 Au2 B2 Cl11 N12 O4 Se2 W2 -","1","0.5","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","0.71073","MoKα","","0.0395","0.0291","","","0.0586","0.0633","","","","","","1.033","","","","has coordinates,has disorder","224358","2020-10-21","18:00:00",""
"7700445","9.9498","0.0004","17.1859","0.001","20.7731","0.0008","105.918","0.004","90.589","0.003","91.467","0.004","3414.2","0.3","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C27.5 H30 Au B Cl2 N6 O2 Se W -","- C27.5 H30 Au B Cl2 N6 O2 Se W -","- C110 H120 Au4 B4 Cl8 N24 O8 Se4 W4 -","4","2","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","0.71073","MoKα","","0.0856","0.067","","","0.1448","0.1547","","","","","","1.115","","","","has coordinates","224358","2020-10-21","18:00:00",""
"7700446","19.3636","0.0009","11.7193","0.0004","19.6341","0.0009","90","","115.946","0.006","90","","4006.4","0.4","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Au B N6 O2 P Se W -","- C38 H38 Au B N6 O2 P Se W -","- C152 H152 Au4 B4 N24 O8 P4 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","1.54184","CuKα","","0.0807","0.0535","","","0.1346","0.1558","","","","","","1.022","","","","has coordinates","224358","2020-10-21","18:00:00",""
"7700447","18.8932","0.0003","10.8591","0.0002","19.9439","0.0003","90","","103.018","0.001","90","","3986.59","0.12","150","0.1","150","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Au B Cl N6 O2 Se Si W -","- C38 H37 Au B Cl N6 O2 Se Si W -","- C152 H148 Au4 B4 Cl4 N24 O8 Se4 Si4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.","Auriferous alkynylselenolatoalkylidynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11715","11723","10.1039/c9dt02314c","","","1.54184","CuKα","","0.0564","0.046","","","0.119","0.1303","","","","","","1.009","","","","has coordinates,has disorder","224358","2020-10-21","18:00:00",""
"7700448","4.1825","0.0005","23.824","0.002","9.9296","0.0009","90","","97.827","0.01","90","","980.21","0.17","152","2","152","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl N6 -","- C8 H7 Cl N6 -","- C32 H28 Cl4 N24 -","4","1","","Stetsiuk, Oleh; Petrusenko, Svitlana R.; Sorace, Lorenzo; Lupan, Alexandru; Attia, Amr A. A.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Versatile coordination behaviour of the chloro-tetrazine-picolylamine ligand: mixed-valence binuclear Cu(i)/Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11966","11977","10.1039/c9dt02379h","","","1.54184","CuKα","","0.0917","0.0774","","","0.2149","0.2537","","","","","","1.07","","","","has coordinates","224360","2020-10-21","18:00:00",""
"7700449","15.9292","0.0003","9.2115","0.0001","17.4056","0.0003","90","","101.765","0.002","90","","2500.3","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 Cl Cu F12 N6 O4 -","- C18 H9 Cl Cu F12 N6 O4 -","- C72 H36 Cl4 Cu4 F48 N24 O16 -","4","1","","Stetsiuk, Oleh; Petrusenko, Svitlana R.; Sorace, Lorenzo; Lupan, Alexandru; Attia, Amr A. A.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Versatile coordination behaviour of the chloro-tetrazine-picolylamine ligand: mixed-valence binuclear Cu(i)/Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11966","11977","10.1039/c9dt02379h","","","1.54184","CuKα","","0.0424","0.0388","","","0.1013","0.1044","","","","","","1.032","","","","has coordinates","224360","2020-10-21","18:00:00",""
"7700450","8.1726","0.0007","8.7426","0.0007","10.3892","0.0008","82.662","0.007","67.773","0.008","79.566","0.007","674.35","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl4 Cu N14 -","- C20 H20 Cl4 Cu N14 -","- C20 H20 Cl4 Cu N14 -","1","0.5","","Stetsiuk, Oleh; Petrusenko, Svitlana R.; Sorace, Lorenzo; Lupan, Alexandru; Attia, Amr A. A.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Versatile coordination behaviour of the chloro-tetrazine-picolylamine ligand: mixed-valence binuclear Cu(i)/Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11966","11977","10.1039/c9dt02379h","","","1.54184","CuKα","","0.0494","0.0466","","","0.1204","0.1236","","","","","","1.122","","","","has coordinates","224360","2020-10-21","18:00:00",""
"7700451","13.5525","0.0003","11.4392","0.0002","13.7445","0.0003","90","","104.474","0.002","90","","2063.18","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl3 Cu2 N12 -","- C16 H12 Cl3 Cu2 N12 -","- C64 H48 Cl12 Cu8 N48 -","4","1","","Stetsiuk, Oleh; Petrusenko, Svitlana R.; Sorace, Lorenzo; Lupan, Alexandru; Attia, Amr A. A.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Versatile coordination behaviour of the chloro-tetrazine-picolylamine ligand: mixed-valence binuclear Cu(i)/Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11966","11977","10.1039/c9dt02379h","","","1.54184","CuKα","","0.0323","0.0281","","","0.0776","0.0799","","","","","","1.039","","","","has coordinates","224360","2020-10-21","18:00:00",""
"7700452","15.3612","0.0004","10.9054","0.0003","15.4148","0.0005","90","","111.358","0.004","90","","2404.94","0.14","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 Cu2 F3 N12 O3 S -","- C17 H12 Cl2 Cu2 F3 N12 O3 S -","- C68 H48 Cl8 Cu8 F12 N48 O12 S4 -","4","1","","Stetsiuk, Oleh; Petrusenko, Svitlana R.; Sorace, Lorenzo; Lupan, Alexandru; Attia, Amr A. A.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Versatile coordination behaviour of the chloro-tetrazine-picolylamine ligand: mixed-valence binuclear Cu(i)/Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11966","11977","10.1039/c9dt02379h","","","1.54184","CuKα","","0.0628","0.0556","","","0.1469","0.1553","","","","","","1.052","","","","has coordinates,has disorder","224360","2020-10-21","18:00:00",""
"7700453","10.299","0.005","10.721","0.006","11.773","0.006","97.149","0.006","112.393","0.006","90.846","0.006","1189.8","1.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","1","0.5","","Zhu, Rong-Rong; Wang, Tao; Yan, Tong; Jia, Lei; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition reaction and luminescent sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions by a cadmium-based coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12159","12167","10.1039/c9dt01696a","","","0.71073","MoKα","","0.0355","0.0247","","","0.0521","0.0555","","","","","","1","","","","has coordinates,has disorder","223915","2020-10-21","18:00:00",""
"7700454","10.284","0.002","11.203","0.002","11.577","0.002","100.459","0.003","114.617","0.003","91.162","0.003","1185.6","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","1","0.5","","Zhu, Rong-Rong; Wang, Tao; Yan, Tong; Jia, Lei; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition reaction and luminescent sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions by a cadmium-based coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12159","12167","10.1039/c9dt01696a","","","0.71073","MoKα","","0.1042","0.0469","","","0.0708","0.0843","","","","","","0.923","","","","has coordinates,has disorder","223915","2020-10-21","18:00:00",""
"7700455","3.7719","0.0004","10.4109","0.001","14.7027","0.0019","105.675","0.01","95.669","0.009","98.072","0.008","544.69","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N20 O6 -","- C12 H20 N20 O6 -","- C12 H20 N20 O6 -","1","0.5","","Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun","Novel strategies for synthesizing energetic materials based on BTO with improved performances.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11848","11854","10.1039/c9dt02334h","","","1.54184","CuKα","","0.1324","0.1073","","","0.2296","0.2572","","","","","","1.055","","","","has coordinates","224375","2020-10-21","18:00:00",""
"7700456","3.7991","0.0001","12.3968","0.0004","19.5608","0.0006","90","","90.308","0.003","90","","921.24","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N12 O2 -","- C4 H6 N12 O2 -","- C16 H24 N48 O8 -","4","1","","Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun","Novel strategies for synthesizing energetic materials based on BTO with improved performances.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11848","11854","10.1039/c9dt02334h","","x-ray","1.54184","CuKα","","0.0487","0.0451","","","0.1197","0.1258","","","","","","1.06","","","","has coordinates","224375","2020-10-21","18:00:00",""
"7700457","7.2291","0.0007","9.866","0.0009","13.8595","0.0012","89.59","0.007","82.374","0.007","68.567","0.008","911.08","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N20 O4 -","- C10 H12 N20 O4 -","- C20 H24 N40 O8 -","2","1","","Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun","Novel strategies for synthesizing energetic materials based on BTO with improved performances.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11848","11854","10.1039/c9dt02334h","","","1.54184","CuKα","","0.1536","0.1475","","","0.3383","0.3408","","","","","","1.154","","","","has coordinates","224375","2020-10-21","18:00:00",""
"7700458","7.4215","0.0005","9.2025","0.0006","13.7986","0.0009","90","","98.745","0.002","90","","931.44","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 N11 O2 -","- C5 H6 N11 O2 -","- C20 H24 N44 O8 -","4","0.5","","Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun","Novel strategies for synthesizing energetic materials based on BTO with improved performances.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11848","11854","10.1039/c9dt02334h","","","0.71073","MoKα","","0.0623","0.0609","","","0.1995","0.2009","","","","","","1.123","","","","has coordinates","224375","2020-10-21","18:00:00",""
"7700459","7.3674","0.0007","6.5154","0.0006","20.4844","0.0018","90","","98.532","0.002","90","","972.4","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 N12 O2 -","- C3 H8 N12 O2 -","- C12 H32 N48 O8 -","4","1","","Zhang, Jinhao; Jin, Bo; Peng, Rufang; Niu, Chunhuan; Xiao, Lipengcheng; Guo, Zhicheng; Zhang, Qingchun","Novel strategies for synthesizing energetic materials based on BTO with improved performances.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11848","11854","10.1039/c9dt02334h","","","0.71073","MoKα","","0.0868","0.0503","","","0.1102","0.1233","","","","","","1.095","","","","has coordinates","224375","2020-10-21","18:00:00",""
"7700460","22.1184","0.0008","10.0442","0.0003","24.5438","0.0009","90","","105.602","0.002","90","","5251.8","0.3","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[(Chlorido)(1,3-dioxo-kO1-1,3-dihydro-2H-inden-2-ylidene)((2-(naphthalen-1-yl)methyl)amino)methanolato-kO2)](c6-p-cymene)ruthenium(II)","","- C31 H28 Cl N O3 Ru -","- C31 H28 Cl N O3 Ru -","- C248 H224 Cl8 N8 O24 Ru8 -","8","2","","Hager, Laura A.; Mokesch, Stephan; Kieler, Claudia; Alonso-de Castro, Silvia; Baier, Dina; Roller, Alexander; Kandioller, Wolfgang; Keppler, Bernhard K.; Berger, Walter; Salassa, Luca; Terenzi, Alessio","Ruthenium-arene complexes bearing naphthyl-substituted 1,3-dioxoindan-2-carboxamides ligands for G-quadruplex DNA recognition.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12040","12049","10.1039/c9dt02078k","","x-ray","0.71073","MoKα","","0.0519","0.0344","","","0.0733","0.081","","","","","","1.061","","","","has coordinates","223910","2020-10-21","18:00:00",""
"7700461","20.9813","0.0008","10.3997","0.0004","14.4831","0.0005","90","","117.8","0.001","90","","2795.46","0.18","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","[(Chlorido)(1,3-dioxo-kO1-1,3-dihydro-2H-inden-2-ylidene)((2-(naphthalen-1-yl)ethyl)amino)methanolato-kO2)](c6-p-cymene)ruthenium(II)","","- C32 H31.33 Cl N O3.67 Ru -","- C32 H31.3332 Cl N O3.6666 Ru -","- C128 H125.333 Cl4 N4 O14.6664 Ru4 -","4","1","","Hager, Laura A.; Mokesch, Stephan; Kieler, Claudia; Alonso-de Castro, Silvia; Baier, Dina; Roller, Alexander; Kandioller, Wolfgang; Keppler, Bernhard K.; Berger, Walter; Salassa, Luca; Terenzi, Alessio","Ruthenium-arene complexes bearing naphthyl-substituted 1,3-dioxoindan-2-carboxamides ligands for G-quadruplex DNA recognition.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12040","12049","10.1039/c9dt02078k","","x-ray","0.71073","MoKα","","0.0157","0.0155","","","0.0389","0.039","","","","","","1.065","","","","has coordinates,has disorder","223910","2020-10-21","18:00:00",""
"7700462","13.8315","0.001","15.1456","0.0007","16.7083","0.0011","90","","109.345","0.002","90","","3302.5","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(kN2-Pyridine)(1,3-dioxo-kO1-1,3-dihydro-2H-inden-2-ylidene)((2-(naphthalen-1-yl)methyl)amino)methanolato-kO2)](c6-p-cymene)ruthenium(II)","","- C36 H33 F6 N2 O3 P Ru -","- C36 H33 F6 N2 O3 P Ru -","- C144 H132 F24 N8 O12 P4 Ru4 -","4","1","","Hager, Laura A.; Mokesch, Stephan; Kieler, Claudia; Alonso-de Castro, Silvia; Baier, Dina; Roller, Alexander; Kandioller, Wolfgang; Keppler, Bernhard K.; Berger, Walter; Salassa, Luca; Terenzi, Alessio","Ruthenium-arene complexes bearing naphthyl-substituted 1,3-dioxoindan-2-carboxamides ligands for G-quadruplex DNA recognition.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12040","12049","10.1039/c9dt02078k","","x-ray","0.71073","MoKα","","0.0759","0.0474","","","0.1083","0.124","","","","","","1.053","","","","has coordinates","223910","2020-10-21","18:00:00",""
"7700463","8.764","0.002","14.599","0.005","23.079","0.008","90","","91.124","0.015","90","","2952.3","1.6","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl Dy N3 O12 Zn -","- C26 H29 Cl Dy N3 O12 Zn -","- C104 H116 Cl4 Dy4 N12 O48 Zn4 -","4","1","","Boulkedid, Ahlem-Linda; Beghidja, Adel; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia; Long, Jérôme","Synthesis, structure and magnetic properties of a series of dinuclear heteroleptic Zn<sup>2+</sup>/Ln<sup>3+</sup> Schiff base complexes: effect of lanthanide ions on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11637","11641","10.1039/c9dt02228g","","","0.71073","MoKα","","0.0414","0.0297","","","0.0769","0.083","","","","","","1.02","","","","has coordinates,has disorder","224369","2020-10-21","18:00:00",""
"7700464","8.7916","0.0005","14.7051","0.0007","22.9881","0.0013","90","","90.723","0.002","90","","2971.7","0.3","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl Er N3 O12 Zn -","- C26 H29 Cl Er N3 O12 Zn -","- C104 H116 Cl4 Er4 N12 O48 Zn4 -","4","1","","Boulkedid, Ahlem-Linda; Beghidja, Adel; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia; Long, Jérôme","Synthesis, structure and magnetic properties of a series of dinuclear heteroleptic Zn<sup>2+</sup>/Ln<sup>3+</sup> Schiff base complexes: effect of lanthanide ions on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11637","11641","10.1039/c9dt02228g","","","0.71073","MoKα","","0.0777","0.0583","","","0.153","0.1663","","","","","","1.03","","","","has coordinates,has disorder","224369","2020-10-21","18:00:00",""
"7700465","8.7869","0.0002","14.7296","0.0003","23.0656","0.0004","90","","90.595","0.001","90","","2985.16","0.1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl N3 O12 Tb Zn -","- C26 H29 Cl N3 O12 Tb Zn -","- C104 H116 Cl4 N12 O48 Tb4 Zn4 -","4","1","","Boulkedid, Ahlem-Linda; Beghidja, Adel; Beghidja, Chahrazed; Guari, Yannick; Larionova, Joulia; Long, Jérôme","Synthesis, structure and magnetic properties of a series of dinuclear heteroleptic Zn<sup>2+</sup>/Ln<sup>3+</sup> Schiff base complexes: effect of lanthanide ions on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11637","11641","10.1039/c9dt02228g","","","0.71073","MoKα","","0.0395","0.0298","","","0.0717","0.0766","","","","","","1.093","","","","has coordinates,has disorder","224369","2020-10-21","18:00:00",""
"7700466","9.8219","0.0005","14.8289","0.0008","15.3393","0.0008","68.6189","0.0017","80.0462","0.0018","73.9409","0.0017","1992.71","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","XbicH4","9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dihydroxy-benzaldimine)","","- C45 H56 N2 O5 -","- C45 H56 N2 O5 -","- C90 H112 N4 O10 -","2","1","","Do, Thomas H.; Brown, Seth N.","Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11565","11574","10.1039/c9dt02475a","","","0.71073","MoKα","","0.0896","0.0503","","","0.1164","0.1349","","","","","","1.025","","","","has coordinates","224340","2020-10-21","18:00:00",""
"7700467","16.104","0.002","19.806","0.003","17.777","0.002","90","","94.068","0.002","90","","5655.8","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(THF)Na[(Xbic)SiPh] . 2 THF","(Tetrahydrofuran)sodium(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldimine)(phenyl)silicate) bis(tetrahydrofuran) solvate","","- C63 H81 N2 Na O8 Si -","- C63 H81 N2 Na O8 Si -","- C252 H324 N8 Na4 O32 Si4 -","4","1","","Do, Thomas H.; Brown, Seth N.","Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11565","11574","10.1039/c9dt02475a","","","0.71073","MoKα","","0.0876","0.0588","","","0.144","0.1616","","","","","","1.042","","","","has coordinates","224340","2020-10-21","18:00:00",""
"7700468","16.0349","0.0009","19.6695","0.0012","17.5883","0.0011","90","","93.404","0.002","90","","5537.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(THF)Li[(Xbic)SiPh] . 2 THF","(Tetrahydrofuran)lithium((9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldimine)(phenyl)silicate) bis(tetrahydrofuran) solvate","","- C63 H81 Li N2 O8 Si -","- C63 H81 Li N2 O8 Si -","- C252 H324 Li4 N8 O32 Si4 -","4","1","","Do, Thomas H.; Brown, Seth N.","Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11565","11574","10.1039/c9dt02475a","","","0.71073","MoKα","","0.0887","0.0617","","","0.1625","0.1826","","","","","","1.021","","","","has coordinates,has disorder","224340","2020-10-21","18:00:00",""
"7700469","16.3173","0.0008","17.8374","0.0008","21.3223","0.0011","89.6599","0.0017","81.8824","0.0017","84.0998","0.0016","6111.1","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[(XbicH2)SiPh][HCl2] . 3 CHCl3","(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldiminium)-(phenyl)silicon(IV) bichloride tri-chloroform solvate","","- C54 H63 Cl11 N2 O5 Si -","- C53 H62 Cl8 N2 O5 Si -","- C212 H248 Cl32 N8 O20 Si4 -","4","2","","Do, Thomas H.; Brown, Seth N.","Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11565","11574","10.1039/c9dt02475a","","","0.71073","MoKα","","0.0706","0.0538","","","0.1347","0.1459","","","","","","1.02","","","","has coordinates,has disorder","224340","2020-10-21","18:00:00",""
"7700470","15.9942","0.0018","19.485","0.002","17.562","0.002","90","","92.0777","0.0016","90","","5469.5","1","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Ag[(Xbic)SiPh] . 3 CD2Cl2","Silver((9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldimine)(phenyl)silicate) tris(deuteriodichloromethane) solvate","","- C54 H57 Ag Cl6 D6 N2 O5 Si -","- C54 H57 Ag Cl6 D6 N2 O5 Si -","- C216 H228 Ag4 Cl24 D24 N8 O20 Si4 -","4","1","","Do, Thomas H.; Brown, Seth N.","Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11565","11574","10.1039/c9dt02475a","","","0.71073","MoKα","","0.0674","0.0603","","","0.1702","0.1773","","","","","","1.116","","","","has coordinates,has disorder","224340","2020-10-21","18:00:00",""
"7700471","9.6733","0.0004","15.46","0.0008","12.487","0.0005","90","","103.385","0.004","90","","1816.7","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N2 P Se -","- C21 H17 N2 P Se -","- C84 H68 N8 P4 Se4 -","4","1","","Das, Suman; Karmakar, Himadri; Bhattacharjee, Jayeeta; Panda, Tarun K.","Aluminium complex as an efficient catalyst for the chemo-selective reduction of amides to amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11978","11984","10.1039/c9dt01806a","","","0.71073","MoKα","","0.0963","0.0485","","","0.0957","0.1175","","","","","","1.028","","","","has coordinates","224366","2020-10-21","18:00:00",""
"7700472","9.8019","0.0013","10.1178","0.0013","13.545","0.0019","89.947","0.011","83.892","0.011","81.113","0.011","1319.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Al N2 O P Se -","- C27 H30 Al N2 O P Se -","- C54 H60 Al2 N4 O2 P2 Se2 -","2","1","","Das, Suman; Karmakar, Himadri; Bhattacharjee, Jayeeta; Panda, Tarun K.","Aluminium complex as an efficient catalyst for the chemo-selective reduction of amides to amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11978","11984","10.1039/c9dt01806a","","","0.71073","MoKα","","0.1274","0.0729","","","0.1764","0.2092","","","","","","1.047","","","","has coordinates","224366","2020-10-21","18:00:00",""
"7700473","9.6363","0.0004","15.4223","0.0006","12.3931","0.0004","90","","104.016","0.004","90","","1786.95","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N2 P S -","- C21 H17 N2 P S -","- C84 H68 N8 P4 S4 -","4","1","","Das, Suman; Karmakar, Himadri; Bhattacharjee, Jayeeta; Panda, Tarun K.","Aluminium complex as an efficient catalyst for the chemo-selective reduction of amides to amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11978","11984","10.1039/c9dt01806a","","","0.71073","MoKα","","0.101","0.055","","","0.1066","0.137","","","","","","1.064","","","","has coordinates","224366","2020-10-21","18:00:00",""
"7700474","10.803","0.0003","16.603","0.0005","20.3682","0.0006","87.6054","0.0007","88.2701","0.0007","87.3777","0.0007","3644.81","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 F6 N P3 Ru -","- C39 H36 F6 N P3 Ru -","- C156 H144 F24 N4 P12 Ru4 -","4","2","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","0.71073","MoKα","","0.0702","0.0556","","","0.1174","0.1264","","","","","","1.1","","","","has coordinates,has disorder","224368","2020-10-21","18:00:00",""
"7700475","7.6879","0.0002","5.9905","0.0001","15.1858","0.0004","90","","93.2052","0.0008","90","","698.28","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 F5 N4 -","- C15 H9 F5 N4 -","- C30 H18 F10 N8 -","2","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","1.54178","CuKα","","0.0253","0.0248","","","0.0641","0.0648","","","","","","1.053","","","","has coordinates","224368","2020-10-21","18:00:00",""
"7700476","9.2404","0.0003","30.656","0.0011","11.7644","0.0005","90","","90","","90","","3332.5","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H36 N4 P2 Ru -","- C39 H36 N4 P2 Ru -","- C156 H144 N16 P8 Ru4 -","4","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","0.71073","MoKα","","0.0383","0.0298","","","0.0584","0.0636","","","","","","1.052","","","","has coordinates","224368","2020-10-21","18:00:00",""
"7700477","20.9469","0.0005","19.2948","0.0004","22.1464","0.0005","90","","90","","90","","8950.8","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H38 F11 N4 P3 Ru -","- C46 H38 F11 N4 P3 Ru -","- C368 H304 F88 N32 P24 Ru8 -","8","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","0.71073","MoKα","","0.06","0.0395","","","0.087","0.1008","","","","","","1.054","","","","has coordinates,has disorder","224368","2020-10-21","18:00:00",""
"7700478","10.5765","0.0002","20.0279","0.0004","22.2569","0.0005","90","","93.6313","0.0007","90","","4705.1","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cl2 F6 N5 P3 Ru -","- C48 H44 Cl2 F6 N5 P3 Ru -","- C192 H176 Cl8 F24 N20 P12 Ru4 -","4","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","0.71073","MoKα","","0.0656","0.0446","","","0.089","0.0988","","","","","","1.049","","","","has coordinates,has disorder","224368","2020-10-21","18:00:00",""
"7700479","10.032","0.007","14.426","0.01","12.576","0.009","90","","100.732","0.008","90","","1788","2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N3 O Pd -","- C20 H18 Cl N3 O Pd -","- C80 H72 Cl4 N12 O4 Pd4 -","4","1","","You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao","Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12219","12227","10.1039/c9dt02361e","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","223922","2020-10-21","18:00:00",""
"7700480","9.18","0.003","9.941","0.003","11.212","0.004","90","","102.531","0.003","90","","998.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl N3 Ni O -","- C24 H18 Cl N3 Ni O -","- C48 H36 Cl2 N6 Ni2 O2 -","2","1","","You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao","Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12219","12227","10.1039/c9dt02361e","","","0.71073","MoKα","","0.0221","0.0207","","","0.0496","0.0504","","","","","","1.043","","","","has coordinates","223922","2020-10-21","18:00:00",""
"7700481","10.9254","0.001","16.9935","0.0015","28.235","0.003","90","","90","","90","","5242.1","0.9","","","","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H23 Cl N2 O3 Pd S -","- C27 H21 Cl N2 O3 Pd S -","- C216 H168 Cl8 N16 O24 Pd8 S8 -","8","1","","You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao","Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12219","12227","10.1039/c9dt02361e","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","223922","2020-10-21","18:00:00",""
"7700482","9.8859","0.0017","10.6665","0.0019","11.563","0.002","86.062","0.004","72.464","0.004","89.848","0.004","1159.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 B F4 Ir N2 -","- C23 H28 B F4 Ir N2 -","- C46 H56 B2 F8 Ir2 N4 -","2","1","","Sobottka, Sebastian; van der Meer, Margarethe Behr; Glais, Estelle; Albold, Uta; Suhr, Simon; Su, Cheng-Yong; Sarkar, Biprajit","A coordinatively unsaturated iridium complex with an unsymmetrical redox-active ligand: (spectro)electrochemical and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13931","13942","10.1039/c9dt01597c","","","0.71073","MoKα","","0.0575","0.0418","","","0.0998","0.1089","","","","","","1.073","","","","has coordinates,has disorder","223849","2020-10-21","18:00:00",""
"7700483","10.4919","0.0003","11.4836","0.0004","15.7162","0.0006","90","","90.245","0.002","90","","1893.55","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Ir N2 -","- C22 H25 Ir N2 -","- C88 H100 Ir4 N8 -","4","1","","Sobottka, Sebastian; van der Meer, Margarethe Behr; Glais, Estelle; Albold, Uta; Suhr, Simon; Su, Cheng-Yong; Sarkar, Biprajit","A coordinatively unsaturated iridium complex with an unsymmetrical redox-active ligand: (spectro)electrochemical and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13931","13942","10.1039/c9dt01597c","","","0.71073","MoKα","","0.0316","0.0229","","","0.0411","0.0432","","","","","","1.053","","","","has coordinates","223849","2020-10-21","18:00:00",""
"7700484","14.743","0.008","11.872","0.005","28.358","0.015","90","","96.077","0.015","90","","4936","4","189","2","189","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl F3 Ir N2 O3 S -","- C23 H25 Cl F3 Ir N2 O3 S -","- C184 H200 Cl8 F24 Ir8 N16 O24 S8 -","8","2","","Sobottka, Sebastian; van der Meer, Margarethe Behr; Glais, Estelle; Albold, Uta; Suhr, Simon; Su, Cheng-Yong; Sarkar, Biprajit","A coordinatively unsaturated iridium complex with an unsymmetrical redox-active ligand: (spectro)electrochemical and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13931","13942","10.1039/c9dt01597c","","","0.71073","MoKα","","0.0335","0.022","","","0.0358","0.038","","","","","","1.234","","","","has coordinates","223849","2020-10-21","18:00:00",""
"7700485","6.6112","0.0008","10.1529","0.0014","12.4664","0.0013","109.035","0.004","103.733","0.003","100.448","0.004","737.27","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Co N3 O5 -","- C15 H14 Co N3 O5 -","- C30 H28 Co2 N6 O10 -","2","1","","Ma, Deyun; Peng, Guo; Zhang, Ying-Ying; Li, Bo","Field-induced slow magnetic relaxation in two-dimensional and three-dimensional Co(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15529","15536","10.1039/c9dt02070e","","","0.71073","MoKα","","0.0668","0.0522","","","0.1225","0.1461","","","","","","1.074","","","","has coordinates","223892","2020-10-21","18:00:00",""
"7700486","7.888","0.002","16","0.004","19.431","0.005","90","","101.073","0.008","90","","2406.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Co N6 O6 -","- C26 H21 Co N6 O6 -","- C104 H84 Co4 N24 O24 -","4","1","","Ma, Deyun; Peng, Guo; Zhang, Ying-Ying; Li, Bo","Field-induced slow magnetic relaxation in two-dimensional and three-dimensional Co(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15529","15536","10.1039/c9dt02070e","","","0.71073","MoKα","","0.0823","0.0557","","","0.1298","0.1493","","","","","","1.008","","","","has coordinates","223892","2020-10-21","18:00:00",""
"7700487","12.4432","0.0003","14.6561","0.0004","19.1005","0.0013","90","","90","","90","","3483.3","0.3","293","","293","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H29 Br2 Fe N4 O6 S -","- C39 H29 Br2 Fe N4 O6 S -","- C156 H116 Br8 Fe4 N16 O24 S4 -","4","1","","Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Abrupt spin crossover in iron(iii) complexes with aromatic anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15515","15520","10.1039/c9dt02373a","","x-ray","1.54178","CuKα","","0.099","0.0773","","","0.2002","0.2198","","","","","","1.098","","","","has coordinates","223899","2020-10-21","18:00:00",""
"7700488","12.3433","0.0008","14.3546","0.0008","19.2425","0.0014","90","","90","","90","","3409.4","0.4","123","","123","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H29 Br2 Fe N4 O6 S -","- C39 H29 Br2 Fe N4 O6 S -","- C156 H116 Br8 Fe4 N16 O24 S4 -","4","1","","Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Abrupt spin crossover in iron(iii) complexes with aromatic anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15515","15520","10.1039/c9dt02373a","","","1.54178","CuKα","","0.115","0.0859","","","0.1901","0.2225","","","","","","1.092","","","","has coordinates","223899","2020-10-21","18:00:00",""
"7700489","12.7045","0.0003","14.1173","0.0003","20.3416","0.0014","90","","90","","90","","3648.3","0.3","103","","103","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C39 H31 Fe I2 N4 O7 S -","- C39 H31 Fe I2 N4 O7 S -","- C156 H124 Fe4 I8 N16 O28 S4 -","4","1","","Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J.","Abrupt spin crossover in iron(iii) complexes with aromatic anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15515","15520","10.1039/c9dt02373a","","","1.54178","CuKα","","0.0765","0.0622","","","0.1363","0.1516","","","","","","1.057","","","","has coordinates","223899","2020-10-21","18:00:00",""
"7700490","5.9994","0.0012","29.661","0.006","19.068","0.004","90","","90.09","","90","","3393.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N7 O12 Zn1.5 -","- C24 H24 N4 O9 Zn1.5 -","- C96 H96 N16 O36 Zn6 -","4","1","","Liu, Yanhong; Ma, Ju; Wu, Pengyan; Zheng, Jia-Jia; Tian, Xueqin; Jiang, Min; He, Yumei; Dong, Han; Wang, Jian","A nanoporous metal-organic framework as a renewable size-selective hydrogen-bonding catalyst in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11855","11861","10.1039/c9dt01763a","","","0.71073","MoKα","","0.1747","0.0637","","","0.1152","0.1262","","","","","","1.003","","","","has coordinates","224370","2020-10-21","18:00:00",""
"7700491","14.6842","0.0008","28.1889","0.0016","21.6554","0.0012","90","","106.563","0.001","90","","8591.9","0.8","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91 H91 Ag2 F6 N5 O7 P4 S2 -","- C91 H91 Ag2 F6 N5 O7 P4 S2 -","- C364 H364 Ag8 F24 N20 O28 P16 S8 -","4","1","","Zhang, Sihan; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Ohshita, Joji","Bis(diphenylphosphinyl)-functionalized dipyrido-annulated NHC towards copper(i) and silver(i).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12250","12256","10.1039/c9dt02435b","","","0.71073","MoKα","","0.0592","0.0441","","","0.1127","0.1233","","","","","","1.025","","","","has coordinates,has disorder","223923","2020-10-21","18:00:00",""
"7700492","13.0789","0.0017","20.41","0.003","34.694","0.005","90","","92.526","0.002","90","","9252","2","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C97 H106 Cl0 Cu2 F6 N5 O8.5 P4 S2 -","- C97 H106 Cu2 F6 N5 O8.5 P4 S2 -","- C388 H424 Cu8 F24 N20 O34 P16 S8 -","4","1","","Zhang, Sihan; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Ohshita, Joji","Bis(diphenylphosphinyl)-functionalized dipyrido-annulated NHC towards copper(i) and silver(i).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12250","12256","10.1039/c9dt02435b","","","0.71073","MoKα","","0.0592","0.0444","","","0.1143","0.1242","","","","","","1.021","","","","has coordinates,has disorder","223923","2020-10-21","18:00:00",""
"7700493","9.3808","0.0006","25.6046","0.0017","18.5364","0.0012","90","","97.09","0.001","90","","4418.2","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H84 Br8 Cu8 N4 P4 -","- C86 H84 Br8 Cu8 N4 P4 -","- C172 H168 Br16 Cu16 N8 P8 -","2","0.5","","Zhang, Sihan; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Ohshita, Joji","Bis(diphenylphosphinyl)-functionalized dipyrido-annulated NHC towards copper(i) and silver(i).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12250","12256","10.1039/c9dt02435b","","","0.71073","MoKα","","0.0692","0.0558","","","0.1596","0.1696","","","","","","1.026","","","","has coordinates","223923","2020-10-21","18:00:00",""
"7700494","29.878","0.002","13.1902","0.001","28.148","0.002","90","","117.06","0.001","90","","9878.7","1.2","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C94 H98 Br3 Cu5 F6 N6 O8 P4 S2 -","- C94 H98 Br3 Cu5 F6 N6 O8 P4 S2 -","- C376 H392 Br12 Cu20 F24 N24 O32 P16 S8 -","4","1","","Zhang, Sihan; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Ohshita, Joji","Bis(diphenylphosphinyl)-functionalized dipyrido-annulated NHC towards copper(i) and silver(i).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12250","12256","10.1039/c9dt02435b","","","0.71073","MoKα","","0.1122","0.0795","","","0.2091","0.2276","","","","","","1.093","","","","has coordinates","223923","2020-10-21","18:00:00",""
"7700495","9.9777","0.0005","7.6944","0.0004","12.0138","0.0006","90","","92.813","0.002","90","","921.22","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Mo N O2 -","- C23 H17 Mo N O2 -","- C46 H34 Mo2 N2 O4 -","2","1","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0181","0.0172","","","0.0445","0.0451","","","","","","1.091","","","","has coordinates,has disorder","223912","2020-10-21","18:00:00",""
"7700496","28.4483","0.0016","8.0338","0.0004","21.5649","0.0011","90","","123.377","0.002","90","","4115.7","0.4","120","2","120","2","","","","","","","synthesized by the authors","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 B F4 N O2 W -","- C23 H18 B F4 N O2 W -","- C184 H144 B8 F32 N8 O16 W8 -","8","1","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0647","0.0556","","","0.1279","0.1322","","","","","","1.148","","","","has coordinates,has disorder","223912","2020-10-21","18:00:00",""
"7700497","9.9642","0.0005","7.6797","0.0004","12.0078","0.0005","90","","92.657","0.001","90","","917.87","0.08","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C23 H17 N O2 W -","- C23 H17 N O2 W -","- C46 H34 N2 O4 W2 -","2","1","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0179","0.0173","","","0.043","0.0435","","","","","","1.086","","","","has coordinates,has disorder","223912","2020-10-21","18:00:00",""
"7700498","14.5014","0.0007","11.0265","0.0006","14.7195","0.0007","90","","106.503","0.002","90","","2256.7","0.2","120","2","120","2","","","","","","","synthesized by the authors","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 B2 Cl2 F8 Mo2 N2 O4 S2 -","- C45 H38 B2 Cl2 F8 Mo2 N2 O4 S2 -","- C90 H76 B4 Cl4 F16 Mo4 N4 O8 S4 -","2","0.5","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0333","0.0267","","","0.0637","0.0674","","","","","","1.044","","","","has coordinates","223912","2020-10-21","18:00:00",""
"7700499","12.2756","0.0005","27.6227","0.0011","15.3654","0.0006","90","","90.256","0.001","90","","5210.1","0.4","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21 1","P 2yb","4","","","","- C24 H18 B F4 N3 O2 W -","- C24 H18 B F4 N3 O2 W -","- C192 H144 B8 F32 N24 O16 W8 -","8","4","","Mrózek, Ondřej; Dostál, Libor; Císařová, Ivana; Honzíček, Jan; Vinklárek, Jaromír","Propene complexes of molybdenum and tungsten stabilized by intramolecular coordination of the 1-(quinol-8-yl)indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12210","12218","10.1039/c9dt02229e","","","0.71073","MoKα","","0.0427","0.0373","","","0.092","0.0943","","","","","","1.029","","","","has coordinates","223912","2020-10-21","18:00:00",""
"7700500","7.9708","0.0002","13.7985","0.0004","14.68","0.0004","96.452","0.002","103.366","0.002","100.715","0.002","1522.94","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N6 Ni O16 -","- C28 H24 N6 Ni O16 -","- C56 H48 N12 Ni2 O32 -","2","1","","Titiš, Ján; Chrenková, Veronika; Rajnák, Cyril; Moncol, Ján; Valigura, Dušan; Boča, Roman","Exceptionally slow magnetic relaxation in a mononuclear hexacoordinate Ni(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11647","11650","10.1039/c9dt02159k","","","1.54186","CuKα","","0.0316","0.0308","","","0.0799","0.0805","","","","","","1.052","","","","has coordinates","224367","2020-10-21","18:00:00",""
"7700501","10.292","0.005","12.325","0.003","15.431","0.005","73.437","0.005","71.084","0.003","67.319","0.005","1679.5","1.1","152","","152","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H84 B4 F10 Fe2 N8 O18 -","- C56 H84 B4 F10 Fe2 N8 O18 -","- C56 H84 B4 F10 Fe2 N8 O18 -","1","0.5","","Woodhouse, Sidney S.; De Silva, D Nirosha T; Jameson, Geoffrey B.; Cutler, Daniel J.; Sanz, Sergio; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","New salicylaldoximato-borate ligands resulting from anion hydrolysis and their respective copper and iron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11872","11881","10.1039/c9dt01968e","","","1.54187","CuKα","","0.055","0.0493","","","0.1255","0.1403","","","","","","1.087","","","","has coordinates,has disorder","224361","2020-10-21","18:00:00",""
"7700502","10.0416","0.0013","10.2816","0.0014","13.683","0.0015","104.67","0.007","95.931","0.007","110.168","0.008","1254.2","0.3","103","","103","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H64 B2 Cl2 Cu2 F4 N4 O10 -","- C48 H64 B2 Cl2 Cu2 F4 N4 O10 -","- C48 H64 B2 Cl2 Cu2 F4 N4 O10 -","1","0.5","","Woodhouse, Sidney S.; De Silva, D Nirosha T; Jameson, Geoffrey B.; Cutler, Daniel J.; Sanz, Sergio; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","New salicylaldoximato-borate ligands resulting from anion hydrolysis and their respective copper and iron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11872","11881","10.1039/c9dt01968e","","","1.54187","CuKα","","0.2426","0.0838","","","0.162","0.232","","","","","","0.835","","","","has coordinates","224361","2020-10-21","18:00:00",""
"7700503","15.408","0.005","19.133","0.005","30.848","0.005","90","","90","","90","","9094","4","143","","143","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C76 H90 B3 F8 Fe3 N12 O14 -","- C76 H90 B3 F8 Fe3 N12 O14 -","- C304 H360 B12 F32 Fe12 N48 O56 -","4","0.5","","Woodhouse, Sidney S.; De Silva, D Nirosha T; Jameson, Geoffrey B.; Cutler, Daniel J.; Sanz, Sergio; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","New salicylaldoximato-borate ligands resulting from anion hydrolysis and their respective copper and iron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11872","11881","10.1039/c9dt01968e","","","1.54187","CuKα","","0.1025","0.0861","","","0.2471","0.2674","","","","","","1.08","","","","has coordinates,has disorder","224361","2020-10-21","18:00:00",""
"7700504","11.5039","0.0011","11.9145","0.001","14.6279","0.0013","74.687","0.004","68.753","0.004","87.232","0.004","1799.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H80 Cl6 Mo2 N24 O37 -","- C36 H72 Cl6 Mo2 N24 O37 -","- C36 H72 Cl6 Mo2 N24 O37 -","1","0.5","","Nogueira, Lucie S.; Antunes, Margarida M.; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Lopes, André D; Valente, Anabela A.; Gonçalves, Isabel S","A hydrogen-bonded assembly of cucurbit[6]uril and [MoO<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] with catalytic efficacy for the one-pot conversion of olefins to alkoxy products.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11508","11519","10.1039/c9dt02127b","","","0.71073","MoKα","","0.0326","0.0283","","","0.0732","0.0755","","","","","","1.048","","","","has coordinates,has disorder","224338","2020-10-21","18:00:00",""
"7700505","11.9469","0.0009","15.2398","0.0011","15.5352","0.0012","111.573","0.002","97.145","0.003","95.552","0.003","2578.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 Co2 F6 N8 O6 -","- C49 H54 Co2 F6 N8 O6 -","- C98 H108 Co4 F12 N16 O12 -","2","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71073","MoKα","","0.13","0.0834","","","0.1959","0.24","","","","","","0.973","","","","has coordinates","223926","2020-10-21","18:00:00",""
"7700506","12.5748","0.0007","15.9583","0.001","17.0631","0.0012","62.939","0.007","80.725","0.005","75.961","0.005","2953","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H68 Cl4 Co2 N8 O6 -","- C61 H68 Cl4 Co2 N8 O6 -","- C122 H136 Cl8 Co4 N16 O12 -","2","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71073","MoKα","","0.0727","0.051","","","0.1419","0.1643","","","","","","0.754","","","","has coordinates","223926","2020-10-21","18:00:00",""
"7700507","10.7521","0.0004","11.9322","0.0006","14.3164","0.0007","106.321","0.002","97.244","0.002","106.744","0.002","1644.59","0.14","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C59 H64 Cl Co2 N8 O10 -","- C59 H64 Cl Co2 N8 O10 -","- C59 H64 Cl Co2 N8 O10 -","1","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71073","MoKα","","0.0396","0.033","","","0.0883","0.0938","","","","","","0.774","","","","has coordinates","223926","2020-10-21","18:00:00",""
"7700508","11.5855","0.0006","18.1113","0.0008","18.4431","0.0009","75.961","0.002","80.041","0.002","71.644","0.002","3543.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H86 Co2 F6 N8 O9 -","- C73 H86 Co2 F6 N8 O9 -","- C146 H172 Co4 F12 N16 O18 -","2","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71073","MoKα","","0.0669","0.0452","","","0.1082","0.1209","","","","","","1.005","","","","has coordinates","223926","2020-10-21","18:00:00",""
"7700509","12.7268","0.0004","15.9231","0.0006","16.6055","0.0005","107.835","0.003","102.906","0.003","105.922","0.003","2901.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H68 Co2 N8 O8 -","- C61 H68 Co2 N8 O8 -","- C122 H136 Co4 N16 O16 -","2","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71073","MoKα","","0.0726","0.0541","","","0.134","0.1445","","","","","","1.027","","","","has coordinates","223926","2020-10-21","18:00:00",""
"7700510","13.7628","0.0007","14.476","0.0007","17.2399","0.0008","106.91","0.002","108.275","0.002","104.721","0.002","2886.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Co2 F10 N8 O6 -","- C59 H54 Co2 F10 N8 O6 -","- C118 H108 Co4 F20 N16 O12 -","2","1","","Su, Yu-Chia; Tsai, Chen-Yen; Huang, Li-Shin; Lin, Chia-Her; Ko, Bao-Tsan","Synthesis and characterization of di-nuclear bis(benzotriazole iminophenolate) cobalt complexes: catalysis for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12239","12249","10.1039/c9dt02174d","","","0.71076","MoKα","","0.0607","0.0524","","","0.1408","0.148","","","","","","1.205","","","","has coordinates,has disorder","223926","2020-10-21","18:00:00",""
"7700511","9.7535","0.0001","14.4803","0.0002","15.2219","0.0002","87.278","0.001","72.003","0.001","71.395","0.001","1934.69","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H94 Eu2 N10 O29 -","- C70 H94 Eu2 N10 O29 -","- C70 H94 Eu2 N10 O29 -","1","0.5","","Ma, Jing-Jing; Liu, Wei-Sheng","Effective luminescence sensing of Fe<sup>3+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup>, MnO<sub>4</sub><sup>-</sup> and 4-nitrophenol by lanthanide metal-organic frameworks with a new topology type.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12287","12295","10.1039/c9dt01907c","","","1.54184","CuKα","","0.0434","0.0426","","","0.1163","0.1171","","","","","","1.09","","","","has coordinates,has disorder","223924","2020-10-21","18:00:00",""
"7700512","9.7094","0.0019","13.539","0.003","22.976","0.006","90","","108.62","0.03","90","","2862.2","1.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 I6 N2 O4 Re Te2 -","- C12 H13 I6 N2 O4 Re Te2 -","- C48 H52 I24 N8 O16 Re4 Te8 -","4","1","","Wolf, Silke; Feldmann, Claus","Ionic-liquid-based synthesis of tellurium-rhenium carbonyls with specific reaction control.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15521","15528","10.1039/c9dt01897b","","","0.71073","MoKα","","0.0411","0.0324","","","0.093","0.096","","","","","","0.956","","","","has coordinates,has disorder","223889","2020-10-21","18:00:00",""
"7700513","16.348","0.003","17.287","0.003","13.863","0.003","90","","108.09","0.03","90","","3724.1","1.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 Al Cl4 I2 O5 Re Te -","- C5 Al Cl4 I2 O5 Re Te -","- C40 Al8 Cl32 I16 O40 Re8 Te8 -","8","2","","Wolf, Silke; Feldmann, Claus","Ionic-liquid-based synthesis of tellurium-rhenium carbonyls with specific reaction control.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15521","15528","10.1039/c9dt01897b","","","0.71073","MoKα","","0.1454","0.0485","","","0.0798","0.0964","","","","","","0.728","","","","has coordinates","223889","2020-10-21","18:00:00",""
"7700514","8.538","0.0017","9.961","0.002","13.229","0.003","84.28","0.03","72.82","0.03","85.97","0.03","1068.5","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 I7 O3 Re Te3 -","- C3 I7 O3 Re Te3 -","- C6 I14 O6 Re2 Te6 -","2","1","","Wolf, Silke; Feldmann, Claus","Ionic-liquid-based synthesis of tellurium-rhenium carbonyls with specific reaction control.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15521","15528","10.1039/c9dt01897b","","","0.71073","MoKα","","0.0915","0.0332","","","0.0469","0.0548","","","","","","0.705","","","","has coordinates","223889","2020-10-21","18:00:00",""
"7700515","11.521","0.002","11.93","0.002","19.255","0.004","74.76","0.03","73.29","0.03","64.64","0.03","2260.5","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 N2 O18 Re5 Te6 -","- C26 H15 N2 O18 Re5 Te6 -","- C52 H30 N4 O36 Re10 Te12 -","2","1","","Wolf, Silke; Feldmann, Claus","Ionic-liquid-based synthesis of tellurium-rhenium carbonyls with specific reaction control.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15521","15528","10.1039/c9dt01897b","","","0.71073","MoKα","","0.117","0.0382","","","0.0552","0.0678","","","","","","0.731","","","","has coordinates","223889","2020-10-21","18:00:00",""
"7700516","17.507","0.002","21.925","0.003","7.0181","0.0009","90","","103.348","0.012","90","","2621.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Mn N10 O6 -","- C26 H24 Mn N10 O6 -","- C104 H96 Mn4 N40 O24 -","4","0.5","","Uchida, Kaiji; Cosquer, Goulven; Sugisaki, Kenji; Matsuoka, Hideto; Sato, Kazunobu; Breedlove, Brian K.; Yamashita, Masahiro","Isostructural M(ii) complexes (M = Mn, Fe, Co) with field-induced slow magnetic relaxation for Mn and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12023","12030","10.1039/c8dt02150c","","","0.71073","MoKα","","0.1232","0.073","","","0.1783","0.2047","","","","","","1.022","","","","has coordinates","223913","2020-10-21","18:00:00",""
"7700517","17.4762","0.0009","21.7676","0.0011","7.0315","0.0004","90","","103.085","0.005","90","","2605.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Fe N10 O6 -","- C26 H24 Fe N10 O6 -","- C104 H96 Fe4 N40 O24 -","4","0.5","","Uchida, Kaiji; Cosquer, Goulven; Sugisaki, Kenji; Matsuoka, Hideto; Sato, Kazunobu; Breedlove, Brian K.; Yamashita, Masahiro","Isostructural M(ii) complexes (M = Mn, Fe, Co) with field-induced slow magnetic relaxation for Mn and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12023","12030","10.1039/c8dt02150c","","","0.710747","MoKα","","0.0435","0.0358","","","0.093","0.0969","","","","","","1.035","","","","has coordinates","223913","2020-10-21","18:00:00",""
"7700518","17.574","0.0012","21.7514","0.0013","7.0063","0.0005","90","","103.552","0.007","90","","2603.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Co N10 O6 -","- C26 H24 Co N10 O6 -","- C104 H96 Co4 N40 O24 -","4","0.5","","Uchida, Kaiji; Cosquer, Goulven; Sugisaki, Kenji; Matsuoka, Hideto; Sato, Kazunobu; Breedlove, Brian K.; Yamashita, Masahiro","Isostructural M(ii) complexes (M = Mn, Fe, Co) with field-induced slow magnetic relaxation for Mn and Co complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12023","12030","10.1039/c8dt02150c","","","0.710747","MoKα","","0.0568","0.0426","","","0.1114","0.1193","","","","","","1.052","","","","has coordinates","223913","2020-10-21","18:00:00",""
"7700519","13.329","0.003","14.959","0.003","17.757","0.004","90","","90","","90","","3540.5","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","0.71073","MoKα","","0.058","0.0501","","","0.1258","0.1323","","","","","","1.067","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700520","12.6916","0.0001","9.1977","0.0001","22.4558","0.0002","90","","96.804","0.001","90","","2602.88","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B N3 O -","- C27 H36 B N3 O -","- C108 H144 B4 N12 O4 -","4","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.0468","0.0445","","","0.1148","0.1166","","","","","","1.048","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700521","9.9426","0.0001","20.1639","0.0003","24.4987","0.0003","90","","90","","90","","4911.54","0.11","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H72 B N5 O2 Si -","- C53 H72 B N5 O2 Si -","- C212 H288 B4 N20 O8 Si4 -","4","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.0506","0.0485","","","0.1254","0.1269","","","","","","1.049","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700522","12.254","0.0001","13.3406","0.0001","23.4566","0.0001","76.314","0.001","81.468","0.001","66.84","0.001","3418.88","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H101 B2 N10 Si -","- C71 H101 B2 N10 Si -","- C142 H202 B4 N20 Si2 -","2","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.0458","0.0428","","","0.1117","0.1143","","","","","","1.024","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700523","20.045","0.0005","12.0661","0.0002","29.3699","0.0006","90","","90","","90","","7103.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H56 B N5 Si -","- C36 H56 B N5 Si -","- C288 H448 B8 N40 Si8 -","8","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.088","0.077","","","0.2045","0.2121","","","","","","1.12","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700524","12.6357","0.0002","20.6176","0.0003","14.6141","0.0003","90","","99.935","0.002","90","","3750.14","0.11","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B N5 O Si -","- C36 H58 B N5 O Si -","- C144 H232 B4 N20 O4 Si4 -","4","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.0832","0.0686","","","0.2001","0.2249","","","","","","1.046","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700525","19.7295","0.0015","12.4632","0.0009","19.9618","0.0015","90","","96.766","0.004","90","","4874.3","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B N5 O Si -","- C52 H74 B N5 O Si -","- C208 H296 B4 N20 O4 Si4 -","4","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","0.71073","MoKα","","0.241","0.1066","","","0.249","0.3216","","","","","","1.028","","","","has coordinates,has disorder","224362","2020-10-21","18:00:00",""
"7700526","12.776","0.003","20.405","0.004","21.92","0.004","114.35","0.03","91.65","0.03","93.08","0.03","5190","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H79 B N5 Si -","- C55 H79 B N5 Si -","- C220 H316 B4 N20 Si4 -","4","2","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","0.7109","Synchrotron","","0.0702","0.0612","","","0.1633","0.1724","","","","","","1.047","","","","has coordinates,has disorder","224362","2020-10-21","18:00:00",""
"7700527","18.559","0.0009","18.559","0.0009","52.256","0.003","90","","90","","120","","15587.5","1.4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H108 Bi9 Ir6 K3 N6 O24 -","- C60 H108 Bi9 Ir6 K3 N6 O24 -","- C360 H648 Bi54 Ir36 K18 N36 O144 -","6","0.166667","","Li, Zhenyu; Liu, Caiping; Wu, Jie; Lin, Zian; Xu, Li","[(η<sup>3</sup>-Bi<sub>3</sub>)<sub>2</sub>(IrCO)<sub>6</sub>(μ<sub>4</sub>-Bi)<sub>3</sub>]<sup>3-</sup>: a new archetype of a 15-vertex deltahedral hybrid from Bi<sub>x</sub><sup>x-</sup>-coordination aggregation of cationic [IrCO]<sup>+</sup> units.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12013","12017","10.1039/c9dt02559f","","","0.71073","MoKα","","0.0533","0.0493","","","0.139","0.1414","","","","","","1.085","","","","has coordinates,has disorder","223911","2020-10-21","18:00:00",""
"7700528","22.5919","0.0001","22.5919","0.0001","22.5919","0.0001","90","","90","","90","","11530.8","0.09","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C228 H254 N28 O81 Zn16 -","- C228 H253.998 N28 O80.9988 Zn16 -","- C456 H507.997 N56 O161.998 Zn32 -","2","0.0833333","","Meng, Huan-Huan; Wang, Cai-Yun; Xi, Wei; Song, Xue-Qin; Wang, Li","A cationic tetrahedral Zn(ii) cluster based on a new salicylamide imine multidentate ligand: synthesis, structure and fluorescence sensing study.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12326","12335","10.1039/c9dt01376h","","","1.54178","CuKα","","0.0408","0.0325","","","0.0846","0.0915","","","","","","1.03","","","","has coordinates","223920","2020-10-21","18:00:00",""
"7700529","10.0001","0.0003","29.9868","0.0008","10.9105","0.0003","90","","96.102","0.003","90","","3253.21","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2a in manuscript","","","- C38 H13 B F15 O P S -","- C38 H13 B F15 O P S -","- C152 H52 B4 F60 O4 P4 S4 -","4","1","","Regulska, Elzbieta; Christ, Sonja; Zimmermann, Johannes; Rominger, Frank; Hernandez-Sosa, Gerardo; Romero-Nieto, Carlos","Organophosphorus-B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> adducts: towards new solid-state emitting materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12803","12807","10.1039/c9dt02258a","","","1.54178","CuKα","","0.072","0.0582","","","0.106","0.1118","","","","","","1.213","","","","has coordinates,has disorder","224512","2020-10-21","18:00:00",""
"7700530","9.9754","0.0015","30.114","0.003","10.9427","0.0016","90","","95.823","0.012","90","","3270.2","0.8","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","2b in manuscript","","","- C39 H16 B F15 N O P -","- C39 H16 B F15 N O P -","- C156 H64 B4 F60 N4 O4 P4 -","4","2","","Regulska, Elzbieta; Christ, Sonja; Zimmermann, Johannes; Rominger, Frank; Hernandez-Sosa, Gerardo; Romero-Nieto, Carlos","Organophosphorus-B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> adducts: towards new solid-state emitting materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12803","12807","10.1039/c9dt02258a","","","1.54178","CuKα","","0.0401","0.0357","","","0.0906","0.0945","","","","","","1.04","","","","has coordinates,has disorder","224512","2020-10-21","18:00:00",""
"7700531","11.287","0.003","14.463","0.004","23.598","0.007","90","","100.111","0.004","90","","3792.4","1.8","305","","305","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.1517","0.095","","","0.1769","0.2006","","","","","","1.157","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700532","11.253","0.003","14.404","0.004","23.546","0.007","90","","100.391","0.005","90","","3753.9","1.8","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.133","0.0934","","","0.1998","0.2205","","","","","","1.17","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700533","11.2123","0.0003","14.3203","0.0003","23.4772","0.0005","90","","100.762","0.002","90","","3703.28","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0609","0.046","","","0.1034","0.1115","","","","","","1.035","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700534","11.272","0.003","14.442","0.004","23.582","0.007","90","","100.156","0.003","90","","3778.8","1.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.1563","0.1007","","","0.1977","0.2224","","","","","","1.183","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700535","11.1996","0.0002","14.2837","0.0003","23.4641","0.0005","90","","100.955","0.002","90","","3685.19","0.13","95","","95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0582","0.0454","","","0.1007","0.1076","","","","","","1.029","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700536","11.2451","0.0005","14.3771","0.0006","23.5363","0.0011","90","","100.481","0.004","90","","3741.7","0.3","225","","225","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.07","0.0474","","","0.1005","0.1124","","","","","","1.015","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700537","11.1938","0.0003","14.307","0.0005","23.459","0.0007","90","","100.819","0.003","90","","3690.2","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0585","0.0472","","","0.1148","0.1221","","","","","","1.023","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700538","11.206","0.0002","14.3033","0.0003","23.4697","0.0005","90","","100.85","0.002","90","","3694.54","0.13","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.061","0.0457","","","0.1004","0.1091","","","","","","1.034","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700539","11.2305","0.0003","14.36","0.0004","23.5036","0.0006","90","","100.564","0.002","90","","3726.18","0.17","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0649","0.0476","","","0.1068","0.1169","","","","","","1.043","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700540","11.269","0.003","14.435","0.004","23.58","0.006","90","","100.22","0.003","90","","3774.9","1.7","288","","288","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.1484","0.0922","","","0.1791","0.2037","","","","","","1.151","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700541","11.2226","0.0003","14.3422","0.0003","23.4933","0.0006","90","","100.659","0.002","90","","3716.16","0.16","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0652","0.0487","","","0.111","0.1209","","","","","","1.039","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700542","11.2445","0.0003","14.4064","0.0004","23.5274","0.0006","90","","100.33","0.007","90","","3749.49","0.19","270","","270","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0618","0.0521","","","0.1085","0.1119","","","","","","1.208","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700543","11.1847","0.0002","14.2589","0.0003","23.4445","0.0004","90","","101.159","0.007","90","","3668.28","0.15","30","","30","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0534","0.0516","","","0.1221","0.1228","","","","","","1.33","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700544","11.2544","0.0003","14.4276","0.0004","23.5451","0.0006","90","","100.203","0.007","90","","3762.65","0.19","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0652","0.0532","","","0.1116","0.1157","","","","","","1.205","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700545","11.199","0.0002","14.2937","0.0003","23.4589","0.0004","90","","100.966","0.007","90","","3686.62","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au1.9999 N2 S20 -","- C96 H48 Au7.9996 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0523","0.049","","","0.1146","0.1159","","","","","","1.309","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700546","11.2105","0.0002","14.3252","0.0003","23.4734","0.0005","90","","100.788","0.007","90","","3703.03","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0539","0.0493","","","0.1071","0.1088","","","","","","1.295","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700547","11.2618","0.0003","14.4409","0.0004","23.5505","0.0006","90","","100.163","0.007","90","","3769.94","0.19","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0807","0.0637","","","0.1286","0.135","","","","","","1.163","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700548","11.2355","0.0002","14.3863","0.0003","23.5127","0.0005","90","","100.448","0.007","90","","3737.52","0.15","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0591","0.0513","","","0.1086","0.1113","","","","","","1.244","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700549","11.2193","0.0002","14.3461","0.0003","23.4863","0.0004","90","","100.676","0.007","90","","3714.76","0.15","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0552","0.0497","","","0.1075","0.1094","","","","","","1.296","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700550","11.2273","0.0002","14.3666","0.0003","23.4999","0.0005","90","","100.563","0.007","90","","3726.26","0.15","210","","210","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au1.9999 N2 S20 -","- C96 H48 Au7.9996 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0565","0.0497","","","0.1077","0.1101","","","","","","1.266","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700551","11.1857","0.0002","14.2553","0.0003","23.4488","0.0004","90","","101.144","0.007","90","","3668.54","0.15","30","","30","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au1.9999 N2 S20 -","- C96 H48 Au7.9996 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.35219","synchrotron","","0.0528","0.0512","","","0.1192","0.1198","","","","","","1.343","","","","has coordinates","224517","2020-10-21","18:00:00",""
"7700552","11.27","0.002","14.443","0.003","23.561","0.005","90","","100.176","0.003","90","","3774.8","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0516","0.0434","","","0.0993","0.105","","","","","","1.057","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700553","11.186","0.004","14.295","0.005","23.49","0.009","90","","101.019","0.004","90","","3687","2","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0786","0.0619","","","0.1293","0.1394","","","","","","1.094","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700554","11.247","0.0003","14.3967","0.0003","23.5319","0.0005","90","","100.323","0.002","90","","3748.6","0.15","260","","260","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0496","0.0374","","","0.0801","0.0858","","","","","","1.045","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700555","11.255","0.003","14.422","0.004","23.544","0.006","90","","100.265","0.004","90","","3760.5","1.7","275","","275","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.095","0.0699","","","0.1417","0.1566","","","","","","1.134","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700556","11.206","0.005","14.321","0.006","23.452","0.01","90","","100.99","0.006","90","","3695","3","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0772","0.0605","","","0.1219","0.1309","","","","","","1.092","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700557","11.2396","0.0003","14.3805","0.0003","23.5196","0.0005","90","","100.412","0.002","90","","3738.9","0.15","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0473","0.0362","","","0.0755","0.0807","","","","","","1.035","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700558","11.224","0.003","14.366","0.004","23.531","0.007","90","","100.582","0.003","90","","3729.7","1.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0696","0.0596","","","0.123","0.1288","","","","","","1.148","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700559","11.236","0.004","14.386","0.005","23.509","0.008","90","","100.431","0.004","90","","3737","2","225","","225","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0934","0.0677","","","0.1422","0.1589","","","","","","1.083","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700560","11.223","0.003","14.34","0.004","23.504","0.007","90","","100.713","0.004","90","","3716.8","1.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0684","0.0596","","","0.1213","0.1262","","","","","","1.13","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700561","11.1908","0.0017","14.265","0.002","23.468","0.004","90","","101.148","0.004","90","","3675.7","1","50","","50","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0346","0.0323","","","0.0784","0.0799","","","","","","1.112","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700562","11.263","0.0003","14.4291","0.0003","23.5623","0.0005","90","","100.166","0.002","90","","3769.11","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.057","0.0407","","","0.0863","0.094","","","","","","1.033","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700563","11.1886","0.0017","14.266","0.002","23.468","0.004","90","","101.137","0.004","90","","3675.3","1","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPY[Au(dmit)2]2","","- C24 H12 Au2 N2 S20 -","- C24 H12 Au2 N2 S20 -","- C96 H48 Au8 N8 S80 -","4","1","","Naito, Toshio; Watanabe, Naoki; Sakamoto, Yuuka; Miyaji, Yuuko; Shirahata, Takashi; Misaki, Yohji; Kitou, Shunsuke; Sawa, Hiroshi","A molecular crystal with an unprecedentedly long-lived photoexcited state.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12858","12866","10.1039/c9dt02377a","","","0.71075","MoKα","","0.0337","0.0325","","","0.0846","0.0856","","","","","","1.115","","","","has coordinates,has disorder","224517","2020-10-21","18:00:00",""
"7700564","7.601","0.005","23.571","0.005","11.823","0.005","90","","100.41","0.005","90","","2083.4","1.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 Cu2 N6 O2 -","- C17 H15 Cl3 Cu2 N6 O2 -","- C68 H60 Cl12 Cu8 N24 O8 -","4","1","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Kou, Hui-Zhong; Pombeiro, Armando J. L.","Cu(ii) complexes of N-rich aroylhydrazone: magnetism and catalytic activity towards microwave-assisted oxidation of xylenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12839","12849","10.1039/c9dt02196e","","","0.71073","MoKα","","0.0335","0.0272","","","0.0649","0.0675","","","","","","1.091","","","","has coordinates","224524","2020-10-21","18:00:00",""
"7700565","10.6328","0.0005","23.5926","0.0011","11.5359","0.0006","90","","99.735","0.002","90","","2852.2","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cu3 N11 O19 -","- C16 H17 Cu3 N11 O19 -","- C64 H68 Cu12 N44 O76 -","4","1","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Kou, Hui-Zhong; Pombeiro, Armando J. L.","Cu(ii) complexes of N-rich aroylhydrazone: magnetism and catalytic activity towards microwave-assisted oxidation of xylenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12839","12849","10.1039/c9dt02196e","","","0.71073","MoKα","","0.026","0.0215","","","0.0514","0.0533","","","","","","1.056","","","","has coordinates","224524","2020-10-21","18:00:00",""
"7700566","18.152","0.002","12.223","0.002","18.826","0.003","90","","90.086","0.004","90","","4177","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cl12 Cu8 N20 O4 -","- C68 H48 Cl12 Cu8 N20 O4 -","- C136 H96 Cl24 Cu16 N40 O8 -","2","0.5","","Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Kou, Hui-Zhong; Pombeiro, Armando J. L.","Cu(ii) complexes of N-rich aroylhydrazone: magnetism and catalytic activity towards microwave-assisted oxidation of xylenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12839","12849","10.1039/c9dt02196e","","","0.71073","MoKα","","0.1194","0.0943","","","0.2278","0.2433","","","","","","1.068","","","","has coordinates","224524","2020-10-21","18:00:00",""
"7700567","15.7688","0.0017","15.4878","0.0016","26.5","0.003","90","","99.1594","0.0017","90","","6389.4","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H86 Cr2 N14 O -","- C65 H86 Cr2 N14 O -","- C260 H344 Cr8 N56 O4 -","4","1","","Labrum, Nicholas S.; Caulton, Kenneth G.","[Cr(pincer<sup>2-</sup>)]<sub>2</sub> as an electron shuttle for reductively promoted hydrazine disproportionation.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11642","11646","10.1039/c9dt02300c","","","0.41328","synchrotron","","0.1326","0.0854","","0.2568","0.2161","0.2567","","","","","","1.0097","","","","has coordinates","224373","2020-10-21","18:00:00",""
"7700568","10.0772","0.0004","18.7181","0.0007","15.9632","0.0006","90","","91.653","0.001","90","","3009.8","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Al N2 O -","- C13 H21 Al N2 O -","- C104 H168 Al8 N16 O8 -","8","2","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0588","0.042","","","0.0982","0.1092","","","","","","1.008","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700569","7.2328","0.0003","21.793","0.001","9.96","0.0005","90","","106.2","0.001","90","","1507.6","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Al N2 O -","- C16 H19 Al N2 O -","- C64 H76 Al4 N8 O4 -","4","1","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0522","0.042","","","0.1172","0.1253","","","","","","1.036","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700570","9.3482","0.0003","9.3936","0.0003","14.7919","0.0005","96.842","0.001","98.715","0.001","109.823","0.001","1187.37","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 Al N4 O2 -","- C23 H33 Al N4 O2 -","- C46 H66 Al2 N8 O4 -","2","1","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0412","0.037","","","0.101","0.1047","","","","","","1.054","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700571","7.2633","0.0004","9.151","0.0005","12.0875","0.0007","92.424","0.002","95.554","0.002","95.322","0.002","795.13","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Al N2 O2 -","- C16 H19 Al N2 O2 -","- C32 H38 Al2 N4 O4 -","2","1","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0461","0.043","","","0.1141","0.117","","","","","","1.083","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700572","10.5229","0.0007","20.9439","0.0013","13.8001","0.0009","90","","108.341","0.002","90","","2886.9","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Al N2 O -","- C15 H17 Al N2 O -","- C120 H136 Al8 N16 O8 -","8","2","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0594","0.047","","","0.1159","0.1257","","","","","","1.014","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700573","11.0638","0.0005","7.7724","0.0003","18.4728","0.0008","90","","106.359","0.001","90","","1524.21","0.11","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Al N2 O -","- C16 H19 Al N2 O -","- C64 H76 Al4 N8 O4 -","4","2","","Qin, Lu; Zhang, Yue; Chao, Jianbin; Cheng, Jianhua; Chen, Xia","Four- and five-coordinate aluminum complexes supported by N,O-bidentate β-pyrazylenolate ligands: synthesis, structure and application in ROP of ε-caprolactone and lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12315","12325","10.1039/c9dt02330e","","","0.71073","MoKα","","0.0311","0.0289","","","0.0827","0.085","","","","","","1.012","","","","has coordinates","223927","2020-10-21","18:00:00",""
"7700574","18.4951","0.0017","21.577","0.002","10.5804","0.001","90","","90","","90","","4222.3","0.7","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C38 H58 N5 O Si2 Y -","- C38 H58 N5 O Si2 Y -","- C152 H232 N20 O4 Si8 Y4 -","4","0.5","","Wang, Fenhua; Zhao, Xu; Meng, Xianfu; Wang, Shaowu","Rare-earth complexes supported by an ansa-bis(amidinate) ligand with a rigid o-phenylene linker: synthesis, structure, and catalytic activity for polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12193","12198","10.1039/c9dt00365g","","","0.71073","MoKα","","0.0832","0.0469","","","0.1059","0.1236","","","","","","1.02","","","","has coordinates,has disorder","223928","2020-10-21","18:00:00",""
"7700575","12.998","0.0005","19.4421","0.0007","33.1588","0.001","90","","112.149","0.001","90","","7761.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H96 N12 Nd2 -","- C84 H96 N12 Nd2 -","- C336 H384 N48 Nd8 -","4","1","","Wang, Fenhua; Zhao, Xu; Meng, Xianfu; Wang, Shaowu","Rare-earth complexes supported by an ansa-bis(amidinate) ligand with a rigid o-phenylene linker: synthesis, structure, and catalytic activity for polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12193","12198","10.1039/c9dt00365g","","","0.71073","MoKα","","0.0801","0.0535","","","0.1301","0.1452","","","","","","1.029","","","","has coordinates","223928","2020-10-21","18:00:00",""
"7700576","18.498","0.0012","21.5082","0.0017","10.6134","0.0007","90","","90","","90","","4222.6","0.5","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C38 H58 Er N5 O Si2 -","- C38 H58 Er N5 O Si2 -","- C152 H232 Er4 N20 O4 Si8 -","4","0.5","","Wang, Fenhua; Zhao, Xu; Meng, Xianfu; Wang, Shaowu","Rare-earth complexes supported by an ansa-bis(amidinate) ligand with a rigid o-phenylene linker: synthesis, structure, and catalytic activity for polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12193","12198","10.1039/c9dt00365g","","","0.71073","MoKα","","0.0278","0.0218","","","0.049","0.0511","","","","","","1.016","","","","has coordinates,has disorder","223928","2020-10-21","18:00:00",""
"7700577","13.0485","0.0012","19.6899","0.0018","31.006","0.003","90","","91.509","0.001","90","","7963.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H96 La2 N12 -","- C84 H96 La2 N12 -","- C336 H384 La8 N48 -","4","1","","Wang, Fenhua; Zhao, Xu; Meng, Xianfu; Wang, Shaowu","Rare-earth complexes supported by an ansa-bis(amidinate) ligand with a rigid o-phenylene linker: synthesis, structure, and catalytic activity for polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12193","12198","10.1039/c9dt00365g","","","0.71073","MoKα","","0.0874","0.0583","","","0.125","0.1382","","","","","","1.095","","","","has coordinates","223928","2020-10-21","18:00:00",""
"7700578","8.0227","0.0016","17.867","0.004","10.601","0.002","90","","109.214","0.002","90","","1434.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H25 F12 N5 O P2 Ru -","- C23 H25 F12 N5 O P2 Ru -","- C46 H50 F24 N10 O2 P4 Ru2 -","2","0.5","","Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko","Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13154","13161","10.1039/c9dt02734c","","","0.71073","MoKa","","0.0234","0.0223","","","0.0571","0.0578","","","","","","1.059","","","","has coordinates,has disorder","224489","2020-10-21","18:00:00",""
"7700579","13.4843","0.0011","17.0634","0.0013","12.1072","0.0012","90","","103.683","0.009","90","","2706.7","0.4","90","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl2 N5 O9 Ru -","- C25 H21 Cl2 N5 O9 Ru -","- C100 H84 Cl8 N20 O36 Ru4 -","4","1","","Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko","Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13154","13161","10.1039/c9dt02734c","","","1.54184","CuKa","","0.1223","0.0789","","","0.2045","0.2319","","","","","","0.965","","","","has coordinates,has disorder","224489","2020-10-21","18:00:00",""
"7700580","10.004","0.004","21.409","0.01","13.216","0.006","90","","91.529","0.006","90","","2830","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F12 N5 O P2 Ru -","- C23 H23 F12 N5 O P2 Ru -","- C92 H92 F48 N20 O4 P8 Ru4 -","4","1","","Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko","Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13154","13161","10.1039/c9dt02734c","","","0.71073","MoKa","","0.1104","0.0749","","","0.2176","0.2419","","","","","","1.016","","","","has coordinates","224489","2020-10-21","18:00:00",""
"7700581","39.2947","0.0014","30.2573","0.0006","27.7045","0.001","90","","122.85","0.002","90","","27672.1","1.6","180","2","180.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- Cl2 H224 K13 Li12 Mn12 Na O312 P8 W52 -","- Cl2 K13 Li4 Mn10 Na O270 P8 W52 -","- Cl8 K52 Li16 Mn40 Na4 O1080 P32 W208 -","4","0.5","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Kostakis, George E.; Anson, Christopher E.","Synthesis, structure and electrochemical characterization of an isopolytungstate (W<sub>4</sub>O<sub>16</sub>) held by Mn<sup>II</sup> anchors within a superlacunary crown heteropolyanion {P<sub>8</sub>W<sub>48</sub>}.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15545","15552","10.1039/c9dt02478f","","","0.71069","MoKα","","0.0779","0.0452","","","0.1004","0.1081","","","","","","0.885","","","","has coordinates,has disorder","223895","2020-10-21","18:00:00",""
"7700582","8.2079","0.0001","11.8247","0.0002","15.7728","0.0002","90.977","0.001","96.6","0.001","106.418","0.002","1456.72","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H70 Cl2 Mn2 N8 O13 -","- C62 H70 Cl2 Mn2 N8 O13 -","- C62 H70 Cl2 Mn2 N8 O13 -","1","0.5","","Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.","Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15560","15566","10.1039/c9dt02476j","","","0.71073","MoKα","","0.0492","0.0365","","","0.0834","0.091","","","","","","1.051","","","","has coordinates,has disorder","223894","2020-10-21","18:00:00",""
"7700583","7.89419","0.00004","24.6143","0.0001","14.02753","0.00006","90","","92.253","0.0004","90","","2723.58","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Mn N5 O5 -","- C30 H32 Mn N5 O5 -","- C120 H128 Mn4 N20 O20 -","4","1","","Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.","Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15560","15566","10.1039/c9dt02476j","","","1.54184","CuKα","","0.0272","0.0261","","","0.0724","0.0734","","","","","","1.081","","","","has coordinates","223894","2020-10-21","18:00:00",""
"7700584","8.186","0.0001","11.7372","0.0002","15.762","0.0002","90.9985","0.0009","96.455","0.001","106.15","0.001","1443.56","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H70 B2 F8 Mn2 N8 O5 -","- C62 H70 B2 F8 Mn2 N8 O5 -","- C62 H70 B2 F8 Mn2 N8 O5 -","1","0.5","","Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.","Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15560","15566","10.1039/c9dt02476j","","","1.54184","CuKα","","0.032","0.0299","","","0.079","0.0805","","","","","","1.061","","","","has coordinates,has disorder","223894","2020-10-21","18:00:00",""
"7700585","7.49091","0.00006","12.7773","0.0001","14.7289","0.0001","90","","90","","90","","1409.76","0.018","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H32 Cl Mn N4 O6 -","- C30 H32 Cl Mn N4 O6 -","- C60 H64 Cl2 Mn2 N8 O12 -","2","0.5","","Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.","Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15560","15566","10.1039/c9dt02476j","","","1.54184","CuKα","","0.0242","0.023","","","0.06","0.061","","","","","","1.075","","","","has coordinates","223894","2020-10-21","18:00:00",""
"7700586","8.2729","0.0003","15.2825","0.0006","15.4726","0.0006","113.759","0.004","95.344","0.003","99.235","0.003","1740.04","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 F6 Mn N5 O6 S2 -","- C32 H32 F6 Mn N5 O6 S2 -","- C64 H64 F12 Mn2 N10 O12 S4 -","2","1","","Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.","Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15560","15566","10.1039/c9dt02476j","","","1.54184","CuKα","","0.0487","0.0437","","","0.1432","0.152","","","","","","1.148","","","","has coordinates","223894","2020-10-21","18:00:00",""
"7700587","16.5663","0.0001","22.8606","0.0001","26.4461","0.0001","90","","90","","90","","10015.5","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C203 H75 Al4 F60 I12 N27 -","- C203 H75 Al4 F60 I12 N27 -","- C406 H150 Al8 F120 I24 N54 -","2","0.5","","Zhan, Xuan; Yadav, Pinky; Diskin-Posner, Yael; Fridman, Natalia; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; Mahammed, Atif; Churchill, David G.; Baik, Mu-Hyun; Gross, Zeev","Positive shift in corrole redox potentials leveraged by modest β-CF<sub>3</sub>-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12279","12286","10.1039/c9dt02150g","","","1.54184","CuKα","","0.048","0.0463","","","0.118","0.119","","","","","","1.037","","","","has coordinates,has disorder","223917","2020-10-21","18:00:00",""
"7700588","24.567","0.007","7.523","0.002","25.895","0.007","90","","101.163","0.007","90","","4695","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Gross177b (Chosen)","","","- C50 H17 F24 Ga N6 O -","- C50 H17 F24 Ga N6 O -","- C200 H68 F96 Ga4 N24 O4 -","4","1","","Zhan, Xuan; Yadav, Pinky; Diskin-Posner, Yael; Fridman, Natalia; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; Mahammed, Atif; Churchill, David G.; Baik, Mu-Hyun; Gross, Zeev","Positive shift in corrole redox potentials leveraged by modest β-CF<sub>3</sub>-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12279","12286","10.1039/c9dt02150g","","","0.71073","MoKα","","0.1451","0.0754","","","0.1712","0.2048","","","","","","0.893","","","","has coordinates","223917","2020-10-21","18:00:00",""
"7700589","9.3083","0.0003","6.846","0.0003","8.2575","0.0003","90","","104.696","0.001","90","","508.99","0.03","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Europium iodate sulfate","","","- Eu I O7 S -","- Eu I O7 S -","- Eu4 I4 O28 S4 -","4","1","","Lu, Huangjie; Guo, Xiaojing; Wang, Yaxing; Diefenbach, Kariem; Chen, Lanhua; Wang, Jian-Qiang; Lin, Jian; Wang, Shuao","Size-dependent selective crystallization using an inorganic mixed-oxoanion system for lanthanide separation.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12808","12811","10.1039/c9dt02387a","","","0.71073","MoKα","","0.0215","0.021","","","0.055","0.0554","","","","","","1.117","","","","has coordinates","224528","2020-10-21","18:00:00",""
"7700590","6.6821","0.0017","8.791","0.002","13.632","0.003","90","","90","","90","","800.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Neodymium iodate sulfate","","","- Dy2 H12 I2 O20 S2 -","- Dy2 H12 I2 O20 S2 -","- Dy4 H24 I4 O40 S4 -","2","0.5","","Lu, Huangjie; Guo, Xiaojing; Wang, Yaxing; Diefenbach, Kariem; Chen, Lanhua; Wang, Jian-Qiang; Lin, Jian; Wang, Shuao","Size-dependent selective crystallization using an inorganic mixed-oxoanion system for lanthanide separation.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12808","12811","10.1039/c9dt02387a","","","0.71073","MoKα","","0.0246","0.0238","","","0.0594","0.0598","","","","","","0.948","","","","has coordinates","224528","2020-10-21","18:00:00",""
"7700591","16.314","0.007","16.336","0.007","24.1209","0.001","71.131","0.001","75.392","0.0012","85.452","0.0015","5886","4","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C117.5 H136 Cu6 F6 O7 P10 -","- C117.5 H136 Cu6 F6 O7 P10 -","- C235 H272 Cu12 F12 O14 P20 -","2","1","","Nakajima, Takayuki; Nakamae, Kanako; Hatano, Rika; Imai, Kaho; Harada, Masafumi; Ura, Yasuyuki; Tanase, Tomoaki","Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12050","12059","10.1039/c9dt02467k","","","0.71075","MoKα","","0.08","0.0655","","","0.1955","0.2082","","","","","","1.047","","","","has coordinates,has disorder","223919","2020-10-21","18:00:00",""
"7700592","13.253","0.004","18.473","0.005","19.975","0.005","88.374","0.009","84.608","0.008","88.776","0.011","4866","2","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H98 Cu4 F6 O P10 -","- C100 H99.125 Cu4 F6 O P10 -","- C200 H198.25 Cu8 F12 O2 P20 -","2","1","","Nakajima, Takayuki; Nakamae, Kanako; Hatano, Rika; Imai, Kaho; Harada, Masafumi; Ura, Yasuyuki; Tanase, Tomoaki","Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12050","12059","10.1039/c9dt02467k","","","0.71075","MoKα","","0.0874","0.0693","","","0.2019","0.2273","","","","","","1.073","","","","has coordinates,has disorder","223919","2020-10-21","18:00:00",""
"7700593","26.0932","0.0016","26.0932","0.0016","28.933","0.003","90","","90","","90","","19699","3","153","","153","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C128 H120 B2 Cu8 F8 P12 -","- C128 H122 B2 Cu8 F8 P12 -","- C512 H488 B8 Cu32 F32 P48 -","4","0.25","","Nakajima, Takayuki; Nakamae, Kanako; Hatano, Rika; Imai, Kaho; Harada, Masafumi; Ura, Yasuyuki; Tanase, Tomoaki","Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12050","12059","10.1039/c9dt02467k","","","0.71075","MoKα","","0.0809","0.0721","","","0.2006","0.2177","","","","","","1.129","","","","has coordinates","223919","2020-10-21","18:00:00",""
"7700594","14.962","0.003","15.706","0.003","24.503","0.005","75.206","0.019","73.9","0.02","62.447","0.014","4849.9","1.8","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H88 Cu3 F18 N4 O3 P9 -","- C81 H88 Cu3 F18 N4 O3 P9 -","- C162 H176 Cu6 F36 N8 O6 P18 -","2","1","","Nakajima, Takayuki; Nakamae, Kanako; Hatano, Rika; Imai, Kaho; Harada, Masafumi; Ura, Yasuyuki; Tanase, Tomoaki","Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12050","12059","10.1039/c9dt02467k","","","0.71075","MoKα","","0.0808","0.0632","","","0.1854","0.2134","","","","","","1.092","","","","has coordinates,has disorder","223919","2020-10-21","18:00:00",""
"7700595","9.9618","0.0003","9.9618","0.0003","11.5931","0.0007","90","","90","","90","","1150.47","0.09","298","2","298","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C18 H6 In N0 O8 -","- C18 H6 In O8 -","- C18 H6 In O8 -","1","0.0625","","Zhai, Lu; Yu, Jing-Wei; Zhang, Jin; Zhang, Wen-Wei; Wang, Lifeng; Ren, Xiao-Ming","High quantum yield pure blue emission and fast proton conduction from an indium-metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12088","12095","10.1039/c9dt02472g","","","0.71073","MoKα","","0.0268","0.0268","","","0.0701","0.0701","","","","","","1.019","","","","has coordinates,has disorder","223925","2020-10-21","18:00:00",""
"7700596","20.919","0.0004","8.7864","0.0001","15.0358","0.0002","90","","90","","90","","2763.62","0.07","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H35 Cl2 N2 O2 P Ru S2 -","- C22 H35 Cl2 N2 O2 P Ru S2 -","- C88 H140 Cl8 N8 O8 P4 Ru4 S8 -","4","1","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.0325","0.0265","","","0.052","0.0544","","","","","","1.016","","","","has coordinates","223981","2020-10-21","18:00:00",""
"7700597","9.6004","0.0003","20.3354","0.0006","14.1978","0.0004","90","","107.525","0.001","90","","2643.16","0.14","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Cl2 N O2 P Ru S2 -","- C20 H38 Cl2 N O2 P Ru S2 -","- C80 H152 Cl8 N4 O8 P4 Ru4 S8 -","4","1","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.0281","0.0261","","","0.0661","0.0675","","","","","","1.046","","","","has coordinates","223981","2020-10-21","18:00:00",""
"7700598","15.4994","0.0004","17.8762","0.0005","18.5967","0.0005","90","","90","","90","","5152.6","0.2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H38 B F4 N P Rh -","- C24 H38 B F4 N P Rh -","- C192 H304 B8 F32 N8 P8 Rh8 -","8","1","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.0428","0.0312","","","0.0752","0.082","","","","","","1.03","","","","has coordinates,has disorder","223981","2020-10-21","18:00:00",""
"7700599","13.9242","0.0002","19.2794","0.0003","15.9218","0.0002","90","","96.517","0.001","90","","4246.59","0.1","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Cl2 N2 P2 Ru -","- C50 H40 Cl2 N2 P2 Ru -","- C200 H160 Cl8 N8 P8 Ru4 -","4","1","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.0386","0.0286","","","0.0665","0.0724","","","","","","1.022","","","","has coordinates","223981","2020-10-21","18:00:00",""
"7700600","19.2924","0.0004","18.355","0.0004","16.0363","0.0004","90","","102.593","0.001","90","","5542","0.2","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 Cl2 N2 O P2 Rh2 -","- C51 H40 Cl2 N2 O P2 Rh2 -","- C204 H160 Cl8 N8 O4 P8 Rh8 -","4","0.5","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.055","0.0366","","","0.0852","0.0926","","","","","","1.058","","","","has coordinates,has disorder","223981","2020-10-21","18:00:00",""
"7700601","9.2782","0.0004","18.5496","0.0007","12.291","0.0004","90","","90.788","0.003","90","","2115.17","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 Cu N3 O2 -","- C25 H23 Cu N3 O2 -","- C100 H92 Cu4 N12 O8 -","4","2","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0619","0.0432","","","0.0808","0.0868","","","","","","1.02","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700602","12.41","0.0008","4.7791","0.0003","26.5274","0.0018","90","","102.191","0.007","90","","1537.82","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cu N2 O2 -","- C19 H16 Cu N2 O2 -","- C76 H64 Cu4 N8 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0584","0.0407","","","0.0998","0.1057","","","","","","1.039","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700603","5.6328","0.0002","12.7929","0.0006","15.644","0.0009","68.148","0.005","81.123","0.004","88.371","0.004","1033.26","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cu N3 O5 S -","- C21 H23 Cu N3 O5 S -","- C42 H46 Cu2 N6 O10 S2 -","2","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0408","0.0331","","","0.0696","0.0725","","","","","","1.039","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700604","15.5807","0.0007","5.5244","0.0002","17.5567","0.0007","90","","90.031","0.004","90","","1511.18","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cu N3 O2 -","- C18 H15 Cu N3 O2 -","- C72 H60 Cu4 N12 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0757","0.0499","","","0.0921","0.1014","","","","","","1.016","","","","has coordinates","223909","2020-10-21","18:00:00",""
"7700605","8.4913","0.0002","11.1491","0.0003","13.2268","0.0003","101.462","0.002","90.604","0.002","98.979","0.002","1211.06","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cu N3 O2 -","- C25 H17 Cu N3 O2 -","- C50 H34 Cu2 N6 O4 -","2","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0349","0.0337","","","0.1038","0.1048","","","","","","1.062","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700606","7.795","0.0002","17.1368","0.0006","23.0559","0.0008","90","","90","","90","","3079.84","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cu N3 O2 -","- C19 H13 Cu N3 O2 -","- C152 H104 Cu8 N24 O16 -","8","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0419","0.0334","","","0.0756","0.0791","","","","","","1.094","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700607","21.0789","0.001","3.83614","0.00016","22.5607","0.0009","90","","103.128","0.004","90","","1776.62","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(SB-1)](2,4'-bpy)","","- C23 H17 Cu N3 O2 -","- C23 H17 Cu N3 O2 -","- C92 H68 Cu4 N12 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0627","0.0517","","","0.1244","0.1292","","","","","","1.16","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700608","16.8283","0.0009","13.7876","0.0006","9.7394","0.0005","90","","103.09","0.005","90","","2201.04","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu N4 O2 -","- C28 H20 Cu N4 O2 -","- C112 H80 Cu4 N16 O8 -","4","0.5","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0373","0.0302","","","0.0734","0.0764","","","","","","1.135","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700609","35.0007","0.0009","12.6364","0.0004","16.916","0.0004","90","","94.861","0.003","90","","7454.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(SB-1)](4-dmap)2","","- C27 H29 Cu N5 O2 -","- C27 H29 Cu N5 O2 -","- C324 H348 Cu12 N60 O24 -","12","3","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.107","0.0679","","","0.1451","0.1595","","","","","","1.128","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700610","28.0625","0.0017","4.88379","0.00017","27.4855","0.0017","90","","118.305","0.008","90","","3316.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cu N3 O2 -","- C20 H15 Cu N3 O2 -","- C160 H120 Cu8 N24 O16 -","8","2","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.085","0.0621","","","0.1524","0.1622","","","","","","1.097","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700611","15.51709","0.00013","5.49923","0.00006","17.54359","0.00016","90","","90.0016","0.0008","90","","1497.03","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cu N3 O2 -","- C18 H15 Cu N3 O2 -","- C72 H60 Cu4 N12 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0525","0.0376","","","0.0955","0.1039","","","","","","1.032","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700612","18.3414","0.0005","12.3024","0.0003","24.5778","0.0008","90","","90.347","0.003","90","","5545.7","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[Cu(SB-1)](4-tBupy)2","","- C31 H35 Cu N3 O2 -","- C31 H35 Cu N3 O2 -","- C248 H280 Cu8 N24 O16 -","8","2","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0928","0.0542","","","0.1572","0.1849","","","","","","1.058","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700613","9.7594","0.0004","11.4338","0.0003","13.2116","0.0005","90","","90","","90","","1474.24","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Cu N2 O2 -","- C18 H14 Cu N2 O2 -","- C72 H56 Cu4 N8 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0653","0.048","","","0.0966","0.1031","","","","","","1.055","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700614","12.2309","0.0005","19.1471","0.0006","11.1735","0.0004","90","","110.895","0.004","90","","2444.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cu N5 O2 -","- C27 H29 Cu N5 O2 -","- C108 H116 Cu4 N20 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0448","0.0344","","","0.0826","0.0868","","","","","","1.042","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700615","6.42037","0.00013","28.6887","0.0007","11.1669","0.0002","90","","92.298","0.002","90","","2055.2","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cu N3 O4 -","- C25 H19 Cu N3 O4 -","- C100 H76 Cu4 N12 O16 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0443","0.0412","","","0.0949","0.0961","","","","","","1.183","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700616","28.0727","0.0008","14.7955","0.0004","20.9816","0.0005","90","","96.313","0.002","90","","8661.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H43 Dy N4 O6 -","- C47 H43 Dy N4 O6 -","- C376 H344 Dy8 N32 O48 -","8","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Zengqi; Gao, Fei; Wang, Lei; Hu, Dengwei; Chen, Sanping","Ligand ratio/solvent-influenced syntheses, crystal structures, and magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds with β-diketonate ligands as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12466","12481","10.1039/c9dt02618e","","","1.54184","CuKα","","0.0576","0.0407","","","0.1104","0.13","","","","","","0.753","","","","has coordinates","223989","2020-10-21","18:00:00",""
"7700617","22.8533","0.0007","15.4432","0.0006","11.892","0.0004","90","","90.191","0.003","90","","4197","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 Dy N4 O6 -","- C47 H43 Dy N4 O6 -","- C188 H172 Dy4 N16 O24 -","4","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Zengqi; Gao, Fei; Wang, Lei; Hu, Dengwei; Chen, Sanping","Ligand ratio/solvent-influenced syntheses, crystal structures, and magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds with β-diketonate ligands as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12466","12481","10.1039/c9dt02618e","","","1.54184","CuKα","","0.0743","0.047","","","0.1","0.1155","","","","","","1.034","","","","has coordinates","223989","2020-10-21","18:00:00",""
"7700618","35.2909","0.0006","35.2909","0.0006","35.2909","0.0006","90","","90","","90","","43953","1.3","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C77 H65 Dy2 N4 O10 -","- C77 H65 Dy2 N4 O10 -","- C1848 H1560 Dy48 N96 O240 -","24","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Zengqi; Gao, Fei; Wang, Lei; Hu, Dengwei; Chen, Sanping","Ligand ratio/solvent-influenced syntheses, crystal structures, and magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds with β-diketonate ligands as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12466","12481","10.1039/c9dt02618e","","","1.54184","CuKα","","0.1354","0.0679","","","0.1803","0.2383","","","","","","0.851","","","","has coordinates","223989","2020-10-21","18:00:00",""
"7700619","11.5764","0.0006","11.5764","0.0006","32.67","0.003","90","","90","","120","","3791.6","0.4","130","2","130","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C41 H100 Br3 Cl6 N5 Re12 S14 -","- C Br3 Cl6 Re12 S14 -","- C2 Br6 Cl12 Re24 S28 -","2","0.166667","","Gayfulin, Yakov M.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Samsonenko, Denis G.; Kitamura, Noboru; Mironov, Yuri V.","Luminescent twelve-nuclear rhenium clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12522","12530","10.1039/c9dt02352f","","x-ray","0.71073","MoKα","","0.0919","0.0575","","","0.1456","0.156","","","","","","1.051","","","","has coordinates","223982","2020-10-21","18:00:00",""
"7700620","11.9994","0.0007","11.9994","0.0007","17.3402","0.0015","90","","90","","120","","2162.2","0.3","130","2","130","2","","","","","","","","6","P -6 2 m","P -6 -2","189","","","","- C41 H100 Br9 N5 Re12 S14 -","- C Br9 Re12 S14 -","- C Br9 Re12 S14 -","1","0.0833333","","Gayfulin, Yakov M.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Samsonenko, Denis G.; Kitamura, Noboru; Mironov, Yuri V.","Luminescent twelve-nuclear rhenium clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12522","12530","10.1039/c9dt02352f","","x-ray","0.71073","MoKα","","0.0493","0.0281","","","0.0605","0.0655","","","","","","0.869","","","","has coordinates","223982","2020-10-21","18:00:00",""
"7700621","15.7513","0.0005","8.4099","0.0003","17.769","0.0005","90","","122.996","0.001","90","","1974.16","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O6 P2 Zn1.5 -","- C2 H10 N O6 P2 Zn1.5 -","- C16 H80 N8 O48 P16 Zn12 -","8","1","","Chen, Chuan; Hsieh, Chia-Fang; Lin, Hsiu-Mei; Hsu, Ying-Feng; Yang, Jye-Shane; Wang, Chih-Min","A dual fluorescent/phosphorescent zincophosphite with interesting water adsorption and structural transformation properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14294","14298","10.1039/c9dt02288k","","","0.71073","MoKα","","0.0259","0.0215","","","0.0568","0.0595","","","","","","0.994","","","","has coordinates","224553","2020-10-21","18:00:00",""
"7700622","7.5523","0.0008","7.6679","0.0008","9.4468","0.001","88.59","0.003","89.272","0.003","87.134","0.003","546.18","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- H12 O11 P2 Zn2 -","- H10 O11 P2 Zn2 -","- H20 O22 P4 Zn4 -","2","1","","Chen, Chuan; Hsieh, Chia-Fang; Lin, Hsiu-Mei; Hsu, Ying-Feng; Yang, Jye-Shane; Wang, Chih-Min","A dual fluorescent/phosphorescent zincophosphite with interesting water adsorption and structural transformation properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14294","14298","10.1039/c9dt02288k","","","0.71073","MoKα","","0.0651","0.0536","","","0.1663","0.1742","","","","","","1.062","","","","has coordinates","224553","2020-10-21","18:00:00",""
"7700623","11.612","0.004","8.505","0.002","16.28","0.005","90","","94.685","0.004","90","","1602.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 N6 Pd -","- C32 H42 Cl2 N6 Pd -","- C64 H84 Cl4 N12 Pd2 -","2","0.5","","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12577","12590","10.1039/c9dt02147g","","","0.71073","MoKα","","0.1231","0.0751","","","0.1975","0.2326","","","","","","1.004","","","","has coordinates","223980","2020-10-21","18:00:00",""
"7700624","9.84","0.004","22.482","0.008","15.732","0.006","90","","93.172","0.005","90","","3475","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H86 Ag4 Br4 Cl2 N12 -","- C64 H84 Ag4 Br4 N12 -","- C128 H168 Ag8 Br8 N24 -","2","0.5","","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12577","12590","10.1039/c9dt02147g","","","0.71073","MoKα","","0.0936","0.0579","","","0.1288","0.1415","","","","","","1.007","","","","has coordinates","223980","2020-10-21","18:00:00",""
"7700625","31.67","0.04","10.719","0.017","25.17","0.04","90","","105.24","0.02","90","","8244","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H96 Ag4 Br4 Cl4 N12 -","- C82 H96 Ag4 Br4 Cl4 N12 -","- C328 H384 Ag16 Br16 Cl16 N48 -","4","0.5","","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12577","12590","10.1039/c9dt02147g","","","0.71073","MoKα","","0.1189","0.0835","","","0.2037","0.2256","","","","","","1.009","","","","has coordinates,has disorder","223980","2020-10-21","18:00:00",""
"7700626","12.462","0.017","10.751","0.015","14.335","0.019","90","","103.665","0.019","90","","1866","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Br0.43 Cl1.57 N6 Pd -","- C40 H46 Br0.428 Cl1.572 N6 Pd -","- C80 H92 Br0.856 Cl3.144 N12 Pd2 -","2","0.5","","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12577","12590","10.1039/c9dt02147g","","","0.71073","MoKα","","0.1106","0.0879","","","0.248","0.2636","","","","","","1.007","","","","has coordinates,has disorder","223980","2020-10-21","18:00:00",""
"7700627","9.35","0.003","16.797","0.006","25.649","0.008","90","","90","","90","","4028","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Br2 Cl6 N6 -","- C34 H46 Br2 Cl6 N6 -","- C136 H184 Br8 Cl24 N24 -","4","0.5","","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12577","12590","10.1039/c9dt02147g","","","0.71073","MoKα","","0.0872","0.0597","","","0.1605","0.175","","","","","","1.006","","","","has coordinates","223980","2020-10-21","18:00:00",""
"7700628","18.1354","0.0005","14.6714","0.0004","32.6068","0.0009","90","","97.326","0.001","90","","8604.9","0.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Spiro_fused_OxPNi","","","- C83.2 H90.2 Cl0.6 N10 Ni O4 -","- C83.2 H90.2 Cl0.6 N10 Ni O4 -","- C332.8 H360.8 Cl2.4 N40 Ni4 O16 -","4","1","","Chahal, Mandeep K.; Labuta, Jan; Březina, Václav; Karr, Paul A.; Matsushita, Yoshitaka; Webre, Whitney A.; Payne, Daniel T.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Knock-on synthesis of tritopic calix[4]pyrrole host for enhanced anion interactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15583","15596","10.1039/c9dt02365h","","","0.71073","MoKα","","0.0658","0.0511","","","0.1255","0.135","","","","","","1.035","","","","has coordinates,has disorder","223902","2020-10-21","18:00:00",""
"7700629","4.07919","0.00003","4.06374","0.00003","12.67649","0.00007","90","","90","","90","","210.135","0.002","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In La O S2 -","- In La O S2 -","- In2 La2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0789","0.0781","","0.0801","0.08","","","","5.67","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700630","3.99156","0.00007","3.98626","0.00008","12.709","0.0001","90","","90","","90","","202.218","0.006","450","","450","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ce In O S2 -","- Ce In O S2 -","- Ce2 In2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0787","0.0786","","0.0945","0.0945","","","","8.54","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700631","3.97576","0.00007","3.98177","0.00007","12.67618","0.00011","90","","90","","90","","200.671","0.005","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ce In O S2 -","- Ce In O S2 -","- Ce2 In2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0695","0.0694","","0.094","0.094","","","","10.14","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700632","3.98582","0.00006","3.98","0.00007","12.69515","0.0001","90","","90","","90","","201.39","0.005","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ce In O S2 -","- Ce In O S2 -","- Ce2 In2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0654","0.0652","","0.0877","0.0877","","","","8.98","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700633","4.07503","0.00003","4.05771","0.00003","12.66236","0.00009","90","","90","","90","","209.376","0.003","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In La O S2 -","- In La O S2 -","- In2 La2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.1721","0.1325","","0.1394","0.1357","","","","6.47","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700634","3.992338","0.000016","3.998947","0.000017","12.70004","0.00004","90","","90","","90","","202.758","0.0013","146","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In O Pr S2 -","- In O Pr S2 -","- In2 O2 Pr2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0557","0.0557","","0.0686","0.0686","","","","7.67","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700635","4.07111","0.00002","4.08273","0.00003","12.69815","0.00006","90","","90","","90","","211.059","0.002","460","","460","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In La O S2 -","- In La O S2 -","- In2 La2 O2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.1688","0.1111","","0.0979","0.0912","","","","5.2","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700636","3.996654","0.000015","4.001852","0.000016","12.72153","0.00004","90","","90","","90","","203.468","0.0013","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In O Pr S2 -","- In O Pr S2 -","- In2 O2 Pr2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.0577","0.0574","","0.0615","0.0613","","","","7.06","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700637","4.00067","0.00003","4.00209","0.00003","12.75783","0.00003","90","","90","","90","","204.266","0.002","450","","450","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- In O Pr S2 -","- In O Pr S2 -","- In2 O2 Pr2 S4 -","2","0.5","","Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu","An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12272","12278","10.1039/c9dt01562k","powder diffraction","x-ray","0.49527","synchrotron","","0.1151","0.0618","","0.0706","0.0621","","","","6.56","","","","","","","has coordinates","223921","2020-10-21","18:00:00",""
"7700638","8.0643","0.0007","12.4688","0.001","8.4994","0.0007","90","","110.017","0.003","90","","803.01","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cu N2 O S -","- C7 H5 Cu N2 O S -","- C28 H20 Cu4 N8 O4 S4 -","4","1","","Khan, M. Shahnawaz; Khalid, Mohd; Ahmad, M. Shahwaz; Shahid, M.; Ahmad, Musheer","Three-in-one is really better: exploring the sensing and adsorption properties in a newly designed metal-organic system incorporating a copper(ii) ion.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12918","12932","10.1039/c9dt02578b","","","0.71073","MoKα","","0.0509","0.0407","","","0.0858","0.0912","","","","","","1.0737","","","","has coordinates","224518","2020-10-21","18:00:00",""
"7700639","10.0824","0.0003","8.3838","0.0002","10.9546","0.0004","90","","104.184","0.004","90","","897.75","0.05","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C4 H16 Br5 N2 O Pb S2 -","- C4 H16 Br5 N2 O Pb S2 -","- C8 H32 Br10 N4 O2 Pb2 S4 -","2","1","","Hu, Yue-Qiao; Hui, Hong-Yan; Wen, Hong-Qiang; Wang, Yanyan; Lin, Wei-Quan; Yang, De-Suo; Feng, Guo-Dong","Tracking the dimensional conversion process of semiconducting lead bromide perovskites by mass spectroscopy, powder X-ray diffraction, microcalorimetry and crystallography.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12888","12894","10.1039/c9dt02068c","","x-ray","0.71073","MoKα","","0.0298","0.0254","","","0.0461","0.0471","","","","","","0.994","","","","has coordinates","224525","2020-10-21","18:00:00",""
"7700640","11.3898","0.0003","11.6104","0.0003","22.8884","0.0006","90","","90.983","0.002","90","","3026.32","0.14","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","","","- C2.46 H8.62 Br2.46 N1.23 Pb0.62 S1.23 -","- C2.46154 H8.61538 Br2.46154 N1.23077 Pb0.615385 S1.23077 -","- C32 H112 Br32 N16 Pb8 S16 -","13","1.625","","Hu, Yue-Qiao; Hui, Hong-Yan; Wen, Hong-Qiang; Wang, Yanyan; Lin, Wei-Quan; Yang, De-Suo; Feng, Guo-Dong","Tracking the dimensional conversion process of semiconducting lead bromide perovskites by mass spectroscopy, powder X-ray diffraction, microcalorimetry and crystallography.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12888","12894","10.1039/c9dt02068c","","x-ray","0.71073","MoKα","","0.0261","0.0209","","","0.043","0.0442","","","","","","1.028","","","","has coordinates","224525","2020-10-21","18:00:00",""
"7700641","18.519","0.003","18.519","0.003","25.112","0.005","90","","90","","120","","7458","2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H66 N6 Tb -","- C54 H66 N6 Tb -","- C324 H396 N36 Tb6 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0726","0.0435","","","0.0752","0.0838","","","","","","1.006","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700642","18.5889","0.0003","18.5889","0.0003","25.401","0.0007","90","","90","","120","","7601.3","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 Er N6 -","- C57.5007 H70.0008 Er N6 -","- C345.004 H420.005 Er6 N36 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0287","0.0217","","","0.0534","0.0576","","","","","","1.015","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700643","18.6899","0.0007","18.6899","0.0007","25.1795","0.001","90","","90","","120","","7617.1","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 N6 Y -","- C57.5007 H70.0008 N6 Y -","- C345.004 H420.005 N36 Y6 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.04","0.0383","","","0.1026","0.1037","","","","","","1.08","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700644","18.6116","0.0005","18.6116","0.0005","25.289","0.0007","90","","90","","120","","7586.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 Dy N6 -","- C57.5007 H70.0008 Dy N6 -","- C345.004 H420.005 Dy6 N36 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0352","0.0269","","","0.0602","0.0643","","","","","","1.051","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700645","18.6764","0.0014","18.6764","0.0014","25.337","0.002","90","","90","","120","","7653.7","1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 Gd N6 -","- C57.5007 H70.0008 Gd N6 -","- C345.004 H420.005 Gd6 N36 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0353","0.0275","","","0.064","0.0694","","","","","","1.008","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700646","8.7575","0.0004","35.7671","0.0018","11.0138","0.0006","90","","101.629","0.002","90","","3379","0.3","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ir(phenylpyridine)2(2,2?;5?,4??-terpyridine)PF6","","- C37 H27 F6 Ir N5 P -","- C37 H27 F6 Ir N5 P -","- C148 H108 F24 Ir4 N20 P4 -","4","1","","Lentz, Cédric; Schott, Olivier; Auvray, Thomas; Hanan, Garry S.; Elias, Benjamin","Design and photophysical studies of iridium(iii)-cobalt(iii) dyads and their application for dihydrogen photo-evolution.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15567","15576","10.1039/c9dt01989h","","","1.34139","GaKα","","0.0323","0.0323","","","0.0861","0.0863","","","","","","1.243","","","","has coordinates","223898","2020-10-21","18:00:00",""
"7700647","20.5798","0.0019","24.646","0.002","14.4517","0.0013","90","","108.834","0.004","90","","6937.6","1.1","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ir(phenylisoquinoline)2(2,2,4,4 terpyridine)PF6","","- C37 H27 F6 Ir N5 P -","- C37 H27 F6 Ir N5 P -","- C296 H216 F48 Ir8 N40 P8 -","8","1","","Lentz, Cédric; Schott, Olivier; Auvray, Thomas; Hanan, Garry S.; Elias, Benjamin","Design and photophysical studies of iridium(iii)-cobalt(iii) dyads and their application for dihydrogen photo-evolution.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15567","15576","10.1039/c9dt01989h","","x-ray","1.34139","GaKα","","0.081","0.071","","","0.1757","0.1835","","","","","","1.066","","","","has coordinates,has disorder","223898","2020-10-21","18:00:00",""
"7700648","39.0974","0.0012","11.0469","0.0003","21.9827","0.0007","90","","110.291","0.001","90","","8905.2","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ir(phenylisoquinoline)2 (2,2,5,4 terpyridine)PF6","","- C45 H31 F6 Ir N5 P -","- C45 H31 F6 Ir N5 P -","- C360 H248 F48 Ir8 N40 P8 -","8","1","","Lentz, Cédric; Schott, Olivier; Auvray, Thomas; Hanan, Garry S.; Elias, Benjamin","Design and photophysical studies of iridium(iii)-cobalt(iii) dyads and their application for dihydrogen photo-evolution.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15567","15576","10.1039/c9dt01989h","","x-ray","1.34139","GaKα","","0.0422","0.0419","","","0.1089","0.1093","","","","","","1.061","","","","has coordinates,has disorder","223898","2020-10-21","18:00:00",""
"7700649","32.42","0.007","15.214","0.003","24.24","0.006","90","","124.305","0.003","90","","9876","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 Co4 Dy2 N18 O22 -","- C68 H88 Co4 Dy2 N18 O22 -","- C272 H352 Co16 Dy8 N72 O88 -","4","0.5","","Li, Qipeng; Peng, Yan; Qian, Jinjie; Yan, Tong; Du, Lin; Zhao, Qihua","A family of planar hexanuclear CoLn clusters with lucanidae-like arrangement and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12880","12887","10.1039/c9dt02103e","","","0.71073","MoKα","","0.0611","0.0508","","","0.1521","0.1689","","","","","","1.061","","","","has coordinates","224523","2020-10-21","18:00:00",""
"7700650","32.415","0.01","15.275","0.004","24.178","0.007","90","","124.311","0.004","90","","9888","5","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 Co4 Eu2 N18 O22 -","- C68 H88 Co4 Eu2 N18 O22 -","- C272 H352 Co16 Eu8 N72 O88 -","4","0.5","","Li, Qipeng; Peng, Yan; Qian, Jinjie; Yan, Tong; Du, Lin; Zhao, Qihua","A family of planar hexanuclear CoLn clusters with lucanidae-like arrangement and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12880","12887","10.1039/c9dt02103e","","","0.71073","MoKα","","0.0588","0.0462","","","0.1355","0.1502","","","","","","1.152","","","","has coordinates,has disorder","224523","2020-10-21","18:00:00",""
"7700651","32.233","0.005","15.176","0.002","24.082","0.004","90","","124.194","0.002","90","","9744","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 Co4 N18 O22 Tb2 -","- C68 H88 Co4 N18 O22 Tb2 -","- C272 H352 Co16 N72 O88 Tb8 -","4","0.5","","Li, Qipeng; Peng, Yan; Qian, Jinjie; Yan, Tong; Du, Lin; Zhao, Qihua","A family of planar hexanuclear CoLn clusters with lucanidae-like arrangement and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12880","12887","10.1039/c9dt02103e","","","0.71073","MoKα","","0.0614","0.054","","","0.1714","0.1977","","","","","","1.074","","","","has coordinates,has disorder","224523","2020-10-21","18:00:00",""
"7700652","32.521","0.002","15.185","0.0005","24.2071","0.0015","90","","124.219","0.002","90","","9884.9","1","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 Co4 Gd2 N18 O22 -","- C68 H88 Co4 Gd2 N18 O22 -","- C272 H352 Co16 Gd8 N72 O88 -","4","0.5","","Li, Qipeng; Peng, Yan; Qian, Jinjie; Yan, Tong; Du, Lin; Zhao, Qihua","A family of planar hexanuclear CoLn clusters with lucanidae-like arrangement and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12880","12887","10.1039/c9dt02103e","","","0.71073","MoKα","","0.0548","0.0444","","","0.1364","0.1465","","","","","","1.1","","","","has coordinates,has disorder","224523","2020-10-21","18:00:00",""
"7700653","9.0511","0.0003","9.5169","0.0001","9.6658","0.0005","88.646","0.013","82.997","0.014","65.216","0.011","749.92","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Gd2 N12 O24 -","- C12 Gd2 N12 O24 -","- C12 Gd2 N12 O24 -","1","0.5","","Hao, Xia; Luo, Min; Lin, Chensheng; Lin, Donghong; Cao, Liling; Ye, Ning","RE(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>·(OH)·xH<sub>2</sub>O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sup>-</sup> group.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12296","12302","10.1039/c9dt02512j","","","0.71073","MoKα","","0.0325","0.0265","","","0.0692","0.0936","","","","","","1.173","","","","has coordinates","223916","2020-10-21","18:00:00",""
"7700654","9.0268","0.0006","9.4796","0.0006","9.5849","0.0005","88.536","0.005","82.9","0.005","65.225","0.006","738.67","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 N12 O24 Y2 -","- C12 N12 O24 Y2 -","- C12 N12 O24 Y2 -","1","0.5","","Hao, Xia; Luo, Min; Lin, Chensheng; Lin, Donghong; Cao, Liling; Ye, Ning","RE(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>·(OH)·xH<sub>2</sub>O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sup>-</sup> group.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12296","12302","10.1039/c9dt02512j","","","0.71073","MoKα","","0.0393","0.0355","","","0.0941","0.0984","","","","","","1.084","","","","has coordinates","223916","2020-10-21","18:00:00",""
"7700655","8.131","0.003","17.194","0.006","8.534","0.003","90","","99.467","0.006","90","","1176.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 La N6 O9 -","- C6 La N6 O9 -","- C24 La4 N24 O36 -","4","1","","Hao, Xia; Luo, Min; Lin, Chensheng; Lin, Donghong; Cao, Liling; Ye, Ning","RE(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>·(OH)·xH<sub>2</sub>O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sup>-</sup> group.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12296","12302","10.1039/c9dt02512j","","","0.71073","MoKα","","0.0465","0.0402","","","0.0785","0.0808","","","","","","1.225","","","","has coordinates","223916","2020-10-21","18:00:00",""
"7700656","10.034","0.0009","10.0396","0.0009","16.818","0.0009","94.43","0.006","93.666","0.006","113.172","0.009","1544.6","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 B N7 O2 Se W -","- C26 H42 B N7 O2 Se W -","- C52 H84 B2 N14 O4 Se2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","1.54184","CuKα","","0.0763","0.059","","","0.1505","0.1599","","","","","","1.025","","","","has coordinates","223973","2020-10-21","18:00:00",""
"7700657","9.5204","0.0002","20.3906","0.0003","10.6522","0.0002","90","","115.409","0.002","90","","1867.85","0.07","100","0.1","100","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C36 H37 B Cu N6 O2 P Se W -","- C36 H37 B Cu N6 O2 P Se W -","- C72 H74 B2 Cu2 N12 O4 P2 Se2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","1.54184","CuKα","","0.0328","0.03","","","0.072","0.0731","","","","","","1.02","","","","has coordinates","223973","2020-10-21","18:00:00",""
"7700658","9.8636","0.0001","24.9374","0.0002","31.5709","0.0003","90","","89.555","0.001","90","","7765.34","0.12","150","0.1","150","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H38 Au B Cl N6 O2 P Se W -","- C36.5 H38 Au B Cl N6 O2 P Se W -","- C292 H304 Au8 B8 Cl8 N48 O16 P8 Se8 W8 -","8","2","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","1.54184","CuKα","","0.04","0.034","","","0.0783","0.0811","","","","","","1.058","","","","has coordinates,has disorder","223973","2020-10-21","18:00:00",""
"7700659","13.7862","0.0003","25.8754","0.0007","19.8758","0.0003","90","","101.188","0.002","90","","6955.4","0.3","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H67 Au B N6 O2 P3 Se W -","- C72 H67 Au B N6 O2 P3 Se W -","- C288 H268 Au4 B4 N24 O8 P12 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","0.71073","MoKα","","0.0785","0.0547","","","0.0971","0.1057","","","","","","1.094","","","","has coordinates,has disorder","223973","2020-10-21","18:00:00",""
"7700660","13.9218","0.0003","25.7404","0.0005","19.9769","0.0004","90","","101.064","0.002","90","","7025.7","0.3","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H73 Ag B N8 O2 P3 Se W -","- C76 H73 Ag B N8 O2 P3 Se W -","- C304 H292 Ag4 B4 N32 O8 P12 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","0.71073","MoKα","","0.0647","0.0427","","","0.091","0.1013","","","","","","1.092","","","","has coordinates,has disorder","223973","2020-10-21","18:00:00",""
"7700661","14.3857","0.0007","15.1513","0.0007","16.9587","0.0008","64.575","0.005","73.129","0.004","62.16","0.005","2933.3","0.3","150","0.1","150","0.1","","","","","","","","11","P -1","-P 1","2","","","","- C36 H58 B Cu3 F12 N6 O2 P2 S9 Se W -","- C36 H58 B Cu3 F12 N6 O2 P2 S9 Se W -","- C72 H116 B2 Cu6 F24 N12 O4 P4 S18 Se2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","1.54184","CuKα","","0.04","0.0334","","","0.0789","0.0825","","","","","","1.006","","","","has coordinates","223973","2020-10-21","18:00:00",""
"7700662","13.6422","0.0003","25.6817","0.0004","19.9094","0.0003","90","","102.594","0.002","90","","6807.5","0.2","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72 H67 B Cu N6 O2 P3 Se W -","- C72 H67 B Cu N6 O2 P3 Se W -","- C288 H268 B4 Cu4 N24 O8 P12 Se4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.","New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12598","12606","10.1039/c9dt02958c","","","1.54184","CuKα","","0.0501","0.0398","","","0.1035","0.1105","","","","","","1.024","","","","has coordinates,has disorder","223973","2020-10-21","18:00:00",""
"7700663","9.5603","0.0005","14.6941","0.0008","24.4867","0.0013","89.905","0.002","85.864","0.002","78.757","0.002","3364.8","0.3","150","","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H86 Fe Ge9 O2 Si12 -","- C34 H86 Fe Ge9 O2 Si12 -","- C68 H172 Fe2 Ge18 O4 Si24 -","2","1","","Michenfelder, Nadine C.; Gienger, Christian; Schnepf, Andreas; Unterreiner, Andreas-Neil","The influence of the FeCp(CO)<sub>2</sub><sup>+</sup> moiety on the dynamics of the metalloid [Ge<sub>9</sub>(Si(SiMe<sub>3</sub>)<sub>3</sub>)<sub>3</sub>]<sup>-</sup> cluster in thf: synthesis and characterization by time-resolved absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15577","15582","10.1039/c9dt02091h","","x-ray","0.71073","MoKα","","0.0646","0.0356","","","0.0751","0.0859","","","","","","1.02","","","","has coordinates,has disorder","223891","2020-10-21","18:00:00",""
"7700664","11.479","0.003","10.535","0.003","22.524","0.006","90","","93.233","0.005","90","","2719.5","1.3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N O8 Tb -","- C14 H10 N O8 Tb -","- C112 H80 N8 O64 Tb8 -","8","1","","Guo, Feng; Su, Changhua; Fan, Yuhang; Shi, Wenbing","An excellently stable Tb<sup>III</sup>-organic framework with outstanding stability as a rapid, reversible, and multi-responsive luminescent sensor in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12910","12917","10.1039/c9dt02921d","","","0.71073","MoKα","","0.0464","0.0365","","","0.0833","0.0863","","","","","","1.103","","","","has coordinates","224529","2020-10-21","18:00:00",""
"7700665","19.358","0.005","21.762","0.006","23.71","0.006","101.789","0.005","104.044","0.004","114.608","0.004","8265","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H4 As6 K16 N4 O251 Pr4 W58 -","- C12 H4 As6 K16 N4 O251 Pr4 W58 -","- C12 H4 As6 K16 N4 O251 Pr4 W58 -","1","0.5","","Ma, Xinyi; He, Peipei; Xu, Baijie; Lu, Jingkun; Wan, Rong; Wu, Hechen; Wang, Yuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Pyrazine dicarboxylate-bridged arsenotungstate: synthesis, characterization, and catalytic activities in epoxidation of olefins and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12956","12963","10.1039/c9dt02436k","","","0.71073","MoKα","","0.1212","0.0696","","","0.1648","0.1965","","","","","","0.975","","","","has coordinates","224515","2020-10-21","18:00:00",""
"7700666","19.7572","0.001","7.1356","0.0004","16.9222","0.0009","90","","106.06","0.005","90","","2292.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 B10 N O2 -","- C20 H27 B10 N O2 -","- C80 H108 B40 N4 O8 -","4","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.0898","0.0643","","","0.1585","0.1802","","","","","","1.068","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700667","7.66445","0.00009","24.0864","0.0003","9.93244","0.00011","90","","91.4799","0.001","90","","1833.01","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B10 I -","- C12 H23 B10 I -","- C48 H92 B40 I4 -","4","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.0239","0.0232","","","0.0574","0.058","","","","","","1.063","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700668","9.6878","0.0005","13.3183","0.0006","14.0198","0.0008","67.144","0.005","77.412","0.004","80.202","0.004","1619.44","0.16","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H43 N Si -","- C38 H43 N Si -","- C76 H86 N2 Si2 -","2","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.0469","0.0388","","","0.0931","0.0977","","","","","","1.025","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700669","18.7163","0.0003","17.1816","0.0003","9.89979","0.00015","90","","90","","90","","3183.53","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H33 B10 N -","- C34 H33 B10 N -","- C136 H132 B40 N4 -","4","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","0.71073","MoKα","","0.0558","0.0429","","","0.091","0.0989","","","","","","1.062","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700670","12.37394","0.00008","15.47174","0.0001","16.34898","0.00012","90","","99.7934","0.0006","90","","3084.34","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 B10 I -","- C27 H43 B10 I -","- C108 H172 B40 I4 -","4","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.0347","0.0335","","","0.0969","0.098","","","","","","1.092","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700671","10.853","0.0005","14.4693","0.0007","20.0555","0.0009","97.508","0.004","91.388","0.004","90.186","0.004","3121.4","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H37 B10 N -","- C32 H37 B10 N -","- C128 H148 B40 N4 -","4","2","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.1533","0.1395","","","0.381","0.3894","","","","","","1.048","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700672","11.1826","0.0002","7.76362","0.00013","31.449","0.0006","90","","97.4343","0.0016","90","","2707.37","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 B10 N -","- C28 H29 B10 N -","- C112 H116 B40 N4 -","4","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.123","0.1205","","","0.3268","0.3276","","","","","","1.223","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700673","10.1137","0.0007","10.5179","0.0006","24.2285","0.0015","84.313","0.005","82.206","0.005","64.163","0.006","2295.9","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.1005","0.0566","","","0.1166","0.1425","","","","","","1.05","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700674","11.573","0.0005","12.1386","0.0005","12.2843","0.0006","105.841","0.004","108.491","0.004","110.908","0.004","1375.97","0.15","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H35 N -","- C35 H35 N -","- C70 H70 N2 -","2","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","1.54184","CuKα","","0.0498","0.0395","","","0.0983","0.1054","","","","","","1.029","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700675","23.10844","0.00015","23.10844","0.00015","13.18166","0.00015","90","","90","","90","","7039.01","0.1","292.06","0.1","292.06","0.1","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C12 H12 Mn2 N2 O13 S2 -","- C12 H12 Mn2 N2 O13 S2 -","- C192 H192 Mn32 N32 O208 S32 -","16","1","","Luan, Lindong; Zhang, Ying; Zeng, Hongmei; Zou, Guohong; Dai, Yong; Zhou, Xiaoying; Lin, Zhien","Cluster-oxalate frameworks with extra-large channels: solvent-free synthesis, chemical stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13130","13134","10.1039/c9dt02703c","","x-ray","1.54184","CuKα","","0.0411","0.0401","","","0.1002","0.1012","","","","","","1.037","","","","has coordinates","224498","2020-10-21","18:00:00",""
"7700676","10.7933","0.0003","11.9038","0.0003","13.2892","0.0003","107.688","0.002","95.217","0.002","99.513","0.002","1586.12","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H27 In3 N2 O29 P5 -","- C7 H24 In3 N2 O28 P5 -","- C14 H48 In6 N4 O56 P10 -","2","1","","Luan, Lindong; Zhang, Ying; Zeng, Hongmei; Zou, Guohong; Dai, Yong; Zhou, Xiaoying; Lin, Zhien","Cluster-oxalate frameworks with extra-large channels: solvent-free synthesis, chemical stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13130","13134","10.1039/c9dt02703c","","x-ray","0.71073","MoKα","","0.0284","0.0245","","","0.0565","0.0585","","","","","","1.039","","","","has coordinates","224498","2020-10-21","18:00:00",""
"7700677","10.9154","0.0004","18.1161","0.0006","15.8325","0.0006","90","","106.561","0.0007","90","","3000.92","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 B P2 Pd Ru -","- C28 H51 B P2 Pd Ru -","- C112 H204 B4 P8 Pd4 Ru4 -","4","1","","Safronov, Sergey V.; Gutsul, Evgenii I.; Golub, Igor E.; Dolgushin, Fedor M.; Nelubina, Yulia V.; Filippov, Oleg A.; Epstein, Lina M.; Peregudov, Alexander S.; Belkova, Natalia V.; Shubina, Elena S.","Synthesis, structural properties and reactivity of ruthenocene-based pincer Pd(ii) tetrahydroborate.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12720","12729","10.1039/c9dt02176k","","","0.71073","MoKα","","0.0361","0.0309","","","0.0574","0.0591","","","","","","1.195","","","","has coordinates","223990","2020-10-21","18:00:00",""
"7700678","14.0995","0.0009","19.716","0.0013","15.7422","0.001","90","","110.487","0.0012","90","","4099.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 O3 P2 Pd Ru -","- C41 H60 O3 P2 Pd Ru -","- C164 H240 O12 P8 Pd4 Ru4 -","4","1","","Safronov, Sergey V.; Gutsul, Evgenii I.; Golub, Igor E.; Dolgushin, Fedor M.; Nelubina, Yulia V.; Filippov, Oleg A.; Epstein, Lina M.; Peregudov, Alexander S.; Belkova, Natalia V.; Shubina, Elena S.","Synthesis, structural properties and reactivity of ruthenocene-based pincer Pd(ii) tetrahydroborate.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12720","12729","10.1039/c9dt02176k","","","0.71073","MoKα","","0.0393","0.0317","","","0.0721","0.0763","","","","","","1.056","","","","has coordinates","223990","2020-10-21","18:00:00",""
"7700679","9.892","0.0005","12.0215","0.0006","15.1339","0.0007","109.11","0.001","105.389","0.001","96.936","0.001","1596.37","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H51 O2 P2 Pd Ru -","- C32 H51 O2 P2 Pd Ru -","- C64 H102 O4 P4 Pd2 Ru2 -","2","1","","Safronov, Sergey V.; Gutsul, Evgenii I.; Golub, Igor E.; Dolgushin, Fedor M.; Nelubina, Yulia V.; Filippov, Oleg A.; Epstein, Lina M.; Peregudov, Alexander S.; Belkova, Natalia V.; Shubina, Elena S.","Synthesis, structural properties and reactivity of ruthenocene-based pincer Pd(ii) tetrahydroborate.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12720","12729","10.1039/c9dt02176k","","","0.71073","MoKα","","0.0496","0.0352","","","0.0697","0.0764","","","","","","1.002","","","","has coordinates","223990","2020-10-21","18:00:00",""
"7700680","14.6724","0.0011","15.4144","0.0011","20.2741","0.0015","99.897","0.001","99.733","0.001","99.872","0.001","4356.1","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H102 B2 F24 O4 P4 Pd2 Ru2 -","- C68 H102 B2 F24 O4 P4 Pd2 Ru2 -","- C136 H204 B4 F48 O8 P8 Pd4 Ru4 -","2","1","","Safronov, Sergey V.; Gutsul, Evgenii I.; Golub, Igor E.; Dolgushin, Fedor M.; Nelubina, Yulia V.; Filippov, Oleg A.; Epstein, Lina M.; Peregudov, Alexander S.; Belkova, Natalia V.; Shubina, Elena S.","Synthesis, structural properties and reactivity of ruthenocene-based pincer Pd(ii) tetrahydroborate.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12720","12729","10.1039/c9dt02176k","","","0.71073","MoKα","","0.0527","0.0465","","","0.1545","0.1634","","","","","","1.147","","","","has coordinates,has disorder","223990","2020-10-21","18:00:00",""
"7700681","12.3743","0.0015","9.5728","0.0012","8.4609","0.001","90","","90","","90","","1002.3","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Br S4 -","- Al Ba3 Br S4 -","- Al4 Ba12 Br4 S16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0339","0.0325","","","0.0911","0.0919","","","","","","1.091","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700682","12.574","0.003","9.858","0.002","8.827","0.002","90","","90","","90","","1094.1","0.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Br Se4 -","- Al Ba3 Br Se4 -","- Al4 Ba12 Br4 Se16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0333","0.0254","","","0.0562","0.0599","","","","","","1.059","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700683","12.2257","0.0011","9.5329","0.0009","8.4343","0.0008","90","","90","","90","","982.99","0.16","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Cl S4 -","- Al Ba3 Cl S4 -","- Al4 Ba12 Cl4 S16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0159","0.0149","","","0.0318","0.0324","","","","","","1.143","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700684","12.6532","0.0018","9.8696","0.0014","8.7452","0.0012","90","","90","","90","","1092.1","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ba3 Cl Se4 -","- Al Ba3 Cl Se4 -","- Al4 Ba12 Cl4 Se16 -","4","0.5","","Tudi, Abudukadi; Han, Shujuan; Abudurusuli, Ailijiang; Yu, Haohai; Yang, Zhihua; Pan, Shilie","Structural modulation induced by M<sup>IIIA</sup> metals in Ba<sub>3</sub>MQ<sub>4</sub>X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12713","12719","10.1039/c9dt01833f","","","0.71073","MoKα","","0.0215","0.0186","","","0.0393","0.0402","","","","","","1.069","","","","has coordinates","223984","2020-10-21","18:00:00",""
"7700685","8.4886","0.0008","19.7601","0.0019","16.189","0.0012","90","","118.595","0.004","90","","2384.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Ag Cl N4 -","- C22 H34 Ag Cl N4 -","- C88 H136 Ag4 Cl4 N16 -","4","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0552","0.0318","","","0.0643","0.0734","","","","","","1.01","","","","has coordinates","224519","2020-10-21","18:00:00",""
"7700686","15.7098","0.0008","8.6227","0.0002","22.1783","0.001","90","","119.744","0.003","90","","2608.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 Cu4 I4 N8 -","- C44 H68 Cu4 I4 N8 -","- C88 H136 Cu8 I8 N16 -","2","0.5","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.102","0.0555","","","0.1164","0.1559","","","","","","1.096","","","","has coordinates","224519","2020-10-21","18:00:00",""
"7700687","12.6898","0.0004","12.7224","0.0004","20.949","0.0006","90","","119.931","0.002","90","","2931.02","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B2 F8 N5 Ni -","- C24 H37 B2 F8 N5 Ni -","- C96 H148 B8 F32 N20 Ni4 -","4","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0739","0.0437","","","0.1014","0.1154","","","","","","1.015","","","","has coordinates","224519","2020-10-21","18:00:00",""
"7700688","11.5696","0.0005","11.3251","0.0005","17.3683","0.0008","90","","91.489","0.001","90","","2274.95","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cl Cu N4 -","- C21 H32 Cl Cu N4 -","- C84 H128 Cl4 Cu4 N16 -","4","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0614","0.0399","","","0.0903","0.0984","","","","","","1.029","","","","has coordinates,has disorder","224519","2020-10-21","18:00:00",""
"7700689","10.1636","0.0005","10.9789","0.0005","17.072","0.0009","107.661","0.001","92.208","0.001","100.578","0.001","1775.3","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H54 B F4 Ir N4 O -","- C34 H54 B F4 Ir N4 O -","- C68 H108 B2 F8 Ir2 N8 O2 -","2","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0297","0.0257","","","0.0629","0.0647","","","","","","1.092","","","","has coordinates","224519","2020-10-21","18:00:00",""
"7700690","9.276","0.001","10.6492","0.0012","15.4308","0.0017","94.943","0.002","105.109","0.002","96.726","0.002","1450.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H32 Cl3 Cr N4 -","- C21 H32 Cl3 Cr N4 -","- C42 H64 Cl6 Cr2 N8 -","2","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0978","0.0507","","","0.1081","0.1184","","","","","","0.961","","","","has coordinates","224519","2020-10-21","18:00:00",""
"7700691","8.4032","0.0004","11.1493","0.0005","16.7862","0.0007","105.21","0.001","104.489","0.001","96.004","0.001","1444.74","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Cl Ir N4 -","- C30 H46 Cl Ir N4 -","- C60 H92 Cl2 Ir2 N8 -","2","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0254","0.0199","","","0.0424","0.0441","","","","","","1.068","","","","has coordinates","224519","2020-10-21","18:00:00",""
"7700692","11.6017","0.0004","18.8201","0.0007","32.9818","0.0011","90","","90","","90","","7201.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H50 Cl3 Cr N4 -","- C36 H50 Cl3 Cr N4 -","- C288 H400 Cl24 Cr8 N32 -","8","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0861","0.0502","","","0.1003","0.112","","","","","","1.022","","","","has coordinates,has disorder","224519","2020-10-21","18:00:00",""
"7700693","11.4095","0.0006","17.4206","0.0007","14.326","0.0006","90","","112.581","0.006","90","","2629.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Ge N2 P2 -","- C25 H42 Ge N2 P2 -","- C100 H168 Ge4 N8 P8 -","4","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; Laglera-Gándara, Carlos J","A dipyrromethane-based diphosphane-germylene as precursor to tetrahedral copper(i) and T-shaped silver(i) and gold(i) PGeP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13273","13280","10.1039/c9dt03045j","","","1.5418","CuKα","","0.0661","0.0437","","","0.1163","0.129","","","","","","1.139","","","","has coordinates","224509","2020-10-21","18:00:00",""
"7700694","15.9072","0.0002","13.5272","0.0002","19.6745","0.0002","90","","92.328","0.001","90","","4230.06","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Cl Cu Ge N2 P3 -","- C43 H57 Cl Cu Ge N2 P3 -","- C172 H228 Cl4 Cu4 Ge4 N8 P12 -","4","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; Laglera-Gándara, Carlos J","A dipyrromethane-based diphosphane-germylene as precursor to tetrahedral copper(i) and T-shaped silver(i) and gold(i) PGeP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13273","13280","10.1039/c9dt03045j","","","1.5418","CuKα","","0.0336","0.0281","","","0.0689","0.0721","","","","","","1.037","","","","has coordinates","224509","2020-10-21","18:00:00",""
"7700695","11.156","0.005","11.334","0.005","13.448","0.005","91.841","0.005","109.257","0.005","92.64","0.005","1601.5","1.2","152","2","152","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H42 Ag Cl3 D2 Ge N2 P2 -","- C26 H44 Ag Cl3 Ge N2 P2 -","- C52 H88 Ag2 Cl6 Ge2 N4 P4 -","2","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; Laglera-Gándara, Carlos J","A dipyrromethane-based diphosphane-germylene as precursor to tetrahedral copper(i) and T-shaped silver(i) and gold(i) PGeP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13273","13280","10.1039/c9dt03045j","","","1.5418","CuKα","","0.0377","0.0353","","","0.0905","0.0928","","","","","","1.037","","","","has coordinates","224509","2020-10-21","18:00:00",""
"7700696","11.1202","0.0009","11.3734","0.0009","13.3691","0.0011","91.388","0.004","109.574","0.004","92.995","0.004","1589.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 Au Cl3 Ge N2 P2 -","- C26 H44 Au Cl3 Ge N2 P2 -","- C52 H88 Au2 Cl6 Ge2 N4 P4 -","2","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; Laglera-Gándara, Carlos J","A dipyrromethane-based diphosphane-germylene as precursor to tetrahedral copper(i) and T-shaped silver(i) and gold(i) PGeP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13273","13280","10.1039/c9dt03045j","","","0.71073","MoKα","","0.0244","0.0235","","","0.0683","0.0742","","","","","","1.184","","","","has coordinates","224509","2020-10-21","18:00:00",""
"7700697","9.9018","0.001","12.9988","0.0014","13.0338","0.0013","71.275","0.002","71.686","0.002","72.474","0.002","1470.4","0.3","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cu Mo12 N8 O42 P -","- C24 H46 Cu Mo12 N8 O42 P -","- C24 H46 Cu Mo12 N8 O42 P -","1","0.5","","Chai, Dongfeng; Xin, Jianjiao; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Li, Kunqi; Xiao, Boxin; Wang, Xinming; Tan, Lichao","Mo-Based crystal POMOFs with a high electrochemical capacitor performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13026","13033","10.1039/c9dt02420d","","","0.71","MoKα","","0.0369","0.0325","","","0.0745","0.0769","","","","","","1.04","","","","has coordinates","224511","2020-10-21","18:00:00",""
"7700698","10.953","0.006","15.982","0.008","24.08","0.01","90","","107.46","0.02","90","","4021","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Cu2 Mo12 N24 O39 P -","- C48 H48 Cu2 Mo12 N24 O39 P -","- C96 H96 Cu4 Mo24 N48 O78 P2 -","2","0.5","","Chai, Dongfeng; Xin, Jianjiao; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Li, Kunqi; Xiao, Boxin; Wang, Xinming; Tan, Lichao","Mo-Based crystal POMOFs with a high electrochemical capacitor performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13026","13033","10.1039/c9dt02420d","","","0.71","MoKα","","0.1111","0.0608","","","0.1333","0.1535","","","","","","1.032","","","","has coordinates","224511","2020-10-21","18:00:00",""
"7700699","6.9647","0.0014","15.719","0.003","7.2042","0.0014","90","","92.76","0.03","90","","787.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca H I3 O9 -","- Ca H I3 O9 -","- Ca4 H4 I12 O36 -","4","1","","An, Yawen; Zhong, Yang; Sun, Tongqing; Wang, Haijun; Hu, Zhenpeng; Liu, Hongde; Liu, Shiguo; Kong, Yongfa; Xu, Jingjun","Synthesis, structure and characterization of M(IO<sub>3</sub>)<sub>2</sub>(HIO<sub>3</sub>) (M = Ca, Sr) as new anhydrous alkaline earth metal bis-iodate hydrogeniodate compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13074","13080","10.1039/c9dt02575h","","","0.71073","MoKα","","0.0358","0.0346","","","0.0843","0.085","","","","","","1.217","","","","has coordinates","224514","2020-10-21","18:00:00",""
"7700700","7.0697","0.0014","15.986","0.003","7.3802","0.0015","90","","93.13","0.03","90","","832.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H I3 O9 Sr -","- H I3 O9 Sr -","- H4 I12 O36 Sr4 -","4","1","","An, Yawen; Zhong, Yang; Sun, Tongqing; Wang, Haijun; Hu, Zhenpeng; Liu, Hongde; Liu, Shiguo; Kong, Yongfa; Xu, Jingjun","Synthesis, structure and characterization of M(IO<sub>3</sub>)<sub>2</sub>(HIO<sub>3</sub>) (M = Ca, Sr) as new anhydrous alkaline earth metal bis-iodate hydrogeniodate compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13074","13080","10.1039/c9dt02575h","","","0.71073","MoKα","","0.0471","0.0438","","","0.1003","0.1024","","","","","","1.161","","","","has coordinates","224514","2020-10-21","18:00:00",""
"7700701","11.3288","0.0007","30.4681","0.0012","7.9355","0.0004","90","","109.536","0.006","90","","2581.4","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 Cl F3 N3 O3 Pt S3 -","- C26 H15 Cl F3 N3 O3 Pt S3 -","- C104 H60 Cl4 F12 N12 O12 Pt4 S12 -","4","1","","Choroba, Katarzyna; Machura, Barbara; Raposo, Luis R.; Małecki, Jan G; Kula, Slawomir; Pająk, Michał; Erfurt, Karol; Maroń, Anna M; Fernandes, Alexandra R.","Platinum(ii) complexes showing high cytotoxicity toward A2780 ovarian carcinoma cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13081","13093","10.1039/c9dt02894c","","x-ray","0.71073","MoKα","","0.0541","0.0434","","","0.0993","0.1033","","","","","","1.098","","","","has coordinates","224520","2020-10-21","18:00:00",""
"7700702","14.0073","0.0009","9.6629","0.0007","14.7314","0.001","90","","117.874","0.002","90","","1762.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-OH","","","- C19 H12 Br Mn N2 O4 -","- C19 H12 Br Mn N2 O4 -","- C76 H48 Br4 Mn4 N8 O16 -","4","1","","Tignor, Steven E.; Shaw, Travis W.; Bocarsly, Andrew B.","Elucidating the origins of enhanced CO<sub>2</sub> reduction in manganese electrocatalysts bearing pendant hydrogen-bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12730","12737","10.1039/c9dt02060h","","","0.71073","MoKα","","0.0279","0.022","","","0.0546","0.0566","","","","","","1.053","","","","has coordinates","223986","2020-10-21","18:00:00",""
"7700703","26.7689","0.0016","8.7144","0.0006","18.1821","0.0011","90","","120.886","0.0018","90","","3639.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5-OH","","","- C19 H12 Br Mn N2 O4 -","- C19 H12 Br Mn N2 O4 -","- C152 H96 Br8 Mn8 N16 O32 -","8","1","","Tignor, Steven E.; Shaw, Travis W.; Bocarsly, Andrew B.","Elucidating the origins of enhanced CO<sub>2</sub> reduction in manganese electrocatalysts bearing pendant hydrogen-bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12730","12737","10.1039/c9dt02060h","","","0.71073","MoKα","","0.0272","0.0225","","","0.0569","0.0587","","","","","","1.066","","","","has coordinates","223986","2020-10-21","18:00:00",""
"7700704","8.9756","0.0003","12.4952","0.0004","9.3428","0.0003","90","","108.347","0.002","90","","994.55","0.06","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 Cl2 N4 O Se2 -","- C18 H20 Cl2 N4 O Se2 -","- C36 H40 Cl4 N8 O2 Se4 -","2","1","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0602","0.0356","","","0.0583","0.0635","","","","","","0.995","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700705","10.353","0.002","7.3989","0.0017","33.631","0.007","90","","93.402","0.005","90","","2571.6","0.9","446","2","446.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 B2 F8 N5 Se2 -","- C22 H19 B2 F8 N5 Se2 -","- C88 H76 B8 F32 N20 Se8 -","4","1","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0858","0.0468","","","0.0947","0.1058","","","","","","1.009","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700706","6.4979","0.0003","11.9131","0.0006","14.6745","0.0008","90","","97.399","0.003","90","","1126.5","0.1","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 B2 F8 N4 Se2 -","- C20 H16 B2 F8 N4 Se2 -","- C40 H32 B4 F16 N8 Se4 -","2","0.5","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0411","0.0294","","","0.0703","0.0744","","","","","","1.021","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700707","7.624","0.002","7.942","0.002","18.27","0.005","77.649","0.005","83.56","0.005","71.357","0.004","1022.8","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cl2.5 N4 O4 Se2 -","- C14 H20 Cl2.5 N4 O4 Se2 -","- C28 H40 Cl5 N8 O8 Se4 -","2","1","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0699","0.0564","","","0.1387","0.1459","","","","","","1.068","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700708","8.3966","0.0016","11.3","0.002","11.9466","0.0019","90.953","0.003","90.846","0.004","94.122","0.004","1130.3","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 F6 N4 O6 S2 Se2 -","- C16 H12 F6 N4 O6 S2 Se2 -","- C32 H24 F12 N8 O12 S4 Se4 -","2","1","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0388","0.0252","","","0.0562","0.0592","","","","","","1.016","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700709","11.9799","0.0002","29.8901","0.0006","6.6354","0.0001","90","","93.94","0.001","90","","2370.39","0.07","100","2","99.95","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F6 N4 O6 S2 Se2 -","- C17 H14 F6 N4 O6 S2 Se2 -","- C68 H56 F24 N16 O24 S8 Se8 -","4","1","","Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio","Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12541","12548","10.1039/c9dt02311a","","","0.71073","MoKα","","0.0325","0.0281","","","0.0655","0.0669","","","","","","1.115","","","","has coordinates","223974","2020-10-21","18:00:00",""
"7700710","12.7108","0.0001","12.4777","0.0001","16.4443","0.0002","90","","98.012","0.001","90","","2582.63","0.04","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F6 N4 O7 S2 -","- C20 H22 F6 N4 O7 S2 -","- C80 H88 F24 N16 O28 S8 -","4","1","","Zafar, Muhammad Naveed; Masood, Sara; Chaudhry, Gul-E-Saba; Muhammad, Tengku Sifzizul Tengku; Dalebrook, Andrew Francis; Nazar, Muhammad Faizan; Malik, Fouzia Perveen; Mughal, Ehsan Ullah; Wright, Leonard James","Synthesis, characterization and anti-cancer properties of water-soluble bis(PYE) pro-ligands and derived palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15408","15418","10.1039/c9dt01923e","","","0.71073","MoKα","","0.0432","0.0356","","","0.0883","0.0935","","","","","","1.051","","","","has coordinates","223904","2020-10-21","18:00:00",""
"7700711","9.609","0.005","13.66","0.005","15.003","0.005","106.473","0.005","93.89","0.005","101.967","0.005","1830.5","1.3","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35.5 F6 N8 O7.5 Pd S2 -","- C30 H35.34 F6 N8 O7.5 Pd S2 -","- C60 H70.68 F12 N16 O15 Pd2 S4 -","2","1","","Zafar, Muhammad Naveed; Masood, Sara; Chaudhry, Gul-E-Saba; Muhammad, Tengku Sifzizul Tengku; Dalebrook, Andrew Francis; Nazar, Muhammad Faizan; Malik, Fouzia Perveen; Mughal, Ehsan Ullah; Wright, Leonard James","Synthesis, characterization and anti-cancer properties of water-soluble bis(PYE) pro-ligands and derived palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15408","15418","10.1039/c9dt01923e","","","0.71073","MoKα","","0.0679","0.0492","","","0.1226","0.1349","","","","","","1.031","","","","has coordinates,has disorder","223904","2020-10-21","18:00:00",""
"7700712","11.1143","0.0003","18.9059","0.0005","10.9462","0.0003","90","","105.989","0.002","90","","2211.1","0.11","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F6 N4 O6 S2 -","- C16 H20 F6 N4 O6 S2 -","- C64 H80 F24 N16 O24 S8 -","4","1","","Zafar, Muhammad Naveed; Masood, Sara; Chaudhry, Gul-E-Saba; Muhammad, Tengku Sifzizul Tengku; Dalebrook, Andrew Francis; Nazar, Muhammad Faizan; Malik, Fouzia Perveen; Mughal, Ehsan Ullah; Wright, Leonard James","Synthesis, characterization and anti-cancer properties of water-soluble bis(PYE) pro-ligands and derived palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15408","15418","10.1039/c9dt01923e","","","0.71073","MoKα","","0.0496","0.0353","","","0.0819","0.0889","","","","","","1.031","","","","has coordinates","223904","2020-10-21","18:00:00",""
"7700713","16.6423","0.0005","9.0277","0.0003","16.9746","0.0005","90","","115.658","0.001","90","","2298.82","0.12","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B3 I3 O13 Pb10 -","- B3 I3 O13 Pb10 -","- B12 I12 O52 Pb40 -","4","1","","Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng","Pb<sub>10</sub>O<sub>4</sub>(BO<sub>3</sub>)<sub>3</sub>I<sub>3</sub>: a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14996","15001","10.1039/c9dt02579k","","","0.71073","MoKα","","0.0261","0.0247","","","0.0553","0.0559","","","","","","1.043","","","","has coordinates","224243","2020-10-21","18:00:00",""
"7700714","7.5258","0.0002","9.323","0.0003","10.6602","0.0004","89.771","0.002","80.615","0.002","66.6289","0.0018","675.87","0.04","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 N8 Ni -","- C28 H40 B2 N8 Ni -","- C28 H40 B2 N8 Ni -","1","0.5","","Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian","Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13242","13247","10.1039/c9dt02287b","","","0.71073","MoKα","","0.0479","0.035","","","0.0821","0.0882","","","","","","1.052","","","","has coordinates","224501","2020-10-21","18:00:00",""
"7700715","7.5038","0.0005","9.7847","0.0005","11.3835","0.0006","87.799","0.004","79.365","0.005","68.035","0.006","761.39","0.08","295.2","0.4","295.2","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 B2 N8 Ni -","- C32 H48 B2 N8 Ni -","- C32 H48 B2 N8 Ni -","1","0.5","","Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian","Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13242","13247","10.1039/c9dt02287b","","x-ray","1.54184","CuKα","","0.0542","0.0464","","","0.1178","0.1239","","","","","","1.03","","","","has coordinates","224501","2020-10-21","18:00:00",""
"7700716","11.1521","0.0002","19.2678","0.0003","18.7249","0.0002","90","","102.221","0.001","90","","3932.36","0.1","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 B2 Br4 N8 Ni -","- C35 H51 B2 Br4 N8 Ni -","- C140 H204 B8 Br16 N32 Ni4 -","4","1","","Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian","Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13242","13247","10.1039/c9dt02287b","","x-ray","1.54184","CuKα","","0.0436","0.0382","","","0.0923","0.0955","","","","","","1.079","","","","has coordinates","224501","2020-10-21","18:00:00",""
"7700717","8.8173","0.0004","24.0412","0.001","15.2894","0.0009","90","","96.95","0.004","90","","3217.2","0.3","293.99","0.18","293.99","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 B2 N8 Ni -","- C32 H48 B2 N8 Ni -","- C128 H192 B8 N32 Ni4 -","4","1","","Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian","Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13242","13247","10.1039/c9dt02287b","","x-ray","0.71073","MoKα","","0.0607","0.0455","","","0.132","0.1429","","","","","","0.959","","","","has coordinates","224501","2020-10-21","18:00:00",""
"7700718","11.0018","0.0001","10.8736","0.0002","34.0677","0.0003","90","","90.903","0.001","90","","4074.98","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H65 B2 N8 Ni O -","- C40 H66 B2 N8 Ni O -","- C160 H264 B8 N32 Ni4 O4 -","4","1","","Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian","Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13242","13247","10.1039/c9dt02287b","","x-ray","1.54184","CuKα","","0.0901","0.0621","","","0.1687","0.1869","","","","","","1.018","","","","has coordinates","224501","2020-10-21","18:00:00",""
"7700719","11.7332","0.0009","13.0684","0.0008","13.1512","0.0007","84.61","0.005","88.522","0.005","69.276","0.007","1877.7","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 N5 O11 Zn2 -","- C37 H39 N5 O11 Zn2 -","- C74 H78 N10 O22 Zn4 -","2","1","","Kumar, Trivender; Venkateswarulu, M.; Das, Bidisa; Halder, Aditi; Koner, Rik Rani","Zn(ii)-based coordination polymer: An emissive signaling platform for the recognition of an explosive and a pesticide in an aqueous system.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12382","12385","10.1039/c9dt02224d","","x-ray","1.54184","CuKα","","0.1091","0.0839","","","0.2212","0.2481","","","","","","1.041","","","","has coordinates","223976","2020-10-21","18:00:00",""
"7700721","7.3061","0.0004","8.0232","0.0005","13.652","0.0011","74.747","0.006","78.582","0.005","80.791","0.005","751.84","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 F6 Mn N8 O4 P -","- C22 H38 F6 Mn N8 O4 P -","- C22 H38 F6 Mn N8 O4 P -","1","0.5","","Lecourt, Constance; Madanamoothoo, Warren; Ferreol, Vivian; Bélanger-Desmarais, Nicolas; Khrouz, Lhoussain; Tommasino, Jean-Bernard; Reber, Christian; Desroches, Cédric; Luneau, Dominique","Mononuclear manganese(iii) complexes with reduced imino nitroxide radicals by single-electron transfer and intermolecular hydrogen bonds as an intramolecular structural driving force.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13378","13387","10.1039/c9dt02158b","","","0.71073","MoKα","","0.0543","0.0425","","","","0.1113","","","","","","1.048","","","","has coordinates","224500","2020-10-21","18:00:00",""
"7700722","7.2158","0.0003","15.3124","0.001","27.3569","0.0015","90","","94.784","0.005","90","","3012.2","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cl Mn N8 O9 -","- C22 H40 Cl Mn N8 O9 -","- C88 H160 Cl4 Mn4 N32 O36 -","4","1","","Lecourt, Constance; Madanamoothoo, Warren; Ferreol, Vivian; Bélanger-Desmarais, Nicolas; Khrouz, Lhoussain; Tommasino, Jean-Bernard; Reber, Christian; Desroches, Cédric; Luneau, Dominique","Mononuclear manganese(iii) complexes with reduced imino nitroxide radicals by single-electron transfer and intermolecular hydrogen bonds as an intramolecular structural driving force.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13378","13387","10.1039/c9dt02158b","","x-ray","0.71073","MoKα","","0.1053","0.0622","","","0.1411","0.1677","","","","","","0.943","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7700723","11.6015","0.0005","16.2765","0.0008","15.7772","0.0008","90","","108.453","0.002","90","","2826.1","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Dy2 F4 I2 N8 O6 -","- C56 H56 Dy2 F4 I2 N8 O6 -","- C112 H112 Dy4 F8 I4 N16 O12 -","2","0.5","","Ma, Xiufang; Chen, Bingbing; Zhang, Yi-Quan; Yang, Jinhui; Shi, Quan; Ma, Yulong; Liu, Xiangyu","Enhancing single-molecule magnet behaviour through decorating terminal ligands in Dy<sub>2</sub> compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12622","12631","10.1039/c9dt02758k","","","0.71073","MoKα","","0.0583","0.0334","","","0.064","0.0725","","","","","","1.044","","","","has coordinates","223977","2020-10-21","18:00:00",""
"7700724","11.8909","0.0008","17.032","0.0009","15.4647","0.001","90","","107.506","0.002","90","","2986.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56.97 Cl4 Dy2 I2 N8 O6.48 -","- C56 H56.96 Cl4 Dy2 I2 N8 O6.48 -","- C112 H113.92 Cl8 Dy4 I4 N16 O12.96 -","2","0.5","","Ma, Xiufang; Chen, Bingbing; Zhang, Yi-Quan; Yang, Jinhui; Shi, Quan; Ma, Yulong; Liu, Xiangyu","Enhancing single-molecule magnet behaviour through decorating terminal ligands in Dy<sub>2</sub> compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12622","12631","10.1039/c9dt02758k","","","0.71073","MoKα","","0.0968","0.0495","","","0.0846","0.0998","","","","","","1.027","","","","has coordinates","223977","2020-10-21","18:00:00",""
"7700725","22.1137","0.0012","6.2974","0.0003","13.9172","0.0008","90","","100.928","0.005","90","","1902.95","0.18","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Cu2 N4 O9 -","- C14 H26 Cu2 N4 O9 -","- C56 H104 Cu8 N16 O36 -","4","0.5","","Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui","Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13388","13395","10.1039/c9dt02355k","","","0.71073","MoKα","","0.0413","0.0331","","","0.0679","0.071","","","","","","1.06","","","","has coordinates","224491","2020-10-21","18:00:00",""
"7700726","7.8006","0.0017","12.011","0.003","13.142","0.002","66.43","0.019","80.613","0.016","81.048","0.019","1107.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H57.94 Cu2 N4 Na4 O36.97 -","- C20 H57.9452 Cu2 N4 Na4 O36.9726 -","- C20 H57.9452 Cu2 N4 Na4 O36.9726 -","1","0.5","","Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui","Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13388","13395","10.1039/c9dt02355k","","","0.71073","MoKα","","0.0831","0.057","","","0.1071","0.1216","","","","","","1.033","","","","has coordinates,has disorder","224491","2020-10-21","18:00:00",""
"7700727","12.5779","0.0008","6.4156","0.0004","12.5008","0.0009","90","","106.73","0.007","90","","966.05","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl Cu K N O6 -","- C4 H9 Cl Cu K N O6 -","- C16 H36 Cl4 Cu4 K4 N4 O24 -","4","1","","Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui","Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13388","13395","10.1039/c9dt02355k","","","0.71073","MoKα","","0.0702","0.0477","","","0.0815","0.0922","","","","","","1.039","","","","has coordinates","224491","2020-10-21","18:00:00",""
"7700728","7.1143","0.0004","16.6561","0.001","23.7391","0.0013","90","","90","","90","","2813","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H15 Cu K N2 O9 -","- C10 H15 Cu K N2 O9 -","- C80 H120 Cu8 K8 N16 O72 -","8","1","","Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui","Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13388","13395","10.1039/c9dt02355k","","","0.71073","MoKα","","0.1022","0.0683","","","0.1567","0.1768","","","","","","1.007","","","","has coordinates","224491","2020-10-21","18:00:00",""
"7700729","12.9325","0.0011","13.1643","0.0012","15.1474","0.0014","75.231","0.008","65.229","0.009","77.057","0.008","2243.9","0.4","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H106 Cl2 Cu4 N8 Na10 O65 -","- C44 H106 Cl2 Cu4 N8 Na10 O64.9998 -","- C44 H106 Cl2 Cu4 N8 Na10 O64.9998 -","1","0.5","","Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui","Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13388","13395","10.1039/c9dt02355k","","","0.71073","MoKα","","0.1413","0.0815","","","0.2102","0.2655","","","","","","1.024","","","","has coordinates,has disorder","224491","2020-10-21","18:00:00",""
"7700730","19.7743","0.0019","13.4867","0.0013","20.419","0.002","90","","118.011","0.005","90","","4807.6","0.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 B F15 N3 Ni O P2 -","- C45 H53 B F15 N3 Ni O P2 -","- C180 H212 B4 F60 N12 Ni4 O4 P8 -","4","1","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0452","0.0356","","","0.0898","0.096","","","","","","1.079","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700731","8.583","0.003","17.582","0.006","23.182","0.008","97.043","0.011","90.899","0.011","91.22","0.011","3471","2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H52 F3 N3 Ni O3 P2 S -","- C28 H52 F3 N3 Ni O3 P2 S -","- C112 H208 F12 N12 Ni4 O12 P8 S4 -","4","2","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0566","0.0419","","","0.1102","0.1198","","","","","","1.033","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700732","8.1326","0.0009","13.9489","0.0016","16.976","0.002","85.827","0.007","77.363","0.005","83.125","0.005","1863.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H54 F3 N3 Ni O3 P2 S -","- C31 H54 F3 N3 Ni O3 P2 S -","- C62 H108 F6 N6 Ni2 O6 P4 S2 -","2","1","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.047","0.0397","","","0.1027","0.1096","","","","","","1.052","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700733","16.2124","0.0013","15.9077","0.0014","26.36","0.002","90","","95.74","0.003","90","","6764.2","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 F3 N3 Ni O3 P2 S -","- C26 H50 F3 N3 Ni O3 P2 S -","- C208 H400 F24 N24 Ni8 O24 P16 S8 -","8","2","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0529","0.0413","","","0.1067","0.1141","","","","","","1.035","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700734","18.9717","0.0011","16.9554","0.0008","23.077","0.0013","90","","90","","90","","7423.2","0.7","120.01","","120.01","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","Orthorhombic","","- C31 H60 F3 N3 Ni O3 P2 S -","- C31 H60 F3 N3 Ni O3 P2 S -","- C248 H480 F24 N24 Ni8 O24 P16 S8 -","8","1","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0883","0.0583","","","0.1518","0.1736","","","","","","1.051","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700735","9.383","0.0012","15.396","0.002","18.138","0.002","83.562","0.004","87.383","0.004","86.027","0.004","2595.5","0.6","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","Triclinic","","- C45 H55 B F15 N3 Ni O P2 -","- C45 H55 B F15 N3 Ni O P2 -","- C90 H110 B2 F30 N6 Ni2 O2 P4 -","2","1","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0455","0.0392","","","0.1008","0.1051","","","","","","1.071","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700736","15.1132","0.0018","12.964","0.0017","19.891","0.003","90","","110.086","0.003","90","","3660.2","0.9","120","2","120.04","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H57 F3 N3 Ni O3 P2 S -","- C31 H57 F3 N3 Ni O3 P2 S -","- C124 H228 F12 N12 Ni4 O12 P8 S4 -","4","1","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0352","0.0279","","","0.0697","0.0736","","","","","","1.046","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700737","7.7287","0.0003","14.2823","0.0007","18.7465","0.0009","90","","97.268","0.004","90","","2052.68","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl2 Cu N4 -","- C24 H16 Cl2 Cu N4 -","- C96 H64 Cl8 Cu4 N16 -","4","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0466","0.0323","","","0.0725","0.0776","","","","","","1.026","","","","has coordinates","223985","2020-10-21","18:00:00",""
"7700738","13.4958","0.0006","12.6508","0.0006","25.5678","0.001","90","","101.202","0.005","90","","4282.1","0.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 Cl2 Cu N6 O -","- C22 H16 Cl2 Cu N6 O -","- C176 H128 Cl16 Cu8 N48 O8 -","8","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0485","0.0357","","","0.0876","0.0926","","","","","","1.077","","","","has coordinates,has disorder","223985","2020-10-21","18:00:00",""
"7700739","7.8743","0.0003","10.5456","0.0007","13.8368","0.0009","97.81","0.005","96.724","0.004","93.962","0.004","1126.28","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl2 Cu N6 O -","- C23 H18 Cl2 Cu N6 O -","- C46 H36 Cl4 Cu2 N12 O2 -","2","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0439","0.0328","","","0.0759","0.081","","","","","","1.049","","","","has coordinates","223985","2020-10-21","18:00:00",""
"7700740","23.3543","0.0015","11.0536","0.0006","7.7194","0.0004","90","","90","","90","","1992.8","0.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H12 Cl2 Cu N4 S2 -","- C20 H12 Cl2 Cu N4 S2 -","- C80 H48 Cl8 Cu4 N16 S8 -","4","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0338","0.0284","","","0.0609","0.064","","","","","","1.046","","","","has coordinates","223985","2020-10-21","18:00:00",""
"7700741","7.9474","0.0005","22.7151","0.0011","11.6628","0.0006","90","","92.888","0.006","90","","2102.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cl2 Cu N4 -","- C24 H16 Cl2 Cu N4 -","- C96 H64 Cl8 Cu4 N16 -","4","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.1058","0.0629","","","0.1201","0.131","","","","","","1.069","","","","has coordinates","223985","2020-10-21","18:00:00",""
"7700742","7.8923","0.0005","11.3108","0.0001","13.6","0.0014","71.716","0.009","74.885","0.007","87.322","0.006","1112.06","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N4 O3 S2 -","- C20 H18 Cl2 Cu N4 O3 S2 -","- C40 H36 Cl4 Cu2 N8 O6 S4 -","2","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0794","0.049","","","0.1171","0.147","","","","","","1.033","","","","has coordinates","223985","2020-10-21","18:00:00",""
"7700743","7.9377","0.0011","11.1851","0.0016","12.3025","0.0018","81.951","0.002","83.335","0.002","85.737","0.002","1072.3","0.3","90","2","90","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H18 B2 F8 N7 O Pd -","- C17 H18 B2 F8 N7 O Pd -","- C34 H36 B4 F16 N14 O2 Pd2 -","2","1","","Sanz, Corey A.; Patrick, Brian O.; Hicks, Robin G.","Synthesis and redox chemistry of Pd(ii) complexes of a pincer verdazyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12674","12683","10.1039/c9dt02549a","","","0.71073","MoKα","","0.0485","0.0381","","","0.091","0.0962","","","","","","1.068","","","","has coordinates","223988","2020-10-21","18:00:00",""
"7700744","7.0857","0.0004","14.7257","0.0009","21.1621","0.0013","82.339","0.003","82.935","0.003","77.558","0.003","2126.8","0.2","90","2","90","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H18 B F4 N7 O Pd -","- C17 H18 B F4 N7 O Pd -","- C68 H72 B4 F16 N28 O4 Pd4 -","4","2","","Sanz, Corey A.; Patrick, Brian O.; Hicks, Robin G.","Synthesis and redox chemistry of Pd(ii) complexes of a pincer verdazyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12674","12683","10.1039/c9dt02549a","","","0.71073","MoKα","","0.0636","0.0552","","","0.1295","0.1331","","","","","","1.064","","","","has coordinates","223988","2020-10-21","18:00:00",""
"7700745","8.7021","0.0004","17.8213","0.0009","10.2618","0.0005","90","","96.061","0.001","90","","1582.53","0.13","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl N6 O Pd -","- C15 H15 Cl N6 O Pd -","- C60 H60 Cl4 N24 O4 Pd4 -","4","1","","Sanz, Corey A.; Patrick, Brian O.; Hicks, Robin G.","Synthesis and redox chemistry of Pd(ii) complexes of a pincer verdazyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12674","12683","10.1039/c9dt02549a","","","0.71073","MoKα","","0.0398","0.0284","","","0.064","0.0689","","","","","","0.927","","","","has coordinates","223988","2020-10-21","18:00:00",""
"7700746","8.6741","0.0004","15.7852","0.0008","14.5177","0.0007","90","","100.721","0.003","90","","1953.1","0.16","90","2","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 B Cl F4 N6 O Pd -","- C15 H15 B Cl F4 N6 O Pd -","- C60 H60 B4 Cl4 F16 N24 O4 Pd4 -","4","1","","Sanz, Corey A.; Patrick, Brian O.; Hicks, Robin G.","Synthesis and redox chemistry of Pd(ii) complexes of a pincer verdazyl ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12674","12683","10.1039/c9dt02549a","","","0.71073","MoKα","","0.0533","0.039","","","0.0901","0.0958","","","","","","1.028","","","","has coordinates","223988","2020-10-21","18:00:00",""
"7700747","10.637","0.014","11.483","0.015","20.41","0.03","102.8","0.04","94.73","0.03","111.41","0.04","2226","5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[GeCl(N3Dmp2)]","","","- C50 H55 Cl Ge N3 O0.5 -","- C50 H55 Cl Ge N3 O0.5 -","- C100 H110 Cl2 Ge2 N6 O -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.1764","0.0892","","","0.2165","0.2772","","","","","","1.039","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700748","10.471","0.003","11.287","0.003","20.411","0.006","94.146","0.008","102.449","0.009","108.763","0.008","2204.1","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[SnCl(N3Dmp2)]","","","- C50 H55 Cl N3 O0.5 Sn -","- C50 H55 Cl N3 O0.5 Sn -","- C100 H110 Cl2 N6 O Sn2 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0683","0.0451","","","0.103","0.1153","","","","","","1.043","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700749","11.0858","0.0009","11.1952","0.0009","19.8902","0.0013","80.214","0.002","78.334","0.003","70.584","0.002","2265.9","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","[InBr2(N3Dmp2)]","","","- C50 H55 Br2 In N3 O0.5 -","- C50 H55 Br2 In N3 O0.5 -","- C100 H110 Br4 In2 N6 O -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0607","0.0371","","","0.0787","0.0863","","","","","","1.009","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700750","10.427","0.0012","11.3856","0.0013","20.013","0.002","104.001","0.003","93.794","0.003","110.694","0.003","2126.3","0.4","150","2","149.9","","","","","","","","","4","P -1","-P 1","2","[GeH(N3Dmp2)]","","","- C51.5 H55 Ge N3 -","- C51.5 H55 Ge N3 -","- C103 H110 Ge2 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.114","0.058","","","0.1384","0.1665","","","","","","1.011","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700751","10.4624","0.0005","11.3645","0.0005","20.093","0.0008","103.836","0.002","94.296","0.002","110.472","0.002","2139.96","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","[GaH2(N3Dmp2)]","","","- C51.5 H56 Ga N3 -","- C51.5 H56 Ga N3 -","- C103 H112 Ga2 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0594","0.0415","","","0.0948","0.1018","","","","","","1.05","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700752","10.5238","0.0004","15.7425","0.0005","51.9642","0.0019","90","","93.14","0.002","90","","8596","0.5","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[InMe2(N3Dmp2)]","","","- C50 H56 In N3 -","- C50 H56 In N3 -","- C400 H448 In8 N24 -","8","2","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0786","0.0476","","","0.096","0.108","","","","","","1.022","","","","has coordinates","224492","2020-10-21","18:00:00",""
"7700753","10.5327","0.0008","15.702","0.0012","51.888","0.004","90","","93.222","0.003","90","","8567.9","1.1","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[TlMe2(N3Dmp2)]","","","- C50 H56 N3 Tl -","- C50 H56 N3 Tl -","- C400 H448 N24 Tl8 -","8","2","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0995","0.0551","","","0.1091","0.1227","","","","","","1.023","","","","has coordinates","224492","2020-10-21","18:00:00",""
"7700754","10.4915","0.0013","11.3426","0.0013","20.245","0.002","103.106","0.003","95.487","0.003","111.383","0.004","2142.3","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","[SnH(N3Dmp2)]","","","- C50 H56 N3 O0.5 Sn -","- C50 H56 N3 O0.5 Sn -","- C100 H112 N6 O Sn2 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.1116","0.0494","","","0.0944","0.114","","","","","","1.007","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700755","10.44","0.002","12.331","0.003","15.978","0.003","89.95","0.02","82.91","0.02","85.68","0.02","2035.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","[AlH2(N3Dmp2)]","","","- C48 H52 Al N3 -","- C48 H52 Al N3 -","- C96 H104 Al2 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.102","0.0527","","","0.1242","0.1451","","","","","","1.014","","","","has coordinates","224492","2020-10-21","18:00:00",""
"7700756","10.729","0.0007","11.7522","0.0008","19.881","0.0014","100.49","0.003","95","0.003","111.394","0.002","2262.5","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","[AlCl2(N3Dmp2)]","","","- C51.5 H58.5 Al Cl1.5 N3 -","- C51.5 H58.5 Al Cl1.5 N3 -","- C103 H117 Al2 Cl3 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0832","0.0605","","","0.1637","0.179","","","","","","1.068","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700757","10.558","0.002","11.47","0.002","20.162","0.003","102.694","0.007","95.73","0.007","110.677","0.008","2186","0.7","183","2","183.01","","","","","","","","","4","P -1","-P 1","2","[Tl(N3Dmp2)]","","","- C51.5 H54 N3 Tl -","- C51.5 H54 N3 Tl -","- C103 H108 N6 Tl2 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0559","0.0351","","","0.0938","0.1022","","","","","","1.025","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700758","10.7943","0.0005","11.7863","0.0006","19.6677","0.0009","98.246","0.002","96.521","0.002","111.357","0.002","2268.68","0.19","150","2","150","","","","","","","","","4","P -1","-P 1","2","[AlMe2(N3Dmp2)]","","","- C52.5 H62 Al N3 -","- C52.5 H62 Al N3 -","- C105 H124 Al2 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0654","0.052","","","0.1435","0.154","","","","","","1.016","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700759","10.5807","0.0004","11.4067","0.0004","20.4425","0.0008","98.589","0.002","100.822","0.002","111.879","0.002","2182.73","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","[Tl(N3Dmp2)]","","","- C51 H57 N3 Tl -","- C51 H57 N3 Tl -","- C102 H114 N6 Tl2 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0765","0.0378","","","0.0737","0.0836","","","","","","0.993","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700760","10.4601","0.0005","11.394","0.0006","19.9439","0.0009","103.975","0.004","95.003","0.004","110.046","0.005","2128.9","0.2","173","2","173","","","","","","","","","4","P -1","-P 1","2","[In(N3Dmp2)]","","","- C51.5 H54 In0.75 N3 -","- C51.5 H54 In0.75 N3 -","- C103 H108 In1.5 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.1084","0.0661","","","0.124","0.1421","","","","","","1.078","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700761","10.8007","0.0006","11.8461","0.0007","19.6602","0.0011","97.282","0.003","96.972","0.003","111.686","0.002","2279.6","0.2","150","2","150","","","","","","","","","4","P -1","-P 1","2","[GaMe2(N3Dmp2)]","","","- C53 H63 Ga N3 -","- C53 H63 Ga N3 -","- C106 H126 Ga2 N6 -","2","1","","Leverett, Anthony R.; Diachenko, Vera; Cole, Marcus L.; McKay, Alasdair I.","Kinetic stabilization of low-oxidation state and terminal hydrido main group metal complexes by a sterically demanding N,N'-bis(2,6-terphenyl)triazenide.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13197","13204","10.1039/c9dt02562f","","","0.71073","MoKα","","0.0506","0.0432","","","0.1162","0.1199","","","","","","1.043","","","","has coordinates,has disorder","224492","2020-10-21","18:00:00",""
"7700762","14.2611","0.0003","18.0847","0.0005","26.3595","0.0008","90","","92.723","0.002","90","","6790.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H106 Ag2 N2 O38 P2 Ti8 -","- C138 H106 Ag2 N2 O38 P2 Ti8 -","- C276 H212 Ag4 N4 O76 P4 Ti16 -","2","0.5","","Yu, You-Zhu; Guo, Yao; Zhang, Yan-Ru; Liu, Min-Min; Feng, Ya-Ru; Geng, Cui-Huan; Zhang, Xian-Ming","A series of silver doped butterfly-like Ti<sub>8</sub>Ag<sub>2</sub> clusters with two Ag ions panelled on a Ti<sub>8</sub> surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13423","13429","10.1039/c9dt02508a","","x-ray","1.54184","CuKα","","0.0806","0.0511","","","0.1252","0.1458","","","","","","1.015","","","","has coordinates","224502","2020-10-21","18:00:00",""
"7700763","14.1578","0.0002","15.25","0.0002","17.4641","0.0003","88.552","0.001","67.58","0.001","79.147","0.001","3418.76","0.09","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H59 Ag N O19 P Ti4 -","- C72 H59 Ag N O19 P Ti4 -","- C144 H118 Ag2 N2 O38 P2 Ti8 -","2","1","","Yu, You-Zhu; Guo, Yao; Zhang, Yan-Ru; Liu, Min-Min; Feng, Ya-Ru; Geng, Cui-Huan; Zhang, Xian-Ming","A series of silver doped butterfly-like Ti<sub>8</sub>Ag<sub>2</sub> clusters with two Ag ions panelled on a Ti<sub>8</sub> surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13423","13429","10.1039/c9dt02508a","","","0.71073","MoKα","","0.0703","0.0556","","","0.125","0.1405","","","","","","1.021","","","","has coordinates,has disorder","224502","2020-10-21","18:00:00",""
"7700764","16.6988","0.0003","18.6668","0.0003","19.6322","0.0003","107.806","0.001","112.285","0.001","104.13","0.001","4920.39","0.17","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C198 H224 Ag2 N4 O38 P2 Ti8 -","- C198 H224 Ag2 N4 O38 P2 Ti8 -","- C198 H224 Ag2 N4 O38 P2 Ti8 -","1","0.5","","Yu, You-Zhu; Guo, Yao; Zhang, Yan-Ru; Liu, Min-Min; Feng, Ya-Ru; Geng, Cui-Huan; Zhang, Xian-Ming","A series of silver doped butterfly-like Ti<sub>8</sub>Ag<sub>2</sub> clusters with two Ag ions panelled on a Ti<sub>8</sub> surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13423","13429","10.1039/c9dt02508a","","","0.71073","MoKα","","0.0504","0.0439","","","0.112","0.1183","","","","","","1.026","","","","has coordinates,has disorder","224502","2020-10-21","18:00:00",""
"7700765","15.2916","0.0002","16.8434","0.0003","17.8849","0.0003","67.858","0.001","82.764","0.001","78.781","0.001","4178.2","0.12","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H152 Ag2 N8 O38 P2 Ti8 -","- C164 H152 Ag2 N8 O38 P2 Ti8 -","- C164 H152 Ag2 N8 O38 P2 Ti8 -","1","0.5","","Yu, You-Zhu; Guo, Yao; Zhang, Yan-Ru; Liu, Min-Min; Feng, Ya-Ru; Geng, Cui-Huan; Zhang, Xian-Ming","A series of silver doped butterfly-like Ti<sub>8</sub>Ag<sub>2</sub> clusters with two Ag ions panelled on a Ti<sub>8</sub> surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13423","13429","10.1039/c9dt02508a","","","0.71073","MoKα","","0.0357","0.0325","","","0.0827","0.0858","","","","","","1.021","","","","has coordinates,has disorder","224502","2020-10-21","18:00:00",""
"7700766","14.2246","0.0009","15.459","0.0009","18.8915","0.0011","67.905","0.006","82.025","0.005","65.532","0.006","3502.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H118 Ag2 N2 O38 P2 Ti8 -","- C144 H118 Ag2 N2 O38 P2 Ti8 -","- C144 H118 Ag2 N2 O38 P2 Ti8 -","1","0.5","","Yu, You-Zhu; Guo, Yao; Zhang, Yan-Ru; Liu, Min-Min; Feng, Ya-Ru; Geng, Cui-Huan; Zhang, Xian-Ming","A series of silver doped butterfly-like Ti<sub>8</sub>Ag<sub>2</sub> clusters with two Ag ions panelled on a Ti<sub>8</sub> surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13423","13429","10.1039/c9dt02508a","","x-ray","1.54184","CuKα","","0.0642","0.0506","","","0.1316","0.1434","","","","","","1.033","","","","has coordinates","224502","2020-10-21","18:00:00",""
"7700767","15.6045","0.0002","17.2291","0.0003","31.2468","0.0005","92.627","0.001","99.858","0.001","109.687","0.001","7744.2","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C308.2 H274.61 Ag4 N6 O104 P4 Ti16 -","- C308.204 H274.612 Ag4 N6 O104 P4 Ti16 -","- C308.204 H274.612 Ag4 N6 O104 P4 Ti16 -","1","0.5","","Yu, You-Zhu; Guo, Yao; Zhang, Yan-Ru; Liu, Min-Min; Feng, Ya-Ru; Geng, Cui-Huan; Zhang, Xian-Ming","A series of silver doped butterfly-like Ti<sub>8</sub>Ag<sub>2</sub> clusters with two Ag ions panelled on a Ti<sub>8</sub> surface.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13423","13429","10.1039/c9dt02508a","","","0.71073","MoKα","","0.039","0.0319","","","0.0793","0.0846","","","","","","1.029","","","","has coordinates,has disorder","224502","2020-10-21","18:00:00",""
"7700768","22.1339","0.0005","22.1339","0.0005","26.645","0.0006","90","","90","","120","","11304.8","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C126 H90 Co6 O40 Zn7 -","- C126 H90 Co6 O40 Zn7 -","- C378 H270 Co18 O120 Zn21 -","3","0.333333","","Nawrocki, Jan; Prochowicz, Daniel; Justyniak, Iwona; van Leusen, Jan; Kornowicz, Arkadiusz; Kögerler, Paul; Lewiński, Janusz","Synthesis, structure and magnetic properties of a novel high-nuclearity oxo-carboxylate [Zn<sub>x</sub>Co<sub>13-x</sub>(μ<sub>4</sub>-O)<sub>4</sub>(O<sub>2</sub>CPh)<sub>18</sub>] cluster.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12828","12831","10.1039/c9dt02791b","","","0.71073","MoKα","","0.0682","0.0512","","","0.1351","0.1471","","","","","","1.082","","","","has coordinates","224513","2020-10-21","18:00:00",""
"7700769","10.4621","0.0014","15.724","0.002","19.766","0.003","90","","98.111","0.003","90","","3219.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-[Re(PEt3)2(sal2en)][PF6]","","","- C28 H44 F6 N2 O2 P3 Re -","- C28 H44 F6 N2 O2 P3 Re -","- C112 H176 F24 N8 O8 P12 Re4 -","4","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0501","0.0289","","","0.0459","0.0507","","","","","","1.005","","","","has coordinates,has disorder","224521","2020-10-21","18:00:00",""
"7700770","11.6943","0.0014","13.5357","0.0015","13.6568","0.0016","68.44","0.003","70.666","0.004","64.49","0.004","1775.6","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 F6 N2 O3 P2 Re -","- C36 H33 F6 N2 O3 P2 Re -","- C72 H66 F12 N4 O6 P4 Re2 -","2","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0987","0.0813","","","0.1896","0.2003","","","","","","1.193","","","","has coordinates","224521","2020-10-21","18:00:00",""
"7700771","10.7455","0.0009","12.2922","0.0011","13.3527","0.0012","65.584","0.001","70.251","0.001","83.092","0.001","1511.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","cis-[ReO(PEtPh2) (sal2ibn)][PF6]","","","- C28 H33 F6 N2 O3 P2 Re -","- C28 H33 F6 N2 O3 P2 Re -","- C56 H66 F12 N4 O6 P4 Re2 -","2","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0215","0.018","","","0.0391","0.0401","","","","","","1.036","","","","has coordinates","224521","2020-10-21","18:00:00",""
"7700772","42.45","0.004","10.1296","0.0009","30.348","0.003","90","","130.284","0.001","90","","9954.9","1.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48.33 H57.33 F6 N2 O4.33 P3 Re -","- C46 H48 F6 N2 O2 P3 Re -","- C368 H384 F48 N16 O16 P24 Re8 -","8","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.026","0.0196","","","0.0431","0.0452","","","","","","1.04","","","","has coordinates","224521","2020-10-21","18:00:00",""
"7700773","10.5691","0.0006","12.4434","0.0008","17.0828","0.001","100.042","0.001","91.437","0.001","106.144","0.001","2118.6","0.2","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H52 Cl N2 O4 P2 Re -","- C44 H44 Cl N2 O2 P2 Re -","- C88 H88 Cl2 N4 O4 P4 Re2 -","2","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0503","0.0326","","","0.0667","0.0722","","","","","","1.017","","","","has coordinates","224521","2020-10-21","18:00:00",""
"7700774","23.1732","0.0018","15.547","0.0012","21.3236","0.0017","90","","117.133","0.001","90","","6836.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-[Re(PEt3)2(sal2ibn)][PF6]","","","- C30 H48 F6 N2 O2 P3 Re -","- C30 H48 F6 N2 O2 P3 Re -","- C240 H384 F48 N16 O16 P24 Re8 -","8","2","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0423","0.0263","","","0.0473","0.0501","","","","","","0.944","","","","has coordinates,has disorder","224521","2020-10-21","18:00:00",""
"7700775","9.3266","0.0011","19.497","0.002","17.659","0.002","90","","94.463","0.002","90","","3201.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","cis-[ReO(PEtPh2) (sal2ibn)][PF6]","","","- C32 H33 F6 N2 O3 P2 Re -","- C32 H33 F6 N2 O3 P2 Re -","- C128 H132 F24 N8 O12 P8 Re4 -","4","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0217","0.0208","","","0.0421","0.0424","","","","","","1.35","","","","has coordinates","224521","2020-10-21","18:00:00",""
"7700776","8.7506","0.0003","10.9321","0.0004","29.4316","0.0011","90","","90.9445","0.0012","90","","2815.12","0.18","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 F6 N2 O3 P2 Re -","- C24 H33 F6 N2 O3 P2 Re -","- C96 H132 F24 N8 O12 P8 Re4 -","4","1","","Baumeister, Jakob E.; Mitchell, Andrew W.; Kelley, Steven P.; Barnes, Charles L.; Jurisson, Silvia S.","Steric influence of salicylaldehyde-based Schiff base ligands on the formation of trans-[Re(PR<sub>3</sub>)<sub>2</sub>(Schiff base)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12943","12955","10.1039/c9dt02630d","","","0.71073","MoKα","","0.0311","0.0307","","","0.0643","0.0644","","","","","","1.39","","","","has coordinates","224521","2020-10-21","18:00:00",""
"7700777","5.9728","0.0002","8.7306","0.0005","9.9516","0.0005","64.636","0.005","77.246","0.004","84.317","0.004","457.34","0.04","90.15","","90.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 Cu2 N4 O2 -","- C18 H18 Cl2 Cu2 N4 O2 -","- C18 H18 Cl2 Cu2 N4 O2 -","1","0.5","","Shi, Xing-Xing; Chen, Qiu-Jie; Chen, Xue-Li; Zhang, Yuexing; Kurmoo, Mohamedally; Zeng, Ming-Hua","Monitoring fragmentation and oligomerization of a di-μ-methoxo bridged copper(ii) complex: structure, mass spectrometry, magnetism and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13094","13100","10.1039/c9dt02890k","","","0.71073","MoKα","","0.031","0.0292","","","0.0692","0.0706","","","","","","1.045","","","","has coordinates","224516","2020-10-21","18:00:00",""
"7700778","5.921","0.003","8.783","0.005","10.143","0.006","65.742","0.008","77.911","0.009","84.205","0.008","470.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 Cu2 N4 O2 -","- C18 H18 Cl2 Cu2 N4 O2 -","- C18 H18 Cl2 Cu2 N4 O2 -","1","0.5","","Shi, Xing-Xing; Chen, Qiu-Jie; Chen, Xue-Li; Zhang, Yuexing; Kurmoo, Mohamedally; Zeng, Ming-Hua","Monitoring fragmentation and oligomerization of a di-μ-methoxo bridged copper(ii) complex: structure, mass spectrometry, magnetism and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13094","13100","10.1039/c9dt02890k","","","0.71073","MoKα","","0.0427","0.0353","","","0.0995","0.1048","","","","","","1.061","","","","has coordinates","224516","2020-10-21","18:00:00",""
"7700779","10.75","0.002","16.747","0.004","17.011","0.004","95.475","0.002","100.277","0.003","101.979","0.002","2919.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Co3 N8 O13 -","- C66 H44 Co3 N8 O12 -","- C132 H88 Co6 N16 O24 -","2","1","","Yang, Ming-Xing; Chen, Li-Juan; Ma, Rong; Cai, Jian-Nan; Shi, Yuan-De; Lin, Shen","Three 3D Co(ii) cluster-based MOFs constructed from polycarboxylate acids and bis(imidazole) ligands and their derivatives: magnetic properties and catalytic performance for the ORR.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13369","13377","10.1039/c9dt02278c","","","0.71073","MoKα","","0.0722","0.05","","","0.0881","0.0934","","","","","","0.91","","","","has coordinates","224504","2020-10-21","18:00:00",""
"7700780","15.8312","0.0012","11.1386","0.0008","27.232","0.003","90","","99.996","0.005","90","","4729.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Co2 N4 O8 -","- C27 H18 Co2 N4 O7 -","- C108 H72 Co8 N16 O28 -","4","1","","Yang, Ming-Xing; Chen, Li-Juan; Ma, Rong; Cai, Jian-Nan; Shi, Yuan-De; Lin, Shen","Three 3D Co(ii) cluster-based MOFs constructed from polycarboxylate acids and bis(imidazole) ligands and their derivatives: magnetic properties and catalytic performance for the ORR.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13369","13377","10.1039/c9dt02278c","","","0.71073","MoKα","","0.0645","0.05","","","0.1238","0.1302","","","","","","1.032","","","","has coordinates","224504","2020-10-21","18:00:00",""
"7700781","11.56","0.003","13.891","0.003","14.765","0.004","93.156","0.002","107.051","0.003","96.782","0.004","2240.8","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H62 Co5 N8 O22 -","- C80 H58 Co5 N8 O20 -","- C80 H58 Co5 N8 O20 -","1","0.5","","Yang, Ming-Xing; Chen, Li-Juan; Ma, Rong; Cai, Jian-Nan; Shi, Yuan-De; Lin, Shen","Three 3D Co(ii) cluster-based MOFs constructed from polycarboxylate acids and bis(imidazole) ligands and their derivatives: magnetic properties and catalytic performance for the ORR.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13369","13377","10.1039/c9dt02278c","","","0.71073","MoKα","","0.0555","0.0409","","","0.1029","0.1068","","","","","","1.012","","","","has coordinates","224504","2020-10-21","18:00:00",""
"7700782","9.7975","0.0007","10.9639","0.0011","13.8619","0.0015","106.193","0.009","102.43","0.007","105.643","0.007","1307.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H18 B F9 N2 -","- C31 H18 B F9 N2 -","- C62 H36 B2 F18 N4 -","2","1","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0941","0.0557","","","0.1173","0.1486","","","","","","1.083","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700783","9.4053","0.0006","11.2224","0.0007","13.6936","0.0008","103.791","0.005","98.886","0.005","90.099","0.005","1385.73","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H34 B2 Cl4 F18 N4 -","- C58 H34 B2 Cl4 F18 N4 -","- C58 H34 B2 Cl4 F18 N4 -","1","0.5","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.1335","0.0645","","","0.1206","0.1608","","","","","","1.03","","","","has coordinates,has disorder","223987","2020-10-21","18:00:00",""
"7700784","9.5166","0.0004","21.8157","0.0008","13.1104","0.0005","90","","99.132","0.004","90","","2687.37","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H18 B F9 N2 -","- C31 H18 B F9 N2 -","- C124 H72 B4 F36 N8 -","4","1","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0531","0.0418","","","0.0965","0.1045","","","","","","1.062","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700785","15.7866","0.0008","9.641","0.0004","22.4406","0.0011","90","","108.694","0.006","90","","3235.2","0.3","150","1","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H16 B2 F18 N2 -","- C36 H16 B2 F18 N2 -","- C144 H64 B8 F72 N8 -","4","0.5","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0467","0.0373","","","0.0874","0.0948","","","","","","1.024","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700786","14.8884","0.0009","10.6742","0.0005","14.1291","0.0007","90","","115.392","0.007","90","","2028.5","0.2","170.03","0.1","170.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 B F6 N2 -","- C25 H13 B F6 N2 -","- C100 H52 B4 F24 N8 -","4","1","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0528","0.0414","","","0.1046","0.1132","","","","","","1.038","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700787","11.8326","0.0005","12.0001","0.0007","13.9711","0.0006","73.338","0.004","89.047","0.003","75.159","0.004","1833.64","0.16","100","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H7 B F10 N2 O -","- C19 H7 B F10 N2 O -","- C76 H28 B4 F40 N8 O4 -","4","2","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0717","0.0517","","","0.1282","0.1473","","","","","","1.043","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700788","10.8497","0.0005","16.1722","0.0008","13.6947","0.0006","90","","104.795","0.005","90","","2323.25","0.19","199.97","0.13","199.97","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.33 H10.67 B1.33 F20 N2.67 O1.33 -","- C33.3333 H10.6667 B1.33333 F20 N2.66667 O1.33333 -","- C100 H32 B4 F60 N8 O4 -","3","0.75","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","x-ray","0.71073","MoKα","","0.0504","0.0399","","","0.1033","0.1132","","","","","","1.026","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700789","25.9971","0.001","15.1972","0.0006","13.0295","0.0004","90","","94.668","0.003","90","","5130.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H14 B Cl F9 N2 O -","- C25.5 H14 B Cl F9 N2 O -","- C204 H112 B8 Cl8 F72 N16 O8 -","8","1","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0705","0.0592","","","0.1681","0.179","","","","","","1.041","","","","has coordinates,has disorder","223987","2020-10-21","18:00:00",""
"7700790","11.3025","0.0007","19.3312","0.0012","10.8564","0.0007","90","","114.615","0.001","90","","2156.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H22 Mo2 N10 O4 -","- C14 H22 Mo2 N10 O4 -","- C56 H88 Mo8 N40 O16 -","4","0.5","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0202","0.0182","","","0.0464","0.0474","","","","","","1.079","","","","has coordinates,has disorder","224522","2020-10-21","18:00:00",""
"7700791","11.2316","0.0004","11.6355","0.0004","28.9416","0.001","90","","98.1264","0.0015","90","","3744.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl2 Mo2 N18 O4 -","- C27 H24 Cl2 Mo2 N18 O4 -","- C108 H96 Cl8 Mo8 N72 O16 -","4","1","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0953","0.048","","","0.1094","0.1239","","","","","","1.009","","","","has coordinates","224522","2020-10-21","18:00:00",""
"7700792","18.9939","0.0004","10.7176","0.0002","28.903","0.0005","90","","92.2762","0.0008","90","","5879.11","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Mo2 N12 O6 -","- C21 H26 Mo2 N12 O6 -","- C168 H208 Mo16 N96 O48 -","8","1","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0563","0.0325","","","0.0657","0.0722","","","","","","0.982","","","","has coordinates","224522","2020-10-21","18:00:00",""
"7700793","12.354","0.0006","12.9495","0.0007","14.5236","0.0007","66.3975","0.0012","70.1697","0.001","77.655","0.0011","1994.63","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Mo2 N14 O9 -","- C32 H38 Mo2 N14 O9 -","- C64 H76 Mo4 N28 O18 -","2","1","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0766","0.0578","","","0.1357","0.1451","","","","","","1.095","","","","has coordinates,has disorder","224522","2020-10-21","18:00:00",""
"7700794","11.1748","0.0007","11.8254","0.0008","21.796","0.0015","90","","102.626","0.0014","90","","2810.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Mo2 N14 O4 -","- C20 H22 Mo2 N14 O4 -","- C80 H88 Mo8 N56 O16 -","4","1","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0622","0.0463","","","0.0984","0.1049","","","","","","1.057","","","","has coordinates,has disorder","224522","2020-10-21","18:00:00",""
"7700795","10.3722","0.0007","12.2607","0.0008","13.1324","0.0009","79.3555","0.0013","68.319","0.0012","69.1996","0.0012","1448","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo2 N10 O8 -","- C20 H28 Mo2 N10 O8 -","- C40 H56 Mo4 N20 O16 -","2","1","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0246","0.0218","","","0.0538","0.0551","","","","","","1.049","","","","has coordinates","224522","2020-10-21","18:00:00",""
"7700796","13.4046","0.0003","29.2236","0.0006","17.1632","0.0003","90","","90.5145","0.001","90","","6723.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Mo2 N10 O8.5 -","- C24 H36 Mo2 N10 O8.5 -","- C192 H288 Mo16 N80 O68 -","8","2","","Chen, You-Xuan; Yang, Hsueh-Hui; Lin, Yu-Liang; Hou, Ji-Kuan; Chu, Yong-Jui; Liu, Fu-Chen; Lee, Gene-Hsiang","[3 + 2] cycloaddition of azido-bridged molybdenum(ii) complex with nitriles and alkynes.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12996","13005","10.1039/c9dt02659b","","","0.71073","MoKα","","0.0783","0.0426","","","0.101","0.1109","","","","","","1.012","","","","has coordinates","224522","2020-10-21","18:00:00",""
"7700797","12.9649","0.0019","13.264","0.002","17.992","0.003","87.037","0.005","88.854","0.005","77.955","0.005","3021.7","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H52 Cl5 Gd2 N8 O6 -","- C65 H52 Cl5 Gd2 N8 O6 -","- C130 H104 Cl10 Gd4 N16 O12 -","2","1","","Gao, Feng; Wang, Lei; Zhu, Guang-Zhou; Liu, Yu-Han; Yang, Han; Li, Xiang; Yang, Ke","Controllable syntheses and magnetic properties of novel homoleptic triple-decker lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13360","13368","10.1039/c9dt02565k","","","0.71073","MoKα","","0.08","0.0394","","","0.0699","0.0808","","","","","","1.011","","","","has coordinates","224507","2020-10-21","18:00:00",""
"7700798","13.0047","0.0006","13.2374","0.0007","17.8578","0.0008","87.315","0.002","88.868","0.001","77.966","0.002","3003.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H52 Cl5 Dy2 N8 O6 -","- C65 H52 Cl5 Dy2 N8 O6 -","- C130 H104 Cl10 Dy4 N16 O12 -","2","1","","Gao, Feng; Wang, Lei; Zhu, Guang-Zhou; Liu, Yu-Han; Yang, Han; Li, Xiang; Yang, Ke","Controllable syntheses and magnetic properties of novel homoleptic triple-decker lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13360","13368","10.1039/c9dt02565k","","","0.71073","MoKα","","0.0759","0.0371","","","0.0678","0.0786","","","","","","1.01","","","","has coordinates","224507","2020-10-21","18:00:00",""
"7700799","12.9749","0.001","13.2493","0.001","17.9295","0.0015","87.218","0.003","88.798","0.003","78.065","0.002","3011.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H52 Cl5 N8 O6 Tb2 -","- C65 H52 Cl5 N8 O6 Tb2 -","- C130 H104 Cl10 N16 O12 Tb4 -","2","1","","Gao, Feng; Wang, Lei; Zhu, Guang-Zhou; Liu, Yu-Han; Yang, Han; Li, Xiang; Yang, Ke","Controllable syntheses and magnetic properties of novel homoleptic triple-decker lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13360","13368","10.1039/c9dt02565k","","","0.71073","MoKα","","0.095","0.0459","","","0.0809","0.0956","","","","","","1.008","","","","has coordinates","224507","2020-10-21","18:00:00",""
"7700800","13.061","0.003","13.232","0.003","17.793","0.004","87.543","0.008","89.024","0.008","77.857","0.009","3003.4","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H52 Cl5 Ho2 N8 O6 -","- C65 H52 Cl5 Ho2 N8 O6 -","- C130 H104 Cl10 Ho4 N16 O12 -","2","1","","Gao, Feng; Wang, Lei; Zhu, Guang-Zhou; Liu, Yu-Han; Yang, Han; Li, Xiang; Yang, Ke","Controllable syntheses and magnetic properties of novel homoleptic triple-decker lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13360","13368","10.1039/c9dt02565k","","","0.71073","MoKα","","0.0729","0.0358","","","0.0559","0.0633","","","","","","1.016","","","","has coordinates,has disorder","224507","2020-10-21","18:00:00",""
"7700801","34.7389","0.0009","16.5853","0.0004","44.6977","0.0013","90","","111.333","0.003","90","","23988.3","1.2","239.98","0.1","239.98","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H145.3 Cr8 F8 O32 S0.67 -","- C80 H145.3 Cr8 F8 O32 S0.658 -","- C640 H1162.4 Cr64 F64 O256 S5.264 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0717","0.0516","","","0.1281","0.1384","","","","","","1.012","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700802","34.8985","0.0011","16.5023","0.0004","44.0954","0.0016","90","","111.428","0.004","90","","23639.4","1.4","149.8","0.5","149.8","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.73 S0.87 -","- C80 H144 Cr8 F8 O33.734 S0.867 -","- C640 H1152 Cr64 F64 O269.872 S6.936 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.1036","0.0596","","","0.1242","0.1478","","","","","","1.036","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700803","34.7518","0.0009","16.496","0.0003","44.0635","0.0011","90","","111.433","0.003","90","","23513.2","1.1","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.66 S0.83 -","- C80 H144 Cr8 F8 O33.66 S0.83 -","- C640 H1152 Cr64 F64 O269.28 S6.64 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0743","0.047","","","0.1201","0.1322","","","","","","1.058","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700804","34.8538","0.0012","16.6225","0.0003","44.8355","0.0013","90","","111.414","0.004","90","","24182.6","1.3","240","","240","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O32.908 S0.454 -","- C640 H1152 Cr64 F64 O263.264 S3.632 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0658","0.0461","","","0.124","0.1338","","","","","","1.03","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700805","34.9677","0.0013","16.6698","0.0003","45.0674","0.0018","90","","111.33","0.004","90","","24470.5","1.6","298","5","298","5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.68 S0.84 -","- C80 H144 Cr8 F8 O33.684 S0.842 -","- C640 H1152 Cr64 F64 O269.472 S6.736 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.1148","0.0596","","","0.1594","0.1862","","","","","","1.013","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700806","34.8086","0.001","16.4934","0.0003","44.0632","0.0012","90","","111.439","0.003","90","","23546.8","1.1","150","0.1","149.8","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.73 S0.87 -","- C80 H144 Cr8 F8 O33.728 S0.864 -","- C640 H1152 Cr64 F64 O269.824 S6.912 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0703","0.0474","","","0.1152","0.1245","","","","","","1.042","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700807","34.8686","0.0015","16.6607","0.0006","45.057","0.0019","90","","111.276","0.005","90","","24391.2","1.9","310","0.1","310","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.58 S0.79 -","- C80 H144 Cr8 F8 O33.574 S0.787 -","- C640 H1152 Cr64 F64 O268.592 S6.296 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.1143","0.061","","","0.1618","0.1877","","","","","","1.006","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700808","34.909","0.0012","16.6118","0.0004","44.8078","0.0018","90","","111.483","0.005","90","","24178.9","1.6","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.76 S0.88 -","- C80 H144 Cr8 F8 O33.764 S0.882 -","- C640 H1152 Cr64 F64 O270.112 S7.056 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.1409","0.0703","","","0.1558","0.1972","","","","","","1.031","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700809","34.8127","0.0017","16.6793","0.0008","45.24","0.002","90","","111.106","0.006","90","","24506","2","350.02","0.1","350.02","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.28 S0.64 -","- C80 H144 Cr8 F8 O33.272 S0.636 -","- C640 H1152 Cr64 F64 O266.176 S5.088 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.1372","0.0656","","","0.1771","0.2098","","","","","","1.042","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700810","34.8857","0.0011","16.5618","0.0004","44.4679","0.0017","90","","111.459","0.004","90","","23911.2","1.5","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.76 S0.88 -","- C80 H144 Cr8 F8 O33.764 S0.882 -","- C640 H1152 Cr64 F64 O270.112 S7.056 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.1186","0.0647","","","0.1404","0.1706","","","","","","1.029","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700811","34.8231","0.0012","16.625","0.0003","44.8309","0.0013","90","","111.355","0.004","90","","24172.2","1.3","239.74","0.1","239.74","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32.89 S0.44 -","- C80 H144 Cr8 F8 O32.844 S0.422 -","- C640 H1152 Cr64 F64 O262.752 S3.376 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0666","0.0466","","","0.1269","0.1368","","","","","","1.037","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700812","34.828","0.0004","16.46848","0.00017","43.7202","0.0006","90","","111.333","0.0015","90","","23358.1","0.5","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H145.57 Cr8 F8 O32 S0.78 -","- C80 H145.572 Cr8 F8 O32 S0.786 -","- C640 H1164.58 Cr64 F64 O256 S6.288 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0901","0.046","","","0.1067","0.1232","","","","","","1.001","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700813","34.932","0.0007","16.46","0.0003","43.7453","0.0011","90","","111.406","0.003","90","","23417.6","1","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.74 S0.87 -","- C80 H144 Cr8 F8 O33.74 S0.87 -","- C640 H1152 Cr64 F64 O269.92 S6.96 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0935","0.0593","","","0.1178","0.1334","","","","","","1.042","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700814","34.9035","0.001","16.6096","0.0003","44.7863","0.0012","90","","111.483","0.003","90","","24160.3","1.2","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.67 S0.83 -","- C80 H144 Cr8 F8 O33.67 S0.835 -","- C640 H1152 Cr64 F64 O269.36 S6.68 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0627","0.0455","","","0.1253","0.1347","","","","","","1.047","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700815","34.8328","0.0012","16.6255","0.0003","44.8334","0.0013","90","","111.373","0.004","90","","24178","1.3","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O32.888 S0.444 -","- C640 H1152 Cr64 F64 O263.104 S3.552 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0674","0.0467","","","0.1264","0.1364","","","","","","1.055","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700816","34.8692","0.0012","16.6217","0.0003","44.8285","0.0012","90","","111.414","0.004","90","","24188.3","1.3","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O33.108 S0.554 -","- C640 H1152 Cr64 F64 O264.864 S4.432 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0652","0.0465","","","0.1258","0.1352","","","","","","1.044","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700817","34.7214","0.0011","16.5877","0.0003","44.6977","0.0017","90","","111.193","0.004","90","","24002.5","1.4","240","","240","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0713","0.0499","","","0.1418","0.1531","","","","","","1.051","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700818","34.8365","0.0012","16.6328","0.0003","44.854","0.0013","90","","111.361","0.004","90","","24204.3","1.3","240","","240","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32.86 S0.43 -","- C80 H144 Cr8 F8 O32.852 S0.426 -","- C640 H1152 Cr64 F64 O262.816 S3.408 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.067","0.0467","","","0.1277","0.1377","","","","","","1.04","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700819","34.7353","0.0009","16.5967","0.0004","44.7645","0.0014","90","","111.279","0.003","90","","24047","1.2","239.92","0.1","239.92","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0748","0.0515","","","0.1466","0.1603","","","","","","1.041","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700820","34.7957","0.0014","16.4957","0.0003","44.1262","0.0015","90","","111.36","0.004","90","","23587.8","1.5","150.01","0.1","150.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.69 S0.84 -","- C80 H144 Cr8 F8 O33.688 S0.842 -","- C640 H1152 Cr64 F64 O269.504 S6.736 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0794","0.0527","","","0.1302","0.1426","","","","","","1.049","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700821","34.8442","0.0012","16.6245","0.0003","44.8378","0.0013","90","","111.392","0.004","90","","24183.7","1.3","239.76","0.1","239.76","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O32.934 S0.467 -","- C640 H1152 Cr64 F64 O263.472 S3.736 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0662","0.0464","","","0.1259","0.1357","","","","","","1.054","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700822","34.7891","0.0014","16.5631","0.0003","44.6159","0.0018","90","","111.394","0.004","90","","23936.9","1.6","240","","240","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.69 S0.85 -","- C80 H144 Cr8 F8 O33.694 S0.847 -","- C640 H1152 Cr64 F64 O269.552 S6.776 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0708","0.0469","","","0.1243","0.1344","","","","","","1.057","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700823","8.7182","0.0008","17.212","0.002","18.794","0.002","95.34","0.004","99.889","0.004","90.231","0.004","2765.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 B N2 -","- C35 H35 B N2 -","- C140 H140 B4 N8 -","4","2","","Rodrigues, Ana I.; Figueira, Cláudia A; Gomes, Clara S. B.; Suresh, D.; Ferreira, Bruno; Di Paolo, Roberto E.; Pereira, Daniel de Sa; Dias, Fernando B.; Calhorda, Maria José; Morgado, Jorge; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic 5-substituted iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13337","13352","10.1039/c9dt02718a","","","0.71073","MoKα","","0.1921","0.073","","","0.1222","0.1504","","","","","","0.882","","","","has coordinates","224486","2020-10-21","18:00:00",""
"7700824","11.832","0.002","14.352","0.003","21.983","0.004","90","","103.421","0.007","90","","3631.1","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 B N2 -","- C44 H48 B N2 -","- C176 H192 B4 N8 -","4","1","","Rodrigues, Ana I.; Figueira, Cláudia A; Gomes, Clara S. B.; Suresh, D.; Ferreira, Bruno; Di Paolo, Roberto E.; Pereira, Daniel de Sa; Dias, Fernando B.; Calhorda, Maria José; Morgado, Jorge; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic 5-substituted iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13337","13352","10.1039/c9dt02718a","","","0.71073","MoKα","","0.2451","0.078","","","0.1532","0.1922","","","","","","0.826","","","","has coordinates","224486","2020-10-21","18:00:00",""
"7700825","12.435","0.003","15.353","0.004","13.984","0.003","90","","91.186","0.009","90","","2669.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 B N2 -","- C37 H27 B N2 -","- C148 H108 B4 N8 -","4","1","","Rodrigues, Ana I.; Figueira, Cláudia A; Gomes, Clara S. B.; Suresh, D.; Ferreira, Bruno; Di Paolo, Roberto E.; Pereira, Daniel de Sa; Dias, Fernando B.; Calhorda, Maria José; Morgado, Jorge; Maçanita, António L; Gomes, Pedro T.","Boron complexes of aromatic 5-substituted iminopyrrolyl ligands: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13337","13352","10.1039/c9dt02718a","","","0.71073","MoKα","","0.2165","0.0972","","","0.2728","0.3322","","","","","","1.034","","","","has coordinates","224486","2020-10-21","18:00:00",""
"7700826","10.89","0.0018","17.0382","0.0018","13.0657","0.0015","90","","90","","90","","2424.3","0.6","375","0.1","375","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C38 H60 Mn2 N20 -","- C38 Mn2 N20 -","- C76 Mn4 N40 -","2","0.25","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Macalik, Lucyna; Pikul, Adam; Sieradzki, Adam","Structural, phonon, magnetic and optical properties of novel perovskite-like frameworks of TriBuMe[M(dca)<sub>3</sub>] (TriBuMe = tributylmethylammonium; dca = dicyanamide; M = Mn<sup>2+</sup>, Fe<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13006","13016","10.1039/c9dt02924a","","x-ray","0.71073","MoKα","","0.1307","0.0826","","","0.2659","0.3134","","","","","","1.204","","","","has coordinates","224526","2020-10-21","18:00:00",""
"7700827","19.6529","0.0013","13.2746","0.0006","20.2864","0.0013","90","","115.633","0.009","90","","4771.5","0.6","290","0.12","290","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Mn2 N20 -","- C38 H30 Mn2 N20 -","- C152 H120 Mn8 N80 -","4","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Macalik, Lucyna; Pikul, Adam; Sieradzki, Adam","Structural, phonon, magnetic and optical properties of novel perovskite-like frameworks of TriBuMe[M(dca)<sub>3</sub>] (TriBuMe = tributylmethylammonium; dca = dicyanamide; M = Mn<sup>2+</sup>, Fe<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","34","13006","13016","10.1039/c9dt02924a","","x-ray","0.71073","MoKα","","0.0793","0.0621","","","0.1933","0.2141","","","","","","1.17","","","","has coordinates","224526","2020-10-21","18:00:00",""
"7700828","21.891","0.0016","24.2657","0.0018","24.907","0.0019","90","","90","","90","","13230.6","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70.23 H88.2 Co N4.11 O4 -","- C70.228 H88.2013 Co N4.114 O4 -","- C561.824 H705.61 Co8 N32.912 O32 -","8","1","","Safaei, Elham; Balaghi, S. Esmael; Chiang, Linus; Clarke, Ryan M.; Martelino, Diego; Webb, Michael I.; Wong, Edwin W. Y.; Savard, Didier; Walsby, Charles J.; Storr, Tim","Stabilization of different redox levels of a tridentate benzoxazole amidophenoxide ligand when bound to Co(iii) or V(v).","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13326","13336","10.1039/c9dt02865j","","","0.71073","MoKα","","0.0695","0.0489","","0.0829","0.045","0.0427","","","","","","1.0679","","","","has coordinates","224487","2020-10-21","18:00:00",""
"7700829","18.8902","0.0006","12.6478","0.0004","34.8696","0.001","90","","91.657","0.0017","90","","8327.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H52.5 N2.5 O5 V -","- C41 H52.5 N2.5 O5 V -","- C328 H420 N20 O40 V8 -","8","2","","Safaei, Elham; Balaghi, S. Esmael; Chiang, Linus; Clarke, Ryan M.; Martelino, Diego; Webb, Michael I.; Wong, Edwin W. Y.; Savard, Didier; Walsby, Charles J.; Storr, Tim","Stabilization of different redox levels of a tridentate benzoxazole amidophenoxide ligand when bound to Co(iii) or V(v).","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13326","13336","10.1039/c9dt02865j","","","1.54178","CuKα","","0.056","0.0427","","","0.1151","0.1238","","","","","","1.03","","","","has coordinates,has disorder","224487","2020-10-21","18:00:00",""
"7700830","28.0679","0.0015","21.8228","0.0012","25.4931","0.0014","90","","114.048","0.001","90","","14259.7","1.3","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C142 H126 Br4 Cl4 Ni4 O8 P8 -","- C142 H126 Br4 Cl4 Ni4 O8 P8 -","- C568 H504 Br16 Cl16 Ni16 O32 P32 -","4","0.5","","Ananthnag, Guddekoppa S.; Mondal, Dipanjan; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of tetra-pincer nickel(ii) and palladium(ii) complexes of resorcin[4]arene-octophosphinite [Res(OPR<sub>2</sub>)<sub>8</sub>] and rhodium-catalyzed regioselective hydroformylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14632","14641","10.1039/c9dt02499a","","","0.71073","MoKα","","0.0992","0.08","","","0.2393","0.2558","","","","","","1.091","","","","has coordinates,has disorder","224036","2020-10-21","18:00:00",""
"7700831","27.9334","0.0007","21.8518","0.0004","26.0254","0.0005","90","","114.212","0.001","90","","14488.4","0.5","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H124 Br4 O8 P8 Pd4 -","- C140 H124 Br4 O8 P8 Pd4 -","- C560 H496 Br16 O32 P32 Pd16 -","4","0.5","","Ananthnag, Guddekoppa S.; Mondal, Dipanjan; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis of tetra-pincer nickel(ii) and palladium(ii) complexes of resorcin[4]arene-octophosphinite [Res(OPR<sub>2</sub>)<sub>8</sub>] and rhodium-catalyzed regioselective hydroformylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14632","14641","10.1039/c9dt02499a","","","1.54178","CuKα","","0.1502","0.0889","","","0.2276","0.274","","","","","","1.048","","","","has coordinates,has disorder","224036","2020-10-21","18:00:00",""
"7700832","13.8523","0.0005","15.6979","0.0006","20.7364","0.0009","81.406","0.001","83.075","0.001","66.2","0.001","4070.3","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 Cl4 Fe4 Ho2 N12 O22 -","- C58 H54 Cl4 Fe4 Ho2 N12 O22 -","- C116 H108 Cl8 Fe8 Ho4 N24 O44 -","2","1","","Wang, Hui-Sheng; Long, Qiao-Qiao; Hu, Zhao-Bo; Yue, Lin; Yang, Feng-Jun; Yin, Cheng-Ling; Pan, Zhi-Quan; Zhang, Yi-Quan; Song, You","Synthesis, crystal structures and magnetic properties of a series of chair-like heterometallic [Fe<sub>4</sub>Ln<sub>2</sub>] (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>, Ho<sup>III</sup>, and Er<sup>III</sup>) complexes with mixed organic ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13472","13482","10.1039/c9dt02638j","","","0.71073","MoKα","","0.0434","0.0295","","","0.067","0.0715","","","","","","1.057","","","","has coordinates","224496","2020-10-21","18:00:00",""
"7700833","13.9064","0.0005","15.7148","0.0005","20.7911","0.0008","81.369","0.001","83.203","0.001","66.034","0.001","4096.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Cl4 Fe4 Gd2 N13 O20 -","- C60 H53 Cl4 Fe4 Gd2 N13 O20 -","- C120 H106 Cl8 Fe8 Gd4 N26 O40 -","2","1","","Wang, Hui-Sheng; Long, Qiao-Qiao; Hu, Zhao-Bo; Yue, Lin; Yang, Feng-Jun; Yin, Cheng-Ling; Pan, Zhi-Quan; Zhang, Yi-Quan; Song, You","Synthesis, crystal structures and magnetic properties of a series of chair-like heterometallic [Fe<sub>4</sub>Ln<sub>2</sub>] (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>, Ho<sup>III</sup>, and Er<sup>III</sup>) complexes with mixed organic ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13472","13482","10.1039/c9dt02638j","","","0.71073","MoKα","","0.0698","0.039","","","0.0597","0.0632","","","","","","1.088","","","","has coordinates","224496","2020-10-21","18:00:00",""
"7700834","13.8617","0.0007","15.6909","0.0008","20.7168","0.0009","81.361","0.002","83.042","0.002","66.101","0.002","4063.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H59 Cl4 Er2 Fe4 N13 O23 -","- C60 H59 Cl4 Er2 Fe4 N13 O23 -","- C120 H118 Cl8 Er4 Fe8 N26 O46 -","2","1","","Wang, Hui-Sheng; Long, Qiao-Qiao; Hu, Zhao-Bo; Yue, Lin; Yang, Feng-Jun; Yin, Cheng-Ling; Pan, Zhi-Quan; Zhang, Yi-Quan; Song, You","Synthesis, crystal structures and magnetic properties of a series of chair-like heterometallic [Fe<sub>4</sub>Ln<sub>2</sub>] (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>, Ho<sup>III</sup>, and Er<sup>III</sup>) complexes with mixed organic ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13472","13482","10.1039/c9dt02638j","","","0.71073","MoKα","","0.0741","0.0418","","","0.0812","0.0874","","","","","","1.032","","","","has coordinates","224496","2020-10-21","18:00:00",""
"7700835","13.9055","0.0006","15.712","0.0007","20.7958","0.001","81.299","0.002","83.309","0.002","65.944","0.001","4093.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H55 Cl4 Dy2 Fe4 N13 O21 -","- C60 H55 Cl4 Dy2 Fe4 N13 O21 -","- C120 H110 Cl8 Dy4 Fe8 N26 O42 -","2","1","","Wang, Hui-Sheng; Long, Qiao-Qiao; Hu, Zhao-Bo; Yue, Lin; Yang, Feng-Jun; Yin, Cheng-Ling; Pan, Zhi-Quan; Zhang, Yi-Quan; Song, You","Synthesis, crystal structures and magnetic properties of a series of chair-like heterometallic [Fe<sub>4</sub>Ln<sub>2</sub>] (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>, Ho<sup>III</sup>, and Er<sup>III</sup>) complexes with mixed organic ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13472","13482","10.1039/c9dt02638j","","","0.71073","MoKα","","0.0486","0.0331","","","0.0729","0.0771","","","","","","1.047","","","","has coordinates","224496","2020-10-21","18:00:00",""
"7700836","13.9603","0.0007","18.0756","0.0007","17.0086","0.0006","90","","113.451","0.0018","90","","3937.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Cl6 Ir N2 -","- C32 H72 Cl6 Ir N2 -","- C128 H288 Cl24 Ir4 N8 -","4","0.5","","Sanchis-Perucho, Adrián; Martínez-Lillo, José","Ferromagnetic exchange interaction in a new Ir(iv)-Cu(ii) chain based on the hexachloroiridate(iv) anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13925","13930","10.1039/c9dt02884f","","","0.71073","MoKα","","0.0158","0.0124","","","0.0393","0.0553","","","","","","1.332","","","","has coordinates","223854","2020-10-21","18:00:00",""
"7700837","12.5085","0.0014","14.5171","0.0016","16.094","0.002","90","","101.379","0.005","90","","2865","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cl6 Cu Ir N8 -","- C20 H24 Cl6 Cu Ir N8 -","- C80 H96 Cl24 Cu4 Ir4 N32 -","4","0.5","","Sanchis-Perucho, Adrián; Martínez-Lillo, José","Ferromagnetic exchange interaction in a new Ir(iv)-Cu(ii) chain based on the hexachloroiridate(iv) anion.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13925","13930","10.1039/c9dt02884f","","","0.71073","MoKα","","0.0995","0.0647","","","0.142","0.1589","","","","","","1.101","","","","has coordinates","223854","2020-10-21","18:00:00",""
"7700838","17.687","0.004","16.553","0.004","18.948","0.004","90","","91.001","0.003","90","","5547","2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H22 Cl2 Fe4 N4 O20 S4 -","- C49 H22 Cl2 Fe4 N4 O20 S4 -","- C196 H88 Cl8 Fe16 N16 O80 S16 -","4","1","","Zhong, Wei; Wu, Li; Jiang, Weidong; Li, Yulong; Mookan, Natarajan; Liu, Xiaoming","Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13711","13718","10.1039/c9dt02058f","","","0.71073","MoKα","","0.0957","0.0479","","","0.1085","0.1276","","","","","","1.016","","","","has coordinates","224479","2020-10-21","18:00:00",""
"7700839","12.3381","0.0006","19.4322","0.001","10.9337","0.0008","90","","90","","90","","2621.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H16 Fe2 O8 S2 -","- C26 H16 Fe2 O8 S2 -","- C104 H64 Fe8 O32 S8 -","4","0.5","","Zhong, Wei; Wu, Li; Jiang, Weidong; Li, Yulong; Mookan, Natarajan; Liu, Xiaoming","Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13711","13718","10.1039/c9dt02058f","","","0.71073","MoKα","","0.073","0.0452","","","0.0935","0.1058","","","","","","1.092","","","","has coordinates","224479","2020-10-21","18:00:00",""
"7700840","12.04","0.002","17.033","0.003","15.155","0.003","90","","101.646","0.002","90","","3044","1","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl0 Fe2 N0 O12 S2 -","- C28 H16 Fe2 O12 S2 -","- C112 H64 Fe8 O48 S8 -","4","1","","Zhong, Wei; Wu, Li; Jiang, Weidong; Li, Yulong; Mookan, Natarajan; Liu, Xiaoming","Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13711","13718","10.1039/c9dt02058f","","","0.71073","MoKα","","0.0603","0.0375","","","0.0952","0.1125","","","","","","1.036","","","","has coordinates","224479","2020-10-21","18:00:00",""
"7700841","7.252","0.0001","13.2449","0.0002","18.3975","0.0002","90","","92.644","0.001","90","","1765.24","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Fe2 Hg P2 -","- C44 H36 Fe2 Hg P2 -","- C88 H72 Fe4 Hg2 P4 -","2","0.5","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bannenberg, Thomas; Tamm, Matthias; Jäkle, Frieder","Diferrocenylmercury diphosphine diastereomers with unique geometries: trans-chelation at Pd(ii) with short Hg(ii)Pd(ii) contacts.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13430","13439","10.1039/c9dt02728a","","","1.54178","CuKα","","0.0265","0.0252","","","0.0621","0.0629","","","","","","1.039","","","","has coordinates","224503","2020-10-21","18:00:00",""
"7700842","11.5138","0.0004","12.2469","0.0004","16.3241","0.0005","70.183","0.002","80.298","0.002","68.115","0.002","2007.12","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 Cl4 Fe2 Hg P2 Pd -","- C45 H38 Cl4 Fe2 Hg P2 Pd -","- C90 H76 Cl8 Fe4 Hg2 P4 Pd2 -","2","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bannenberg, Thomas; Tamm, Matthias; Jäkle, Frieder","Diferrocenylmercury diphosphine diastereomers with unique geometries: trans-chelation at Pd(ii) with short Hg(ii)Pd(ii) contacts.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13430","13439","10.1039/c9dt02728a","","","1.54178","CuKα","","0.0602","0.0428","","","0.1008","0.1078","","","","","","1.026","","","","has coordinates","224503","2020-10-21","18:00:00",""
"7700843","11.0312","0.0002","12.8295","0.0002","15.0553","0.0002","114.463","0.001","96.008","0.001","101.445","0.001","1858.71","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Fe2 Hg P2 -","- C44 H36 Fe2 Hg P2 -","- C88 H72 Fe4 Hg2 P4 -","2","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bannenberg, Thomas; Tamm, Matthias; Jäkle, Frieder","Diferrocenylmercury diphosphine diastereomers with unique geometries: trans-chelation at Pd(ii) with short Hg(ii)Pd(ii) contacts.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13430","13439","10.1039/c9dt02728a","","","1.54178","CuKα","","0.0284","0.026","","","0.0652","0.0665","","","","","","1.03","","","","has coordinates","224503","2020-10-21","18:00:00",""
"7700844","21.669","0.004","10.733","0.002","17.663","0.004","90","","99.85","0.03","90","","4047.4","1.5","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C95 H80 Cl4 Fe4 Hg2 P4 Pd2 -","- C95 H80 Cl4 Fe4 Hg2 P4 Pd2 -","- C190 H160 Cl8 Fe8 Hg4 P8 Pd4 -","2","0.5","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bannenberg, Thomas; Tamm, Matthias; Jäkle, Frieder","Diferrocenylmercury diphosphine diastereomers with unique geometries: trans-chelation at Pd(ii) with short Hg(ii)Pd(ii) contacts.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13430","13439","10.1039/c9dt02728a","","","1.54178","CuKα","","0.0315","0.0282","","","0.0446","0.0458","","","","","","0.928","","","","has coordinates","224503","2020-10-21","18:00:00",""
"7700845","13.3542","0.0004","13.3542","0.0004","22.3819","0.0006","90","","90","","120","","3456.71","0.17","100","0.1","100","0.1","","","","","","","","5","P 32","P 32","145","","","","- C54 H52 P2 Ru Se2 -","- C54 H52 P2 Ru Se2 -","- C162 H156 P6 Ru3 Se6 -","3","1","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","0.71073","MoKα","","0.1245","0.067","","","0.1105","0.1284","","","","","","1.003","","","","has coordinates","224505","2020-10-21","18:00:00",""
"7700846","11.57442","0.00018","42.0951","0.0006","13.615","0.0003","90","","98.1209","0.0018","90","","6567.1","0.2","99.9","0.2","99.9","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C65.5 H83.5 N4 O4.5 P Ru S4 -","- C65.5 H83.5 N4 O4.5 P Ru S4 -","- C262 H334 N16 O18 P4 Ru4 S16 -","4","2","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","0.71073","MoKα","","0.0557","0.0472","","","0.0974","0.1023","","","","","","1.001","","","","has coordinates","224505","2020-10-21","18:00:00",""
"7700847","11.1803","0.0005","14.8921","0.0006","17.3023","0.0007","96.126","0.003","93.546","0.003","100.986","0.004","2801.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H75 N4 P Ru S2 -","- C62 H75 N4 P Ru S2 -","- C124 H150 N8 P2 Ru2 S4 -","2","1","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","1.54184","CuKα","","0.0552","0.0466","","","0.1067","0.1133","","","","","","1.001","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7700848","12.4019","0.0005","20.0163","0.0008","20.6971","0.0008","76.926","0.003","88.118","0.003","89.849","0.003","5001.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C46.5 H50.5 Cl3 F3 N O5.25 P Ru S2 Se2 -","- C46.5 H50 Cl3 F3 N O5.25 P Ru S2 Se2 -","- C186 H200 Cl12 F12 N4 O21 P4 Ru4 S8 Se8 -","4","2","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","1.54184","CuKα","","0.075","0.0449","","","0.0952","0.107","","","","","","0.961","","","","has coordinates","224505","2020-10-21","18:00:00",""
"7700849","20.843","0.0004","13.9235","0.0002","18.763","0.0004","90","","107.128","0.002","90","","5203.67","0.18","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N O2 P Ru S3 -","- C55 H68 N O2 P Ru S3 -","- C220 H272 N4 O8 P4 Ru4 S12 -","4","1","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","1.54184","CuKα","","0.0715","0.0491","","","0.1031","0.1113","","","","","","1.001","","","","has coordinates,has disorder","224505","2020-10-21","18:00:00",""
"7700850","9.9055","0.0003","14.8954","0.0007","15.8159","0.0007","70.854","0.004","82.761","0.003","72.261","0.003","2098.8","0.16","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C46 H50.5 N O3 P Ru S Se2 -","- C46 H50 N O3 P Ru S Se2 -","- C92 H100 N2 O6 P2 Ru2 S2 Se4 -","2","1","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","1.54184","CuKα","","0.0391","0.0367","","","0.0947","0.0967","","","","","","1","","","","has coordinates,has disorder","224505","2020-10-21","18:00:00",""
"7700851","9.6919","0.0003","14.1709","0.0004","17.7259","0.0006","78.473","0.003","82.579","0.003","72.678","0.003","2270.91","0.13","220","0.1","220","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H62 Cl O P Ru S2 -","- C48 H62 Cl O P Ru S2 -","- C96 H124 Cl2 O2 P2 Ru2 S4 -","2","1","","Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung","4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13315","13325","10.1039/c9dt02457c","","x-ray","1.54184","CuKα","","0.0269","0.0252","","","0.0625","0.0637","","","","","","1.002","","","","has coordinates,has disorder","224505","2020-10-21","18:00:00",""
"7700852","11.8566","0.0005","14.881","0.0005","15.3961","0.0005","83.417","0.003","87.037","0.003","74.939","0.003","2605.17","0.17","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H45 Cl7 N2 O3 P2 Ru -","- C52 H45 Cl7 N2 O3 P2 Ru -","- C104 H90 Cl14 N4 O6 P4 Ru2 -","2","1","","Deng, Danfeng; Hu, Bowen; Yang, Min; Chen, Dafa","Unusual C-O bond cleavage of aromatic ethers in ruthenium complexes bearing a 2-alkoxypyridyl fragment.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13614","13621","10.1039/c9dt03020d","","x-ray","0.71073","MoKα","","0.0975","0.0746","","","0.2049","0.227","","","","","","1.056","","","","has coordinates","224470","2020-10-21","18:00:00",""
"7700853","11.7433","0.0006","19.452","0.0009","21.6447","0.0011","72.075","0.002","79.871","0.002","89.554","0.002","4625.3","0.4","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H47 Cl N2 O5.5 P2 Ru -","- C51 H47 Cl N2 O5.5 P2 Ru -","- C204 H188 Cl4 N8 O22 P8 Ru4 -","4","2","","Deng, Danfeng; Hu, Bowen; Yang, Min; Chen, Dafa","Unusual C-O bond cleavage of aromatic ethers in ruthenium complexes bearing a 2-alkoxypyridyl fragment.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13614","13621","10.1039/c9dt03020d","","","0.71073","MoKα","","0.0977","0.0636","","","0.1683","0.1919","","","","","","1.032","","","","has coordinates,has disorder","224470","2020-10-21","18:00:00",""
"7700854","10.2506","0.0004","13.7227","0.0005","17.3369","0.0006","101.813","0.001","106.734","0.001","94.584","0.001","2260.75","0.14","303","2","303.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H41 Cl3 N2 O2 P2 Ru -","- C48 H41 Cl3 N2 O2 P2 Ru -","- C96 H82 Cl6 N4 O4 P4 Ru2 -","2","1","","Deng, Danfeng; Hu, Bowen; Yang, Min; Chen, Dafa","Unusual C-O bond cleavage of aromatic ethers in ruthenium complexes bearing a 2-alkoxypyridyl fragment.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13614","13621","10.1039/c9dt03020d","","","0.71073","MoKα","","0.1404","0.0716","","","0.1565","0.1951","","","","","","1.021","","","","has coordinates,has disorder","224470","2020-10-21","18:00:00",""
"7700855","13.5226","0.0007","14.602","0.0007","14.9635","0.0006","95.196","0.001","115.07","0.001","104.09","0.002","2531.9","0.2","173","2","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C51 H47 Cl7 N2 O2 P2 Ru -","- C51 H47 Cl7 N2 O2 P2 Ru -","- C102 H94 Cl14 N4 O4 P4 Ru2 -","2","2","","Deng, Danfeng; Hu, Bowen; Yang, Min; Chen, Dafa","Unusual C-O bond cleavage of aromatic ethers in ruthenium complexes bearing a 2-alkoxypyridyl fragment.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13614","13621","10.1039/c9dt03020d","","","0.71073","MoKα","","0.0624","0.0478","","","0.1107","0.1199","","","","","","1.027","","","","has coordinates","224470","2020-10-21","18:00:00",""
"7700856","11.0674","0.0003","16.7937","0.0004","27.9584","0.0006","90","","90.985","0.001","90","","5195.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H70 B N5 -","- C55 H70 B N5 -","- C220 H280 B4 N20 -","4","1","","Mondol, Ranajit; Otten, Edwin","Structure and bonding in reduced boron and aluminium complexes with formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13981","13988","10.1039/c9dt02831e","","","1.54178","CuKα","","0.0565","0.0496","","","0.15","0.1567","","","","","","1.038","","","","has coordinates","223852","2020-10-21","18:00:00",""
"7700857","14.8381","0.0008","16.7498","0.001","18.1161","0.0019","90","","96.559","0.004","90","","4473","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H58 Al N4 Na O3 -","- C51 H58 Al N4 Na O3 -","- C204 H232 Al4 N16 Na4 O12 -","4","1","","Mondol, Ranajit; Otten, Edwin","Structure and bonding in reduced boron and aluminium complexes with formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13981","13988","10.1039/c9dt02831e","","","0.71073","MoKα","","0.052","0.0398","","","0.0973","0.1061","","","","","","1.017","","","","has coordinates,has disorder","223852","2020-10-21","18:00:00",""
"7700858","10.6556","0.0011","11.6039","0.0014","20.509","0.002","86.546","0.003","79.135","0.003","63.049","0.003","2219","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","1","","- C32 H50 Dy N3 O18 P3 -","- C32 H50 Dy N3 O18 P3 -","- C64 H100 Dy2 N6 O36 P6 -","2","1","","Huang, Xin-Da; Jia, Jia-Ge; Kurmoo, Mohamedally; Bao, Song-Song; Zheng, Li-Min","Interplay of anthracene luminescence and dysprosium magnetism by steric control of photodimerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13769","13779","10.1039/c9dt02854d","","","0.71073","MoKα","","0.0446","0.0408","","","0.1094","0.1115","","","","","","1.089","","","","has coordinates","224484","2020-10-21","18:00:00",""
"7700859","24.425","0.003","8.8853","0.0009","18.2266","0.0018","90","","111.826","0.001","90","","3672.1","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4","","- C26 H39 Dy N3 O18 P3 -","- C26 H39 Dy N3 O18 P3 -","- C104 H156 Dy4 N12 O72 P12 -","4","1","","Huang, Xin-Da; Jia, Jia-Ge; Kurmoo, Mohamedally; Bao, Song-Song; Zheng, Li-Min","Interplay of anthracene luminescence and dysprosium magnetism by steric control of photodimerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13769","13779","10.1039/c9dt02854d","","","0.71073","MoKα","","0.059","0.0438","","","0.0896","0.0959","","","","","","0.991","","","","has coordinates","224484","2020-10-21","18:00:00",""
"7700860","18.444","0.003","11.7938","0.0017","37.298","0.006","90","","101.53","0.002","90","","7950","2","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C28 H43 Dy N3 O18 P3 -","- C28 H43 Dy N3 O18 P3 -","- C224 H344 Dy8 N24 O144 P24 -","8","1","","Huang, Xin-Da; Jia, Jia-Ge; Kurmoo, Mohamedally; Bao, Song-Song; Zheng, Li-Min","Interplay of anthracene luminescence and dysprosium magnetism by steric control of photodimerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13769","13779","10.1039/c9dt02854d","","","0.71073","MoKα","","0.0623","0.0535","","","0.1428","0.1501","","","","","","1.067","","","","has coordinates","224484","2020-10-21","18:00:00",""
"7700861","10.8696","0.0008","11.0111","0.0008","17.9728","0.0014","80.515","0.001","86.576","0.001","89.819","0.001","2117.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","3","","- C30 H47 Dy N3 O18 P3 -","- C30 H47 Dy N3 O18 P3 -","- C60 H94 Dy2 N6 O36 P6 -","2","1","","Huang, Xin-Da; Jia, Jia-Ge; Kurmoo, Mohamedally; Bao, Song-Song; Zheng, Li-Min","Interplay of anthracene luminescence and dysprosium magnetism by steric control of photodimerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13769","13779","10.1039/c9dt02854d","","","0.71073","MoKα","","0.0327","0.0288","","","0.0706","0.0729","","","","","","1.038","","","","has coordinates","224484","2020-10-21","18:00:00",""
"7700862","10.118","0.002","10.424","0.003","11.089","0.003","94.043","0.004","103.437","0.004","117.66","0.004","985.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- Cs4 Nb6 O38 P2 Se2 -","- Cs4 Nb6 O38 P2 Se2 -","- Cs4 Nb6 O38 P2 Se2 -","1","0.5","","Yang, Zongfei; Mu, Qiushui; Liang, Zhijie; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A novel peroxopolyoxoniobate incorporating mixed heteroatoms: [P<sub>2</sub>Se<sub>2</sub>Nb<sub>6</sub>(O<sub>2</sub>)<sub>6</sub>O<sub>22</sub>]<sup>8-</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13135","13138","10.1039/c9dt02860a","","","0.71073","MoKα","","0.0926","0.0731","","","0.2004","0.2177","","","","","","1.066","","","","has coordinates","224508","2020-10-21","18:00:00",""
"7700863","17.4501","0.0008","18.5354","0.001","21.6356","0.0012","90","","106.174","0.002","90","","6720.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","feoetppsbcl6","","","- C61 H62 Cl9 Fe N4 Sb -","- C61 H62 Cl9 Fe N4 Sb -","- C244 H248 Cl36 Fe4 N16 Sb4 -","4","1","","Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y.","Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13820","13833","10.1039/c9dt02714a","","","0.71076","MoKα","","0.095","0.0799","","","0.2894","0.3407","","","","","","1.075","","","","has coordinates","224481","2020-10-21","18:00:00",""
"7700864","16.944","0.002","34.231","0.005","9.7978","0.0011","90","","90","","90","","5682.8","1.2","150","2","150","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C52 H44 Cl7 Fe N4 Sb -","- C52 H44 Cl7 Fe N4 Sb -","- C208 H176 Cl28 Fe4 N16 Sb4 -","4","0.5","","Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y.","Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13820","13833","10.1039/c9dt02714a","","","0.71073","MoKα","","0.039","0.0368","","","0.1213","0.1244","","","","","","1.045","","","","has coordinates","224481","2020-10-21","18:00:00",""
"7700865","39.1084","0.0018","13.0986","0.0007","38.0973","0.0019","90","","109.933","0.006","90","","18346.8","1.7","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Ag Cl3 N4 -","- C53 H47 Ag N4 -","- C848 H752 Ag16 N64 -","16","2","","Stefanelli, Manuela; Ricci, Antonella; Chiarini, Marco; Lo Sterzo, Claudio; Berionni Berna, Beatrice; Pomarico, Giuseppe; Sabuzi, Federica; Galloni, Pierluca; Fronczek, Frank R.; Smith, Kevin M.; Wang, Liping; Ou, Zhongping; Kadish, Karl M.; Paolesse, Roberto","β-Arylethynyl substituted silver corrole complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13589","13598","10.1039/c9dt03166a","","","1.54184","CuKα","","0.2061","0.16","","","0.4069","0.4357","","","","","","1.512","","","","has coordinates","224467","2020-10-21","18:00:00",""
"7700867","11.5834","0.0005","12.4815","0.0005","9.1984","0.0004","90","","90","","90","","1329.89","0.1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H10 N4 O4 Pb -","- C12 H10 N4 O4 Pb -","- C48 H40 N16 O16 Pb4 -","4","0.5","","Wu, Xiao-Shuo; Tang, Yue-Rou; Liu, Jian-Lan; Wang, Lifeng; Ren, Xiao-Ming","Comprehensively understanding the steric hindrance effect on the coordination sphere of Pb<sup>2+</sup> ions and photophysical nature of two luminescent Pb(ii)-coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13841","13849","10.1039/c9dt02928a","","","0.71073","MoKα","","0.0286","0.0194","","","0.0656","0.0695","","","","","","0.999","","","","has coordinates","224471","2020-10-21","18:00:00",""
"7700868","16.1564","0.001","15.4233","0.001","8.1906","0.0005","90","","96.808","0.002","90","","2026.6","0.2","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O6 Pb -","- C20 H16 N2 O6 Pb -","- C80 H64 N8 O24 Pb4 -","4","1","","Wu, Xiao-Shuo; Tang, Yue-Rou; Liu, Jian-Lan; Wang, Lifeng; Ren, Xiao-Ming","Comprehensively understanding the steric hindrance effect on the coordination sphere of Pb<sup>2+</sup> ions and photophysical nature of two luminescent Pb(ii)-coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13841","13849","10.1039/c9dt02928a","","","0.71073","MoKα","","0.0419","0.0357","","","0.0924","0.096","","","","","","1.101","","","","has coordinates","224471","2020-10-21","18:00:00",""
"7700869","15.139","0.006","15.844","0.006","16.702","0.007","64.615","0.007","76.626","0.009","61.703","0.008","3185","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 Ir N5 O4 -","- C62 H58 Ir N5 O4 -","- C124 H116 Ir2 N10 O8 -","2","1","","Liu, Jia-Wei; Xu, Ya-Nan; Qin, Chun-Yan; Wang, Zi-Ning; Wu, Cong-Jin; Li, Yong-Hua; Wang, Shi; Zhang, Kenneth Yin; Huang, Wei","Simple fluorene oxadiazole-based Ir(iii) complexes with AIPE properties: synthesis, explosive detection and electroluminescence studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13305","13314","10.1039/c9dt02751c","","","0.71073","MoKα","","0.1151","0.0822","","","0.1926","0.2094","","","","","","1.064","","","","has coordinates,has disorder","224493","2020-10-21","18:00:00",""
"7700870","35.2966","0.0012","28.4281","0.001","26.53","0.0009","90","","120.743","0.001","90","","22879.6","1.4","296","2","296","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C32 H290 K2 Mn16 N16 Na8 O374 Si8 W82 -","- C12 H48 K2 Mn16 N6 Na8 O374 Si8 W82 -","- C24 H96 K4 Mn32 N12 Na16 O748 Si16 W164 -","2","0.25","","Li, Hai-Lou; Lian, Chen; Yin, Da-Peng; Yang, Guo-Yu","A new octa-Mn-substituted poly(polyoxotungstate).","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14306","14311","10.1039/c9dt02805f","","","0.71073","MoKα","","0.0918","0.0593","","","0.1477","0.1599","","","","","","1.05","","","","has coordinates","224551","2020-10-21","18:00:00",""
"7700871","12.6101","0.001","13.7075","0.0011","22.0421","0.0017","91.588","0.002","97.707","0.002","116.651","0.002","3357.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H49 Cl1.5 N2 P1.5 -","- C38 H49 Cl1.5 N2 P1.5 -","- C152 H196 Cl6 N8 P6 -","4","2","","Liu, Liu Leo; Zhou, Jiliang; Kim, Youngsuk; Cao, Levy L.; Stephan, Douglas W.","Oligomerization of phosphaalkynes mediated by bulky N-heterocyclic carbenes: avenues to novel phosphorus frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14242","14245","10.1039/c9dt03185e","","","0.71073","MoKα","","0.0814","0.05","","","0.1253","0.1418","","","","","","1.022","","","","has coordinates","224554","2020-10-21","18:00:00",""
"7700872","14.69","0.008","12.143","0.007","19.672","0.01","90","","95.572","0.012","90","","3493","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 N2 P3 -","- C36 H51 N2 P3 -","- C144 H204 N8 P12 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Kim, Youngsuk; Cao, Levy L.; Stephan, Douglas W.","Oligomerization of phosphaalkynes mediated by bulky N-heterocyclic carbenes: avenues to novel phosphorus frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14242","14245","10.1039/c9dt03185e","","","0.71073","MoKα","","0.097","0.0573","","","0.1415","0.1686","","","","","","1.065","","","","has coordinates","224554","2020-10-21","18:00:00",""
"7700873","12.2","0.04","13.55","0.05","17.59","0.06","104.73","0.08","106.61","0.09","102.84","0.1","2555","16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C94.71 H147.5 N4 P6 -","- C94.71 H147.504 N4 P6 -","- C94.71 H147.504 N4 P6 -","1","0.5","","Liu, Liu Leo; Zhou, Jiliang; Kim, Youngsuk; Cao, Levy L.; Stephan, Douglas W.","Oligomerization of phosphaalkynes mediated by bulky N-heterocyclic carbenes: avenues to novel phosphorus frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14242","14245","10.1039/c9dt03185e","","","0.71073","MoKα","","0.1723","0.0808","","","0.2001","0.2549","","","","","","1.04","","","","has coordinates,has disorder","224554","2020-10-21","18:00:00",""
"7700874","15.0838","0.0005","17.4193","0.0007","17.9226","0.0007","114.874","0.004","92.656","0.003","103.883","0.003","4089.1","0.3","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C53 H111 Ce Cl2 Co3 N O29 P9 Ru -","- C53 H111 Ce Cl2 Co3 N O29 P9 Ru -","- C106 H222 Ce2 Cl4 Co6 N2 O58 P18 Ru2 -","2","1","","Cheung, Wai-Man; Au-Yeung, Ka-Chun; Wong, Kai-Hong; So, Yat-Ming; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Reactions of cerium complexes with transition metal nitrides: synthesis and structure of heterometallic cerium complexes containing bridging catecholate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13458","13465","10.1039/c9dt02959a","","x-ray","1.54184","CuKα","","0.0535","0.0394","","","0.0886","0.0937","","","","","","1.021","","","","has coordinates","224495","2020-10-21","18:00:00",""
"7700875","22.936","0.0003","13.2047","0.0002","40.2851","0.0007","90","","93.4905","0.0016","90","","12178.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 Ce Co2 N O22 P6 Ru -","- C46 H78 Ce Co2 N O22 P6 Ru -","- C368 H624 Ce8 Co16 N8 O176 P48 Ru8 -","8","1","","Cheung, Wai-Man; Au-Yeung, Ka-Chun; Wong, Kai-Hong; So, Yat-Ming; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Reactions of cerium complexes with transition metal nitrides: synthesis and structure of heterometallic cerium complexes containing bridging catecholate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13458","13465","10.1039/c9dt02959a","","x-ray","1.54184","CuKα","","0.0718","0.0582","","","0.134","0.1421","","","","","","1.017","","","","has coordinates,has disorder","224495","2020-10-21","18:00:00",""
"7700876","11.86004","0.00014","22.5385","0.0003","24.0165","0.0002","90","","99.3323","0.001","90","","6334.82","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 Ce Co2 O26 P6 Re -","- C46 H77 Ce Co2 O26 P6 Re -","- C184 H308 Ce4 Co8 O104 P24 Re4 -","4","1","","Cheung, Wai-Man; Au-Yeung, Ka-Chun; Wong, Kai-Hong; So, Yat-Ming; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Reactions of cerium complexes with transition metal nitrides: synthesis and structure of heterometallic cerium complexes containing bridging catecholate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13458","13465","10.1039/c9dt02959a","","x-ray","1.54184","CuKα","","0.045","0.0367","","","0.0902","0.0943","","","","","","1.036","","","","has coordinates,has disorder","224495","2020-10-21","18:00:00",""
"7700877","19.164","0.002","21.57","0.003","25.123","0.003","90","","90","","90","","10385","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H124 Cu2 N16 O4 S4 -","- C108 H124 Cu2 N16 O4 S4 -","- C432 H496 Cu8 N64 O16 S16 -","4","1","","Fei, Bao-Li; Tu, Shuangyan; Wei, Zuzhuang; Wang, Pingping; Long, Jian-Ying; Qiao, Chunhua; Chen, Zhen-Feng","Biological evaluation of optically pure chiral binuclear copper(ii) complexes based on a rosin derivative as highly potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15646","15656","10.1039/c9dt01942a","","","0.71073","MoKα","","0.2429","0.0814","","","0.1533","0.1877","","","","","","0.907","","","","has coordinates","223888","2020-10-21","18:00:00",""
"7700878","12.5096","0.0006","14.2481","0.0008","32.6019","0.0018","90","","90","","90","","5810.9","0.5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H62 Cl2 Cu2 N8 O2 S2 -","- C54 H62 Cl2 Cu2 N8 O2 S2 -","- C216 H248 Cl8 Cu8 N32 O8 S8 -","4","1","","Fei, Bao-Li; Tu, Shuangyan; Wei, Zuzhuang; Wang, Pingping; Long, Jian-Ying; Qiao, Chunhua; Chen, Zhen-Feng","Biological evaluation of optically pure chiral binuclear copper(ii) complexes based on a rosin derivative as highly potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15646","15656","10.1039/c9dt01942a","","","0.71073","MoKα","","0.0829","0.0519","","","0.1193","0.1275","","","","","","0.985","","","","has coordinates","223888","2020-10-21","18:00:00",""
"7700879","8.5972","0.0005","10.6737","0.0006","21.2322","0.0013","97.645","0.001","97.985","0.001","105.649","0.001","1828","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 B2 F4 N6 O2 -","- C40 H42 B2 F4 N6 O2 -","- C80 H84 B4 F8 N12 O4 -","2","1","","Kukoyi, Adedayo; Micheli, Eric A.; Liu, Beibei; He, Hongshan; May, P. Stanley","BODIPY-functionalized 1,10-phenanthroline as a long wavelength sensitizer for near-infrared emission of the ytterbium(iii) ion.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13880","13887","10.1039/c9dt02850a","","","0.71073","MoKα","","0.0748","0.0486","","","0.1111","0.1225","","","","","","1.021","","","","has coordinates,has disorder","224477","2020-10-21","18:00:00",""
"7700880","7.5072","0.0005","10.1625","0.0005","11.5906","0.0008","70.372","0.003","79.685","0.003","71.518","0.003","787.32","0.09","140","2","140.01","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 F3 N4 -","- C19 H12 F3 N4 -","- C38 H24 F6 N8 -","2","1","","Nasani, Rajendar; Sidharth, Thulaseedharan Nair Sailaja; Roy, Subhadip; Mondal, Arpan; Rawson, Jeremy M.; Konar, Sanjit","Probing through-space and through-bond magnetic exchange couplings in a new benzotriazinyl radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14189","14200","10.1039/c9dt01918a","","","0.71073","MoKα","","0.0743","0.0454","","","0.1009","0.1143","","","","","","1.044","","","","has coordinates","223841","2020-10-21","18:00:00",""
"7700881","13.6466","0.0019","23.027","0.004","21.015","0.003","90","","105.376","0.005","90","","6367.4","1.7","140","2","140.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H14 F15 N4 Ni O4 -","- C29 H14 F15 N4 Ni O4 -","- C232 H112 F120 N32 Ni8 O32 -","8","2","","Nasani, Rajendar; Sidharth, Thulaseedharan Nair Sailaja; Roy, Subhadip; Mondal, Arpan; Rawson, Jeremy M.; Konar, Sanjit","Probing through-space and through-bond magnetic exchange couplings in a new benzotriazinyl radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14189","14200","10.1039/c9dt01918a","","","0.71073","MoKα","","0.122","0.0602","","","0.0966","0.115","","","","","","1.028","","","","has coordinates,has disorder","223841","2020-10-21","18:00:00",""
"7700882","13.7227","0.0008","23.2862","0.0014","20.7274","0.0011","90","","105.37","0.003","90","","6386.5","0.6","140","2","140.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H14 F15 N4 O4 Zn -","- C29 H14 F15 N4 O4 Zn -","- C232 H112 F120 N32 O32 Zn8 -","8","2","","Nasani, Rajendar; Sidharth, Thulaseedharan Nair Sailaja; Roy, Subhadip; Mondal, Arpan; Rawson, Jeremy M.; Konar, Sanjit","Probing through-space and through-bond magnetic exchange couplings in a new benzotriazinyl radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14189","14200","10.1039/c9dt01918a","","","0.71073","MoKα","","0.1137","0.0707","","","0.176","0.2026","","","","","","1.038","","","","has coordinates,has disorder","223841","2020-10-21","18:00:00",""
"7700883","13.7407","0.0011","23.4881","0.0018","21.1641","0.0017","90","","105.5","0.004","90","","6582.1","0.9","140","2","140.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H14 Co F15 N4 O4 -","- C29 H14 Co F15 N4 O4 -","- C232 H112 Co8 F120 N32 O32 -","8","2","","Nasani, Rajendar; Sidharth, Thulaseedharan Nair Sailaja; Roy, Subhadip; Mondal, Arpan; Rawson, Jeremy M.; Konar, Sanjit","Probing through-space and through-bond magnetic exchange couplings in a new benzotriazinyl radical and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14189","14200","10.1039/c9dt01918a","","","0.71073","MoKα","","0.1783","0.0829","","","0.2291","0.2789","","","","","","1.045","","","","has coordinates,has disorder","223841","2020-10-21","18:00:00",""
"7700884","6.776","0.004","7.172","0.004","7.361","0.004","83.635","0.006","79.875","0.006","81.499","0.006","347","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Li O9 P3 Sr -","- Li O9 P3 Sr -","- Li2 O18 P6 Sr2 -","2","1","","Sun, Jun; Wu, Hongping; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Structural insights into three phosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13406","13412","10.1039/c9dt02842k","","","0.71073","MoKα","","0.0332","0.0286","","","0.0626","0.0658","","","","","","1.068","","","","has coordinates","224494","2020-10-21","18:00:00",""
"7700885","13.35","0.005","13.35","0.005","13.662","0.01","90","","90","","90","","2435","2","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Cs Li O6 P2 -","- Cs Li O6 P2 -","- Cs16 Li16 O96 P32 -","16","1","","Sun, Jun; Wu, Hongping; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Structural insights into three phosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13406","13412","10.1039/c9dt02842k","","","0.71073","MoKα","","0.0334","0.0257","","","0.052","0.0545","","","","","","1.111","","","","has coordinates","224494","2020-10-21","18:00:00",""
"7700886","7.429","0.004","7.429","0.004","10.149","0.008","90","","90","","90","","560.1","0.6","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- K2 O12 P4 Sr -","- K2 O12 P4 Sr -","- K4 O24 P8 Sr2 -","2","0.25","","Sun, Jun; Wu, Hongping; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Structural insights into three phosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13406","13412","10.1039/c9dt02842k","","","0.71073","MoKα","","0.0224","0.0219","","","0.0508","0.051","","","","","","0.905","","","","has coordinates","224494","2020-10-21","18:00:00",""
"7700887","6.416","0.0003","16.3665","0.0008","20.9513","0.001","90","","90","","90","","2200.04","0.18","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","3[BF4]","3[BF4]","","- C25 H20 B Cl F4 N2 Ru -","- C25 H20 B Cl F4 N2 Ru -","- C100 H80 B4 Cl4 F16 N8 Ru4 -","4","1","","Haghdoost, Mohammad Mehdi; Golbaghi, Golara; Guard, Juliette; Sielanczyk, Sarah; Patten, Shunmoogum A.; Castonguay, Annie","Synthesis, characterization and biological evaluation of cationic organoruthenium(ii) fluorene complexes: influence of the nature of the counteranion.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13396","13405","10.1039/c9dt00143c","","x-ray","1.54178","CuKα","","0.0525","0.0524","","","0.1289","0.129","","","","","","1.241","","","","has coordinates,has disorder","224497","2020-10-21","18:00:00",""
"7700888","9.9911","0.0003","11.213","0.0003","20.5629","0.0006","90","","94.943","0.001","90","","2295.1","0.11","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","4","","- C30 H22 Cl N O Ru -","- C30 H22 Cl N O Ru -","- C120 H88 Cl4 N4 O4 Ru4 -","4","1","","Haghdoost, Mohammad Mehdi; Golbaghi, Golara; Guard, Juliette; Sielanczyk, Sarah; Patten, Shunmoogum A.; Castonguay, Annie","Synthesis, characterization and biological evaluation of cationic organoruthenium(ii) fluorene complexes: influence of the nature of the counteranion.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13396","13405","10.1039/c9dt00143c","","x-ray","1.34139","GaKα","","0.0325","0.0286","","","0.0736","0.0768","","","","","","1.06","","","","has coordinates","224497","2020-10-21","18:00:00",""
"7700889","18.2318","0.0007","13.1222","0.0005","33.2897","0.0014","90","","105.192","0.002","90","","7685.9","0.5","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3[BPh4]","3[BPh4]","","- C49 H40 B Cl N2 Ru -","- C49 H40 B Cl N2 Ru -","- C392 H320 B8 Cl8 N16 Ru8 -","8","1","","Haghdoost, Mohammad Mehdi; Golbaghi, Golara; Guard, Juliette; Sielanczyk, Sarah; Patten, Shunmoogum A.; Castonguay, Annie","Synthesis, characterization and biological evaluation of cationic organoruthenium(ii) fluorene complexes: influence of the nature of the counteranion.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13396","13405","10.1039/c9dt00143c","","x-ray","1.34139","GaKα","","0.087","0.0751","","","0.1754","0.182","","","","","","1.145","","","","has coordinates,has disorder","224497","2020-10-21","18:00:00",""
"7700890","12.3082","0.0004","24.7061","0.001","18.5816","0.0008","90","","104.719","0.001","90","","5465","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 Cl6 Cu2 I2 N P3 -","- C54 H40 Cl6 Cu2 I2 N P3 -","- C216 H160 Cl24 Cu8 I8 N4 P12 -","4","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","","0.71073","MoKα","","0.0282","0.0255","","","0.0502","0.0512","","","","","","1.156","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700891","10.6107","0.0001","13.4082","0.0001","18.7629","0.0002","90","","93.534","0.001","90","","2664.33","0.04","180.15","","180.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H38 Cl6 Cu2 I2 N P3 -","- C53 H38 Cl6 Cu2 I2 N P3 -","- C106 H76 Cl12 Cu4 I4 N2 P6 -","2","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.34143","GaKα","","0.0769","0.0748","","","0.2003","0.2042","","","","","","1.017","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700892","15.2045","0.001","15.6811","0.0006","15.7442","0.001","90.236","0.004","106.17","0.005","116.415","0.004","3192.9","0.4","180.15","","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C60.5 H40 Cl Cu2 F18 I2 N P3 -","- C60.5 H40 Cl Cu2 F18 I2 N P3 -","- C121 H80 Cl2 Cu4 F36 I4 N2 P6 -","2","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.34143","GaKα","","0.0493","0.0434","","","0.1169","0.1198","","","","","","1.079","","","","has coordinates,has disorder","223906","2020-10-21","18:00:00",""
"7700893","10.917","0.0006","14.2236","0.001","11.8139","0.0006","90","","103.375","0.004","90","","1784.7","0.19","180.15","","180.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N P -","- C21 H22 N P -","- C84 H88 N4 P4 -","4","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","0.71073","MoKα","","0.0823","0.0456","","","0.1142","0.1272","","","","","","1.043","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700894","18.907","0.0005","12.67","0.0002","20.7952","0.0005","90","","103.21","0.002","90","","4849.71","0.19","180.15","","180.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H38 Cu2 F6 I2 N P3 -","- C53 H38 Cu2 F6 I2 N P3 -","- C212 H152 Cu8 F24 I8 N4 P12 -","4","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.54186","CuKα","","0.0272","0.0264","","","0.071","0.0714","","","","","","1.08","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700895","18.9997","0.0006","12.9197","0.0005","23.7991","0.0006","90","","102.08","0.002","90","","5712.6","0.3","180.15","","180.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H52 Cu2 F6 I2 N P3 -","- C59 H52 Cu2 F6 I2 N P3 -","- C236 H208 Cu8 F24 I8 N4 P12 -","4","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.54186","CuKα","","0.129","0.1216","","","0.292","0.2999","","","","","","1.266","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700896","12.6116","0.0007","17.2115","0.0008","27.1045","0.0009","103.391","0.003","100.214","0.004","101.155","0.004","5461.1","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H46 Cu2 F6 I2 N P3 -","- C57 H46 Cu2 F6 I2 N P3 -","- C228 H184 Cu8 F24 I8 N4 P12 -","4","2","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.34143","GaKα","","0.0534","0.0466","","","0.1309","0.1343","","","","","","1.09","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700897","11.2312","0.0002","14.2065","0.0003","21.3424","0.0004","72.122","0.001","82.348","0.001","67.366","0.001","2990.83","0.1","160.15","","160.15","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H58 Cl4 Cu2 I2 N P3 -","- C61 H58 Cl4 Cu2 I2 N P3 -","- C122 H116 Cl8 Cu4 I4 N2 P6 -","2","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.34143","GaKα","","0.0367","0.0316","","","0.0861","0.0885","","","","","","1.033","","","","has coordinates","223906","2020-10-21","18:00:00",""
"7700898","19.1297","0.0005","12.6256","0.0002","25.3784","0.0006","90","","111.373","0.002","90","","5708","0.2","180.15","","180.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Cl2 Cu2 F6 I2 N P3 -","- C60 H50 Cl2 Cu2 F6 I2 N P3 -","- C240 H200 Cl8 Cu8 F24 I8 N4 P12 -","4","1","","Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan","Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15687","15698","10.1039/c9dt02447f","","x-ray","1.54186","CuKα","","0.0572","0.0569","","","0.1359","0.136","","","","","","1.199","","","","has coordinates,has disorder","223906","2020-10-21","18:00:00",""
"7700899","8.5998","0.0008","10.061","0.0008","13.6233","0.001","96.921","0.006","105.824","0.007","100.478","0.007","1096.97","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Co N3 O6 -","- C20 H14.9998 Co N3 O4 -","- C40 H29.9996 Co2 N6 O8 -","2","1","","Mandal, Arnab; Ganguly, Sumi; Mukherjee, Somali; Das, Debasis","Green synthesis of nanoscale cobalt(ii)-based MOFs: highly efficient photo-induced green catalysts for the degradation of industrially used dyes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13869","13879","10.1039/c9dt02394a","","","0.71073","MoKα","","0.1015","0.0659","","","0.1597","0.1779","","","","","","0.999","","","","has coordinates,has disorder","224472","2020-10-21","18:00:00",""
"7700900","13.6754","0.0006","9.8645","0.0003","20.0008","0.0008","90","","109.923","0.004","90","","2536.65","0.18","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H21 Co N6 O6 -","- C26 H18 Co N6 O4 -","- C104 H72 Co4 N24 O16 -","4","0.5","","Mandal, Arnab; Ganguly, Sumi; Mukherjee, Somali; Das, Debasis","Green synthesis of nanoscale cobalt(ii)-based MOFs: highly efficient photo-induced green catalysts for the degradation of industrially used dyes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13869","13879","10.1039/c9dt02394a","","","0.71073","MoKα","","0.0748","0.065","","","0.158","0.1649","","","","","","1.048","","","","has coordinates","224472","2020-10-21","18:00:00",""
"7700901","26.23","0.004","17.688","0.002","43.297","0.006","90","","90","","90","","20088","5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H75 Ce N9 O12 P3 -","- C30 H75 Ce N9 O12 P3 -","- C480 H1200 Ce16 N144 O192 P48 -","16","2","","Gupta, Sandeep K.; Shanmugan, Swaminathan; Rajeshkumar, Thayalan; Borah, Aditya; Damjanović, Marko; Schulze, Michael; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Murugavel, Ramaswamy","A single-ion single-electron cerrous magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15928","15935","10.1039/c9dt03052b","","","0.71075","MoKα","","0.0446","0.0409","","","0.075","0.0766","","","","","","1.185","","","","has coordinates","224020","2020-10-21","18:00:00",""
"7700902","26.322","0.01","17.718","0.007","43.481","0.017","90","","90","","90","","20278","14","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H75 La N9 O12 P3 -","- C30 H75 La N9 O12 P3 -","- C480 H1200 La16 N144 O192 P48 -","16","2","","Gupta, Sandeep K.; Shanmugan, Swaminathan; Rajeshkumar, Thayalan; Borah, Aditya; Damjanović, Marko; Schulze, Michael; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Murugavel, Ramaswamy","A single-ion single-electron cerrous magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15928","15935","10.1039/c9dt03052b","","","0.71075","MoKα","","0.1581","0.1433","","","0.2423","0.2493","","","","","","1.388","","","","has coordinates","224020","2020-10-21","18:00:00",""
"7700903","7.6289","0.0008","8.5139","0.0008","9.1246","0.0009","73.463","0.002","82.196","0.001","81.571","0.002","559.23","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 Ga Li O14 P4 -","- Ba2 Ga Li O14 P4 -","- Ba4 Ga2 Li2 O28 P8 -","2","1","","Li, Y. N.; Zhao, D.; Zhang, R. J.; Li, F. F.; Shi, L. Y.; Yao, Q. X.; Han, X. Y.; Cui, X. Q.","A new diphosphate Ba<sub>2</sub>LiGa(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: synthesis, crystal structure and Eu<sup>3+</sup>-activated fluorescence performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13780","13788","10.1039/c9dt03105g","","","0.71073","MoKα","","0.0445","0.0339","","","0.0704","0.0762","","","","","","1.013","","","","has coordinates","224474","2020-10-21","18:00:00",""
"7700904","13.5289","0.0006","14.2783","0.0007","19.2066","0.001","73.046","0.005","73.172","0.005","61.89","0.003","3079","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H57 Cd3 N7 O16 -","- C60 H57 Cd3 N7 O16 -","- C120 H114 Cd6 N14 O32 -","2","1","","Liu, Yanhong; Huangfu, Mengjie; Wu, Pengyan; Jiang, Min; Zhao, Xiaoli; Liang, Lili; Xie, Liheng; Bai, Jianguo; Wang, Jian","Post-imparting Brønsted acidity into an amino-functionalized MOF as a bifunctional luminescent turn-ON sensor for the detection of aluminum ions and lysine.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13834","13840","10.1039/c9dt02962a","","","0.71073","MoKα","","0.0514","0.0492","","","0.1398","0.1416","","","","","","1.065","","","","has coordinates","224468","2020-10-21","18:00:00",""
"7700905","11.784","0.002","9.5219","0.0017","19.786","0.004","90","","107.025","0.006","90","","2122.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Br2 Mn3 N4 O12 -","- C34 H44 Br2 Mn3 N4 O12 -","- C68 H88 Br4 Mn6 N8 O24 -","2","0.5","","Sarkar, Abani; Chakraborty, Aratrika; Adhikary, Amit; Maity, Suvendu; Mandal, Arnab; Samanta, Debabrata; Ghosh, Prasanta; Das, Debasis","Exploration of catecholase-like activity of a series of magnetically coupled transition metal complexes of Mn, Co and Ni: new insights into the solution state behavior of Mn complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14164","14177","10.1039/c9dt02399b","","","0.71073","MoKα","","0.1239","0.0678","","","0.1395","0.1661","","","","","","1.038","","","","has coordinates","223842","2020-10-21","18:00:00",""
"7700906","11.4288","0.0016","9.4698","0.0013","19.605","0.003","90","","105.643","0.003","90","","2043.2","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Br2 Co3 N4 O12 -","- C34 H44 Br2 Co3 N4 O12 -","- C68 H88 Br4 Co6 N8 O24 -","2","0.5","","Sarkar, Abani; Chakraborty, Aratrika; Adhikary, Amit; Maity, Suvendu; Mandal, Arnab; Samanta, Debabrata; Ghosh, Prasanta; Das, Debasis","Exploration of catecholase-like activity of a series of magnetically coupled transition metal complexes of Mn, Co and Ni: new insights into the solution state behavior of Mn complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14164","14177","10.1039/c9dt02399b","","","0.71073","MoKα","","0.1036","0.0538","","","0.1057","0.1219","","","","","","1.028","","","","has coordinates","223842","2020-10-21","18:00:00",""
"7700907","11.1778","0.0013","9.5533","0.0011","19.611","0.002","90","","103.854","0.007","90","","2033.2","0.4","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Br2 N4 Ni3 O12 -","- C34 H44 Br2 N4 Ni3 O12 -","- C68 H88 Br4 N8 Ni6 O24 -","2","0.5","","Sarkar, Abani; Chakraborty, Aratrika; Adhikary, Amit; Maity, Suvendu; Mandal, Arnab; Samanta, Debabrata; Ghosh, Prasanta; Das, Debasis","Exploration of catecholase-like activity of a series of magnetically coupled transition metal complexes of Mn, Co and Ni: new insights into the solution state behavior of Mn complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14164","14177","10.1039/c9dt02399b","","","0.71073","MoKα","","0.1904","0.0832","","","0.1462","0.1773","","","","","","1.041","","","","has coordinates","223842","2020-10-21","18:00:00",""
"7700908","7.1269","0.0003","14.4698","0.0006","21.0732","0.0012","90","","93.014","0.004","90","","2170.16","0.18","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{(3-methoxy-2-oxidobenzylidene)ethylenediamine}-nickel(II)-trichlorido-aqua-cerium(III)","","- C18 H20 Ce Cl3 N2 Ni O5 -","- C18 H20 Ce Cl3 N2 Ni O5 -","- C72 H80 Ce4 Cl12 N8 Ni4 O20 -","4","1","","Vráblová, Anna; Tomás, Milagros; Falvello, Larry R.; Dlháň, Ľubor; Titiš, Ján; Černák, Juraj; Boča, Roman","Slow magnetic relaxation in Ni-Ln (Ln = Ce, Gd, Dy) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13943","13952","10.1039/c9dt02122a","","","0.71073","MoKα","","0.0642","0.037","","","0.099","0.1051","","","","","","0.972","","","","has coordinates","223848","2020-10-21","18:00:00",""
"7700909","7.0236","0.0003","14.3753","0.0009","20.9662","0.0013","90","","92.216","0.005","90","","2115.3","0.2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{(3-methoxy-2-oxidobenzylidene)ethylenediamine}-nickel(II)-trichlorido-aqua-gadolinium(III)","","- C18 H20 Cl3 Gd N2 Ni O5 -","- C18 H20 Cl3 Gd N2 Ni O5 -","- C72 H80 Cl12 Gd4 N8 Ni4 O20 -","4","1","","Vráblová, Anna; Tomás, Milagros; Falvello, Larry R.; Dlháň, Ľubor; Titiš, Ján; Černák, Juraj; Boča, Roman","Slow magnetic relaxation in Ni-Ln (Ln = Ce, Gd, Dy) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13943","13952","10.1039/c9dt02122a","","","0.71073","MoKα","","0.132","0.0589","","","0.0692","0.0864","","","","","","0.943","","","","has coordinates","223848","2020-10-21","18:00:00",""
"7700910","7.0094","0.0001","14.3916","0.0003","20.9556","0.0005","90","","91.833","0.002","90","","2112.85","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{(3-methoxy-2-oxidobenzylidene)ethylenediamine}-nickel(II)-trichlorido-aqua-dysprosium(III)","","- C18 H20 Cl3 Dy N2 Ni O5 -","- C18 H20 Cl3 Dy N2 Ni O5 -","- C72 H80 Cl12 Dy4 N8 Ni4 O20 -","4","1","","Vráblová, Anna; Tomás, Milagros; Falvello, Larry R.; Dlháň, Ľubor; Titiš, Ján; Černák, Juraj; Boča, Roman","Slow magnetic relaxation in Ni-Ln (Ln = Ce, Gd, Dy) dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13943","13952","10.1039/c9dt02122a","","","0.71073","MoKα","","0.0577","0.0338","","","0.0587","0.0671","","","","","","1.038","","","","has coordinates","223848","2020-10-21","18:00:00",""
"7700911","14.128","0.0004","15.0635","0.0004","14.8028","0.0004","90","","108.024","0.003","90","","2995.7","0.15","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Br2 Cl4 Dy2 N24 O4 -","- C44 H44 B4 Br2 Cl4 Dy2 N24 O4 -","- C88 H88 B8 Br4 Cl8 Dy4 N48 O8 -","2","0.5","","Reed, William R.; Dunstan, Maja A.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Mole, Richard A.; Boskovic, Colette","Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15635","15645","10.1039/c9dt01320b","","x-ray","1.54184","CuKα","","0.0351","0.0314","","","0.0751","0.0766","","","","","","1.1","","","","has coordinates","223903","2020-10-21","18:00:00",""
"7700912","14.088","0.0004","15.0798","0.0003","14.8048","0.0003","90","","107.921","0.003","90","","2992.59","0.13","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Br2 Cl4 N24 O4 Y2 -","- C44 H44 B4 Br2 Cl4 N24 O4 Y2 -","- C88 H88 B8 Br4 Cl8 N48 O8 Y4 -","2","0.5","","Reed, William R.; Dunstan, Maja A.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Mole, Richard A.; Boskovic, Colette","Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15635","15645","10.1039/c9dt01320b","","x-ray","0.71073","MoKα","","0.0352","0.0282","","","0.0685","0.0708","","","","","","1.058","","","","has coordinates","223903","2020-10-21","18:00:00",""
"7700913","11.78","0.002","18.47","0.004","12.24","0.002","90","","104.13","0.03","90","","2582.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(bis(tri(1H-pyrazol-1-yl)hydroborate)u-2,5difluoro-3,6-dihydroxy-1,4-benzoquinone diyttrium","","- C42 H42 B4 F2 N24 O5 Y2 -","- C42 H40 B4 F2 N24 O4 Y2 -","- C84 H80 B8 F4 N48 O8 Y4 -","2","0.5","","Reed, William R.; Dunstan, Maja A.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Mole, Richard A.; Boskovic, Colette","Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15635","15645","10.1039/c9dt01320b","","x-ray","0.7109","synchrotron","","0.0654","0.0451","","","0.1135","0.1263","","","","","","1.011","","","","has coordinates","223903","2020-10-21","18:00:00",""
"7700914","11.79","0.002","18.47","0.004","12.25","0.003","90","","104.23","0.03","90","","2585.7","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(bis(tris(1H-pyrazol-1-yl)hydroborate))u-2,5-dibromo-3,6-dihydroxy-1,4-benzoquinone didysprosium","","- C42 H42 B4 Dy2 F2 N24 O5 -","- C42 H40 B4 Dy2 F2 N24 O4 -","- C84 H80 B8 Dy4 F4 N48 O8 -","2","0.5","","Reed, William R.; Dunstan, Maja A.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Mole, Richard A.; Boskovic, Colette","Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15635","15645","10.1039/c9dt01320b","","x-ray","0.7109","synchrotron","","0.0456","0.0331","","","0.0803","0.0855","","","","","","1.04","","","","has coordinates","223903","2020-10-21","18:00:00",""
"7700915","12.1819","0.0009","13.8261","0.001","20.0905","0.0014","71.646","0.004","75.37","0.004","85.803","0.004","3107.5","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Cl N5 O4 Re -","- C27 H21 Cl N5 O4 Re -","- C108 H84 Cl4 N20 O16 Re4 -","4","2","","Wang, Jinhui; Poirot, Alexandre; Delavaux-Nicot, Béatrice; Wolff, Mariusz; Mallet-Ladeira, Sonia; Calupitan, Jan Patrick; Allain, Clémence; Benoist, Eric; Fery-Forgues, Suzanne","Optimization of aggregation-induced phosphorescence enhancement in mononuclear tricarbonyl rhenium(i) complexes: the influence of steric hindrance and isomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15906","15916","10.1039/c9dt02786f","","","0.71073","MoKα","","0.1065","0.0642","","","0.1951","0.2481","","","","","","1.091","","","","has coordinates,has disorder","224015","2020-10-21","18:00:00",""
"7700916","8.0086","0.0003","10.5904","0.0004","25.9678","0.0009","90","","90","","90","","2202.44","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 Cl N5 O4 Re -","- C23 H13 Cl N5 O4 Re -","- C92 H52 Cl4 N20 O16 Re4 -","4","1","","Wang, Jinhui; Poirot, Alexandre; Delavaux-Nicot, Béatrice; Wolff, Mariusz; Mallet-Ladeira, Sonia; Calupitan, Jan Patrick; Allain, Clémence; Benoist, Eric; Fery-Forgues, Suzanne","Optimization of aggregation-induced phosphorescence enhancement in mononuclear tricarbonyl rhenium(i) complexes: the influence of steric hindrance and isomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15906","15916","10.1039/c9dt02786f","","","0.71073","MoKα","","0.0525","0.0281","","","0.0391","0.0441","","","","","","1.06","","","","has coordinates","224015","2020-10-21","18:00:00",""
"7700917","8.953","0.003","9.085","0.003","13.399","0.004","80.373","0.004","76.566","0.004","78.668","0.004","1030.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Cl N5 O4 Re -","- C18 H21 Cl N5 O4 Re -","- C36 H42 Cl2 N10 O8 Re2 -","2","1","","Hellman, Ashley N.; Haiges, Ralf; Marinescu, Smaranda C.","Rhenium bipyridine catalysts with hydrogen bonding pendant amines for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14251","14255","10.1039/c9dt02689d","","","0.71073","MoKα","","0.0259","0.0219","","","0.0488","0.0501","","","","","","1.068","","","","has coordinates","224560","2020-10-21","18:00:00",""
"7700918","7.333","0.002","8.821","0.003","13.059","0.004","91.69","0.004","99.041","0.004","107.903","0.004","791.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl N3 O3 Re -","- C15 H13 Cl N3 O3 Re -","- C30 H26 Cl2 N6 O6 Re2 -","2","1","","Hellman, Ashley N.; Haiges, Ralf; Marinescu, Smaranda C.","Rhenium bipyridine catalysts with hydrogen bonding pendant amines for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14251","14255","10.1039/c9dt02689d","","","0.71073","MoKα","","0.0162","0.0157","","","0.0381","0.0384","","","","","","1.087","","","","has coordinates","224560","2020-10-21","18:00:00",""
"7700919","8.912","0.003","8.957","0.003","12.03","0.004","84.241","0.005","87.294","0.005","79.875","0.005","940.1","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl N4 O4 Re -","- C17 H18 Cl N4 O4 Re -","- C34 H36 Cl2 N8 O8 Re2 -","2","1","","Hellman, Ashley N.; Haiges, Ralf; Marinescu, Smaranda C.","Rhenium bipyridine catalysts with hydrogen bonding pendant amines for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14251","14255","10.1039/c9dt02689d","","","0.71073","MoKα","","0.0206","0.0198","","","0.0495","0.0499","","","","","","1.072","","","","has coordinates","224560","2020-10-21","18:00:00",""
"7700920","9.368","0.005","11.275","0.006","11.587","0.006","75.978","0.009","76.488","0.008","81.595","0.008","1149.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Ashley_bisNMe2","","","- C18 H19 Cl4 N4 O3 Re -","- C18 H19 Cl4 N4 O3 Re -","- C36 H38 Cl8 N8 O6 Re2 -","2","1","","Hellman, Ashley N.; Haiges, Ralf; Marinescu, Smaranda C.","Rhenium bipyridine catalysts with hydrogen bonding pendant amines for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14251","14255","10.1039/c9dt02689d","","","0.71073","MoKα","","0.1429","0.1016","","","0.2579","0.2963","","","","","","1.028","","","","has coordinates","224560","2020-10-21","18:00:00",""
"7700921","19.601","0.004","9.3797","0.0019","18.63","0.004","90","","95.69","0.03","90","","3408.3","1.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H68 Co N6 O17 -","- C24 H6 Co N3 O11 -","- C96 H24 Co4 N12 O44 -","4","1","","Ma, Hui-Yan; Zhang, Yong-Zheng; Yan, Hui; Zhang, Wen-Jie; Li, Yun-Wu; Wang, Su-Na; Li, Da-Cheng; Dou, Jian-Min; Li, Jian-Rong","Two microporous Co<sup>II</sup>-MOFs with dual active sites for highly selective adsorption of CO<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13541","13545","10.1039/c9dt02694k","","","0.71073","MoKα","","0.2352","0.1492","","","0.3669","0.4167","","","","","","1.13","","","","has coordinates","224478","2020-10-21","18:00:00",""
"7700922","17.6254","0.0016","19.9755","0.0015","15.3066","0.0011","90","","104.504","0.008","90","","5217.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H62 Co N8 Na2 O18 -","- C46 H28 Co N6 Na2 O18 -","- C184 H112 Co4 N24 Na8 O72 -","4","0.5","","Ma, Hui-Yan; Zhang, Yong-Zheng; Yan, Hui; Zhang, Wen-Jie; Li, Yun-Wu; Wang, Su-Na; Li, Da-Cheng; Dou, Jian-Min; Li, Jian-Rong","Two microporous Co<sup>II</sup>-MOFs with dual active sites for highly selective adsorption of CO<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13541","13545","10.1039/c9dt02694k","","","1.54184","CuKα","","0.1261","0.1128","","","0.3335","0.3526","","","","","","1.105","","","","has coordinates","224478","2020-10-21","18:00:00",""
"7700923","25.109","0.002","14.9811","0.0013","28.785","0.002","90","","105.488","0.002","90","","10434.6","1.4","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12 H36 La3 N3 O141 P4 W34 -","- C12 H36 La3 N3 O141 P4 W34 -","- C24 H72 La6 N6 O282 P8 W68 -","2","1","","Wu, Hechen; Zhi, Minna; Chen, Chunli; Zhu, Yanhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, characterization, and photoluminescence properties of three two-dimensional lanthanide-containing Dawson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13850","13857","10.1039/c9dt02710f","","","0.71073","MoKα","","0.0789","0.0565","","","0.1343","0.1489","","","","","","1.017","","","","has coordinates","224482","2020-10-21","18:00:00",""
"7700924","25.252","0.003","15.1277","0.0016","28.898","0.003","90","","105.328","0.0018","90","","10646","2","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12 H36 N3 O143 P4 Pr3 W34 -","- C12 H36 N3 O143 P4 Pr3 W34 -","- C24 H72 N6 O286 P8 Pr6 W68 -","2","1","","Wu, Hechen; Zhi, Minna; Chen, Chunli; Zhu, Yanhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, characterization, and photoluminescence properties of three two-dimensional lanthanide-containing Dawson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13850","13857","10.1039/c9dt02710f","","","0.71073","MoKα","","0.1026","0.0649","","","0.1419","0.1649","","","","","","1.015","","","","has coordinates,has disorder","224482","2020-10-21","18:00:00",""
"7700925","25.251","0.003","15.1759","0.0017","28.933","0.003","90","","105.394","0.002","90","","10690","2","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12 H36 Ce3 N3 O143 P4 W34 -","- C12 H36 Ce3 N3 O143 P4 W34 -","- C24 H72 Ce6 N6 O286 P8 W68 -","2","1","","Wu, Hechen; Zhi, Minna; Chen, Chunli; Zhu, Yanhong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, characterization, and photoluminescence properties of three two-dimensional lanthanide-containing Dawson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13850","13857","10.1039/c9dt02710f","","","0.71073","MoKα","","0.0963","0.0597","","","0.1357","0.1561","","","","","","1.009","","","","has coordinates","224482","2020-10-21","18:00:00",""
"7700926","12.726","0.006","15.716","0.008","17.246","0.008","110.283","0.007","93.222","0.004","107.949","0.005","3026","3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H72 B2 F48 Pd2 -","- C116 H70 B2 F48 Pd2 -","- C116 H70 B2 F48 Pd2 -","1","0.5","","Yamashita, Mitsuki; Horiuchi, Shinnosuke; Yamamoto, Koji; Murahashi, Tetsuro","Photo-induced translocation of a Pd<sub>n</sub> moiety (n = 2, 7) on a conjugated polyene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13149","13153","10.1039/c9dt03073e","","","0.71075","MoKα","","0.1186","0.0825","","","0.1954","0.2197","","","","","","0.958","","","","has coordinates,has disorder","224490","2020-10-21","18:00:00",""
"7700927","12.4141","0.0005","12.8906","0.0005","25.8186","0.0012","77.2397","0.0011","75.0973","0.0011","81.3244","0.0009","3874.6","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H152 B2 F48 Pd7 -","- C158 H152 B2 F48 Pd7 -","- C158 H152 B2 F48 Pd7 -","1","0.5","","Yamashita, Mitsuki; Horiuchi, Shinnosuke; Yamamoto, Koji; Murahashi, Tetsuro","Photo-induced translocation of a Pd<sub>n</sub> moiety (n = 2, 7) on a conjugated polyene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13149","13153","10.1039/c9dt03073e","","","0.71075","MoKα","","0.1524","0.0668","","","0.1553","0.1953","","","","","","1.031","","","","has coordinates,has disorder","224490","2020-10-21","18:00:00",""
"7700928","11.8586","0.0006","12.414","0.0006","12.6961","0.0006","60.817","0.002","83.284","0.002","73.222","0.002","1561.69","0.14","100","2","100","2","","","","","","","synthetical product","7","P 1","P 1","1","tris(acetonitrile)-(2,2',2''-ethane-1,1,1-triyltripyridinato)iron(II)bis(trifluoromethanesulfonate) acetonitrile solvate (2:1)","tris(acetonitrile)-(2,2',2''-ethane-1,1,1-triyltripyridinato)iron(II)bis(trifluoromethanesulfonate) acetonitrile solvate (2:1)","","- C52 H51 F12 Fe2 N13 O12 S4 -","- C52 H51 F12 Fe2 N13 O12 S4 -","- C52 H51 F12 Fe2 N13 O12 S4 -","1","1","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Mösch-Zanetti, Nadia C; Belaj, Ferdinand; Mayilmurugan, Ramasamy","Bioinspired models for an unusual 3-histidine motif of diketone dioxygenase enzyme.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14326","14336","10.1039/c9dt02518a","","","0.71073","MoKα","","0.0417","0.04","","","0.1117","0.1129","","","","","","1.045","","","","has coordinates,has disorder","224555","2020-10-21","18:00:00",""
"7700929","9.876","0.0003","10.6624","0.0004","15.3841","0.0005","78.8256","0.0014","80.6086","0.0013","81.4425","0.0014","1556.43","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl2 N5 P Ru -","- C34 H32 Cl2 N5 P Ru -","- C68 H64 Cl4 N10 P2 Ru2 -","2","1","","Sole, Roberto; Bortoluzzi, Marco; Spannenberg, Anke; Tin, Sergey; Beghetto, Valentina; de Vries, Johannes G.","Synthesis, characterization and catalytic activity of novel ruthenium complexes bearing NNN click based ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13580","13588","10.1039/c9dt01822k","","","1.54178","CuKα","","0.0262","0.0237","","","0.0588","0.0604","","","","","","1.042","","","","has coordinates","224475","2020-10-21","18:00:00",""
"7700930","8.6584","0.0017","25.153","0.005","14.15","0.003","90","","106.892","0.003","90","","2948.7","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 Dy2 N2 O16 S6 -","- C60 H48 Dy2 N2 O16 S6 -","- C120 H96 Dy4 N4 O32 S12 -","2","0.5","","Biswas, Soumava; Mandal, Leena; Shen, Yongbing; Yamashita, Masahiro","Exploration of SMM behavior of Ln<sub>2</sub> complexes derived from thianaphthene-2-carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14096","14102","10.1039/c9dt01984g","","","0.71073","MoKα","","0.0762","0.0509","","","0.1357","0.1598","","","","","","1.037","","","","has coordinates","223855","2020-10-21","18:00:00",""
"7700931","8.656","0.003","25.176","0.008","14.15","0.005","90","","106.742","0.004","90","","2952.9","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N2 O16 S6 Tb2 -","- C60 H48 N2 O16 S6 Tb2 -","- C120 H96 N4 O32 S12 Tb4 -","2","0.5","","Biswas, Soumava; Mandal, Leena; Shen, Yongbing; Yamashita, Masahiro","Exploration of SMM behavior of Ln<sub>2</sub> complexes derived from thianaphthene-2-carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14096","14102","10.1039/c9dt01984g","","","0.71073","MoKα","","0.1114","0.0765","","","0.1586","0.1813","","","","","","1.131","","","","has coordinates,has disorder","223855","2020-10-21","18:00:00",""
"7700932","8.683","0.003","25.161","0.008","14.182","0.005","90","","107.162","0.006","90","","2960.4","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N2 O16 S6 Y2 -","- C60 H48 N2 O16 S6 Y2 -","- C120 H96 N4 O32 S12 Y4 -","2","0.5","","Biswas, Soumava; Mandal, Leena; Shen, Yongbing; Yamashita, Masahiro","Exploration of SMM behavior of Ln<sub>2</sub> complexes derived from thianaphthene-2-carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14096","14102","10.1039/c9dt01984g","","","0.71073","MoKα","","0.101","0.0813","","","0.2211","0.2446","","","","","","1.116","","","","has coordinates","223855","2020-10-21","18:00:00",""
"7700933","10.142","0.003","14.635","0.005","17.205","0.005","86.535","0.006","89.821","0.006","77.971","0.006","2492.9","1.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl2 O2 S Ti -","- C60 H56 Cl2 O2 S Ti -","- C120 H112 Cl4 O4 S2 Ti2 -","2","1","","Song, Tingting; He, Jianghao; Liang, Liwei; Liu, Ning; Li, Feng; Tong, Xiaobo; Mu, Xiaoyue; Mu, Ying","Titanium and zirconium complexes bearing new tridentate [OSO] bisphenolato-based ligands: synthesis, characterization and catalytic properties for alkene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13719","13731","10.1039/c9dt03225h","","","0.71073","MoKα","","0.1158","0.0769","","","0.1919","0.2407","","","","","","0.987","","","","has coordinates","224485","2020-10-21","18:00:00",""
"7700934","14.4804","0.0004","25.1371","0.0007","29.5376","0.0007","90","","90","","90","","10751.5","0.5","173","","173","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C46 H60 Cl6 O3 S Zr -","- C46 H60 Cl6 O3 S Zr -","- C368 H480 Cl48 O24 S8 Zr8 -","8","0.5","","Song, Tingting; He, Jianghao; Liang, Liwei; Liu, Ning; Li, Feng; Tong, Xiaobo; Mu, Xiaoyue; Mu, Ying","Titanium and zirconium complexes bearing new tridentate [OSO] bisphenolato-based ligands: synthesis, characterization and catalytic properties for alkene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13719","13731","10.1039/c9dt03225h","","","0.71073","MoKα","","0.1043","0.0822","","","0.208","0.2231","","","","","","1.081","","","","has coordinates","224485","2020-10-21","18:00:00",""
"7700935","15.5858","0.0011","18.7525","0.0011","17.3122","0.0012","90","","107.126","0.003","90","","4835.5","0.6","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H62 Cl5 N O2 S Ti -","- C37 H62 Cl5 N O2 S Ti -","- C148 H248 Cl20 N4 O8 S4 Ti4 -","4","1","","Song, Tingting; He, Jianghao; Liang, Liwei; Liu, Ning; Li, Feng; Tong, Xiaobo; Mu, Xiaoyue; Mu, Ying","Titanium and zirconium complexes bearing new tridentate [OSO] bisphenolato-based ligands: synthesis, characterization and catalytic properties for alkene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13719","13731","10.1039/c9dt03225h","","","0.71073","MoKα","","0.0763","0.0565","","","0.1187","0.135","","","","","","1.057","","","","has coordinates","224485","2020-10-21","18:00:00",""
"7700936","11.052","0.0002","12.8732","0.0002","36.3933","0.0006","90","","98.665","0.002","90","","5118.74","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H59 P3 Ru Zn -","- C55 H45 P3 Ru Zn -","- C220 H180 P12 Ru4 Zn4 -","4","1","","O'Leary, Niall; Miloserdov, Fedor M.; Mahon, Mary F.; Whittlesey, Michael K.","Transforming PPh<sub>3</sub> into bidentate phosphine ligands at Ru-Zn heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14000","14009","10.1039/c9dt03106e","","","0.71073","MoKα","","0.0321","0.0297","","","0.0662","0.0671","","","","","","1.119","","","","has coordinates","223840","2020-10-21","18:00:00",""
"7700937","17.33241","0.00012","23.86672","0.00017","33.9755","0.0003","90","","90","","90","","14054.6","0.19","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H75 P3 Ru Zn -","- C89 H75 P3 Ru Zn -","- C712 H600 P24 Ru8 Zn8 -","8","1","","O'Leary, Niall; Miloserdov, Fedor M.; Mahon, Mary F.; Whittlesey, Michael K.","Transforming PPh<sub>3</sub> into bidentate phosphine ligands at Ru-Zn heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14000","14009","10.1039/c9dt03106e","","x-ray","1.54184","CuKα","","0.0346","0.0293","","","0.0715","0.0749","","","","","","1.014","","","","has coordinates","223840","2020-10-21","18:00:00",""
"7700938","10.8687","0.0002","12.1871","0.0003","20.5157","0.0005","79.451","0.002","81.396","0.002","80.252","0.002","2613.16","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H53 O0.5 P3 Ru Zn -","- C63 H49 P3 Ru Zn -","- C126 H98 P6 Ru2 Zn2 -","2","1","","O'Leary, Niall; Miloserdov, Fedor M.; Mahon, Mary F.; Whittlesey, Michael K.","Transforming PPh<sub>3</sub> into bidentate phosphine ligands at Ru-Zn heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14000","14009","10.1039/c9dt03106e","","x-ray","1.54184","CuKα","","0.0338","0.0306","","","0.0734","0.0755","","","","","","1.028","","","","has coordinates,has disorder","223840","2020-10-21","18:00:00",""
"7700939","14.0644","0.0005","13.7583","0.0005","20.81","0.0007","90","","109.162","0.002","90","","3803.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H56 Cl O2 P Pd -","- C43 H56 Cl O2 P Pd -","- C172 H224 Cl4 O8 P4 Pd4 -","4","1","","Rama, Raquel J.; Maya, Celia; Nicasio, M. Carmen","Palladium-mediated intramolecular dearomatization of ligated dialkylterphenyl phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14575","14579","10.1039/c9dt03201k","","x-ray","0.71073","MoKα","","0.0582","0.0399","","","0.0947","0.1057","","","","","","1.044","","","","has coordinates","224043","2020-10-21","18:00:00",""
"7700940","11.8653","0.0005","12.3384","0.0005","12.5433","0.0005","82.432","0.002","75.828","0.002","69.56","0.002","1666.18","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H46 Cl O P Pd -","- C39 H46 Cl O P Pd -","- C78 H92 Cl2 O2 P2 Pd2 -","2","1","","Rama, Raquel J.; Maya, Celia; Nicasio, M. Carmen","Palladium-mediated intramolecular dearomatization of ligated dialkylterphenyl phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14575","14579","10.1039/c9dt03201k","","","0.56086","AgKα","","0.052","0.0364","","","0.0801","0.093","","","","","","1.063","","","","has coordinates","224043","2020-10-21","18:00:00",""
"7700941","15.8449","0.0006","13.447","0.0006","15.8973","0.0006","90","","118.137","0.0014","90","","2986.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl P Pd -","- C34 H40 Cl P Pd -","- C136 H160 Cl4 P4 Pd4 -","4","1","","Rama, Raquel J.; Maya, Celia; Nicasio, M. Carmen","Palladium-mediated intramolecular dearomatization of ligated dialkylterphenyl phosphines.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14575","14579","10.1039/c9dt03201k","","","0.56086","AgKα","","0.0497","0.0346","","","0.0858","0.0933","","","","","","0.901","","","","has coordinates","224043","2020-10-21","18:00:00",""
"7700942","17.6959","0.0019","19.509","0.002","25.994","0.003","79.22","0.001","87.641","0.002","63.613","0.001","7888.1","1.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C159 H143 Cl18 Cu13 P4 Se13 -","- C151 H127 Cl2 Cu13 P4 Se13 -","- C302 H254 Cl4 Cu26 P8 Se26 -","2","1","","Ke, Feng; Song, Yongbo; Li, Hao; Zhou, Chuanjun; Du, Yuanxin; Zhu, Manzhou","Sub-nanometer Cu(i) clusters: coordination-modulated (Se vs. S) atom-packing mode and emission.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13921","13924","10.1039/c9dt02908g","","","0.71073","MoKα","","0.1187","0.062","","","0.1522","0.1752","","","","","","1.007","","","","has coordinates","223844","2020-10-21","18:00:00",""
"7700943","14.5962","0.0004","17.204","0.0004","17.6348","0.0005","90","","109.876","0.003","90","","4164.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 Mn3 N12 O7 -","- C41 H50 Mn3 N12 O7 -","- C164 H200 Mn12 N48 O28 -","4","0.5","","Bikas, Rahman; Shahmoradi, Elaheh; Reinoso, Santiago; Emami, Marzieh; Lezama, Luis; Sanchiz, Joaquín; Noshiranzadeh, Nader","The effect of the orientation of the Jahn-Teller distortion on the magnetic interactions of trinuclear mixed-valence Mn(ii)/Mn(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13799","13812","10.1039/c9dt01652j","","","1.54184","CuKα","","0.0422","0.0364","","","0.0918","0.0961","","","","","","1.029","","","","has coordinates,has disorder","224480","2020-10-21","18:00:00",""
"7700944","13.06284","0.00012","27.2891","0.0003","13.51506","0.00011","90","","92.8012","0.0008","90","","4812","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 Mn3 N12 O11 -","- C45 H58 Mn3 N12 O11 -","- C180 H232 Mn12 N48 O44 -","4","1","","Bikas, Rahman; Shahmoradi, Elaheh; Reinoso, Santiago; Emami, Marzieh; Lezama, Luis; Sanchiz, Joaquín; Noshiranzadeh, Nader","The effect of the orientation of the Jahn-Teller distortion on the magnetic interactions of trinuclear mixed-valence Mn(ii)/Mn(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13799","13812","10.1039/c9dt01652j","","","1.54184","CuKα","","0.0366","0.0315","","","0.0767","0.0789","","","","","","1.032","","","","has coordinates","224480","2020-10-21","18:00:00",""
"7700945","13.1976","0.0003","27.4846","0.0006","13.6058","0.0003","90","","93.0647","0.0018","90","","4928.18","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 Mn3 N12 O11 -","- C45 H58 Mn3 N12 O11 -","- C180 H232 Mn12 N48 O44 -","4","1","","Bikas, Rahman; Shahmoradi, Elaheh; Reinoso, Santiago; Emami, Marzieh; Lezama, Luis; Sanchiz, Joaquín; Noshiranzadeh, Nader","The effect of the orientation of the Jahn-Teller distortion on the magnetic interactions of trinuclear mixed-valence Mn(ii)/Mn(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13799","13812","10.1039/c9dt01652j","","","0.71073","MoKα","","0.0558","0.043","","","0.0933","0.0996","","","","","","1.087","","","","has coordinates","224480","2020-10-21","18:00:00",""
"7700946","17.5514","0.0004","17.5514","0.0004","13.1932","0.0006","90","","90","","120","","3519.7","0.2","123","2","123","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H74 Cl2 Ho3 N9 O18 -","- C45 H73.9996 Cl1.9999 Ho3 N9 O17.9998 -","- C90 H147.999 Cl3.9998 Ho6 N18 O35.9996 -","2","0.333333","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.0411","0.0328","","","0.0873","0.0912","","","","","","1.049","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700947","15.64","0.0009","15.64","0.0009","25.8676","0.0017","90","","90","","120","","5479.7","0.6","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H106 Dy6 N12 O44 -","- C42 H106 Dy6 N12 O43.9998 -","- C126 H317.999 Dy18 N36 O131.999 -","3","0.166667","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.036","0.0262","","","0.0552","0.0587","","","","","","1.059","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700948","17.5762","0.0006","17.5762","0.0006","13.1892","0.0007","90","","90","","120","","3528.6","0.3","123","2","123","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H74 Cl2 N9 O18 Tb3 -","- C45 H73.9996 Cl1.9999 N9 O17.9998 Tb3 -","- C90 H147.999 Cl3.9998 N18 O35.9996 Tb6 -","2","0.333333","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.0387","0.0351","","","0.0881","0.0916","","","","","","1.101","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700949","17.5986","0.0003","17.5986","0.0003","13.1888","0.0005","90","","90","","120","","3537.47","0.16","123","2","123","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H74 Cl2 Dy3 N9 O18 -","- C45 H73.9996 Cl1.9999 Dy3 N9 O17.9998 -","- C90 H147.999 Cl3.9998 Dy6 N18 O35.9996 -","2","0.333333","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.0252","0.0233","","","0.0683","0.0693","","","","","","1.122","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700950","9.2177","0.0002","16.4957","0.0003","17.2738","0.0004","90","","94.269","0.001","90","","2619.24","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Eu N3 O8 -","- C27 H22 Eu N3 O8 -","- C108 H88 Eu4 N12 O32 -","4","1","","Liu, Ge; Lu, Yu-Ke; Ma, Yao-Yu; Wang, Xiao-Qing; Hou, Lei; Wang, Yao-Yu","Syntheses of three new isostructural lanthanide coordination polymers with tunable emission colours through bimetallic doping, and their luminescence sensing properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13607","13613","10.1039/c9dt02733e","","","0.71073","MoKα","","0.015","0.0144","","","0.0346","0.0349","","","","","","1.053","","","","has coordinates","224469","2020-10-21","18:00:00",""
"7700951","9.2005","0.0002","16.8932","0.0004","17.2386","0.0005","90","","94.641","0.001","90","","2670.54","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Gd N3 O8 -","- C27 H22 Gd N3 O8 -","- C108 H88 Gd4 N12 O32 -","4","1","","Liu, Ge; Lu, Yu-Ke; Ma, Yao-Yu; Wang, Xiao-Qing; Hou, Lei; Wang, Yao-Yu","Syntheses of three new isostructural lanthanide coordination polymers with tunable emission colours through bimetallic doping, and their luminescence sensing properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13607","13613","10.1039/c9dt02733e","","","0.71073","MoKα","","0.0273","0.0224","","","0.0469","0.0493","","","","","","1.084","","","","has coordinates","224469","2020-10-21","18:00:00",""
"7700952","9.1799","0.0004","16.9038","0.0007","17.1899","0.0008","90","","94.767","0.001","90","","2658.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N3 O8 Tb -","- C27 H22 N3 O8 Tb -","- C108 H88 N12 O32 Tb4 -","4","1","","Liu, Ge; Lu, Yu-Ke; Ma, Yao-Yu; Wang, Xiao-Qing; Hou, Lei; Wang, Yao-Yu","Syntheses of three new isostructural lanthanide coordination polymers with tunable emission colours through bimetallic doping, and their luminescence sensing properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13607","13613","10.1039/c9dt02733e","","","0.71073","MoKα","","0.0271","0.0226","","","0.049","0.0509","","","","","","1.076","","","","has coordinates","224469","2020-10-21","18:00:00",""
"7700953","12.9102","0.0011","10.9571","0.001","28.288","0.003","90","","93.607","0.001","90","","3993.6","0.7","125","2","125.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H69 N O3 Zn2 -","- C41 H69 N O3 Zn2 -","- C164 H276 N4 O12 Zn8 -","4","1","","Liu, Yi; Dawe, Louise N.; Kozak, Christopher M.","Bimetallic and trimetallic zinc amino-bis(phenolate) complexes for ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13699","13710","10.1039/c9dt03118a","","","0.71073","MoKα","","0.0382","0.0289","","","0.0683","0.0721","","","","","","1.027","","","","has coordinates","224476","2020-10-21","18:00:00",""
"7700954","13.4644","0.0009","28.1652","0.0019","20.0841","0.0014","90","","104.208","0.001","90","","7383.5","0.9","125","2","125.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H116 N2 O6 Zn3 -","- C72 H116 N2 O6 Zn3 -","- C288 H464 N8 O24 Zn12 -","4","1","","Liu, Yi; Dawe, Louise N.; Kozak, Christopher M.","Bimetallic and trimetallic zinc amino-bis(phenolate) complexes for ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13699","13710","10.1039/c9dt03118a","","","0.71073","MoKα","","0.0805","0.0426","","","0.0871","0.0995","","","","","","1.013","","","","has coordinates,has disorder","224476","2020-10-21","18:00:00",""
"7700955","14.2621","0.0005","14.2621","0.0005","16.1314","0.0006","90","","90","","120","","2841.64","0.18","285","","285","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al53 Ba6 Pt21.92 -","- Al53 Ba6 Pt21.922 -","- Al106 Ba12 Pt43.844 -","2","0.0833333","","Stegemann, Frank; Touzani, Rachid Stefan; Janka, Oliver","Unusually strong heteroatomic bonding in the complex polyanion of intermetallic Ba<sub>6</sub>Pt<sub>22</sub>Al<sub>53</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14103","14114","10.1039/c9dt02653c","","x-ray","0.71073","MoKα","","0.0511","0.0261","","","0.0484","0.0537","","","","1.26","1.26","1.09","","","","has coordinates","223846","2020-10-21","18:00:00",""
"7700956","14.249","0.0002","14.249","0.0002","16.1127","0.0003","90","","90","","120","","2833.14","0.08","90","","90","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al53 Ba6 Pt21.96 -","- Al53 Ba6 Pt21.964 -","- Al106 Ba12 Pt43.928 -","2","0.0833333","","Stegemann, Frank; Touzani, Rachid Stefan; Janka, Oliver","Unusually strong heteroatomic bonding in the complex polyanion of intermetallic Ba<sub>6</sub>Pt<sub>22</sub>Al<sub>53</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14103","14114","10.1039/c9dt02653c","","x-ray","0.71073","MoKα","","0.0328","0.0221","","","0.0573","0.0594","","","","1.93","1.93","1.73","","","","has coordinates","223846","2020-10-21","18:00:00",""
"7700957","14.6516","0.0002","15.3311","0.0003","20.0375","0.0005","92.916","0.001","95.482","0.001","92.327","0.001","4469.86","0.15","190","2","190","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H116 Cl3 La N4 O30 P4 -","- C68 H116 Cl3 La N4 O30 P4 -","- C136 H232 Cl6 La2 N8 O60 P8 -","2","1","","Guagnini, Francesca; Pedrini, Alessandro; Swager, Timothy M.; Massera, Chiara; Dalcanale, Enrico","Solvent-responsive cavitand lanthanum complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13732","13739","10.1039/c9dt03199e","","","0.71073","MoKα","","0.0719","0.0498","","","0.1248","0.1389","","","","","","1.015","","","","has coordinates,has disorder","224473","2020-10-21","18:00:00",""
"7700958","7.2134","0.0006","12.8966","0.0011","15.8428","0.0013","90","","95.387","0.001","90","","1467.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl2 Cu2 N8 O4 -","- C30 H22 Cl2 Cu2 N8 O4 -","- C60 H44 Cl4 Cu4 N16 O8 -","2","0.5","","Zheng, Xubin; Fan, Ruiqing; Lu, Haoyang; Wang, Bowen; Wu, Jingkun; Wang, Ping; Yang, Yulin","A dual-emitting Tb(iii)&Yb(iii)-functionalized coordination polymer: a ""turn-on"" sensor for N-methylformamide in urine and a ""turn-off"" sensor for methylglyoxal in serum.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14408","14417","10.1039/c9dt02643f","","","0.71073","MoKα","","0.0434","0.0322","","","0.0812","0.0865","","","","","","1.038","","","","has coordinates","224561","2020-10-21","18:00:00",""
"7700959","7.3048","0.0009","8.8619","0.0011","24.838","0.003","92.591","0.002","97.865","0.002","96.668","0.002","1578.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl4 Cu2 N8 O4 -","- C30 H24 Cl4 Cu2 N8 O4 -","- C60 H48 Cl8 Cu4 N16 O8 -","2","1","","Zheng, Xubin; Fan, Ruiqing; Lu, Haoyang; Wang, Bowen; Wu, Jingkun; Wang, Ping; Yang, Yulin","A dual-emitting Tb(iii)&Yb(iii)-functionalized coordination polymer: a ""turn-on"" sensor for N-methylformamide in urine and a ""turn-off"" sensor for methylglyoxal in serum.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14408","14417","10.1039/c9dt02643f","","","0.71073","MoKα","","0.058","0.0373","","","0.0913","0.1113","","","","","","1.056","","","","has coordinates","224561","2020-10-21","18:00:00",""
"7700960","9.2035","0.0004","8.8019","0.0005","14.94","0.0008","90","","90","","90","","1210.26","0.11","200","2","200","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- Ca4 Li Sn6 -","- Ca4 Li Sn6 -","- Ca16 Li4 Sn24 -","4","0.5","","Ovchinnikov, Alexander; Bobev, Svilen","Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural characterization of four new Ca-Li-Sn compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14398","14407","10.1039/c9dt02803j","","","0.71073","MoKα","","0.0196","0.0169","","","0.0349","0.0357","","","","","","1.12","","","","has coordinates","224564","2020-10-21","18:00:00",""
"7700961","17.21","0.002","4.6081","0.0006","18.881","0.002","90","","107.81","0.002","90","","1425.6","0.3","200","2","200","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ca9 Li6.28 Sn12.72 -","- Ca9 Li6.284 Sn12.716 -","- Ca18 Li12.568 Sn25.432 -","2","0.25","","Ovchinnikov, Alexander; Bobev, Svilen","Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural characterization of four new Ca-Li-Sn compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14398","14407","10.1039/c9dt02803j","","","0.71073","MoKα","","0.0483","0.0351","","","0.0732","0.0776","","","","","","1.015","","","","has coordinates","224564","2020-10-21","18:00:00",""
"7700962","4.6391","0.0009","13.3172","0.0006","7.6517","0.0016","90","","90","","90","","472.72","0.14","200","2","200","2","","","","","","","","3","P m m 2","P 2 -2","25","","","","- Ca2 Li Sn3 -","- Ca2 Li Sn3 -","- Ca6 Li3 Sn9 -","3","0.75","","Ovchinnikov, Alexander; Bobev, Svilen","Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural characterization of four new Ca-Li-Sn compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14398","14407","10.1039/c9dt02803j","","","0.71073","MoKα","","0.0349","0.0305","","","0.0625","0.0646","","","","","","1.094","","","","has coordinates","224564","2020-10-21","18:00:00",""
"7700963","22.547","0.002","4.7638","0.0005","11.487","0.0011","90","","101.603","0.001","90","","1208.6","0.2","200","2","200","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ca8.85 Li2 Sn10 -","- Ca8.843 Li2 Sn10 -","- Ca17.686 Li4 Sn20 -","2","0.25","","Ovchinnikov, Alexander; Bobev, Svilen","Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural characterization of four new Ca-Li-Sn compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14398","14407","10.1039/c9dt02803j","","","0.71073","MoKα","","0.0202","0.0182","","","0.0392","0.0398","","","","","","1.105","","","","has coordinates","224564","2020-10-21","18:00:00",""
"7700964","11.9187","0.0001","12.6618","0.0001","17.4771","0.0002","90","","93.383","0.001","90","","2632.91","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Si2 -","- C34 H28 Si2 -","- C136 H112 Si8 -","4","1","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","x-ray","1.54184","CuKα","","0.0311","0.0297","","","0.0773","0.0784","","","","","","1.042","","","","has coordinates","223851","2020-10-21","18:00:00",""
"7700965","15.6489","0.0003","8.8195","0.0001","19.3548","0.0003","90","","106.959","0.002","90","","2555.1","0.07","110","1","110","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34.1 H26 O0.1 Si2 -","- C34.103 H26 O0.103 Si2 -","- C136.412 H104 O0.412 Si8 -","4","1","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","x-ray","1.54184","CuKα","","0.0354","0.0326","","","0.0892","0.0914","","","","","","1.044","","","","has coordinates,has disorder","223851","2020-10-21","18:00:00",""
"7700966","8.35819","0.00019","8.27537","0.00016","19.9683","0.0004","90","","94.0488","0.0019","90","","1377.7","0.05","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O0.1 Si2 -","- C14 H18 O0.096 Si2 -","- C56 H72 O0.384 Si8 -","4","1","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","x-ray","1.54184","CuKα","","0.0334","0.0296","","","0.0734","0.0756","","","","","","1.055","","","","has coordinates,has disorder","223851","2020-10-21","18:00:00",""
"7700967","20.0464","0.0002","8.7971","0.0001","44.8873","0.0006","90","","95.644","0.001","90","","7877.51","0.16","99.9","0.7","99.9","0.7","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 O Si2 -","- C34 H26 O Si2 -","- C408 H312 O12 Si24 -","12","1.5","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","x-ray","1.54184","CuKα","","0.0306","0.0298","","","0.076","0.0766","","","","","","1.038","","","","has coordinates","223851","2020-10-21","18:00:00",""
"7700968","12.20007","0.00013","12.30177","0.00013","12.38995","0.00013","116.787","0.001","96.6352","0.0009","112.9","0.001","1430.24","0.04","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O Si2 -","- C14 H18 O Si2 -","- C56 H72 O4 Si8 -","4","2","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","x-ray","1.54184","CuKα","","0.0287","0.0265","","","0.0722","0.0735","","","","","","1.076","","","","has coordinates","223851","2020-10-21","18:00:00",""
"7700969","7.9022","0.0001","9.38","0.0001","16.7481","0.0001","105.275","0.001","90.621","0.001","96.144","0.001","1189.69","0.02","373","2","373","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 Si2 -","- C32 H24 Si2 -","- C64 H48 Si4 -","2","1","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","","1.54184","CuKα","","0.0322","0.0299","","","0.0791","0.0807","","","","","","1.062","","","","has coordinates","223851","2020-10-21","18:00:00",""
"7700970","12.854","0.003","16.555","0.003","19.219","0.004","67.48","0.03","76.54","0.03","68.25","0.03","3489.2","1.6","113","","113","","","","","","","","","7","P -1","-P 1","2","","Gd-Cu","","- C49 H35 Cu F30 Gd N6 O14 -","- C49 H35 Cu F30 Gd N6 O14 -","- C98 H70 Cu2 F60 Gd2 N12 O28 -","2","1","","Wang, Kang; Sun, Juan; Xi, Lu; Lu, Jiao; Jing, Pei; Li, Licun","Heterometallic Ln-Cu complexes derived from a phenyl pyrimidyl substituted nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14383","14389","10.1039/c9dt03081f","","","0.71073","MoKα","","0.0745","0.0571","","","0.1482","0.1677","","","","","","1.075","","","","has coordinates","224549","2020-10-21","18:00:00",""
"7700971","12.7276","0.0009","16.6594","0.0011","18.6223","0.0019","65.678","0.009","74.451","0.007","68.87","0.006","3322.8","0.5","113","","113","","","","","","","","","7","P -1","-P 1","2","","Dy-Cu","","- C49 H35 Cu Dy F30 N6 O14 -","- C49 H35 Cu Dy F30 N6 O14 -","- C98 H70 Cu2 Dy2 F60 N12 O28 -","2","1","","Wang, Kang; Sun, Juan; Xi, Lu; Lu, Jiao; Jing, Pei; Li, Licun","Heterometallic Ln-Cu complexes derived from a phenyl pyrimidyl substituted nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14383","14389","10.1039/c9dt03081f","","","0.71073","MoKα","","0.1623","0.1032","","","0.2457","0.3063","","","","","","1.016","","","","has coordinates","224549","2020-10-21","18:00:00",""
"7700972","12.7313","0.0014","16.474","0.002","18.826","0.003","66.608","0.014","74.109","0.012","69.007","0.011","3343.3","0.9","113","","113","","","","","","","","","7","P -1","-P 1","2","","Tb-Cu","","- C49 H35 Cu F30 N6 O14 Tb -","- C49 H35 Cu F30 N6 O14 Tb -","- C98 H70 Cu2 F60 N12 O28 Tb2 -","2","1","","Wang, Kang; Sun, Juan; Xi, Lu; Lu, Jiao; Jing, Pei; Li, Licun","Heterometallic Ln-Cu complexes derived from a phenyl pyrimidyl substituted nitronyl nitroxide biradical.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14383","14389","10.1039/c9dt03081f","","x-ray","0.71073","MoKα","","0.1282","0.0759","","","0.1858","0.2259","","","","","","1.021","","","","has coordinates","224549","2020-10-21","18:00:00",""
"7700973","9.709","0.005","10.178","0.006","12.212","0.006","96.05","0.02","95.99","0.02","104.28","0.02","1152.3","1.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 Si2 Ti -","- C22 H34 Si2 Ti -","- C44 H68 Si4 Ti2 -","2","1","","Bando, Masayoshi; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu","Metal-dependent regioselective homocoupling of stannyl- and alkyl-substituted alkynes on group 4 elements. Formation of unsymmetrical titanacyclopentadienes and symmetrical zircona-cyclopentadienes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13912","13915","10.1039/c9dt02759a","","","0.71075","MoKα","","0.0507","0.043","","","0.1163","0.1254","","","","","","1.078","","","","has coordinates","223850","2020-10-21","18:00:00",""
"7700974","16.6652","0.0002","24.3296","0.0002","19.8424","0.0002","90","","106.238","0.001","90","","7724.32","0.14","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 B2 Cl9 Co4 N12 O16 W2 -","- C55 H47 B2 Cl9 Co4 N12 O16 W2 -","- C220 H188 B8 Cl36 Co16 N48 O64 W8 -","4","1","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.0407","0.0373","","","0.0969","0.0993","","","","","","1.018","","","","has coordinates,has disorder","224483","2020-10-21","18:00:00",""
"7700975","12.8027","0.0007","13.1649","0.0008","14.8124","0.0008","66.855","0.005","80.31","0.005","76.38","0.005","2223","0.2","150","0.1","150","0.1","","","","","","","","11","P -1","-P 1","2","","","","- C80 H78 Au2 B2 Cl4 F6 N12 O10 P2 S2 W2 -","- C80 H78 Au2 B2 Cl4 F6 N12 O10 P2 S2 W2 -","- C80 H78 Au2 B2 Cl4 F6 N12 O10 P2 S2 W2 -","1","0.5","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.0743","0.049","","","0.1204","0.1362","","","","","","1.009","","","","has coordinates,has disorder","224483","2020-10-21","18:00:00",""
"7700976","9.7434","0.0003","14.175","0.0005","20.4858","0.0011","71.555","0.004","81.703","0.004","82.46","0.003","2644.9","0.2","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C78 H114 Au2 B2 Cl4 F12 N12 O4 P4 W2 -","- C78 H114 Au2 B2 Cl4 F12 N12 O4 P4 W2 -","- C78 H114 Au2 B2 Cl4 F12 N12 O4 P4 W2 -","1","0.5","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.0555","0.0426","","","0.1056","0.1145","","","","","","1.034","","","","has coordinates,has disorder","224483","2020-10-21","18:00:00",""
"7700977","31.4601","0.0007","10.9436","0.0001","23.4316","0.0005","90","","134.324","0.004","90","","5771.3","0.4","150","0.1","150","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 Au2 B2 Cl4 N12 O4 W2 -","- C41 H46 Au2 B2 Cl4 N12 O4 W2 -","- C164 H184 Au8 B8 Cl16 N48 O16 W8 -","4","0.5","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.029","0.0278","","","0.0773","0.0786","","","","","","1.126","","","","has coordinates,has disorder","224483","2020-10-21","18:00:00",""
"7700978","10.3621","0.0003","16.081","0.0004","16.1949","0.0005","97.672","0.002","104.883","0.003","98.388","0.002","2538.59","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 B2 N12 O4 Pt W2 -","- C48 H56 B2 N12 O4 Pt W2 -","- C96 H112 B4 N24 O8 Pt2 W4 -","2","1","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.0432","0.0319","","","0.0737","0.078","","","","","","1.001","","","","has coordinates","224483","2020-10-21","18:00:00",""
"7700979","16.8648","0.0003","20.3717","0.0004","19.2485","0.0004","90","","111.533","0.002","90","","6151.6","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 B2 N13 O4 Pt2 W2 -","- C58 H71 B2 N13 O4 Pt2 W2 -","- C232 H284 B8 N52 O16 Pt8 W8 -","4","1","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.0477","0.0373","","","0.0929","0.1023","","","","","","1.05","","","","has coordinates,has disorder","224483","2020-10-21","18:00:00",""
"7700980","12.1393","0.0008","18.7223","0.0012","13.4163","0.0007","90","","92.613","0.005","90","","3046","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 B2 Cl10 N12 W2 -","- C38 H46 B2 Cl10 N12 W2 -","- C76 H92 B4 Cl20 N24 W4 -","2","0.5","","Delaney, Andie R.; Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to a dimetallaoctatetrayne.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13674","13684","10.1039/c9dt03041g","","","1.54184","CuKα","","0.082","0.0535","","","0.1333","0.149","","","","","","1.032","","","","has coordinates","224483","2020-10-21","18:00:00",""
"7700981","5.958574","0.000025","5.958574","","9.65989","0.00007","90","","90","","120","","297.021","0.002","298","","298","","","","","","","","","5","P -3 1 m","-P 3 2","162","","","","- C6 Mn N12 Na2 Sn2 -","- C6 Mn N12 Na2 Sn2 -","- C6 Mn N12 Na2 Sn2 -","1","0.0833333","","Corkett, Alex J.; Dronskowski, Richard","A new tilt and an old twist on the nickel arsenide structure-type: synthesis and characterisation of the quaternary transition-metal cyanamides A<sub>2</sub>MnSn<sub>2</sub>(NCN)<sub>6</sub> (A = Li and Na).","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15029","15035","10.1039/c9dt03062j","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.05966","","1.16","","","","","","","has coordinates","224247","2020-10-21","18:00:00",""
"7700982","12.8109","0.0004","18.5996","0.0006","8.9913","0.0003","90","","90","","90","","2142.43","0.12","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H28 B2 Co F8 N5 O -","- C12 H28 B2 Co F8 N5 O -","- C48 H112 B8 Co4 F32 N20 O4 -","4","1","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","","0.71073","MoKα","","0.0707","0.0487","","","0.126","0.1429","","","","","","1.049","","","","has coordinates,has disorder","223847","2020-10-21","18:00:00",""
"7700983","14.388","0.0003","8.818","0.0001","16.9008","0.0003","90","","90","","90","","2144.26","0.06","292","3","292","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H31 B2 Co F8 N5 -","- C14 H31 B2 Co F8 N5 -","- C56 H124 B8 Co4 F32 N20 -","4","0.5","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","x-ray","0.71073","MoKα","","0.0344","0.0322","","","0.082","0.0833","","","","","","1.047","","","","has coordinates,has disorder","223847","2020-10-21","18:00:00",""
"7700984","13.0277","0.0002","14.5867","0.0002","19.2369","0.0003","90","","90","","90","","3655.61","0.09","129.99","0.12","129.99","0.12","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","x-ray","0.71073","MoKα","","0.0397","0.0348","","","0.0882","0.0911","","","","","","1.071","","","","has coordinates","223847","2020-10-21","18:00:00",""
"7700985","8.91858","0.00015","12.5051","0.0002","18.4063","0.0003","90","","89.9861","0.0014","90","","2052.81","0.06","123","4","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 B2 Co F8 N5 O -","- C12 H28 B2 Co F8 N5 O -","- C48 H112 B8 Co4 F32 N20 O4 -","4","1","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","","0.71073","MoKα","","0.0431","0.037","","","0.0877","0.0911","","","","","","1.042","","","","has coordinates,has disorder","223847","2020-10-21","18:00:00",""
"7700986","7.0743","0.0003","7.0882","0.0003","9.0679","0.0004","82.146","0.003","75.303","0.004","60.689","0.004","383.47","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 Ba N2 O2 -","- C2 Ba N2 O2 -","- C8 Ba4 N8 O8 -","4","2","","Tang, Jian; Liang, Fei; Meng, Xianghe; Kang, Kaijin; Zeng, Tixian; Yin, Wenlong; Xia, Mingjun; Lin, Zheshuai; Kang, Bin","""Two in one"": an unprecedented mixed anion, Ba<sub>2</sub>(C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)(CNO), with the coexistence of isolated sp and sp<sup>2</sup>π-conjugated groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14246","14250","10.1039/c9dt03337h","","","0.71073","MoKα","","0.0227","0.0203","","","0.0493","0.0506","","","","","","1.076","","","","has coordinates","224558","2020-10-21","18:00:00",""
"7700987","13.5738","0.0003","14.9072","0.0003","26.8572","0.0005","81.513","0.001","76.826","0.001","61.585","0.001","4649.11","0.17","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H77 N13 O21 Th4 -","- C99 H77 N13 O21 Th4 -","- C198 H154 N26 O42 Th8 -","2","1","","Tsantis, Sokratis T.; Lagou-Rekka, Aimilia; Konidaris, Konstantis F.; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Perlepes, Spyros P.","Tetranuclear oxido-bridged thorium(iv) clusters obtained using tridentate Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15668","15678","10.1039/c9dt03189h","","","0.71073","MoKα","","0.0403","0.0295","","","0.0544","0.0576","","","","","","1.019","","","","has coordinates","223901","2020-10-21","18:00:00",""
"7700988","16.3097","0.0003","26.3838","0.0005","22.6412","0.0004","90","","94.057","0.001","90","","9718.4","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102.8 H86.2 N11.4 O21 Th4 -","- C102.8 H86.2 N11.4 O21 Th4 -","- C411.2 H344.8 N45.6 O84 Th16 -","4","1","","Tsantis, Sokratis T.; Lagou-Rekka, Aimilia; Konidaris, Konstantis F.; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Perlepes, Spyros P.","Tetranuclear oxido-bridged thorium(iv) clusters obtained using tridentate Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15668","15678","10.1039/c9dt03189h","","","0.71073","MoKα","","0.0397","0.0325","","","0.0705","0.0734","","","","","","1.052","","","","has coordinates","223901","2020-10-21","18:00:00",""
"7700989","6.1247","0.0001","22.0786","0.0002","22.7088","0.0002","117.896","0.001","90.672","0.001","92.124","0.001","2710.63","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C57 H85 I3 O3 -","- C57 H85 I3 O3 -","- C114 H170 I6 O6 -","2","2","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","x-ray","1.54178","CuKα","","0.0457","0.0447","","","0.1205","0.1214","","","","","","1.055","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7700990","14.116","0.003","15.693","0.003","16.506","0.003","69.462","0.004","82.703","0.004","81.56","0.004","3375.7","1.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H90 N6 O4 -","- C62 H90 N6 O4 -","- C124 H180 N12 O8 -","2","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.1036","0.0681","","","0.1524","0.1756","","","","","","1.031","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7700991","16.821","0.005","12.129","0.003","19.288","0.005","90","","111.467","0.005","90","","3662.2","1.7","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 F3 N3 O5 S -","- C35 H49 F3 N3 O5 S -","- C140 H196 F12 N12 O20 S4 -","4","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.1665","0.0941","","","0.2557","0.2904","","","","","","0.94","","","","has coordinates,has disorder","224045","2020-10-21","18:00:00",""
"7700992","26.76","0.005","10.17","0.002","11.17","0.002","90","","114.1","0.03","90","","2774.9","1.1","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H43 N3 O2 -","- C30 H43 N3 O2 -","- C120 H172 N12 O8 -","4","0.5","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.0855","0.0535","","","0.1164","0.1273","","","","","","1.038","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7700993","37.21","0.002","16.6867","0.0008","27.017","0.0016","90","","108.543","0.005","90","","15904.3","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H94 Cl2 N6 O6 Ti2 -","- C66 H94 Cl2 N6 O6 Ti2 -","- C528 H752 Cl16 N48 O48 Ti16 -","8","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.1164","0.078","","","0.216","0.2479","","","","","","1.045","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7700994","11.0086","0.0016","15.84","0.002","15.982","0.002","103.559","0.003","93.8","0.003","108.092","0.003","2545.9","0.6","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H67 Cl N5 Nb O3 -","- C44 H67 Cl N5 Nb O3 -","- C88 H134 Cl2 N10 Nb2 O6 -","2","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.0623","0.047","","","0.1091","0.1184","","","","","","1.027","","","","has coordinates,has disorder","224045","2020-10-21","18:00:00",""
"7700995","9.374","0.003","16.81","0.005","25.014","0.008","90","","90.8","0.006","90","","3941","2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 N5 O2 Ti -","- C40 H57 N5 O2 Ti -","- C160 H228 N20 O8 Ti4 -","4","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.1504","0.0899","","","0.2126","0.2468","","","","","","1.069","","","","has coordinates,has disorder","224045","2020-10-21","18:00:00",""
"7700996","39.691","0.011","39.691","0.011","14.511","0.004","90","","90","","120","","19798","9","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H61 Mo N5 O2 -","- C39 H61 Mo N5 O2 -","- C702 H1098 Mo18 N90 O36 -","18","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.1167","0.0664","","","0.1547","0.1764","","","","","","1.017","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7700997","13.1465","0.0012","20.8579","0.0019","22.4","0.002","90","","92.772","0.001","90","","6135.1","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H64 Ge Mo2 N4 O47 W10 -","- C16 H48 Ge Mo1.966 N4 O43 W10.034 -","- C64 H192 Ge4 Mo7.864 N16 O172 W40.136 -","4","1","","Wang, Yuchao; Li, Fengyan; Jiang, Ning; Liu, Xizheng; Xu, Lin","A ""directed precursor self-assembly"" strategy for the facile synthesis of heteropoly blues: crystal structures, formation mechanism and electron distribution.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14347","14353","10.1039/c9dt02789k","","","0.71073","MoKα","","0.078","0.0476","","","0.1112","0.1251","","","","","","0.995","","","","has coordinates","224556","2020-10-21","18:00:00",""
"7700998","14.946","","13.887","","21.17","","90","","92.02","","90","","4391.21","","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C21 H76 Mo2 N14 O82 P2 W16 -","- C21 Mo2.329 N14 O68.3 P2 W15.671 -","- C42 Mo4.658 N28 O136.6 P4 W31.342 -","2","1","","Wang, Yuchao; Li, Fengyan; Jiang, Ning; Liu, Xizheng; Xu, Lin","A ""directed precursor self-assembly"" strategy for the facile synthesis of heteropoly blues: crystal structures, formation mechanism and electron distribution.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14347","14353","10.1039/c9dt02789k","","","0.71073","MoKα","","0.056","0.0505","","","0.1323","0.1361","","","","","","1.031","","","","has coordinates,has disorder","224556","2020-10-21","18:00:00",""
"7700999","41.9535","0.0013","12.6307","0.0002","22.2985","0.0005","90","","90","","90","","11816","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H114 Ge2 Mo24 N6 O98 -","- C24 Ge2 Mo24 N6 O90.6 -","- C96 Ge8 Mo96 N24 O362.4 -","4","1","","Wang, Yuchao; Li, Fengyan; Jiang, Ning; Liu, Xizheng; Xu, Lin","A ""directed precursor self-assembly"" strategy for the facile synthesis of heteropoly blues: crystal structures, formation mechanism and electron distribution.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14347","14353","10.1039/c9dt02789k","","","0.71073","MoKα","","0.0735","0.059","","","0.1407","0.1498","","","","","","1.07","","","","has coordinates,has disorder","224556","2020-10-21","18:00:00",""
"7701000","66.961","","18.432","","23.971","","90","","110.62","","90","","27690.3","","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H254 Mo18 N14 Na2 O222 P6 W36 -","- C56 H138 Mo17.82 N14 Na2 O203.8 P6 W36.18 -","- C224 H552 Mo71.28 N56 Na8 O815.2 P24 W144.72 -","4","0.5","","Wang, Yuchao; Li, Fengyan; Jiang, Ning; Liu, Xizheng; Xu, Lin","A ""directed precursor self-assembly"" strategy for the facile synthesis of heteropoly blues: crystal structures, formation mechanism and electron distribution.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14347","14353","10.1039/c9dt02789k","","","0.71073","MoKα","","0.092","0.0642","","","0.157","0.1727","","","","","","1.049","","","","has coordinates","224556","2020-10-21","18:00:00",""
"7701001","7.8778","0.0006","8.8726","0.0008","13.2483","0.001","75.787","0.007","72.823","0.007","74.302","0.008","837.79","0.13","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Cl3 N2 O Pt -","- C17 H13 Cl3 N2 O Pt -","- C34 H26 Cl6 N4 O2 Pt2 -","2","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0535","0.0388","","","0.0645","0.0693","","","","","","0.99","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701002","14.4735","0.0009","14.4419","0.0009","8.3539","0.0005","90","","96.17","0.002","90","","1736.06","0.18","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N4 O2 Pt -","- C16 H19 Cl N4 O2 Pt -","- C64 H76 Cl4 N16 O8 Pt4 -","4","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0533","0.0334","","","0.0658","0.072","","","","","","1.026","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701003","16.5452","0.0007","18.5441","0.0007","9.7467","0.0004","90","","91.0751","0.0014","90","","2989.9","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F6 N2 O3 Pt S2 -","- C30 H26 F6 N2 O3 Pt S2 -","- C120 H104 F24 N8 O12 Pt4 S8 -","4","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0389","0.0243","","","0.0399","0.0429","","","","","","1.039","","","","has coordinates,has disorder","224250","2020-10-21","18:00:00",""
"7701004","7.0662","0.0002","23.0266","0.0005","11.1435","0.0003","90","","106.773","0.002","90","","1736.03","0.08","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N4 O4 Pt S -","- C14 H15 Cl N4 O4 Pt S -","- C56 H60 Cl4 N16 O16 Pt4 S4 -","4","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0539","0.0408","","","0.0718","0.0749","","","","","","1.204","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701005","11.1945","0.0005","9.595","0.0004","12.2845","0.0005","90","","105.672","0.0014","90","","1270.44","0.09","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N3 O Pt -","- C13 H12 Cl N3 O Pt -","- C52 H48 Cl4 N12 O4 Pt4 -","4","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0142","0.0114","","","0.0232","0.024","","","","","","1.082","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701006","8.5021","0.0007","8.6034","0.0007","10.4411","0.0008","66.85","0.002","88.962","0.003","86.218","0.003","700.68","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl N3 O3 Pt -","- C13 H14 Cl N3 O3 Pt -","- C26 H28 Cl2 N6 O6 Pt2 -","2","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0222","0.0187","","","0.0401","0.041","","","","","","1.059","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701007","8.3913","0.0005","8.2576","0.0005","19.9601","0.0011","90","","92.4713","0.0019","90","","1381.79","0.14","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N3 O2 Pt -","- C14 H14 Cl N3 O2 Pt -","- C56 H56 Cl4 N12 O8 Pt4 -","4","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0465","0.0268","","","0.0427","0.0461","","","","","","1.041","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701008","8.5082","0.0007","8.8816","0.0007","13.212","0.0011","108.748","0.002","100.964","0.003","97.584","0.003","907.91","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl3 N4 O2 Pt -","- C16 H17 Cl3 N4 O2 Pt -","- C32 H34 Cl6 N8 O4 Pt2 -","2","1","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.0296","0.023","","","0.0457","0.0474","","","","","","1.044","","","","has coordinates","224250","2020-10-21","18:00:00",""
"7701009","11.5812","0.0005","6.8946","0.0003","23.2291","0.0009","90","","90","","90","","1854.79","0.13","120","","120","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C16 H17 Cl F3 N3 O2 Pt S -","- C16 H17 Cl F3 N3 O2 Pt S -","- C64 H68 Cl4 F12 N12 O8 Pt4 S4 -","4","0.5","","Puttock, Emma V.; Fradgley, Jack D.; Yufit, Dmitry S.; Williams, J. A. Gareth","A family of readily synthesised phosphorescent platinum(ii) complexes based on tridentate N^N^O-coordinating Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15012","15028","10.1039/c9dt03156a","","x-ray","0.71073","MoKα","","0.026","0.0212","","","0.037","0.0384","","","","","","1.188","","","","has coordinates,has disorder","224250","2020-10-21","18:00:00",""
"7701010","13.7272","0.0004","27.1133","0.001","14.7309","0.0005","90","","101.409","0.002","90","","5374.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 Br5 N5 O4 -","- C58 H40 Br5 N5 O4 -","- C232 H160 Br20 N20 O16 -","4","1","","Rathi, Pinki; Butcher, Ray; Sankar, Muniappan","Unsymmetrical nonplanar 'push-pull' β-octasubstituted porphyrins: facile synthesis, structural, photophysical and electrochemical redox properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15002","15011","10.1039/c9dt02792k","","","0.71073","MoKα","","0.1082","0.0571","","","0.1408","0.1638","","","","","","1.027","","","","has coordinates,has disorder","224256","2020-10-21","18:00:00",""
"7701011","11.8146","0.0005","12.7494","0.0006","12.7733","0.0006","74.285","0.002","63.823","0.002","83.926","0.002","1661.94","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Au N P S -","- C42 H35 Au N P S -","- C84 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Stewart, David J.; Grusenmeyer, Tod A.; Phillips, Alexis T.; Haley, Joy E.; Zeller, Matthias; Gray, Thomas G.","Photophysical properties of organogold(i) complexes bearing a benzothiazole-2,7-fluorenyl moiety: selection of ancillary ligand influences white light emission.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15917","15927","10.1039/c9dt02312g","","","0.71073","MoKα","","0.0402","0.0262","","","0.0462","0.0496","","","","","","1.019","","","","has coordinates","224017","2020-10-21","18:00:00",""
"7701012","12.571","0.0008","12.7256","0.0008","13.7715","0.0009","104.775","0.002","104.891","0.002","111.277","0.002","1829.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Au N P S -","- C42 H53 Au N P S -","- C84 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Stewart, David J.; Grusenmeyer, Tod A.; Phillips, Alexis T.; Haley, Joy E.; Zeller, Matthias; Gray, Thomas G.","Photophysical properties of organogold(i) complexes bearing a benzothiazole-2,7-fluorenyl moiety: selection of ancillary ligand influences white light emission.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15917","15927","10.1039/c9dt02312g","","","0.71073","MoKα","","0.0268","0.0215","","","0.0446","0.0463","","","","","","1.136","","","","has coordinates","224017","2020-10-21","18:00:00",""
"7701013","14.8591","0.0008","15.918","0.0008","24.8004","0.0014","91.478","0.002","98.399","0.002","114.388","0.002","5261.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.61 H67.34 Au N3 S -","- C59.61 H67.34 Au N3 S -","- C238.44 H269.36 Au4 N12 S4 -","4","2","","Mihaly, Joseph J.; Stewart, David J.; Grusenmeyer, Tod A.; Phillips, Alexis T.; Haley, Joy E.; Zeller, Matthias; Gray, Thomas G.","Photophysical properties of organogold(i) complexes bearing a benzothiazole-2,7-fluorenyl moiety: selection of ancillary ligand influences white light emission.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15917","15927","10.1039/c9dt02312g","","","0.71073","MoKα","","0.054","0.0346","","","0.0871","0.0948","","","","","","1.042","","","","has coordinates,has disorder","224017","2020-10-21","18:00:00",""
"7701014","11.882","0.002","12.192","0.002","14.297","0.003","83.12","0.03","77.39","0.03","75.38","0.03","1951.1","0.7","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H34 B2 Cl2 F6 N6 O8 S2 -","- C31 H34 B2 Cl2 F6 N6 O8 S2 -","- C62 H68 B4 Cl4 F12 N12 O16 S4 -","2","1","","Vogler, Daniel; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Electron transfer in complexes of B<sup>II</sup> cations with organic π-acceptors: a combined experimental and quantum-chemical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14354","14366","10.1039/c9dt03151k","","","0.71073","MoKα","","0.0807","0.0575","","","0.173","0.1906","","","","","","1.053","","","","has coordinates","224557","2020-10-21","18:00:00",""
"7701015","15.239","0.003","11.928","0.002","16.177","0.003","90","","105.52","0.03","90","","2833.3","1","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 B Cl10 N3 O4 -","- C20 H16 B Cl10 N3 O4 -","- C80 H64 B4 Cl40 N12 O16 -","4","1","","Vogler, Daniel; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Electron transfer in complexes of B<sup>II</sup> cations with organic π-acceptors: a combined experimental and quantum-chemical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14354","14366","10.1039/c9dt03151k","","","0.71073","MoKα","","0.057","0.0359","","","0.0916","0.1017","","","","","","1.024","","","","has coordinates","224557","2020-10-21","18:00:00",""
"7701016","22.713","0.005","9.776","0.002","23.112","0.005","90","","119.37","0.03","90","","4472","2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F3 N3 O4 S -","- C22 H24 F3 N3 O4 S -","- C176 H192 F24 N24 O32 S8 -","8","2","","Vogler, Daniel; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Electron transfer in complexes of B<sup>II</sup> cations with organic π-acceptors: a combined experimental and quantum-chemical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14354","14366","10.1039/c9dt03151k","","","0.71073","MoKα","","0.0935","0.0544","","","0.1341","0.1528","","","","","","1.04","","","","has coordinates","224557","2020-10-21","18:00:00",""
"7701017","12.366","0.004","13.352","0.005","13.473","0.005","101.351","0.016","108.564","0.015","117.557","0.013","1705.7","1.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H32 B2 Cl2 F6 N6 O8 S2 -","- C27 H32 B2 Cl2 F6 N6 O8 S2 -","- C54 H64 B4 Cl4 F12 N12 O16 S4 -","2","1","","Vogler, Daniel; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Electron transfer in complexes of B<sup>II</sup> cations with organic π-acceptors: a combined experimental and quantum-chemical study.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14354","14366","10.1039/c9dt03151k","","x-ray","0.71073","MoKα","","0.0471","0.0408","","","0.1141","0.118","","","","","","1.0354","","","","has coordinates,has disorder","224557","2020-10-21","18:00:00",""
"7701018","10.5109","0.0002","15.1977","0.0002","20.4077","0.0003","90","","90","","90","","3259.96","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Gd N5 O8 -","- C30 H48 Gd N5 O8 -","- C120 H192 Gd4 N20 O32 -","4","1","","Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.","Comparison of two field-induced Er<sup>III</sup> single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15679","15686","10.1039/c9dt02434d","","","0.71073","MoKα","","0.0335","0.0266","","","0.044","0.0466","","","","","","1.052","","","","has coordinates","223882","2020-10-21","18:00:00",""
"7701019","12.9038","0.0002","16.526","0.0002","14.936","0.0002","90","","106.172","0.002","90","","3059.04","0.08","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Er F3 N5 O6 -","- C28 H37 Er F3 N5 O6 -","- C112 H148 Er4 F12 N20 O24 -","4","1","","Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.","Comparison of two field-induced Er<sup>III</sup> single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15679","15686","10.1039/c9dt02434d","","","0.71073","MoKα","","0.0337","0.0263","","","0.0541","0.0574","","","","","","1.073","","","","has coordinates,has disorder","223882","2020-10-21","18:00:00",""
"7701020","10.6073","0.0003","15.3338","0.0004","20.435","0.0005","90","","90","","90","","3323.76","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Er N5 O8 -","- C30 H48 Er N5 O8 -","- C120 H192 Er4 N20 O32 -","4","1","","Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.","Comparison of two field-induced Er<sup>III</sup> single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15679","15686","10.1039/c9dt02434d","","","0.71073","MoKα","","0.0438","0.0379","","","0.0851","0.0909","","","","","","1.042","","","","has coordinates","223882","2020-10-21","18:00:00",""
"7701021","12.7436","0.0002","16.4518","0.0003","14.9252","0.0002","90","","105.429","0.002","90","","3016.37","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 F3 Gd N5 O6 -","- C28 H37 F3 Gd N5 O6 -","- C112 H148 F12 Gd4 N20 O24 -","4","1","","Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.","Comparison of two field-induced Er<sup>III</sup> single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15679","15686","10.1039/c9dt02434d","","","1.54184","CuKα","","0.0404","0.0359","","","0.0892","0.0925","","","","","","1.06","","","","has coordinates,has disorder","223882","2020-10-21","18:00:00",""
"7701022","18.669","0.005","19.702","0.005","21.195","0.005","90","0.005","90","0.005","90","0.005","7796","3","293","2","293","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","cb2mt-clo4","","","- C41 H40 Cl N3 O4 P2 Ru S2 -","- C41 H40 Cl N3 O4 P2 Ru S2 -","- C328 H320 Cl8 N24 O32 P16 Ru8 S16 -","8","1","","da Silva, Monize M.; de Camargo, Mariana S.; Correa, Rodrigo S.; Castelli, Silvia; De Grandis, Rone A.; Takarada, Jessica E.; Varanda, Eliana A.; Castellano, Eduardo E.; Deflon, Victor M.; Cominetti, Marcia R.; Desideri, Alessandro; Batista, Alzir A.","Non-mutagenic Ru(ii) complexes: cytotoxicity, topoisomerase IB inhibition, DNA and HSA binding.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14885","14897","10.1039/c9dt01905g","","x-ray","0.71073","MoKα","","0.0767","0.0453","","","0.106","0.1173","","","","","","1.025","","","","has coordinates,has disorder","224055","2020-10-21","18:00:00",""
"7701023","18.3678","0.0008","20.3902","0.0005","22.2064","0.0009","90","","90","","90","","8316.8","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound X","","","- C42 H41 F6 N6 P3 Ru S -","- C42 H41 F6 N6 P3 Ru S -","- C336 H328 F48 N48 P24 Ru8 S8 -","8","1","","da Silva, Monize M.; de Camargo, Mariana S.; Correa, Rodrigo S.; Castelli, Silvia; De Grandis, Rone A.; Takarada, Jessica E.; Varanda, Eliana A.; Castellano, Eduardo E.; Deflon, Victor M.; Cominetti, Marcia R.; Desideri, Alessandro; Batista, Alzir A.","Non-mutagenic Ru(ii) complexes: cytotoxicity, topoisomerase IB inhibition, DNA and HSA binding.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14885","14897","10.1039/c9dt01905g","","x-ray","0.71073","MoKα","","0.0997","0.0542","","","0.1222","0.1436","","","","","","1.015","","","","has coordinates","224055","2020-10-21","18:00:00",""
"7701024","10.0164","0.0004","31.8519","0.0014","14.9197","0.0007","90","","100.055","0.002","90","","4686.9","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 F6 N4 O3 P3 Ru S -","- C46 H45 F6 N4 O3 P3 Ru S -","- C184 H180 F24 N16 O12 P12 Ru4 S4 -","4","1","","da Silva, Monize M.; de Camargo, Mariana S.; Correa, Rodrigo S.; Castelli, Silvia; De Grandis, Rone A.; Takarada, Jessica E.; Varanda, Eliana A.; Castellano, Eduardo E.; Deflon, Victor M.; Cominetti, Marcia R.; Desideri, Alessandro; Batista, Alzir A.","Non-mutagenic Ru(ii) complexes: cytotoxicity, topoisomerase IB inhibition, DNA and HSA binding.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14885","14897","10.1039/c9dt01905g","","","0.71073","MoKα","","0.12","0.0604","","","0.1657","0.187","","","","","","0.931","","","","has coordinates,has disorder","224055","2020-10-21","18:00:00",""
"7701025","12.713","0.003","14.096","0.003","13.603","0.003","90","","102.34","0.03","90","","2381.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Mn N2 O4 P -","- C22 H36 Mn N2 O4 P -","- C88 H144 Mn4 N8 O16 P4 -","4","1","","Kumar, Amit; Daw, Prosenjit; Espinosa-Jalapa, Noel Angel; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO<sub>2</sub> activation by manganese pincer complexes through different modes of metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14580","14584","10.1039/c9dt03088c","","","0.71073","MoKα","","0.0415","0.0294","","","0.0681","0.0725","","","","","","1.025","","","","has coordinates","224049","2020-10-21","18:00:00",""
"7701026","18.0388","0.0014","10.3918","0.0009","14.368","0.0012","90","","105.838","0.002","90","","2591.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H76 Mn2 N4 O8 P2 -","- C51 H76 Mn2 N4 O8 P2 -","- C102 H152 Mn4 N8 O16 P4 -","2","0.5","","Kumar, Amit; Daw, Prosenjit; Espinosa-Jalapa, Noel Angel; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO<sub>2</sub> activation by manganese pincer complexes through different modes of metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14580","14584","10.1039/c9dt03088c","","","0.71073","MoKα","","0.054","0.0355","","","0.0718","0.0797","","","","","","1.03","","","","has coordinates,has disorder","224049","2020-10-21","18:00:00",""
"7701027","12.5824","0.0008","14.2411","0.0007","13.1504","0.0008","90","","107.519","0.007","90","","2247.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Mn N2 O2 P -","- C21 H36 Mn N2 O2 P -","- C84 H144 Mn4 N8 O8 P4 -","4","1","","Kumar, Amit; Daw, Prosenjit; Espinosa-Jalapa, Noel Angel; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO<sub>2</sub> activation by manganese pincer complexes through different modes of metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14580","14584","10.1039/c9dt03088c","","","0.71073","MoKα","","0.064","0.0439","","","0.1103","0.1212","","","","","","1.04","","","","has coordinates,has disorder","224049","2020-10-21","18:00:00",""
"7701028","11.0332","0.0004","11.6911","0.0004","17.3894","0.0007","90","","96.46","0.004","90","","2228.82","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Mn N2 O4 P -","- C22 H34 Mn N2 O4 P -","- C88 H136 Mn4 N8 O16 P4 -","4","1","","Kumar, Amit; Daw, Prosenjit; Espinosa-Jalapa, Noel Angel; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO<sub>2</sub> activation by manganese pincer complexes through different modes of metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14580","14584","10.1039/c9dt03088c","","","1.54184","CuKα","","0.0307","0.0268","","","0.0655","0.067","","","","","","1.064","","","","has coordinates","224049","2020-10-21","18:00:00",""
"7701029","10.4849","0.0008","11.5765","0.0009","12.4188","0.0009","68.798","0.002","78.844","0.002","76.585","0.003","1356.98","0.18","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C54 H64 Cl2 Ir2 P2 Si4 -","- C54 H64 Cl2 Ir2 P2 Si4 -","- C54 H64 Cl2 Ir2 P2 Si4 -","1","0.5","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","","0.71073","MoKα","","0.026","0.0201","","","0.0415","0.0441","","","","","","1.081","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701030","10.171","0.003","15.591","0.005","28.733","0.009","90","","92.251","0.008","90","","4553","2","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H67 Cl Ir O7 P3 Si2 -","- C40 H67 Cl Ir O7 P3 Si2 -","- C160 H268 Cl4 Ir4 O28 P12 Si8 -","4","1","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","x-ray","0.71073","MoKα","","0.035","0.0267","","","0.0568","0.0594","","","","","","1.083","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701031","12.2965","0.0006","12.8675","0.0006","18.4988","0.0009","84.086","0.001","87.716","0.001","74.647","0.001","2807.3","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C60 H71 Cl Ir2 P2 Si4 -","- C60 H71 Cl Ir2 P2 Si4 -","- C120 H142 Cl2 Ir4 P4 Si8 -","2","1","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","x-ray","0.71073","MoKα","","0.0182","0.0158","","","0.0377","0.0387","","","","","","1.027","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701032","10.2493","0.0014","22.784","0.003","19.998","0.003","90","","102.638","0.003","90","","4556.8","1.1","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cl Ir O2 P2 Si2 -","- C50 H60 Cl Ir O2 P2 Si2 -","- C200 H240 Cl4 Ir4 O8 P8 Si8 -","4","1","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","","0.71073","MoKα","","0.0223","0.0208","","","0.0454","0.0458","","","","","","1.175","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701033","46.882","0.014","10.431","0.003","22.858","0.007","90","","117.182","0.006","90","","9944","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 Cl5 Ir P2 Si2 -","- C44 H66 Cl5 Ir P2 Si2 -","- C352 H528 Cl40 Ir8 P16 Si16 -","8","1","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","","0.71073","MoKα","","0.0589","0.0492","","0.0527","0.0472","0.0463","","","","","","1.0156","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701034","9.7364","0.0012","9.9162","0.0014","14.706","0.002","82.877","0.005","72.789","0.004","77.865","0.004","1323","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Cl Ir O2 P Si2 -","- C26 H29 Cl Ir O2 P Si2 -","- C52 H58 Cl2 Ir2 O4 P2 Si4 -","2","1","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","","0.71073","MoKα","","0.0306","0.0259","","0.0298","0.028","0.0277","","","","","","1.085","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701035","14.0609","0.0006","9.467","0.0004","27.1645","0.0011","90","","104.79","0.001","90","","3496.2","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl Ir N4 P Si2 -","- C32 H41 Cl Ir N4 P Si2 -","- C128 H164 Cl4 Ir4 N16 P4 Si8 -","4","1","","Cuevas-Chávez, Cynthia A; Vendier, Laure; Sabo-Etienne, Sylviane; Montiel-Palma, Virginia","Iridium complexes featuring a tridentate SiPSi ligand: from dimeric to monomeric 14, 16 or 18-electron species.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14010","14018","10.1039/c9dt03136g","","","0.71073","MoKα","","0.0325","0.024","","0.0309","0.0244","0.0236","","","","","","1.0969","","","","has coordinates","223845","2020-10-21","18:00:00",""
"7701036","10.517","0.002","11.328","0.002","15.112","0.003","88.4","0.03","84.21","0.03","77.1","0.03","1746","0.6","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 B F2 N2 O3 -","- C44 H35 B F2 N2 O3 -","- C88 H70 B2 F4 N4 O6 -","2","1","","Liu, Meifang; Han, Yi; Yuan, Wei; Guo, Changxiang; Shi, Shiling; Liu, Xia; Chen, Yulan","Fluorescent BF<sub>2</sub> complexes of pyridyl-isoindoline-1-ones: synthesis, characterization and their distinct response to mechanical force.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14626","14631","10.1039/c9dt02852h","","","0.71073","MoKα","","0.1013","0.0561","","","0.1219","0.1477","","","","","","0.931","","","","has coordinates","224037","2020-10-21","18:00:00",""
"7701037","9.2461","0.0015","9.4479","0.0016","11.1313","0.0018","95.59","0.004","113.485","0.002","104.311","0.003","842.9","0.2","100","2","100.29","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 Cu2 F12 N4 -","- C12 H4 Cu2 F12 N4 -","- C24 H8 Cu4 F24 N8 -","2","1","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0412","0.0319","","","0.0746","0.0787","","","","","","1.043","","","","has coordinates,has disorder","224033","2020-10-21","18:00:00",""
"7701038","10.4189","0.0005","10.4808","0.0005","12.286","0.0006","92.068","0.002","110.195","0.002","115.74","0.002","1106.4","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cu2 F12 N4 -","- C18 H12 Cu2 F12 N4 -","- C36 H24 Cu4 F24 N8 -","2","1","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0536","0.0362","","","0.0874","0.0963","","","","","","1.02","","","","has coordinates","224033","2020-10-21","18:00:00",""
"7701039","17.0895","0.0006","15.2842","0.0005","10.1011","0.0003","90","","90","","90","","2638.4","0.15","100","2","100.01","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H12 Br2 Cu2 F12 N4 -","- C21 H12 Br2 Cu2 F12 N4 -","- C84 H48 Br8 Cu8 F48 N16 -","4","0.5","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0239","0.0218","","","0.0501","0.0511","","","","","","1.073","","","","has coordinates,has disorder","224033","2020-10-21","18:00:00",""
"7701040","11.085","0.0004","14.3949","0.0005","14.0223","0.0004","90","","90.746","0.001","90","","2237.31","0.13","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cu2 F12 N4 -","- C19 H14 Cu2 F12 N4 -","- C76 H56 Cu8 F48 N16 -","4","1","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0352","0.0279","","","0.0704","0.074","","","","","","1.06","","","","has coordinates","224033","2020-10-21","18:00:00",""
"7701041","12.9771","0.0015","13.636","0.0015","17.588","0.003","71.399","0.003","71.758","0.002","79.715","0.002","2790.7","0.7","175","2","175","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 Cu2 F12 N4 -","- C26 H14 Cu2 F12 N4 -","- C104 H56 Cu8 F48 N16 -","4","2","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0601","0.0465","","","0.1289","0.1401","","","","","","1.045","","","","has coordinates,has disorder","224033","2020-10-21","18:00:00",""
"7701042","8.4602","0.0003","9.266","0.0004","17.3777","0.0007","97.758","0.001","90.353","0.001","107.117","0.001","1288.5","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu2 F12 N4 -","- C22 H20 Cu2 F12 N4 -","- C44 H40 Cu4 F24 N8 -","2","1","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0337","0.0274","","","0.0655","0.0685","","","","","","1.041","","","","has coordinates","224033","2020-10-21","18:00:00",""
"7701043","14.7253","0.001","18.0284","0.0011","14.9893","0.001","90","","91.787","0.002","90","","3977.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 Dy4 N18 O26 -","- C66 H70 Dy4 N18 O26 -","- C132 H140 Dy8 N36 O52 -","2","0.5","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Rawson, Jeremy M.; Gavey, Emma L.; Regier, Jeffery; Alexandropoulos, Dimitrios; Pilkington, Melanie; Thompson, Laurence K.","Slow magnetic relaxation in Dy<sub>2</sub> and Dy<sub>4</sub> complexes of a versatile, trifunctional polydentate N,O-ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14269","14278","10.1039/c9dt02331c","","","1.54178","CuKα","","0.0674","0.0503","","","0.1205","0.1329","","","","","","1.02","","","","has coordinates","224550","2020-10-21","18:00:00",""
"7701044","11.3795","0.0006","12.14","0.0006","14.4181","0.0007","85.283","0.002","75.253","0.002","74.747","0.002","1858.1","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 Gd4 N18 O26 -","- C68 H74 Gd4 N18 O26 -","- C68 H74 Gd4 N18 O26 -","1","0.5","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Rawson, Jeremy M.; Gavey, Emma L.; Regier, Jeffery; Alexandropoulos, Dimitrios; Pilkington, Melanie; Thompson, Laurence K.","Slow magnetic relaxation in Dy<sub>2</sub> and Dy<sub>4</sub> complexes of a versatile, trifunctional polydentate N,O-ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14269","14278","10.1039/c9dt02331c","","","0.71073","MoKα","","0.0676","0.0427","","","0.09","0.1124","","","","","","1.11","","","","has coordinates","224550","2020-10-21","18:00:00",""
"7701045","10.3755","0.0008","14.3138","0.0011","23.9924","0.0017","92.068","0.003","95.604","0.003","103.792","0.003","3437.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H80 Dy2 N14 O27 -","- C55 H80 Dy2 N14 O27 -","- C110 H160 Dy4 N28 O54 -","2","1","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Rawson, Jeremy M.; Gavey, Emma L.; Regier, Jeffery; Alexandropoulos, Dimitrios; Pilkington, Melanie; Thompson, Laurence K.","Slow magnetic relaxation in Dy<sub>2</sub> and Dy<sub>4</sub> complexes of a versatile, trifunctional polydentate N,O-ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14269","14278","10.1039/c9dt02331c","","","0.71073","MoKα","","0.0296","0.0242","","","0.0545","0.0576","","","","","","1.109","","","","has coordinates","224550","2020-10-21","18:00:00",""
"7701046","4.84411","0.00012","8.41328","0.00019","12.0451","0.0003","90","","90","","90","","490.9","0.02","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba Ge O S2 -","- Ba Ge O S2 -","- Ba4 Ge4 O4 S8 -","4","1","","Zhang, Xian; Xiao, Yi; Wang, Ruiqi; Fu, Pengxiang; Zheng, Chong; Huang, Fuqiang","Synthesis, crystal structures and optical properties of noncentrosymmetric oxysulfides AeGeS<sub>2</sub>O (Ae = Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14662","14668","10.1039/c9dt02780g","","","0.71073","MoKα","","0.012","0.012","","","0.0264","0.0264","","","","","","1.175","","","","has coordinates","224054","2020-10-21","18:00:00",""
"7701047","4.6627","0.0004","8.0622","0.0007","12.0975","0.0013","90","","90","","90","","454.76","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ge O S2 Sr -","- Ge O S2 Sr -","- Ge4 O4 S8 Sr4 -","4","1","","Zhang, Xian; Xiao, Yi; Wang, Ruiqi; Fu, Pengxiang; Zheng, Chong; Huang, Fuqiang","Synthesis, crystal structures and optical properties of noncentrosymmetric oxysulfides AeGeS<sub>2</sub>O (Ae = Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14662","14668","10.1039/c9dt02780g","","","0.71073","MoKα","","0.0345","0.0287","","","0.0556","0.0581","","","","","","0.995","","","","has coordinates","224054","2020-10-21","18:00:00",""
"7701048","11.4241","0.0003","6.2939","0.0002","23.5348","0.0007","90","","94.12","0.002","90","","1687.83","0.09","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 F6 N4 O5 P -","- C10 H19 F6 N4 O5 P -","- C40 H76 F24 N16 O20 P4 -","4","1","","Dominelli, Bruno; Roberts, Gerri M.; Jandl, Christian; Fischer, Pauline J.; Reich, Robert M.; Pöthig, Alexander; Correia, João D G; Kühn, Fritz E","Dinuclear zwitterionic silver(i) and gold(i) complexes bearing 2,2-acetate-bridged bisimidazolylidene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14036","14043","10.1039/c9dt03035b","","x-ray","0.71073","MoKα","","0.047","0.033","","","0.0682","0.0737","","","","","","1.039","","","","has coordinates","223843","2020-10-21","18:00:00",""
"7701049","8.2043","0.0006","11.6334","0.0007","12.2004","0.0008","100.631","0.003","90.414","0.003","91.17","0.003","1144.16","0.13","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C32 H50 Ag2 N8 O6 -","- C32 H50 Ag2 N8 O6 -","- C32 H50 Ag2 N8 O6 -","1","0.5","","Dominelli, Bruno; Roberts, Gerri M.; Jandl, Christian; Fischer, Pauline J.; Reich, Robert M.; Pöthig, Alexander; Correia, João D G; Kühn, Fritz E","Dinuclear zwitterionic silver(i) and gold(i) complexes bearing 2,2-acetate-bridged bisimidazolylidene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14036","14043","10.1039/c9dt03035b","","x-ray","0.71073","MoKα","","0.0293","0.0247","","","0.0559","0.0573","","","","","","1.042","","","","has coordinates,has disorder","223843","2020-10-21","18:00:00",""
"7701050","15.6805","0.0011","21.4574","0.0013","12.2321","0.0008","90","","126.911","0.003","90","","3290.7","0.4","123","2","123","","","","","","","","see text","5","C 1 2/m 1","-C 2y","12","","","","- C23 H28 Au2 N8 O11 -","- C23 H28 Au2 N8 O11 -","- C92 H112 Au8 N32 O44 -","4","0.5","","Dominelli, Bruno; Roberts, Gerri M.; Jandl, Christian; Fischer, Pauline J.; Reich, Robert M.; Pöthig, Alexander; Correia, João D G; Kühn, Fritz E","Dinuclear zwitterionic silver(i) and gold(i) complexes bearing 2,2-acetate-bridged bisimidazolylidene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14036","14043","10.1039/c9dt03035b","","x-ray","0.71073","MoKα","","0.0463","0.0294","","","0.0572","0.059","","","","","","0.832","","","","has coordinates,has disorder","223843","2020-10-21","18:00:00",""
"7701051","11.3434","0.0005","12.6516","0.0005","12.7157","0.0006","107.761","0.002","99.703","0.002","113.659","0.002","1500.65","0.12","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H44 Ag4 N16 O8 -","- C40 H44 Ag4 N16 O8 -","- C40 H44 Ag4 N16 O8 -","1","0.5","","Dominelli, Bruno; Roberts, Gerri M.; Jandl, Christian; Fischer, Pauline J.; Reich, Robert M.; Pöthig, Alexander; Correia, João D G; Kühn, Fritz E","Dinuclear zwitterionic silver(i) and gold(i) complexes bearing 2,2-acetate-bridged bisimidazolylidene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14036","14043","10.1039/c9dt03035b","","x-ray","0.71073","MoKα","","0.0293","0.0226","","","0.0459","0.0477","","","","","","1.054","","","","has coordinates","223843","2020-10-21","18:00:00",""
"7701052","11.3237","0.0002","17.5348","0.0003","19.325","0.0004","90","","102.572","0.002","90","","3745.15","0.12","150","2","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 Fe N2 O5 -","- C37 H59 Fe N2 O5 -","- C148 H236 Fe4 N8 O20 -","4","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","0.71073","MoKα","","0.0608","0.0405","","","0.1052","0.1154","","","","","","1.014","","","","has coordinates,has disorder","224242","2020-10-21","18:00:00",""
"7701053","15.4565","0.0007","16.0514","0.0008","17.3452","0.0008","86.551","0.004","86.834","0.004","76.058","0.004","4165.3","0.3","150","2","150","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C38 H59 Fe N2 O4 -","- C38 H59 Fe N2 O4 -","- C152 H236 Fe4 N8 O16 -","4","2","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","0.71073","MoKα","","0.1181","0.0651","","","0.1259","0.1452","","","","","","0.944","","","","has coordinates","224242","2020-10-21","18:00:00",""
"7701054","17.504","0.0005","8.2528","0.0002","17.7346","0.0005","90","","96.933","0.003","90","","2543.15","0.12","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Fe N2 O4 -","- C28 H37 Fe N2 O4 -","- C112 H148 Fe4 N8 O16 -","4","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","1.54184","CuKα","","0.0451","0.0374","","","0.0938","0.0982","","","","","","1.032","","","","has coordinates","224242","2020-10-21","18:00:00",""
"7701055","10.9269","0.0007","13.1291","0.001","14.0182","0.0007","87.693","0.005","81.168","0.004","80.394","0.006","1959.1","0.2","150","2","149.7","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C40 H61 Fe N2 O4 -","- C40 H61 Fe N2 O4 -","- C80 H122 Fe2 N4 O8 -","2","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","1.54184","CuKα","","0.0747","0.0515","","","0.1109","0.1194","","","","","","1.016","","","","has coordinates","224242","2020-10-21","18:00:00",""
"7701056","14.7114","0.0003","24.5841","0.0004","11.2564","0.0002","90","","101.32","0.002","90","","3991.87","0.13","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 Fe N2 O5 -","- C42 H61 Fe N2 O5 -","- C168 H244 Fe4 N8 O20 -","4","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","1.54184","CuKα","","0.0754","0.0521","","","0.1225","0.1343","","","","","","1.024","","","","has coordinates,has disorder","224242","2020-10-21","18:00:00",""
"7701057","10.2477","0.0001","10.2477","0.0001","28.1421","0.0005","90","","90","","90","","2955.35","0.07","150","0.1","150","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H42.4 Fe N2 O5.3 -","- C30 H41.4 Fe N2 O5.3 -","- C120 H165.6 Fe4 N8 O21.2 -","4","0.5","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","","1.54184","CuKα","","0.0392","0.0355","","","0.0966","0.0999","","","","","","1.063","","","","has coordinates,has disorder","224242","2020-10-21","18:00:00",""
"7701058","19.0502","0.0018","10.2223","0.0006","34.8712","0.0012","90","","90","","90","","6790.7","0.8","150","2","150.01","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H49 Fe N2 O4 -","- C34 H49 Fe N2 O4 -","- C272 H392 Fe8 N16 O32 -","8","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","0.71073","MoKα","","0.0585","0.043","","","0.0972","0.1041","","","","","","1.097","","","","has coordinates","224242","2020-10-21","18:00:00",""
"7701059","10.508","0.0002","22.7778","0.0003","15.3749","0.0002","90","","91.799","0.001","90","","3678.15","0.1","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H57 Fe N2 O4 -","- C38 H57 Fe N2 O4 -","- C152 H228 Fe4 N8 O16 -","4","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","1.54184","CuKα","","0.0494","0.0379","","","0.0962","0.101","","","","","","1.035","","","","has coordinates","224242","2020-10-21","18:00:00",""
"7701060","35.8753","0.0003","24.4464","0.0002","32.1563","0.0003","90","","114.077","0.001","90","","25748.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C202 H273 N26 O98 Zn16 -","- C136 H107 N8 O83 Zn16 -","- C544 H428 N32 O332 Zn64 -","4","1","","Wang, Ce; Yin, Zheng; Ma, Wei-Min; Li, Xi-Yao; Cao, Li-Hui; Cheng, Yu; Yu, Xin-Yu; Ma, Yang-Min","Near sunlight continuous broadband white-light emission by single-phase Zn(ii)-1,3,5-benzenetricarboxylate MOFs.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14966","14970","10.1039/c9dt03388b","","x-ray","1.54184","CuKα","","0.1421","0.1358","","","0.5146","0.5325","","","","","","1.036","","","","has coordinates","224260","2020-10-21","18:00:00",""
"7701061","9.7822","0.0006","10.1096","0.0004","16.8542","0.001","102.863","0.004","96.007","0.005","106.756","0.004","1530.3","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N10 O5 S4 Zn2 -","- C26 H24 N10 O5 S4 Zn2 -","- C52 H48 N20 O10 S8 Zn4 -","2","1","","Bansal, Deepak; Gupta, Rajeev","Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14737","14747","10.1039/c9dt02404b","","","0.71073","MoKα","","0.0439","0.0361","","","0.0822","0.087","","","","","","0.834","","","","has coordinates,has disorder","224056","2020-10-21","18:00:00",""
"7701062","16.853","0.005","21.374","0.005","17.358","0.005","90","","90.118","0.005","90","","6253","3","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H116 N30 Na2 O20 S8 Zn4 -","- C114 H116 N30 Na2 O20 S8 Zn4 -","- C228 H232 N60 Na4 O40 S16 Zn8 -","2","0.5","","Bansal, Deepak; Gupta, Rajeev","Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14737","14747","10.1039/c9dt02404b","","","0.71073","MoKα","","0.0661","0.0574","","","0.1515","0.1569","","","","","","1.036","","","","has coordinates,has disorder","224056","2020-10-21","18:00:00",""
"7701063","12.822","0.005","20.303","0.005","15.546","0.005","90","","94.467","0.005","90","","4035","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 N24 Na2 O14 S8 Zn4 -","- C64 H58 N24 Na2 O14 S8 Zn4 -","- C128 H116 N48 Na4 O28 S16 Zn8 -","2","0.5","","Bansal, Deepak; Gupta, Rajeev","Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14737","14747","10.1039/c9dt02404b","","","0.71073","MoKα","","0.036","0.0313","","","0.0751","0.0773","","","","","","1.048","","","","has coordinates,has disorder","224056","2020-10-21","18:00:00",""
"7701064","12.345","0.005","13.843","0.005","18.915","0.005","99.229","0.005","91.953","0.005","115.123","0.005","2869.8","1.7","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H100 N22 Na2 O20 S4 Zn4 -","- C102 H100 N22 Na2 O20 S4 Zn4 -","- C102 H100 N22 Na2 O20 S4 Zn4 -","1","0.5","","Bansal, Deepak; Gupta, Rajeev","Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14737","14747","10.1039/c9dt02404b","","","0.71073","MoKα","","0.0518","0.0483","","","0.1512","0.1543","","","","","","1.007","","","","has coordinates,has disorder","224056","2020-10-21","18:00:00",""
"7701065","11.5264","0.0008","11.5264","0.0008","15.2164","0.001","90","","90","","120","","1750.8","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Co Cs Li3 O12 -","- C6 Co Cs Li3 O12 -","- C36 Co6 Cs6 Li18 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0228","0.0202","","","0.092","0.0955","","","","","","0.853","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701066","11.3796","0.0007","11.3796","0.0007","14.9962","0.001","90","","90","","120","","1681.77","0.18","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Li3 Ni O12 Rb -","- C6 Li3 Ni O12 Rb -","- C36 Li18 Ni6 O72 Rb6 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0418","0.0328","","","0.1025","0.1131","","","","","","0.876","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701067","11.3215","0.0009","11.3215","0.0009","15.0942","0.0013","90","","90","","120","","1675.5","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Co K Li3 O12 -","- C6 Co K Li3 O12 -","- C36 Co6 K6 Li18 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0639","0.0329","","","0.0808","0.1","","","","","","0.631","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701068","11.6046","0.0008","11.6046","0.0008","15.1779","0.0012","90","","90","","120","","1770.1","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Cs Fe Li3 O12 -","- C6 Cs Fe Li3 O12 -","- C36 Cs6 Fe6 Li18 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0438","0.0346","","","0.1153","0.1357","","","","","","1.145","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701069","11.478","0.0008","11.478","0.0008","15.1001","0.0012","90","","90","","120","","1722.8","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Fe Li3 O12 Rb -","- C6 Fe Li3 O12 Rb -","- C36 Fe6 Li18 O72 Rb6 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0412","0.0251","","","0.0886","0.1084","","","","","","0.815","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701070","11.4019","0.0008","11.4019","0.0008","15.1029","0.0012","90","","90","","120","","1700.4","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Co Li3 O12 Rb -","- C6 Co Li3 O12 Rb -","- C36 Co6 Li18 O72 Rb6 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0508","0.0274","","","0.0736","0.0931","","","","","","0.61","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701071","11.3071","0.0008","11.3071","0.0008","14.9434","0.0012","90","","90","","120","","1654.6","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 K Li3 Ni O12 -","- C6 K Li3 Ni O12 -","- C36 K6 Li18 Ni6 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0246","0.0216","","","0.0748","0.0791","","","","","","0.711","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701072","11.4908","0.0008","11.4908","0.0008","15.1534","0.001","90","","90","","120","","1732.8","0.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 Cs Li3 Ni O12 -","- C6 Cs Li3 Ni O12 -","- C36 Cs6 Li18 Ni6 O72 -","6","0.166667","","Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip","Perovzalates: a family of perovskite-related oxalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14461","14466","10.1039/c9dt03149a","","","0.71075","MoKα","","0.0253","0.0229","","","0.1012","0.1043","","","","","","0.935","","","","has coordinates","224565","2020-10-21","18:00:00",""
"7701073","10.5465","0.0014","12.5852","0.0017","13.9485","0.0018","73.117","0.003","73.645","0.004","87.82","0.004","1698","0.4","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 I N2 S3 -","- C15 H13 I N2 S3 -","- C60 H52 I4 N8 S12 -","4","2","","Wang, Weiran; Guo, Hongyu; Jones, Richard A.","Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14440","14449","10.1039/c9dt03363g","","","0.71075","MoKα","","0.0492","0.0404","","","0.1","0.1045","","","","","","1.053","","","","has coordinates,has disorder","224552","2020-10-21","18:00:00",""
"7701074","21.932","0.003","11.3524","0.0013","19.528","0.002","90","","99.221","0.006","90","","4799.3","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I2 N3 Pt S3 -","- C20 H17 I2 N3 Pt S3 -","- C160 H136 I16 N24 Pt8 S24 -","8","2","","Wang, Weiran; Guo, Hongyu; Jones, Richard A.","Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14440","14449","10.1039/c9dt03363g","","","0.71073","MoKα","","0.0344","0.027","","","0.059","0.0612","","","","","","1.057","","","","has coordinates,has disorder","224552","2020-10-21","18:00:00",""
"7701075","16.423","0.002","7.9595","0.001","15.932","0.002","90","","108.871","0.005","90","","1970.7","0.4","100","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 I2 N3 Pd S -","- C13 H15 Cl2 I2 N3 Pd S -","- C52 H60 Cl8 I8 N12 Pd4 S4 -","4","1","","Wang, Weiran; Guo, Hongyu; Jones, Richard A.","Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14440","14449","10.1039/c9dt03363g","","","0.71073","MoKα","","0.0193","0.0168","","","0.0406","0.0412","","","","","","1.075","","","","has coordinates","224552","2020-10-21","18:00:00",""
"7701076","22.1504","0.0019","11.3508","0.0009","19.5686","0.0017","90","","98.853","0.002","90","","4861.4","0.7","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I2 N3 Pd S3 -","- C20 H17 I2 N3 Pd S3 -","- C160 H136 I16 N24 Pd8 S24 -","8","2","","Wang, Weiran; Guo, Hongyu; Jones, Richard A.","Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14440","14449","10.1039/c9dt03363g","","","0.71075","MoKα","","0.0412","0.0375","","","0.0861","0.0876","","","","","","1.161","","","","has coordinates,has disorder","224552","2020-10-21","18:00:00",""
"7701077","10.316","0.007","18.602","0.014","18.96","0.013","82.83","0.02","76.32","0.02","89.9","0.02","3506","4","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Cu N2 O7.5 -","- C20 H24 Cu N2 O5 -","- C120 H144 Cu6 N12 O30 -","6","3","","Maity, Souvik; Mondal, Arpan; Konar, Sanjit; Ghosh, Ashutosh","The role of 3d-4f exchange interaction in SMM behaviour and magnetic refrigeration of carbonato bridged CuLn (Ln = Dy, Tb and Gd) complexes of an unsymmetrical N<sub>2</sub>O<sub>4</sub> donor ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15170","15183","10.1039/c9dt02627d","","","0.71073","MoKα","","0.1666","0.086","","","0.1877","0.2281","","","","","","1.017","","","","has coordinates,has disorder","224257","2020-10-21","18:00:00",""
"7701078","14.1519","0.0007","12.4217","0.0006","14.2822","0.0007","90","","92.931","0.001","90","","2507.4","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu2 Gd2 N6 O22 -","- C44 H52 Cu2 Gd2 N6 O22 -","- C88 H104 Cu4 Gd4 N12 O44 -","2","0.5","","Maity, Souvik; Mondal, Arpan; Konar, Sanjit; Ghosh, Ashutosh","The role of 3d-4f exchange interaction in SMM behaviour and magnetic refrigeration of carbonato bridged CuLn (Ln = Dy, Tb and Gd) complexes of an unsymmetrical N<sub>2</sub>O<sub>4</sub> donor ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15170","15183","10.1039/c9dt02627d","","","0.71073","MoKα","","0.0642","0.0449","","","0.0963","0.1182","","","","","","1.153","","","","has coordinates,has disorder","224257","2020-10-21","18:00:00",""
"7701079","14.1685","0.0014","12.4034","0.0013","14.3048","0.0015","90","","92.458","0.002","90","","2511.6","0.4","296","2","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu2 N6 O22 Tb2 -","- C44 H52 Cu2 N6 O22 Tb2 -","- C88 H104 Cu4 N12 O44 Tb4 -","2","0.5","","Maity, Souvik; Mondal, Arpan; Konar, Sanjit; Ghosh, Ashutosh","The role of 3d-4f exchange interaction in SMM behaviour and magnetic refrigeration of carbonato bridged CuLn (Ln = Dy, Tb and Gd) complexes of an unsymmetrical N<sub>2</sub>O<sub>4</sub> donor ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15170","15183","10.1039/c9dt02627d","","","0.71073","MoKα","","0.0794","0.0524","","","0.138","0.1647","","","","","","1.086","","","","has coordinates,has disorder","224257","2020-10-21","18:00:00",""
"7701080","14.1416","0.0008","12.3829","0.0007","14.332","0.0009","90","","92.08","0.001","90","","2508.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu2 Dy2 N6 O22 -","- C44 H52 Cu2 Dy2 N6 O22 -","- C88 H104 Cu4 Dy4 N12 O44 -","2","0.5","","Maity, Souvik; Mondal, Arpan; Konar, Sanjit; Ghosh, Ashutosh","The role of 3d-4f exchange interaction in SMM behaviour and magnetic refrigeration of carbonato bridged CuLn (Ln = Dy, Tb and Gd) complexes of an unsymmetrical N<sub>2</sub>O<sub>4</sub> donor ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15170","15183","10.1039/c9dt02627d","","","0.71073","MoKα","","0.1052","0.0663","","","0.1433","0.1693","","","","","","1.136","","","","has coordinates,has disorder","224257","2020-10-21","18:00:00",""
"7701081","23.9284","0.0001","23.9284","0.0001","23.9284","0.0001","90","","90","","90","","13700.6","0.1","180.01","0.1","180.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Gd3","","- C66 H45 Gd N9 O6 P3 -","- C66 H45 Gd N9 O6 P3 -","- C528 H360 Gd8 N72 O48 P24 -","8","0.333333","","Sun, Boxun; Wei, Chen; Wei, Huibo; Cai, Zelun; Liu, Huanyu; Zang, Zhiyu; Yan, Wenchao; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Highly efficient room-temperature phosphorescence achieved by gadolinium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14958","14961","10.1039/c9dt03050f","","x-ray","0.71073","MoKα","","0.0774","0.0427","","","0.1086","0.1411","","","","","","1.038","","","","has coordinates,has disorder","224238","2020-10-21","18:00:00",""
"7701082","16.0432","0.0008","15.9972","0.0008","18.3751","0.001","90","","92.343","0.003","90","","4712","0.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cu2 F6 K N4 O8 P -","- C42 H52 Cu2 F6 K N4 O8 P -","- C168 H208 Cu8 F24 K4 N16 O32 P4 -","4","1","","Maity, Souvik; Ghosh, Soumavo; Ghosh, Ashutosh","Elucidating the secondary effect in the Lewis acid mediated anodic shift of electrochemical oxidation of a Cu(ii) complex with a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14898","14913","10.1039/c9dt03323h","","","0.71073","MoKα","","0.132","0.0961","","","0.289","0.33","","","","","","1.238","","","","has coordinates","224047","2020-10-21","18:00:00",""
"7701083","16.038","0.003","16.027","0.003","18.28","0.004","90","","92.334","0.005","90","","4694.8","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 Cu2 N4 O16 Zn -","- C42 H52 Cl2 Cu2 N4 O16 Zn -","- C168 H208 Cl8 Cu8 N16 O64 Zn4 -","4","1","","Maity, Souvik; Ghosh, Soumavo; Ghosh, Ashutosh","Elucidating the secondary effect in the Lewis acid mediated anodic shift of electrochemical oxidation of a Cu(ii) complex with a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14898","14913","10.1039/c9dt03323h","","","0.71073","MoKα","","0.1083","0.0595","","","0.1562","0.1892","","","","","","1.118","","","","has coordinates,has disorder","224047","2020-10-21","18:00:00",""
"7701084","38.18","0.05","4.131","0.005","13.354","0.012","90","","96.66","0.05","90","","2092","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","NapNCAuBr","2-naphthylisonitrile bromido gold(I)","","- C11 H7 Au Br N -","- C11 H7 Au Br N -","- C88 H56 Au8 Br8 N8 -","8","1","","Gründlinger, Petra; Györök, Michael; Wolfmayr, Sebastian; Breuer, Tobias; Primetzhofer, Daniel; Bruckner, Barbara; Monkowius, Uwe; Wagner, Thorsten","Aggregation of Au(i)-complexes on amorphous substrates governed by aurophilicity.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14712","14723","10.1039/c9dt03049b","","","0.71073","MoKα","","0.0772","0.0724","","","0.1787","0.1815","","","","","","1.051","","","","has coordinates","224051","2020-10-21","18:00:00",""
"7701085","4.7397","0.0003","9.8038","0.0006","12.3826","0.0007","99.575","0.003","91.594","0.003","98.13","0.003","560.89","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","NapNCAuI","2-naphthylisonitrile iodido gold(I)","","- C11 H7 Au I N -","- C11 H7 Au I N -","- C22 H14 Au2 I2 N2 -","2","1","","Gründlinger, Petra; Györök, Michael; Wolfmayr, Sebastian; Breuer, Tobias; Primetzhofer, Daniel; Bruckner, Barbara; Monkowius, Uwe; Wagner, Thorsten","Aggregation of Au(i)-complexes on amorphous substrates governed by aurophilicity.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14712","14723","10.1039/c9dt03049b","","","0.71073","MoKα","","0.0862","0.0464","","","0.09","0.1053","","","","","","1.079","","","","has coordinates","224051","2020-10-21","18:00:00",""
"7701086","15.0906","0.0012","16.8592","0.0013","23.0499","0.0018","90","","99.144","0.002","90","","5789.7","0.8","100","2","100.11","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H34 B2 F30 N2 Na O3 -","- C60 H34 B2 F30 N2 Na O3 -","- C240 H136 B8 F120 N8 Na4 O12 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.167","0.096","","","0.2815","0.3338","","","","","","1.035","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701087","13.3526","0.0011","30.789","0.002","16.1477","0.0013","90","","93.24","0.002","90","","6627.9","0.9","100","2","100.08","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H41 B2 Cl F30 N3 Na O5 -","- C62.5 H41 B2 Cl F30 N3 Na O5 -","- C250 H164 B8 Cl4 F120 N12 Na4 O20 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0999","0.0815","","","0.2159","0.2276","","","","","","1.114","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701088","12.7032","0.0013","13.4507","0.0013","20.407","0.002","91.293","0.002","91.963","0.002","107.76","0.002","3316.8","0.6","100","2","99.95","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H53 B2 F30 N2 Na O6.5 -","- C68 H53 B2 F30 N2 Na O6.5 -","- C136 H106 B4 F60 N4 Na2 O13 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.193","0.1031","","","0.2907","0.3639","","","","","","1.035","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701089","14.2164","0.0017","14.4515","0.0017","17.12","0.002","81.955","0.002","72.302","0.002","67.813","0.002","3101.4","0.6","100","2","100.03","","","","","","","","","7","P -1","-P 1","2","","","","- C126 H80 B4 F60 N6 Na2 O8 -","- C126 H80 B4 F60 N6 Na2 O8 -","- C126 H80 B4 F60 N6 Na2 O8 -","1","0.5","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0484","0.035","","","0.0828","0.09","","","","","","1.013","","","","has coordinates","291143","2024-04-09","08:50:31",""
"7701090","11.173","0.003","12.137","0.003","22.128","0.005","96.896","0.004","99.379","0.005","114.259","0.004","2640.2","1.1","108","2","107.92","","","","","","","","","7","P -1","-P 1","2","","","","- C104 H56 B4 F60 N4 Na4 O8 -","- C104 H56 B4 F60 N4 Na4 O8 -","- C104 H56 B4 F60 N4 Na4 O8 -","1","0.5","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.1674","0.0815","","","0.1909","0.2242","","","","","","1.039","","","","has coordinates","291143","2024-04-09","08:50:43",""
"7701091","33.184","0.003","15.7566","0.0014","26.172","0.002","90","","109.217","0.002","90","","12922","1.9","100","2","100.04","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H42 B2 Cl2 F30 N3 Na O3 -","- C63 H42 B2 Cl2 F30 N3 Na O3 -","- C504 H336 B16 Cl16 F240 N24 Na8 O24 -","8","2","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.1486","0.0933","","","0.2463","0.2826","","","","","","1.04","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7701092","15.937","0.003","25.254","0.004","18.608","0.003","90","","106.941","0.003","90","","7164","2","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H45 B2 F36 N2 Na O5 -","- C67 H45 B2 F36 N2 Na O5 -","- C268 H180 B8 F144 N8 Na4 O20 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.1336","0.0711","","","0.1507","0.1751","","","","","","1.028","","","","has coordinates,has disorder","223853","2020-10-21","18:00:00",""
"7701093","15.857","0.003","19.087","0.004","19.142","0.004","115.371","0.003","106.919","0.003","99.963","0.004","4701.8","1.7","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C91 H63 B2 Cl2 F30 N7 O2 Pd -","- C91 H63 B2 Cl2 F30 N7 O2 Pd -","- C182 H126 B4 Cl4 F60 N14 O4 Pd2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0451","0.0411","","","0.1082","0.112","","","","","","1.027","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701094","14.1686","0.0015","18.684","0.002","19.045","0.002","114.321","0.004","98.469","0.004","107.83","0.004","4150.7","0.8","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H50 B2 Cl2 F33 N5 O Pd -","- C84 H50 B2 Cl2 F33 N5 O Pd -","- C168 H100 B4 Cl4 F66 N10 O2 Pd2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.2389","0.0804","","","0.1421","0.1929","","","","","","0.96","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701095","12.184","0.006","19.349","0.01","33.546","0.017","90","","96.835","0.009","90","","7852","7","100","2","99.88","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H55 Au B2 Cl2 F30 N4 -","- C79 H55 Au B2 Cl2 F30 N4 -","- C316 H220 Au4 B8 Cl8 F120 N16 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.138","0.0662","","","0.1297","0.1535","","","","","","1.013","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701096","18.6043","0.0018","26.89","0.003","21.779","0.002","90","","101.862","0.002","90","","10662.7","1.9","100","2","99.93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117 H88 B2 F30 N6 O3 Pd -","- C117 H88 B2 F30 N6 O3 Pd -","- C468 H352 B8 F120 N24 O12 Pd4 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0543","0.0408","","","0.1023","0.1133","","","","","","1.042","","","","has coordinates,has disorder","223853","2020-10-21","18:00:00",""
"7701097","15.283","0.012","18.375","0.014","19.561","0.015","63.006","0.014","67.128","0.014","89.768","0.015","4409","6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H52 Au B2 F33 N4 -","- C87 H52 Au B2 F33 N4 -","- C174 H104 Au2 B4 F66 N8 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.083","0.0455","","","0.0869","0.0973","","","","","","0.963","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701098","13.708","0.002","18.136","0.003","18.494","0.003","113.739","0.003","97.758","0.003","99.532","0.003","4045.8","1.1","100","2","100.11","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H56.69 Au B2 Cl4 F30 N4 -","- C88 H56.684 Au B2 Cl4 F30 N4 -","- C176 H113.368 Au2 B4 Cl8 F60 N8 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0557","0.0442","","","0.1206","0.1276","","","","","","1.042","","","","has coordinates,has disorder","223853","2020-10-21","18:00:00",""
"7701099","11.2277","0.0011","21.034","0.002","17.164","0.0018","90","","98.416","0.002","90","","4009.9","0.7","100","2","99.95","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C79 H58 Au B2 Cl4 F33 N3 P -","- C79 H58 Au B2 Cl4 F33 N3 P -","- C158 H116 Au2 B4 Cl8 F66 N6 P2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0561","0.0361","","","0.0692","0.076","","","","","","0.79","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701100","12.2126","0.0018","16.759","0.002","17.209","0.003","90.069","0.003","104.596","0.003","106.61","0.003","3256.1","0.8","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H43 B2 Cl2 F30 N2 Na O6 -","- C64 H43 B2 Cl2 F30 N2 Na O6 -","- C128 H86 B4 Cl4 F60 N4 Na2 O12 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.1254","0.0943","","","0.2663","0.2963","","","","","","1.04","","","","has coordinates,has disorder","223853","2020-10-21","18:00:00",""
"7701101","12.0598","0.0009","17.1612","0.0012","20.1955","0.0013","107.765","0.001","90.975","0.001","100.598","0.001","3900.5","0.5","100","2","100.09","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H55 Au B2 F30 N4 -","- C82 H55 Au B2 F30 N4 -","- C164 H110 Au2 B4 F60 N8 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0737","0.0541","","","0.1214","0.131","","","","","","1.058","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701102","8.061","0.006","14.293","0.009","9.908","0.007","90","","99.483","0.012","90","","1126","1.4","100","2","100.16","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F6 N2 -","- C11 H6 F6 N2 -","- C44 H24 F24 N8 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.1025","0.0643","","","0.1583","0.1781","","","","","","1.048","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701103","12.1872","0.0017","19","0.003","14.971","0.002","90","","111.618","0.003","90","","3222.8","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H46 B2 F30 N3 Na O4 -","- C64 H46 B2 F30 N3 Na O4 -","- C128 H92 B4 F60 N6 Na2 O8 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.11","0.0753","","","0.2094","0.2399","","","","","","1.034","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701104","22.722","0.002","18.9379","0.0019","22.844","0.002","90","","105.759","0.002","90","","9460.5","1.5","100","2","100.07","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H51 B2 F30 N5 O3 Pd -","- C84 H51 B2 F30 N5 O3 Pd -","- C336 H204 B8 F120 N20 O12 Pd4 -","4","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0905","0.0468","","","0.1023","0.1169","","","","","","1.004","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701105","7.9951","0.0013","14.758","0.002","21.725","0.004","90","","90","","90","","2563.4","0.7","100","2","100.1","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12.5 H14 Cl N3 O -","- C12.5 H14 Cl N3 O -","- C100 H112 Cl8 N24 O8 -","8","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0884","0.0663","","","0.1396","0.1469","","","","","","1.197","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701106","10.77","0.002","12.463","0.002","19.67","0.004","76.608","0.004","75.959","0.004","78.159","0.004","2460.5","0.8","100","2","100.03","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H51 Au B F15 N O P -","- C51 H51 Au B F15 N O P -","- C102 H102 Au2 B2 F30 N2 O2 P2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0445","0.0346","","","0.0746","0.0782","","","","","","1.046","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701107","15.447","0.003","17.053","0.003","18.04","0.003","67.41","0.003","82.92","0.004","84.125","0.004","4346.2","1.4","100","2","100.13","","","","","","","","","8","P -1","-P 1","2","","","","- C83 H63 Au B2 Cl6 F30 N3 P -","- C83 H63 Au B2 Cl6 F30 N3 P -","- C166 H126 Au2 B4 Cl12 F60 N6 P2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0413","0.0353","","","0.0901","0.0929","","","","","","1.032","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701108","11.4352","0.0019","20.494","0.003","17.462","0.003","90","","98.794","0.004","90","","4044.2","1.1","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H57 Au B2 F30 N3 O2 P -","- C78 H57 Au B2 F30 N3 O2 P -","- C156 H114 Au2 B4 F60 N6 O4 P2 -","2","1","","Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.","Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14138","14155","10.1039/c9dt03511g","","","0.71073","MoKα","","0.0367","0.0295","","","0.0576","0.0592","","","","","","0.856","","","","has coordinates","223853","2020-10-21","18:00:00",""
"7701109","14.512","0.005","8.525","0.003","19.444","0.007","90","","97.96","0.03","90","","2382.3","1.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H60 Bi8 Br36 N24 -","- C12 H60 Bi8 Br36 N24 -","- C12 H60 Bi8 Br36 N24 -","1","0.25","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.2111","0.1187","","","0.2719","0.3218","","","","","","1.042","","","","has coordinates","224042","2020-10-21","18:00:00",""
"7701110","21.48","0.019","7.668","0.005","13.332","0.007","90","","90","","90","","2196","3","230","2","230","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Bi2 Cl9 N6 -","- C3 H15 Bi2 Cl9 N6 -","- C12 H60 Bi8 Cl36 N24 -","4","0.5","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.0881","0.0477","","","0.1087","0.1203","","","","","","0.884","","","","has coordinates,has disorder","224042","2020-10-21","18:00:00",""
"7701111","8.366","0.007","8.366","0.007","10.183","0.009","90","","90","","120","","617.2","0.9","210","2","210","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C3 H15 Bi2 Br9 N6 -","- C3.0002 H14.9998 Bi2 Br9 N6 -","- C3.0002 H14.9998 Bi2 Br9 N6 -","1","0.0833333","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.0909","0.0513","","","0.1045","0.1226","","","","","","1.037","","","","has coordinates","224042","2020-10-21","18:00:00",""
"7701112","42.983","0.017","7.66","0.003","26.502","0.012","90","","90.14","0.04","90","","8726","6","183","2","183","2","","","","","","","","5","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","","","- C3 H15 Bi2 Cl9 N6 -","- C3 H15 Bi2 Cl9 N6 -","- C48 H240 Bi32 Cl144 N96 -","16","","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.1048","0.0562","","","0.119","0.1315","","","","","","0.876","","","","has coordinates,has disorder","224042","2020-10-21","18:00:00",""
"7701113","21.422","0.009","7.546","0.003","26.404","0.011","90","","90.17","0.03","90","","4268","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H15 Bi2 Cl9 N6 O0 -","- C3 H15 Bi2 Cl9 N6 -","- C24 H120 Bi16 Cl72 N48 -","8","2","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.1059","0.0631","","","0.1382","0.1533","","","","","","0.949","","","","has coordinates","224042","2020-10-21","18:00:00",""
"7701114","10.5385","0.0005","12.3978","0.0006","22.3593","0.0012","99.057","0.002","98.106","0.002","101.379","0.002","2783.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H70 N4 Ni O31 P6 -","- C38 H70 N4 Ni O31 P6 -","- C76 H140 N8 Ni2 O62 P12 -","2","1","","Feng, Lu; Pan, Zhi-Quan; Zhou, Hong; Zhou, Min; Hou, Hao-Bo","Water-mediated proton conduction in Ni(ii) and Co(ii) benzenetriphosphonates","Dalton Transactions","2019","","","","","10.1039/C9DT02960E","","","0.71073","MoKα","","0.0874","0.0465","","","0.0859","0.0985","","","","","","1.018","","","","has coordinates","218114","2020-10-21","18:00:00",""
"7701115","11.3714","0.0007","11.8312","0.0007","13.1735","0.0007","107.348","0.002","100.689","0.002","101.407","0.002","1600.7","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co2 N6 O32 P6 -","- C48 H78 Co2 N6 O32 P6 -","- C48 H78 Co2 N6 O32 P6 -","1","0.5","","Feng, Lu; Pan, Zhi-Quan; Zhou, Hong; Zhou, Min; Hou, Hao-Bo","Water-mediated proton conduction in Ni(ii) and Co(ii) benzenetriphosphonates","Dalton Transactions","2019","","","","","10.1039/C9DT02960E","","","0.71073","MoKα","","0.0678","0.0404","","","0.0792","0.0878","","","","","","1.021","","","","has coordinates","218114","2020-10-21","18:00:00",""
"7701116","12.959","0.003","12.394","0.003","19.345","0.004","90","","94.4","0.03","90","","3097.9","1.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)","","- C54 H86 Co2 N8 O24 Y2 -","- C54 H86 Co2 N8 O24 Y2 -","- C108 H172 Co4 N16 O48 Y4 -","2","0.5","","Masegosa, Alberto; Palacios, María A; Ruiz, Eliseo; Gómez-Coca, Silvia; Krzystek, J.; Moreno, José M; Colacio, Enrique","Dinuclear Co<sup>II</sup>Y<sup>III</sup>vs. tetranuclear CoY complexes: the effect of increasing molecular size on magnetic anisotropy and relaxation dynamics.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14873","14884","10.1039/c9dt02969a","","","0.71073","MoKα","","0.0413","0.0305","","","0.0695","0.0749","","","","","","1.117","","","","has coordinates,has disorder","224048","2020-10-21","18:00:00",""
"7701117","10.907","0.0007","11.7927","0.0007","12.8472","0.0008","68.952","0.006","84.954","0.006","63.988","0.007","1381.2","0.18","103.7","0.1","103.7","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B2 F8 Fe N10 -","- C22 H24 B2 F8 Fe N10 -","- C44 H48 B4 F16 Fe2 N20 -","2","1","","Wang, Denan; Gardinier, James R.; Lindeman, Sergey V.","Iron(ii) tetrafluoroborate complexes of new tetradentate C-scorpionates as catalysts for the oxidative cleavage of trans-stilbene with H<sub>2</sub>O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14478","14489","10.1039/c9dt02829c","","x-ray","1.54184","CuKα","","0.0572","0.0475","","","0.1322","0.1428","","","","","","1.104","","","","has coordinates","224562","2020-10-21","18:00:00",""
"7701118","20.1371","0.0003","12.73175","0.00016","25.9506","0.0004","90","","106.418","0.0015","90","","6381.95","0.17","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25.98 H33.28 B2 F8 Fe N9.34 O0.33 -","- C25.984 H33.284 B2 F8 Fe N9.338 O0.327 -","- C207.872 H266.272 B16 F64 Fe8 N74.704 O2.616 -","8","2","","Wang, Denan; Gardinier, James R.; Lindeman, Sergey V.","Iron(ii) tetrafluoroborate complexes of new tetradentate C-scorpionates as catalysts for the oxidative cleavage of trans-stilbene with H<sub>2</sub>O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14478","14489","10.1039/c9dt02829c","","x-ray","1.54184","CuKα","","0.0385","0.0357","","","0.0908","0.0932","","","","","","1.03","","","","has coordinates,has disorder","224562","2020-10-21","18:00:00",""
"7701119","11.1636","0.0003","12.0625","0.0003","12.7027","0.0004","70.105","0.003","83.875","0.002","65.212","0.003","1458.97","0.08","250","2","250","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B2 F8 Fe N10 -","- C22 H24 B2 F8 Fe N10 -","- C44 H48 B4 F16 Fe2 N20 -","2","1","","Wang, Denan; Gardinier, James R.; Lindeman, Sergey V.","Iron(ii) tetrafluoroborate complexes of new tetradentate C-scorpionates as catalysts for the oxidative cleavage of trans-stilbene with H<sub>2</sub>O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14478","14489","10.1039/c9dt02829c","","x-ray","1.54184","CuKα","","0.0377","0.0364","","","0.102","0.1035","","","","","","1.05","","","","has coordinates,has disorder","224562","2020-10-21","18:00:00",""
"7701120","7.9064","0.0013","8.1423","0.0011","11.5605","0.0017","98.881","0.01","106.291","0.011","95.593","0.013","697.96","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 F3 N2 O2 -","- C15 H7 F3 N2 O2 -","- C30 H14 F6 N4 O4 -","2","1","","Günsel, Armağan; Bilgiçli, Ahmet T; Pişkin, Hasan; Tüzün, Burak; Yarasir, M Nilüfer; Gündüz, Bayram","Synthesis of non-peripherally tetra-substituted copper(ii) phthalocyanines: characterization, optical and surface properties, fabrication and photo-electrical properties of a photosensitive diode.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14839","14852","10.1039/c9dt02868d","","","0.71073","MoKα","","0.1298","0.071","","","0.1823","0.2198","","","","","","1.051","","","","has coordinates","224046","2020-10-21","18:00:00",""
"7701121","8.9848","0.0011","7.3395","0.0008","9.5296","0.0009","90","","101.101","0.004","90","","616.66","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- F3 N3 O9 Rb3 Sb -","- F3 N3 O9 Rb3 Sb -","- F6 N6 O18 Rb6 Sb2 -","2","1","","Wang, Lei; Yang, Fei; Zhao, Xiaoyu; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Rb<sub>3</sub>SbF<sub>3</sub>(NO<sub>3</sub>)<sub>3</sub>: an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15144","15150","10.1039/c9dt03233a","","","0.71073","MoKα","","0.0314","0.0274","","","0.0632","0.0674","","","","","","1.023","","","","has coordinates","224240","2020-10-21","18:00:00",""
"7701122","9.1165","0.0004","14.3444","0.0006","7.2327","0.0003","90","","108.033","0.002","90","","899.36","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N9 O3 -","- C4 H7 N9 O3 -","- C16 H28 N36 O12 -","4","1","","Tang, Yongxing; Ma, Jinchao; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Versatile functionalization of 3,5-diamino-4-nitropyrazole for promising insensitive energetic compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14490","14496","10.1039/c9dt03138c","","","0.71073","MoKα","","0.0827","0.0465","","","0.106","0.1222","","","","","","1.018","","","","has coordinates","224559","2020-10-21","18:00:00",""
"7701123","8.5265","0.0006","6.9696","0.0005","18.0794","0.0013","90","","96.241","0.002","90","","1068.02","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl N7 O4 -","- C4 H12 Cl N7 O4 -","- C16 H48 Cl4 N28 O16 -","4","1","","Tang, Yongxing; Ma, Jinchao; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Versatile functionalization of 3,5-diamino-4-nitropyrazole for promising insensitive energetic compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14490","14496","10.1039/c9dt03138c","","","0.71073","MoKα","","0.0986","0.0438","","","0.0958","0.1136","","","","","","0.993","","","","has coordinates","224559","2020-10-21","18:00:00",""
"7701124","7.8649","0.0006","7.8722","0.0006","8.877","0.0006","87.756","0.002","74.218","0.002","73.265","0.002","506.03","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 Cl N8 O3 -","- C5 H9 Cl N8 O3 -","- C10 H18 Cl2 N16 O6 -","2","1","","Tang, Yongxing; Ma, Jinchao; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Versatile functionalization of 3,5-diamino-4-nitropyrazole for promising insensitive energetic compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14490","14496","10.1039/c9dt03138c","","","0.71073","MoKα","","0.0552","0.0395","","","0.0981","0.1063","","","","","","1.029","","","","has coordinates","224559","2020-10-21","18:00:00",""
"7701125","14.651","0.003","13.197","0.003","16.277","0.004","90","","115.211","0.003","90","","2847.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Ga N3 P2 -","- C26 H36 Cl2 Ga N3 P2 -","- C104 H144 Cl8 Ga4 N12 P8 -","4","1","","Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu","Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14606","14610","10.1039/c9dt03443a","","","0.71075","MoKα","","0.0711","0.0528","","","0.126","0.1416","","","","","","1.077","","","","has coordinates","224039","2020-10-21","18:00:00",""
"7701126","11.6099","0.0001","15.9873","0.0002","15.7952","0.0002","90","","91.647","0.001","90","","2930.55","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl3 Ga Ir N3 P2 -","- C26 H36 Cl3 Ga Ir N3 P2 -","- C104 H144 Cl12 Ga4 Ir4 N12 P8 -","4","1","","Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu","Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14606","14610","10.1039/c9dt03443a","","","1.54184","CuKα","","0.0385","0.0361","","","0.0947","0.0969","","","","","","1.041","","","","has coordinates","224039","2020-10-21","18:00:00",""
"7701127","12.3527","0.0002","15.2698","0.0002","16.4771","0.0002","90","","106.009","0.002","90","","2987.43","0.08","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 B Cl In Ir N3 P2 -","- C26 H39 B Cl In Ir N3 P2 -","- C104 H156 B4 Cl4 In4 Ir4 N12 P8 -","4","1","","Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu","Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14606","14610","10.1039/c9dt03443a","","","1.54184","CuKα","","0.0502","0.0451","","","0.1267","0.1304","","","","","","1.058","","","","has coordinates","224039","2020-10-21","18:00:00",""
"7701128","11.5573","0.0001","16.2109","0.0001","16.2745","0.0001","90","","90","","90","","3049.1","0.04","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl3 In Ir N3 P2 -","- C26 H36 Cl3 In Ir N3 P2 -","- C104 H144 Cl12 In4 Ir4 N12 P8 -","4","1","","Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu","Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14606","14610","10.1039/c9dt03443a","","","1.54184","CuKα","","0.0205","0.0203","","","0.0523","0.0524","","","","","","1.033","","","","has coordinates","224039","2020-10-21","18:00:00",""
"7701129","14.7258","0.0011","13.1925","0.0005","16.6583","0.001","90","","116.132","0.008","90","","2905.4","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 In N3 P2 -","- C26 H36 Cl2 In N3 P2 -","- C104 H144 Cl8 In4 N12 P8 -","4","1","","Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu","Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14606","14610","10.1039/c9dt03443a","","","0.71073","MoKα","","0.0729","0.0463","","","0.0948","0.1032","","","","","","1.003","","","","has coordinates","224039","2020-10-21","18:00:00",""
"7701130","20.2076","0.0013","6.015","0.0004","22.725","0.002","90","","90","","90","","2762.2","0.4","114.7","0.7","114.7","0.7","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Fe -","- C20 H16 Fe -","- C160 H128 Fe8 -","8","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0618","0.0367","","","0.0784","0.0848","","","","","","1.024","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701131","8.707","0.01","9.473","0.003","36.37","0.03","90","","90","","90","","3000","4","121","1","121","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 Fe O -","- C21 H16 Fe O -","- C168 H128 Fe8 O8 -","8","2","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","1.54184","CuKα","","0.0894","0.072","","","0.1836","0.1957","","","","","","1.043","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701132","12.8866","0.0008","7.5244","0.0004","21.0448","0.0017","90","","101.335","0.007","90","","2000.8","0.2","130","0.14","130","0.14","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Fe -","- C30 H22 Fe -","- C120 H88 Fe4 -","4","0.5","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.102","0.0751","","","0.1498","0.1578","","","","","","1.137","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701133","12.3825","0.0005","7.7378","0.0004","15.7332","0.0007","90","","93.903","0.004","90","","1503.95","0.12","130","0.1","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br Fe -","- C20 H15 Br Fe -","- C80 H60 Br4 Fe4 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0323","0.0236","","","0.0555","0.0583","","","","","","1.005","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701134","12.155","0.0004","12.9938","0.0003","13.7119","0.0004","90","","90","","90","","2165.65","0.11","129.95","0.1","129.95","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C120 H96 Fe8 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0385","0.0319","","","0.0689","0.0715","","","","","","1.02","","","","has coordinates,has disorder","224567","2020-10-21","18:00:00",""
"7701135","9.662","0.005","10.031","0.005","15.39","0.005","90","","94.773","0.005","90","","1486.4","1.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Fe -","- C21 H18 Fe -","- C84 H72 Fe4 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","1.54184","CuKα","","0.0283","0.027","","","0.0682","0.0692","","","","","","1.049","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701136","15.3517","0.0015","7.3645","0.0007","14.794","0.0014","90","","115.885","0.003","90","","1504.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Fe O -","- C21 H18 Fe O -","- C84 H72 Fe4 O4 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0381","0.0314","","","0.0791","0.082","","","","","","1.066","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701137","9.6644","0.0016","10.7292","0.0016","10.9942","0.0018","90","","110.625","0.018","90","","1066.9","0.3","117","0.1","117","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C60 H48 Fe4 -","2","0.5","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","1.54184","CuKα","","0.0852","0.0732","","","0.1985","0.2122","","","","","","1.092","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701138","13.6264","0.0018","9.7347","0.0013","8.1052","0.0011","90","","95.977","0.004","90","","1069.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C60 H48 Fe4 -","2","0.5","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0687","0.0463","","","0.1012","0.1093","","","","","","1.045","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701139","13.8326","0.0007","11.0072","0.0007","10.0041","0.0005","90","","96.575","0.004","90","","1513.19","0.14","119","4","119","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br Fe -","- C20 H15 Br Fe -","- C80 H60 Br4 Fe4 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","1.54184","CuKα","","0.0502","0.0407","","","0.105","0.1163","","","","","","1.055","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701140","10.3319","0.001","7.7884","0.0007","37.581","0.004","90","","90","","90","","3024.1","0.5","125","0.1","125","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 Br Fe -","- C20 H15 Br Fe -","- C160 H120 Br8 Fe8 -","8","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0675","0.0475","","","0.0781","0.0841","","","","","","1.068","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701141","17.0392","0.0007","10.0481","0.0005","12.2011","0.0005","90","","92.02","0.003","90","","2087.67","0.16","125","0.1","125","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C120 H96 Fe8 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.031","0.0259","","","0.0598","0.0619","","","","","","1.028","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701142","12.6007","0.0003","11.8006","0.0003","27.4502","0.0008","90","","103.184","0.003","90","","3974.15","0.19","100","0.14","100","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 F12 Fe N6 P2 Ru -","- C42 H32 F12 Fe N6 P2 Ru -","- C168 H128 F48 Fe4 N24 P8 Ru4 -","4","1","","Barnsley, Jonathan E.; Findlay, James A.; Shillito, Georgina E.; Pelet, William S.; Scottwell, Synøve Ø; McIntyre, Sam M.; Tay, Elliot J.; Gordon, Keith C.; Crowley, James D.","Long-lived MLCT states for Ru(ii) complexes of ferrocene-appended 2,2'-bipyridines.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15713","15722","10.1039/c9dt02025j","","","1.54184","CuKα","","0.0728","0.0599","","","0.1633","0.1744","","","","","","1.235","","","","has coordinates","223883","2020-10-21","18:00:00",""
"7701143","11.6701","0.0003","11.6701","0.0003","11.6701","0.0003","90","","90","","90","","1589.37","0.07","330","0.1","330","0.1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H10 Fe K N10 -","- C8 Fe K N9.9996 -","- C32 Fe4 K4 N39.9984 -","4","0.0208333","","Trzebiatowska, Monika; Gągor, Anna; Macalik, Lucyna; Peksa, Paulina; Sieradzki, Adam","Phase transition in the extreme: a cubic-to-triclinic symmetry change in dielectrically switchable cyanide perovskites.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15830","15840","10.1039/c9dt03250a","","x-ray","0.71073","MoKα","","0.0499","0.0381","","","0.089","0.0988","","","","","","1.174","","","","has coordinates","224016","2020-10-21","18:00:00",""
"7701144","11.6057","0.0004","11.6057","0.0004","11.6057","0.0004","90","","90","","90","","1563.2","0.09","330.03","0.16","330.03","0.16","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H10 Co K N10 -","- C8 Co K N9.9996 -","- C32 Co4 K4 N39.9984 -","4","0.0208333","","Trzebiatowska, Monika; Gągor, Anna; Macalik, Lucyna; Peksa, Paulina; Sieradzki, Adam","Phase transition in the extreme: a cubic-to-triclinic symmetry change in dielectrically switchable cyanide perovskites.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15830","15840","10.1039/c9dt03250a","","x-ray","0.71073","MoKα","","0.0376","0.0326","","","0.0871","0.0912","","","","","","0.786","","","","has coordinates","224016","2020-10-21","18:00:00",""
"7701145","7.7253","0.0005","7.9135","0.0006","8.3613","0.0007","63.113","0.007","62.506","0.007","62.979","0.007","384.44","0.06","290","2","290","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Fe K N10 -","- C8 H10 Fe K N10 -","- C8 H10 Fe K N10 -","1","0.5","","Trzebiatowska, Monika; Gągor, Anna; Macalik, Lucyna; Peksa, Paulina; Sieradzki, Adam","Phase transition in the extreme: a cubic-to-triclinic symmetry change in dielectrically switchable cyanide perovskites.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15830","15840","10.1039/c9dt03250a","","x-ray","0.71073","MoKα","","0.0493","0.0326","","","0.0616","0.0668","","","","","","1.034","","","","has coordinates","224016","2020-10-21","18:00:00",""
"7701146","7.658","0.0005","7.9048","0.0005","8.3161","0.0006","63.066","0.007","62.396","0.007","62.903","0.006","378.01","0.05","290","0.2","290","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Co K N10 -","- C8 H10 Co K N10 -","- C8 H10 Co K N10 -","1","0.5","","Trzebiatowska, Monika; Gągor, Anna; Macalik, Lucyna; Peksa, Paulina; Sieradzki, Adam","Phase transition in the extreme: a cubic-to-triclinic symmetry change in dielectrically switchable cyanide perovskites.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15830","15840","10.1039/c9dt03250a","","x-ray","0.71073","MoKα","","0.0376","0.0315","","","0.0875","0.0901","","","","","","1.142","","","","has coordinates","224016","2020-10-21","18:00:00",""
"7701147","9.65","0.0019","8.645","0.0017","15.562","0.003","90","","98.62","0.03","90","","1283.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H28 Br6 N4 Pb -","- C10 H28 Br6 N4 Pb -","- C20 H56 Br12 N8 Pb2 -","2","0.5","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","0.7","synchrotron","","0.0847","0.0812","","","0.2503","0.2582","","","","","","1.121","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701148","13.5079","0.0004","14.8779","0.0004","9.2938","0.0003","90","","108.392","0.002","90","","1772.36","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 Br3 N O2 Pb S2 -","- C7 H20 Br3 N O2 Pb S2 -","- C28 H80 Br12 N4 O8 Pb4 S8 -","4","1","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","0.71073","MoKα","","0.0681","0.0437","","","0.1255","0.1552","","","","","","0.633","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701149","26.499","0.005","8.499","0.0017","9.805","0.002","90","","90","","90","","2208.2","0.8","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H24 Br6 N4 Pb -","- C8 H24 Br6 N4 Pb -","- C32 H96 Br24 N16 Pb4 -","4","0.5","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","0.61","synchrotron","","0.1039","0.073","","","0.2521","0.2687","","","","","","1.462","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701150","18.9362","0.0004","8.7005","0.0002","19.8672","0.0004","90","","90","","90","","3273.21","0.12","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H22 Br3 N2 O Pb S -","- C8 H22 Br3 N2 O Pb S -","- C64 H176 Br24 N16 O8 Pb8 S8 -","8","1","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","1.54184","CuKα","","0.0631","0.061","","","0.1797","0.1826","","","","","","1.053","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701151","15.327","0.002","15.327","0.002","33.107","0.007","90","","90","","120","","6735.4","1.9","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C8 H24 Cl12 N4 Pb4 -","- C8 H24 Cl12 N4 Pb4 -","- C72 H216 Cl108 N36 Pb36 -","9","1","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","0.7","synchrotron","","0.0851","0.076","","","0.2414","0.2564","","","","","","1.078","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701152","12.2154","0.001","14.5086","0.0012","14.9325","0.0011","91.171","0.004","109.941","0.003","95.805","0.004","2470.8","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H70 Cl2 Co N2 O4 -","- C52 H70 Cl2 Co N2 O4 -","- C104 H140 Cl4 Co2 N4 O8 -","2","1","","Basu, Debashis; Mazumder, Shivnath; Kpogo, Kenneth K.; Verani, Cláudio N","Influence of nitro substituents on the redox, electronic, and proton reduction catalytic behavior of phenolate-based [N<sub>2</sub>O<sub>3</sub>]-type cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14669","14677","10.1039/c9dt03158h","","x-ray","0.71073","MoKα","","0.053","0.0426","","","0.1084","0.1212","","","","","","1.065","","","","has coordinates","224050","2020-10-21","18:00:00",""
"7701153","13.196","0.002","38.556","0.006","11.3194","0.0016","90","","111.054","0.005","90","","5374.7","1.4","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H79 Co N4 O10 -","- C54 H78 Co N4 O10 -","- C216 H312 Co4 N16 O40 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Kpogo, Kenneth K.; Verani, Cláudio N","Influence of nitro substituents on the redox, electronic, and proton reduction catalytic behavior of phenolate-based [N<sub>2</sub>O<sub>3</sub>]-type cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14669","14677","10.1039/c9dt03158h","","x-ray","0.71073","MoKα","","0.1587","0.0637","","","0.1139","0.1435","","","","","","0.997","","","","has coordinates","224050","2020-10-21","18:00:00",""
"7701154","11.4337","0.0008","12.5296","0.0008","13.21","0.0009","88.368","0.004","66.364","0.003","77.712","0.004","1690.6","0.2","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 Co N8 O10 -","- C33 H29 Co N8 O10 -","- C66 H58 Co2 N16 O20 -","2","1","","Basu, Debashis; Mazumder, Shivnath; Kpogo, Kenneth K.; Verani, Cláudio N","Influence of nitro substituents on the redox, electronic, and proton reduction catalytic behavior of phenolate-based [N<sub>2</sub>O<sub>3</sub>]-type cobalt(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14669","14677","10.1039/c9dt03158h","","x-ray","0.71073","MoKα","","0.1456","0.0648","","","0.1475","0.1733","","","","","","0.962","","","","has coordinates","224050","2020-10-21","18:00:00",""
"7701155","23.9","0.005","10.45","0.002","29.67","0.006","90","","101.9","0.03","90","","7251","3","200","","200","","","","","","","","Research School of Chemistry","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Cl O2 P2 Ru -","- C40 H31 Cl O2 P2 Ru -","- C320 H248 Cl8 O16 P16 Ru8 -","8","1","","Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.","Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link","Dalton Transactions","2019","","","","","10.1039/C9DT03229K","","","0.71073","MoKα","","0.0629","0.0524","","0.148","0.139","0.148","","","","","","1.0134","","","","has coordinates","218331","2020-10-21","18:00:00",""
"7701156","12.434","0.005","13.181","0.005","17.57","0.005","80.94","0.005","71.44","0.005","83.977","0.005","2691.1","1.7","173","","173","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C50 H55 N O P2 Ru S2 Si2 -","- C50 H55 N O P2 Ru S2 Si2 -","- C100 H110 N2 O2 P4 Ru2 S4 Si4 -","2","1","","Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.","Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link","Dalton Transactions","2019","","","","","10.1039/C9DT03229K","","","0.71069","MoKα","","0.0735","0.0654","","0.1925","0.1842","0.1924","","","","","","0.9931","","","","has coordinates","218331","2020-10-21","18:00:00",""
"7701157","12.3","0.003","35.95","0.007","20.73","0.004","90","","102.68","0.03","90","","8943","3","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H98 Cl2 O2 P4 Ru2 Si4 -","- C94 H98 Cl2 O2 P4 Ru2 Si4 -","- C376 H392 Cl8 O8 P16 Ru8 Si16 -","4","1","","Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.","Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link","Dalton Transactions","2019","","","","","10.1039/C9DT03229K","","","0.71073","MoKα","","0.0636","0.0446","","0.1201","0.102","0.1201","","","","","","0.9246","","","","has coordinates","218331","2020-10-21","18:00:00",""
"7701158","27.361","0.005","10.355","0.005","29.764","0.005","90","","112.705","0.005","90","","7779","4","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H64 Cl6 O4 P4 Ru2 -","- C82 H64 Cl6 O4 P4 Ru2 -","- C328 H256 Cl24 O16 P16 Ru8 -","4","1","","Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.","Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link","Dalton Transactions","2019","","","","","10.1039/C9DT03229K","","","0.71069","MoKα","","0.1026","0.0772","","0.23","0.1937","0.23","","","","","","0.9676","","","","has coordinates","218331","2020-10-21","18:00:00",""
"7701159","9.997","0.005","13.079","0.005","16.586","0.005","100.126","0.005","91.282","0.005","93.454","0.005","2129.8","1.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 Cl2 O2 P2 Ru S -","- C48 H40 Cl2 O2 P2 Ru S -","- C96 H80 Cl4 O4 P4 Ru2 S2 -","2","1","","Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.","Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link","Dalton Transactions","2019","","","","","10.1039/C9DT03229K","","","0.71069","MoKα","","0.071","0.0436","","","0.096","0.1091","","","","","","1.018","","","","has coordinates","218331","2020-10-21","18:00:00",""
"7701160","9.97","0.002","19.64","0.004","19.77","0.004","90","","94.55","0.03","90","","3859","1.4","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H39 Cl O2 P2 Ru Si -","- C43 H39 Cl O2 P2 Ru Si -","- C172 H156 Cl4 O8 P8 Ru4 Si4 -","4","1","","Hill, Anthony; Bartlett, Michael J.; Sharma, Manab; Smith, Matthew K.; Ward, Jas S.","Hydrogenating an Organometallic Carbon Chain: Buten-yn-diyl (CH=CHC\τb C) as a Missing Link","Dalton Transactions","2019","","","","","10.1039/C9DT03229K","","","0.71073","MoKα","","0.0417","0.0369","","0.0925","0.0896","0.0925","","","","","","0.9335","","","","has coordinates","218331","2020-10-21","18:00:00",""
"7701161","40.663","0.005","8.0101","0.0009","15.645","0.002","90","","93.812","0.004","90","","5084.5","1.1","110","2","109.99","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 B -","- C32 H31 B -","- C256 H248 B8 -","8","1","","Teerasarunyanon, Ratanakorn; Wilkins, Lewis C.; Park, Gyeongjin; Gabbaï, François P","Synthesis, structure and anion binding properties of 1,8-bis(dimesitylboryl)anthracene and its monoborylated analog.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14777","14782","10.1039/c9dt03238j","","","0.71073","MoKα","","0.1254","0.0959","","","0.2189","0.233","","","","","","1.214","","","","has coordinates","224052","2020-10-21","18:00:00",""
"7701162","15.5053","0.0018","19.059","0.002","15.89","0.003","90","","113.204","0.003","90","","4315.9","1.1","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 B2 -","- C50 H52 B2 -","- C200 H208 B8 -","4","0.5","","Teerasarunyanon, Ratanakorn; Wilkins, Lewis C.; Park, Gyeongjin; Gabbaï, François P","Synthesis, structure and anion binding properties of 1,8-bis(dimesitylboryl)anthracene and its monoborylated analog.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14777","14782","10.1039/c9dt03238j","","","0.71073","MoKα","","0.1248","0.0834","","","0.199","0.2239","","","","","","1.055","","","","has coordinates","224052","2020-10-21","18:00:00",""
"7701163","7.0423","0.0003","19.1127","0.001","13.412","0.0007","90","","103.477","0.0016","90","","1755.51","0.15","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag2 I3 N5 O -","- C12 H12 Ag2 I3 N5 O -","- C48 H48 Ag8 I12 N20 O4 -","4","1","","Yang, Lili; Zhou, Jian; An, Litao; Cao, Shumei; Hu, Jun","A unique formyl iodoargentate exhibiting luminescent and photocurrent response properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15762","15766","10.1039/c9dt02828e","","","0.71073","MoKα","","0.0631","0.0418","","","0.0995","0.114","","","","","","1.029","","","","has coordinates","224028","2020-10-21","18:00:00",""
"7701164","15.149","0.004","7.717","0.002","18.928","0.007","90","","90","","90","","2212.8","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H13 K N O9 V -","- C6 H13 K N O9 V -","- C48 H104 K8 N8 O72 V8 -","8","1","","Chen, Fanghui; Gao, Zhiguo; You, Chaoqun; Wu, Hongshuai; Li, Yaojia; He, Xiaotong; Zhang, Yuchen; Zhang, Yaan; Sun, Baiwang","Three peroxidovanadium(v) compounds mediated by transition metal cations for enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15160","15169","10.1039/c9dt03378e","","","0.71073","MoKα","","0.1461","0.0801","","","0.1582","0.1909","","","","","","1.032","","","","has coordinates","224263","2020-10-21","18:00:00",""
"7701165","7.036","0.0005","5.8774","0.0005","12.6598","0.0009","90","","90.168","0.007","90","","523.52","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 K N2 O7 V -","- C18 K N2 O7 V -","- C36 K2 N4 O14 V2 -","2","0.5","","Chen, Fanghui; Gao, Zhiguo; You, Chaoqun; Wu, Hongshuai; Li, Yaojia; He, Xiaotong; Zhang, Yuchen; Zhang, Yaan; Sun, Baiwang","Three peroxidovanadium(v) compounds mediated by transition metal cations for enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15160","15169","10.1039/c9dt03378e","","x-ray","0.71073","MoKα","","0.1561","0.1476","","","0.3932","0.3987","","","","","","1.2","","","","has coordinates","224263","2020-10-21","18:00:00",""
"7701166","21.717","0.004","7.836","0.0016","15.792","0.003","90","","108.9","0.03","90","","2542.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 K2 N4 O18 V2 -","- C12 H17 K2 N4 O18 V2 -","- C48 H68 K8 N16 O72 V8 -","4","1","","Chen, Fanghui; Gao, Zhiguo; You, Chaoqun; Wu, Hongshuai; Li, Yaojia; He, Xiaotong; Zhang, Yuchen; Zhang, Yaan; Sun, Baiwang","Three peroxidovanadium(v) compounds mediated by transition metal cations for enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15160","15169","10.1039/c9dt03378e","","","0.71073","MoKα","","0.1081","0.0753","","","0.1826","0.2037","","","","","","1.068","","","","has coordinates","224263","2020-10-21","18:00:00",""
"7701167","30.694","0.0017","13.081","0.0007","8.9136","0.0005","90","","90","","90","","3578.9","0.3","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H21 Cl3 F10 Ir N4 O P -","- C36 H21 Cl3 F10 Ir N4 O P -","- C144 H84 Cl12 F40 Ir4 N16 O4 P4 -","4","1","","Rui, Kai; Wang, Zhong-Ye; Yuan, Qin-Zhen; Cao, Deng-Ke","Solvent-driven luminescence modulation/switching in an iridium(iii) complex containing an aldehyde group.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15114","15120","10.1039/c9dt03239h","","","0.71073","MoKα","","0.0347","0.03","","","0.0814","0.0873","","","","","","1.014","","","","has coordinates","224258","2020-10-21","18:00:00",""
"7701168","15.7927","0.0004","14.8334","0.0003","13.6445","0.0003","90","","95.503","0.002","90","","3181.62","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Co O10 -","- C34 H41 Co O10 -","- C136 H164 Co4 O40 -","4","1","","Delorme, Marion; Punter, Alexander; Oliveira, Raquel; Aubert, Corinne; Carissan, Yannick; Parrain, Jean-Luc; Amatore, Muriel; Nava, Paola; Commeiras, Laurent","When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt(iii)-complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15767","15771","10.1039/c9dt03311d","","x-ray","0.71073","MoKα","","0.0619","0.0463","","","0.1212","0.1346","","","","","","1.021","","","","has coordinates,has disorder","224025","2020-10-21","18:00:00",""
"7701169","14.17346","0.00017","15.23444","0.00016","11.72199","0.00015","90","","105.297","0.0013","90","","2441.39","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Co O6 -","- C28 H33 Co O6 -","- C112 H132 Co4 O24 -","4","1","","Delorme, Marion; Punter, Alexander; Oliveira, Raquel; Aubert, Corinne; Carissan, Yannick; Parrain, Jean-Luc; Amatore, Muriel; Nava, Paola; Commeiras, Laurent","When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt(iii)-complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15767","15771","10.1039/c9dt03311d","","x-ray","1.54184","CuKα","","0.0336","0.0309","","","0.0812","0.0829","","","","","","1.054","","","","has coordinates","224025","2020-10-21","18:00:00",""
"7701170","9.07112","0.00012","14.17053","0.00018","26.6353","0.0004","90","","93.3497","0.0012","90","","3417.92","0.08","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Co N2 O8 S -","- C36 H41 Co N2 O8 S -","- C144 H164 Co4 N8 O32 S4 -","4","1","","Delorme, Marion; Punter, Alexander; Oliveira, Raquel; Aubert, Corinne; Carissan, Yannick; Parrain, Jean-Luc; Amatore, Muriel; Nava, Paola; Commeiras, Laurent","When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt(iii)-complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15767","15771","10.1039/c9dt03311d","","x-ray","1.54184","CuKα","","0.0447","0.0397","","","0.1085","0.113","","","","","","1.025","","","","has coordinates","224025","2020-10-21","18:00:00",""
"7701171","12.7863","0.0005","16.4081","0.0006","27.3047","0.0012","90","","97.645","0.004","90","","5677.6","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 N2 O16 S2 -","- C58 H66 N2 O16 S2 -","- C232 H264 N8 O64 S8 -","4","1","","Delorme, Marion; Punter, Alexander; Oliveira, Raquel; Aubert, Corinne; Carissan, Yannick; Parrain, Jean-Luc; Amatore, Muriel; Nava, Paola; Commeiras, Laurent","When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt(iii)-complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15767","15771","10.1039/c9dt03311d","","x-ray","0.71073","MoKα","","0.128","0.0791","","","0.1878","0.2152","","","","","","1.032","","","","has coordinates,has disorder","224025","2020-10-21","18:00:00",""
"7701172","10.3435","0.0003","10.6128","0.0003","14.9254","0.0004","74.056","0.003","81.568","0.003","82.695","0.003","1551.84","0.08","149.8","0.2","149.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Mo O7 P Re -","- C30 H34 Mo O7 P Re -","- C60 H68 Mo2 O14 P2 Re2 -","2","1","","Alvarez, M. Angeles; Burgos, Mónica; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, Patricia","One-step synthesis and P-H bond cleavage reactions of the phosphanyl complex syn-[MoCp{PH(2,4,6-C<sub>6</sub>H<sub>2</sub><sup>t</sup>Bu<sub>3</sub>)}(CO)<sub>2</sub>] to give heterometallic phosphinidene-bridged derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14585","14589","10.1039/c9dt02382h","","x-ray","1.54184","CuKα","","0.0276","0.0234","","","0.0621","0.0763","","","","","","1.126","","","","has coordinates","224041","2020-10-21","18:00:00",""
"7701173","20.5112","0.0008","11.5599","0.0004","17.7631","0.0006","90","","108.197","0.001","90","","4001.1","0.2","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl3 N2 Ti -","- C40 H62 Cl3 N2 Ti -","- C160 H248 Cl12 N8 Ti4 -","4","1","","Ma, Wangyang; Zhang, Jing-Xuan; Lin, Zhenyang; Tilley, T. Don; Ye, Qing","Synthesis, structure and DFT calculations of mononuclear cyclic (alkyl)(amino) carbene supported titanium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14962","14965","10.1039/c9dt03342d","","","0.71073","MoKα","","0.0687","0.0436","","","0.0877","0.0989","","","","","","1.03","","","","has coordinates","224245","2020-10-21","18:00:00",""
"7701174","13.2202","0.0018","17.655","0.002","17.168","0.003","90","","108.957","0.005","90","","3789.7","0.9","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl2 N2 Ti -","- C40 H62 Cl2 N2 Ti -","- C160 H248 Cl8 N8 Ti4 -","4","1","","Ma, Wangyang; Zhang, Jing-Xuan; Lin, Zhenyang; Tilley, T. Don; Ye, Qing","Synthesis, structure and DFT calculations of mononuclear cyclic (alkyl)(amino) carbene supported titanium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14962","14965","10.1039/c9dt03342d","","","0.71073","MoKα","","0.0635","0.0461","","","0.1102","0.1249","","","","","","1.059","","","","has coordinates","224245","2020-10-21","18:00:00",""
"7701175","7.7302","0.0004","9.2879","0.0005","10.2517","0.0005","94.782","0.004","94.31","0.004","108.849","0.004","690.07","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30aBr]","","","- C26 H30 Br2 Cu2 N4 O6 -","- C26 H30 Br2 Cu2 N4 O6 -","- C26 H30 Br2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.0361","0.0266","","","0.0628","0.0658","","","","","","0.985","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701176","7.6905","0.0004","24.3476","0.0014","7.7833","0.0004","90","","113.207","0.004","90","","1339.46","0.13","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30dBr]","","","- C12 H12 Br Cu N3 O2 -","- C12 H12 Br Cu N3 O2 -","- C48 H48 Br4 Cu4 N12 O8 -","4","1","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.0654","0.0404","","","0.0988","0.1099","","","","","","0.96","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701177","10.5383","0.0006","9.5476","0.0005","17.4636","0.0012","90","","100.791","0.005","90","","1726.04","0.18","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30fBr]","","","- C36 H34 Br2 Cu2 N4 O6 -","- C36 H34 Br2 Cu2 N4 O6 -","- C72 H68 Br4 Cu4 N8 O12 -","2","0.5","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.1115","0.0733","","","0.1886","0.2261","","","","","","1.011","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701178","7.8986","0.0004","8.2689","0.0003","11.3892","0.0004","85.89","0.003","78.823","0.003","81.476","0.003","720.98","0.05","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL37dBr]","","","- C13 H14 Br Cu N3 O2 -","- C13 H14 Br Cu N3 O2 -","- C26 H28 Br2 Cu2 N6 O4 -","2","1","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.0431","0.0296","","","0.0694","0.0741","","","","","","1.034","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701179","8.0566","0.0004","8.4259","0.0004","11.1094","0.0005","75.675","0.004","86.846","0.004","68.045","0.004","677.12","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30iBr]","","","- C24 H26 Br2 Cu2 N4 O6 -","- C24 H26 Br2 Cu2 N4 O6 -","- C24 H26 Br2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71069","MoKα","","0.0332","0.0241","","","0.0534","0.056","","","","","","0.997","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701180","7.9002","0.0003","18.0037","0.0006","11.387","0.0005","90","","94.962","0.004","90","","1613.54","0.11","133","2","133","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[CuL40cBr]","","","- C15 H19 Br Cu N2 O4 -","- C15 H19 Br Cu N2 O4 -","- C60 H76 Br4 Cu4 N8 O16 -","4","1","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.0642","0.043","","","0.1035","0.1137","","","","","","1.037","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701181","8.0351","0.0003","9.683","0.0003","11.4547","0.0004","98.869","0.003","102.321","0.003","104.864","0.003","820.7","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","[CuL38cBr]","","","- C14 H16 Br Cl Cu N2 O4 -","- C14 H16 Br Cl Cu N2 O4 -","- C28 H32 Br2 Cl2 Cu2 N4 O8 -","2","1","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.0504","0.0368","","","0.0925","0.0995","","","","","","1.041","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701182","7.5494","0.0002","8.2358","0.0003","12.3671","0.0004","107","0.003","96.398","0.003","102.191","0.003","706.31","0.04","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL40dBr]","","","- C13 H14 Br Cu N3 O2 -","- C13 H14 Br Cu N3 O2 -","- C26 H28 Br2 Cu2 N6 O4 -","2","1","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.04","0.0272","","","0.0623","0.0659","","","","","","1.046","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701183","7.9933","0.0007","9.2785","0.0011","9.4396","0.001","90.031","0.009","98.575","0.007","111.44","0.008","643.21","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30bBr]","","","- C24 H26 Br2 Cu2 N4 O4 -","- C24 H26 Br2 Cu2 N4 O4 -","- C24 H26 Br2 Cu2 N4 O4 -","1","0.5","","Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit","Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15220","15230","10.1039/c9dt02571e","","","0.71073","MoKα","","0.1116","0.0814","","","0.2254","0.2878","","","","","","1.064","","","","has coordinates","224239","2020-10-21","18:00:00",""
"7701184","10.7502","0.0002","24.8309","0.0005","11.0537","0.0001","90","","93.362","0.001","90","","2945.56","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl2 N3 Pd -","- C33 H33 Cl2 N3 Pd -","- C132 H132 Cl8 N12 Pd4 -","4","1","","Almallah, Hamzé; Brenner, Eric; Matt, Dominique; Harrowfield, Jack; Jahjah, Mohamad; Hijazi, Akram","Palladium complexes of N-heterocyclic carbenes displaying an unsymmetrical N-alkylfluorenyl/N'-aryl substitution pattern and their behaviour in Suzuki-Miyaura cross coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14516","14529","10.1039/c9dt02948f","","","0.71073","MoKα","","0.0681","0.0468","","","0.0912","0.1028","","","","","","1.085","","","","has coordinates","224563","2020-10-21","18:00:00",""
"7701185","10.7007","0.0004","14.7879","0.0007","17.9151","0.0007","90","","90","","90","","2834.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl2 N3 Pd -","- C32 H31 Cl2 N3 Pd -","- C128 H124 Cl8 N12 Pd4 -","4","1","","Almallah, Hamzé; Brenner, Eric; Matt, Dominique; Harrowfield, Jack; Jahjah, Mohamad; Hijazi, Akram","Palladium complexes of N-heterocyclic carbenes displaying an unsymmetrical N-alkylfluorenyl/N'-aryl substitution pattern and their behaviour in Suzuki-Miyaura cross coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14516","14529","10.1039/c9dt02948f","","","0.71073","MoKα","","0.0371","0.0326","","","0.0668","0.0703","","","","","","1.172","","","","has coordinates","224563","2020-10-21","18:00:00",""
"7701186","22.6496","0.0004","10.2717","0.0002","16.0422","0.0002","90","","104.474","0.001","90","","3613.76","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Cl4 N3 Pd -","- C36 H39 Cl4 N3 Pd -","- C144 H156 Cl16 N12 Pd4 -","4","1","","Almallah, Hamzé; Brenner, Eric; Matt, Dominique; Harrowfield, Jack; Jahjah, Mohamad; Hijazi, Akram","Palladium complexes of N-heterocyclic carbenes displaying an unsymmetrical N-alkylfluorenyl/N'-aryl substitution pattern and their behaviour in Suzuki-Miyaura cross coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14516","14529","10.1039/c9dt02948f","","","0.71073","MoKα","","0.0749","0.0551","","","0.1376","0.1507","","","","","","1.102","","","","has coordinates","224563","2020-10-21","18:00:00",""
"7701187","12.1594","0.0002","19.9702","0.0003","15.1796","0.0003","90","","99.306","0.001","90","","3637.48","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl4 N3 O Pd -","- C37 H41 Cl4 N3 O Pd -","- C148 H164 Cl16 N12 O4 Pd4 -","4","1","","Almallah, Hamzé; Brenner, Eric; Matt, Dominique; Harrowfield, Jack; Jahjah, Mohamad; Hijazi, Akram","Palladium complexes of N-heterocyclic carbenes displaying an unsymmetrical N-alkylfluorenyl/N'-aryl substitution pattern and their behaviour in Suzuki-Miyaura cross coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14516","14529","10.1039/c9dt02948f","","","0.71073","MoKα","","0.0626","0.0426","","","0.1002","0.1218","","","","","","1.161","","","","has coordinates,has disorder","224563","2020-10-21","18:00:00",""
"7701188","24.4833","0.0011","15.2726","0.0007","21.6707","0.0015","90","","119.347","0.001","90","","7063.3","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H31 Cl F3 N3 O3 Pt S -","- C41.5 H31 Cl F3 N3 O3 Pt S -","- C332 H248 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0314","0.0232","","","0.0558","0.0593","","","","","","1.042","","","","has coordinates,has disorder","224566","2020-10-21","18:00:00",""
"7701189","10.0122","0.0009","23.216","0.002","11.0117","0.0011","90","","108.42","0.003","90","","2428.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl2 N2 Pt -","- C28 H20 Cl2 N2 Pt -","- C112 H80 Cl8 N8 Pt4 -","4","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0223","0.0188","","","0.0359","0.0367","","","","","","1.099","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7701190","11.4079","0.0005","12.6215","0.0005","15.1221","0.0006","90","","106.659","0.002","90","","2085.96","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cl2 F2 N2 Pt -","- C23 H16 Cl2 F2 N2 Pt -","- C92 H64 Cl8 F8 N8 Pt4 -","4","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.022","0.0173","","","0.0328","0.0337","","","","","","1.097","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7701191","9.9516","0.0006","11.5955","0.0006","14.6959","0.0009","107.911","0.002","105.371","0.002","96.812","0.002","1518.44","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl2 N2 Pt -","- C31 H26 Cl2 N2 Pt -","- C62 H52 Cl4 N4 Pt2 -","2","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0202","0.0188","","","0.0479","0.0486","","","","","","1.07","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7701192","10.6722","0.0014","13.0588","0.0017","13.3512","0.0016","74.425","0.004","89.412","0.004","69.723","0.004","1674.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H33 Cl F5 N3 O4 Pt S -","- C34 H33 Cl F5 N3 O4 Pt S -","- C68 H66 Cl2 F10 N6 O8 Pt2 S2 -","2","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0241","0.0209","","","0.0487","0.0498","","","","","","1.057","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7701193","12.466","0.0005","13.321","0.0006","13.8989","0.0005","115.767","0.001","105.429","0.001","99.361","0.002","1897.89","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cl N2 Pt S -","- C21 H17 Cl N2 Pt S -","- C84 H68 Cl4 N8 Pt4 S4 -","4","2","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0222","0.0183","","","0.04","0.0411","","","","","","1.061","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7701194","18.1592","0.0016","18.1592","0.0016","13.5259","0.0012","90","","90","","90","","4460.3","0.7","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H21 Cl N2 Pt -","- C28 H21 Cl N2 Pt -","- C224 H168 Cl8 N16 Pt8 -","8","1","","Vivancos, Ángela; Poveda, Dionisio; Muñoz, Alonso; Moreno, Julia; Bautista, Delia; González-Herrero, Pablo","Selective synthesis, reactivity and luminescence of unsymmetrical bis-cyclometalated Pt(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14367","14382","10.1039/c9dt02431j","","","0.71073","MoKα","","0.0128","0.0115","","","0.0241","0.0243","","","","","","1.078","","","","has coordinates","224566","2020-10-21","18:00:00",""
"7701195","10.7958","0.0005","19.6144","0.001","20.04","0.0011","85.551","0.005","89.809","0.004","76.872","0.004","4119.7","0.4","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H57 F3 Mn N2 O6 P S -","- C40 H57 F3 Mn N2 O6 P S -","- C160 H228 F12 Mn4 N8 O24 P4 S4 -","4","2","","Kurtz, Daniel A.; Dhakal, Badrinath; McDonald, Lauren T.; Nichol, Gary S.; Felton, Greg A. N.","Inter-ligand intramolecular through-space anisotropic shielding in a series of manganese carbonyl phosphorous compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14926","14935","10.1039/c9dt03100f","","x-ray","0.71073","MoKα","","0.1283","0.092","","","0.1981","0.2169","","","","","","1.075","","","","has coordinates,has disorder","224038","2020-10-21","18:00:00",""
"7701196","37.1455","0.001","10.5546","0.0003","20.3195","0.0005","90","","99.524","0.003","90","","7856.6","0.4","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H39 F3 Mn N2 O6 P S -","- C40 H39 F3 Mn N2 O6 P S -","- C320 H312 F24 Mn8 N16 O48 P8 S8 -","8","1","","Kurtz, Daniel A.; Dhakal, Badrinath; McDonald, Lauren T.; Nichol, Gary S.; Felton, Greg A. N.","Inter-ligand intramolecular through-space anisotropic shielding in a series of manganese carbonyl phosphorous compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14926","14935","10.1039/c9dt03100f","","x-ray","0.71073","MoKα","","0.0566","0.0437","","","0.1004","0.1069","","","","","","1.052","","","","has coordinates,has disorder","224038","2020-10-21","18:00:00",""
"7701197","21.876","0.006","20.204","0.005","56.153","0.014","90","","90","","90","","24819","11","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H91 Dy2 N14.5 Na3 O32 -","- C96 H91 Dy2 N14.5 Na3 O32 -","- C768 H728 Dy16 N116 Na24 O256 -","8","1","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","","0.71073","MoKα","","0.0636","0.0593","","","0.131","0.1328","","","","","","1.095","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701198","16.5304","0.0004","21.5083","0.0005","34.7813","0.0007","90","","90","","90","","12366.2","0.5","153.15","","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122 H117 Dy4 N19 O36 -","- C122 H117 Dy4 N19 O36 -","- C488 H468 Dy16 N76 O144 -","4","1","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","","1.54178","CuKα","","0.0417","0.0401","","","0.1051","0.1061","","","","","","1.022","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701199","20.2482","0.0002","21.6632","0.0002","55.8238","0.0006","90","","90","","90","","24486.6","0.4","119.99","0.1","119.99","0.1","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C203 H213 Cl2 Dy4 N34 Na6 O72 -","- C203 H213 Cl2 Dy4 N34 Na6 O72 -","- C812 H852 Cl8 Dy16 N136 Na24 O288 -","4","0.5","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","x-ray","1.54184","CuKα","","0.0479","0.0445","","","0.1221","0.1243","","","","","","1.064","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701200","16.4632","0.0002","21.676","0.0004","34.76","0.0006","90","","90","","90","","12404.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C121 H116 Dy4 N19 O39 -","- C121 H116 Dy4 N19 O39 -","- C484 H464 Dy16 N76 O156 -","4","1","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","x-ray","0.71073","MoKα","","0.0667","0.0521","","","0.1248","0.1355","","","","","","1.029","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701201","11.4027","0.0017","11.6827","0.0018","12.1997","0.0019","103.668","0.003","94.851","0.002","101.453","0.002","1532.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 P Sn -","- C37 H31 P Sn -","- C74 H62 P2 Sn2 -","2","1","","Salazar-Díaz, J Jacobo; Muñoz-Hernández, Miguel A; Rufino-Felipe, Ernesto; Flores-Alamo, Marcos; Ramírez-Solís, Alejandro; Montiel-Palma, Virginia","Bi- and tridentate stannylphosphines and their coordination to low-valent platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15896","15905","10.1039/c9dt03317c","","","0.71073","MoKα","","0.0465","0.0439","","","0.0998","0.1016","","","","","","1.017","","","","has coordinates","224034","2020-10-21","18:00:00",""
"7701202","9.9322","0.0002","28.0658","0.0003","28.8753","0.0006","90","","120.936","0.003","90","","6904.1","0.3","99.99","0.11","99.99","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 P2 Pt Sn -","- C40 H40 P2 Pt Sn -","- C320 H320 P16 Pt8 Sn8 -","8","2","","Salazar-Díaz, J Jacobo; Muñoz-Hernández, Miguel A; Rufino-Felipe, Ernesto; Flores-Alamo, Marcos; Ramírez-Solís, Alejandro; Montiel-Palma, Virginia","Bi- and tridentate stannylphosphines and their coordination to low-valent platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15896","15905","10.1039/c9dt03317c","","x-ray","0.71073","MoKα","","0.0415","0.0333","","","0.0768","0.0807","","","","","","1.057","","","","has coordinates","224034","2020-10-21","18:00:00",""
"7701203","10.1448","0.0003","12.7959","0.0004","17.5669","0.0005","93.852","0.002","99.343","0.002","112.307","0.003","2060.92","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 P2 Pt Sn -","- C50 H42 P2 Pt Sn -","- C100 H84 P4 Pt2 Sn2 -","2","1","","Salazar-Díaz, J Jacobo; Muñoz-Hernández, Miguel A; Rufino-Felipe, Ernesto; Flores-Alamo, Marcos; Ramírez-Solís, Alejandro; Montiel-Palma, Virginia","Bi- and tridentate stannylphosphines and their coordination to low-valent platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15896","15905","10.1039/c9dt03317c","","x-ray","0.71073","MoKα","","0.0413","0.0341","","","0.0801","0.0854","","","","","","1.029","","","","has coordinates","224034","2020-10-21","18:00:00",""
"7701204","10.12","0.0006","13.4335","0.0011","16.6547","0.0013","87.478","0.007","80.408","0.006","76.369","0.006","2169.6","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H46 P2 Pt Sn -","- C55 H46 P2 Pt Sn -","- C110 H92 P4 Pt2 Sn2 -","2","1","","Salazar-Díaz, J Jacobo; Muñoz-Hernández, Miguel A; Rufino-Felipe, Ernesto; Flores-Alamo, Marcos; Ramírez-Solís, Alejandro; Montiel-Palma, Virginia","Bi- and tridentate stannylphosphines and their coordination to low-valent platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15896","15905","10.1039/c9dt03317c","","","0.71073","MoKα","","0.0893","0.0483","","","0.0607","0.0721","","","","","","0.864","","","","has coordinates","224034","2020-10-21","18:00:00",""
"7701205","11.0985","0.0007","11.5385","0.0005","16.358","0.0011","100.25","0.005","103.764","0.006","92.688","0.004","1993.4","0.2","100.46","0.1","100.46","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H42 P2 Sn -","- C50 H42 P2 Sn -","- C100 H84 P4 Sn2 -","2","1","","Salazar-Díaz, J Jacobo; Muñoz-Hernández, Miguel A; Rufino-Felipe, Ernesto; Flores-Alamo, Marcos; Ramírez-Solís, Alejandro; Montiel-Palma, Virginia","Bi- and tridentate stannylphosphines and their coordination to low-valent platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15896","15905","10.1039/c9dt03317c","","x-ray","0.71073","MoKα","","0.0952","0.0779","","","0.1824","0.1987","","","","","","1.066","","","","has coordinates","224034","2020-10-21","18:00:00",""
"7701206","10.7778","0.0003","10.9555","0.0003","19.6759","0.0004","77.307","0.002","85.848","0.002","62.788","0.002","2014.57","0.1","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 P Sn -","- C22 H25 P Sn -","- C88 H100 P4 Sn4 -","4","2","","Salazar-Díaz, J Jacobo; Muñoz-Hernández, Miguel A; Rufino-Felipe, Ernesto; Flores-Alamo, Marcos; Ramírez-Solís, Alejandro; Montiel-Palma, Virginia","Bi- and tridentate stannylphosphines and their coordination to low-valent platinum.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15896","15905","10.1039/c9dt03317c","","x-ray","0.71073","MoKα","","0.0314","0.0255","","","0.0531","0.0558","","","","","","1.026","","","","has coordinates","224034","2020-10-21","18:00:00",""
"7701207","10.105","0.002","13.333","0.003","13.724","0.003","90.46","0.03","93.7","0.03","91.07","0.03","1844.8","0.7","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 Fe N2 P Si4 -","- C30 H51 Fe N2 P Si4 -","- C60 H102 Fe2 N4 P2 Si8 -","2","1","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0481","0.0316","","","0.0745","0.0782","","","","","","0.904","","","","has coordinates,has disorder","223884","2020-10-21","18:00:00",""
"7701208","11.0457","0.0003","34.23","0.0013","10.687","0.0003","90","","90","","90","","4040.7","0.2","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H41 Fe N3 Si4 -","- C17 H41 Fe N3 Si4 -","- C102 H246 Fe6 N18 Si24 -","6","1.5","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0515","0.0438","","","0.1079","0.1143","","","","","","1.01","","","","has coordinates","223884","2020-10-21","18:00:00",""
"7701209","12.179","0.002","15.406","0.003","20.294","0.004","90","","96.63","0.03","90","","3782.3","1.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 Fe N2 O P Si4 -","- C30 H51 Fe N2 O P Si4 -","- C120 H204 Fe4 N8 O4 P4 Si16 -","4","1","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0698","0.0431","","","0.1083","0.1167","","","","","","0.99","","","","has coordinates,has disorder","223884","2020-10-21","18:00:00",""
"7701210","18.316","0.004","10.599","0.002","14.313","0.003","90","","90","","90","","2778.6","1","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H45 Fe N2 P Si4 -","- C15 H45 Fe N2 P Si4 -","- C60 H180 Fe4 N8 P4 Si16 -","4","1","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0746","0.0393","","","0.0811","0.0913","","","","","","0.913","","","","has coordinates,has disorder","223884","2020-10-21","18:00:00",""
"7701211","10.0844","0.0005","13.4794","0.0006","13.8294","0.0007","90.654","0.004","93.729","0.004","91.626","0.004","1874.95","0.16","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 As Fe N2 Si4 -","- C30 H51 As Fe N2 Si4 -","- C60 H102 As2 Fe2 N4 Si8 -","2","1","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0401","0.0328","","","0.084","0.0871","","","","","","1.012","","","","has coordinates,has disorder","223884","2020-10-21","18:00:00",""
"7701212","9.2325","0.0002","26.6707","0.0004","33.1426","0.0006","68.569","0.002","89.805","0.002","88.221","0.001","7592.7","0.3","150.01","0.15","150.01","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C21 H40 N O2 P2 Rh -","- C21 H40 N O2 P2 Rh -","- C252 H480 N12 O24 P24 Rh12 -","12","6","","Spearing-Ewyn, E Anastasia K; Beattie, Nicholas A.; Colebatch, Annie L.; Martinez-Martinez, Antonio J; Docker, Andrew; Boyd, Timothy M.; Baillie, Gregg; Reed, Rachel; Macgregor, Stuart A.; Weller, Andrew S.","The role of neutral Rh(PONOP)H, free NMe<sub>2</sub>H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η<sup>2</sup>-H<sub>2</sub>)]<sup>+</sup> catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14724","14736","10.1039/c9dt03358k","","x-ray","1.54184","CuKα","","0.0736","0.0592","","","0.1761","0.1893","","","","","","1.086","","","","has coordinates","224044","2020-10-21","18:00:00",""
"7701213","12.667","0.0001","18.7076","0.0002","26.9666","0.0003","90","","94.9435","0.0005","90","","6366.48","0.11","150","","150","","","","","","","","SYN","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 B2 F24 N2 O2 P2 Rh -","- C56 H63 B2 F24 N2 O2 P2 Rh -","- C224 H252 B8 F96 N8 O8 P8 Rh4 -","4","1","","Spearing-Ewyn, E Anastasia K; Beattie, Nicholas A.; Colebatch, Annie L.; Martinez-Martinez, Antonio J; Docker, Andrew; Boyd, Timothy M.; Baillie, Gregg; Reed, Rachel; Macgregor, Stuart A.; Weller, Andrew S.","The role of neutral Rh(PONOP)H, free NMe<sub>2</sub>H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η<sup>2</sup>-H<sub>2</sub>)]<sup>+</sup> catalyst.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14724","14736","10.1039/c9dt03358k","","","0.71073","MoKα","","0.0711","0.0501","","0.1348","0.1103","0.1348","","","","","","0.9179","","","","has coordinates,has disorder","224044","2020-10-21","18:00:00",""
"7701214","15.6946","0.0006","15.8484","0.0008","21.611","0.001","104.839","0.004","111.072","0.004","98.298","0.003","4679.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","tris-(3-chloropyridyl)(methyl(cyclotriguaiacylenyl)methylbenzimidazol-2-ylidene)palladium(II) iodide pentane dichloromethane clathrate","","- C76.5 H90 Cl4 I6 N9 O8.5 Pd3 -","- C76.5 H83 Cl4 I6 N9 O8.5 Pd3 -","- C153 H166 Cl8 I12 N18 O17 Pd6 -","2","1","","Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J.","Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14687","14695","10.1039/c9dt03400e","","x-ray","1.54184","CuKα","","0.0707","0.0533","","","0.138","0.1505","","","","","","1.019","","","","has coordinates,has disorder","224053","2020-10-21","18:00:00",""
"7701215","7.4847","0.0009","16.4088","0.0017","22.788","0.003","75.41","0.011","80.946","0.012","78.773","0.01","2639.3","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","tris-methyl(methylbenzimidazol-1-yl)cyclotriguaiacylenyl hexafluorophosphate","","- C51 H51 F18 N6 O6 P3 -","- C51 H51 F18 N6 O6 P3 -","- C102 H102 F36 N12 O12 P6 -","2","1","","Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J.","Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14687","14695","10.1039/c9dt03400e","","","0.6889","synchrotron","","0.2239","0.1131","","","0.2906","0.338","","","","","","0.912","","","","has coordinates,has disorder","224053","2020-10-21","18:00:00",""
"7701216","13.617","0.0005","10.99476","0.00003","15.82037","0.00005","90","","93.4572","0.0003","90","","2364.25","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trans-(3-chloropyridyl)-1-(2-methoxyphenyoxy)methyl-3-methylbenzimidazol-2-ylidene palladium(II) iodide","","- C21 H20 Cl I2 N3 O2 Pd -","- C21 H20 Cl I2 N3 O2 Pd -","- C84 H80 Cl4 I8 N12 O8 Pd4 -","4","1","","Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J.","Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14687","14695","10.1039/c9dt03400e","","","0.6889","synchrotron","","0.0189","0.0181","","","0.0438","0.0443","","","","","","1.049","","","","has coordinates","224053","2020-10-21","18:00:00",""
"7701217","9.8101","0.0001","11.6994","0.0001","14.6364","0.0001","83.317","0.001","83.019","0.001","74.051","0.001","1597.14","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 I2 N4 O4 -","- C32 H34 I2 N4 O4 -","- C64 H68 I4 N8 O8 -","2","1","","Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J.","Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14687","14695","10.1039/c9dt03400e","","","0.6889","synchrotron","","0.0314","0.0295","","","0.0843","0.0861","","","","","","1.056","","","","has coordinates","224053","2020-10-21","18:00:00",""
"7701218","18.4409","0.0005","21.9443","0.0008","23.7505","0.0008","99.36","0.003","97.234","0.003","103.156","0.003","9100.6","0.5","120.1","0.4","120.1","0.4","","","","","","","","7","P -1","-P 1","2","","tris-(3-chloropyridyl)(methyl(cyclotriguaiacylenyl)methylbenzimidazol-2-ylidene)palladium(II) iodide dioxane clathrate","","- C154 H162 Cl6 I12 N18 O23 Pd6 -","- C154 H162 Cl6 I12 N18 O23 Pd6 -","- C308 H324 Cl12 I24 N36 O46 Pd12 -","2","1","","Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J.","Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14687","14695","10.1039/c9dt03400e","","x-ray","1.54184","CuKα","","0.1618","0.0805","","","0.1836","0.233","","","","","","1.018","","","","has coordinates,has disorder","224053","2020-10-21","18:00:00",""
"7701219","11.0243","0.0001","14.5623","0.0002","35.8034","0.0005","90","","98.441","0.001","90","","5685.58","0.12","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-(3-chloropyridyl)-1-(2-methoxyphenyoxy)methyl-3-benzyllbenzimidazol-2-ylidene palladium(II) iodide","","- C54 H48 Cl2 I4 N6 O4 Pd2 -","- C54 H48 Cl2 I4 N6 O4 Pd2 -","- C216 H192 Cl8 I16 N24 O16 Pd8 -","4","1","","Fowler, Jonathan M.; Britton, Edward; Pask, Christopher M.; Willans, Charlotte E.; Hardie, Michaele J.","Cyclotriveratrylene-tethered trinuclear palladium(ii)-NHC complexes; reversal of site selectivity in Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14687","14695","10.1039/c9dt03400e","","","0.6889","synchrotron","","0.0772","0.0521","","","0.1476","0.1574","","","","","","1.044","","","","has coordinates","224053","2020-10-21","18:00:00",""
"7701220","11.485","0.0006","15.4909","0.0009","28.1342","0.0016","90","","95.484","0.002","90","","4982.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H110 Co3 N22 O44 -","- C80 H110 Co3 N22 O44 -","- C160 H220 Co6 N44 O88 -","2","0.5","","Feng, Lu; Zhou, Min; Ye, Fan; Chen, Chang; Hou, Haobo","Water adsorption and proton conduction of a cobalt(ii) complex assembled by triazine-based polycarboxylate.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15192","15197","10.1039/c9dt03038g","","","0.71073","MoKα","","0.1094","0.0573","","","0.134","0.1524","","","","","","1.042","","","","has coordinates","224254","2020-10-21","18:00:00",""
"7701221","8.2413","0.0003","9.891","0.0003","11.4287","0.0003","105.361","0.003","104.778","0.003","110.456","0.003","776.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(2,6-Dichlorophenyl)diphenylphosphane","","- C18 H13 Cl2 P -","- C18 H13 Cl2 P -","- C36 H26 Cl4 P2 -","2","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54178","CuKα","","0.0299","0.0289","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","224262","2020-10-21","18:00:00",""
"7701222","10.2413","0.0001","22.4781","0.0003","17.7231","0.0002","90","","94.459","0.001","90","","4067.6","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide 2-chloroform solvate","","- C40 H33 Cl6 O9 P -","- C40.0003 H33.0003 Cl6.0009 O9 P -","- C160.001 H132.001 Cl24.0036 O36 P4 -","4","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","0.71073","MoKα","","0.0639","0.0474","","","0.1122","0.1219","","","","","","1.035","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701223","36.1084","0.0004","12.0821","0.0001","15.1558","0.0002","90","","99.44","0.001","90","","6522.41","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide","","- C38 H31 O9 P -","- C38 H31 O9 P -","- C304 H248 O72 P8 -","8","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54178","CuKα","","0.0421","0.0381","","","0.0937","0.098","","","","","","1.029","","","","has coordinates","224262","2020-10-21","18:00:00",""
"7701224","10.8386","0.0004","11.5955","0.0005","11.7352","0.0004","100.68","0.004","109.425","0.003","103.752","0.003","1293.55","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)dimethylphosphane sulfide","","- C28 H27 O8 P S -","- C28 H27 O8 P S -","- C56 H54 O16 P2 S2 -","2","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","0.71073","MoKα","","0.1034","0.0654","","","0.159","0.1787","","","","","","1.042","","","","has coordinates","224262","2020-10-21","18:00:00",""
"7701225","10.5051","0.0002","12.1756","0.0002","12.9793","0.0003","66.318","0.001","88.311","0.001","82.681","0.001","1507.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)dimethylphosphane oxide 1.5-ethanol solvate","","- C31 H36 O10.5 P -","- C31 H36 O10.5 P -","- C62 H72 O21 P2 -","2","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","0.71073","MoKα","","0.0425","0.0382","","","0.1043","0.1081","","","","","","1.038","","","","has coordinates","224262","2020-10-21","18:00:00",""
"7701226","8.2514","0.0004","11.6965","0.0005","17.6863","0.0006","101.701","0.003","97.017","0.003","102.97","0.004","1603.49","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide","","- C38 H31 O9 P -","- C38 H31 O9 P -","- C76 H62 O18 P2 -","2","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54184","CuKα","","0.051","0.045","","","0.1206","0.1275","","","","","","1.033","","","","has coordinates","224262","2020-10-21","18:00:00",""
"7701227","10.6082","0.0004","12.4315","0.0004","12.9377","0.0005","67.364","0.003","88.56","0.003","81.914","0.003","1558.3","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diethylphosphane oxide deuterotrichloromethane solvate","","- C31 H31 Cl3 D O9 P -","- C30.9999 H31 Cl2.9997 D0.9999 O9 P -","- C61.9998 H62 Cl5.9994 D1.9998 O18 P2 -","2","1","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","0.71073","MoKα","","0.0473","0.04","","","0.1057","0.1108","","","","","","1.036","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701228","25.5448","0.0004","25.5448","0.0004","21.0016","0.0004","90","","90","","120","","11868.3","0.3","100","2","100","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","UHM-80","","","- C37 H30 Mg2 N O14.57 P -","- C37 H30 Mg2 N O14.57 P -","- C333 H270 Mg18 N9 O131.13 P9 -","9","0.5","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54184","CuKα","","0.0844","0.0785","","","0.1908","0.1975","","","","","","1.093","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701229","15.7544","0.0002","20.0444","0.0002","42.0915","0.0005","90","","90","","90","","13292","0.3","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","UHM-70","","","- C110 H91 Cd4 N4 O25 P3 -","- C110 H91 Cd4 N4 O25 P3 -","- C440 H364 Cd16 N16 O100 P12 -","4","0.5","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54184","CuKα","","0.0839","0.077","","","0.2081","0.2141","","","","","","1.049","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701230","10.0692","0.0002","14.1456","0.0004","22.7621","0.0006","84.946","0.002","89.978","0.002","83.828","0.002","3210.66","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane","","- C38 H31 O8 P -","- C38 H31 O8 P -","- C152 H124 O32 P4 -","4","2","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","0.71073","MoKα","","0.0988","0.0732","","","0.1677","0.1809","","","","","","1.1","","","","has coordinates","224262","2020-10-21","18:00:00",""
"7701231","18.642","0.0004","25.2812","0.0004","33.3107","0.0006","90","","90","","90","","15699.1","0.5","100","2","100","2","","","","","","","","7","I m m m","-I 2 2","71","UHM-63","","","- C204.94 H117.76 Cl0.47 Cu12 N0.47 O66.53 P6 -","- C204.936 H117.744 Cl0.47 Cu12 N0.468 O66.53 P6 -","- C409.872 H235.488 Cl0.94 Cu24 N0.936 O133.06 P12 -","2","0.125","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54184","CuKα","","0.1552","0.1168","","","0.3273","0.3726","","","","","","1.209","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701232","18.3318","0.0004","25.8343","0.0005","33.4448","0.0006","90","","90","","90","","15839.1","0.5","100","2","100","2","","","","","","","","7","I m m m","-I 2 2","71","UHM-62","","","- C158 H122 Cl Cu12 N O65 P6 -","- C158 H122 Cl Cu12 N O65 P6 -","- C316 H244 Cl2 Cu24 N2 O130 P12 -","2","0.125","","Stein, Timo; Hoffmann, Frank; Fröba, Michael","A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15127","15135","10.1039/c9dt03044a","","x-ray","1.54178","CuKα","","0.0727","0.0625","","","0.1937","0.2037","","","","","","1.065","","","","has coordinates,has disorder","224262","2020-10-21","18:00:00",""
"7701233","6.041","0.0004","10.109","0.0008","15.3272","0.0009","107.51","0.006","90.986","0.005","106.051","0.007","852.68","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O9 Tb -","- C14 H11 N O9 Tb -","- C28 H22 N2 O18 Tb2 -","2","1","","Zhan, Zhiying; Jia, Yuejiao; Li, Donghua; Zhang, Xiaolei; Hu, Ming","A water-stable terbium-MOF sensor for the selective, sensitive, and recyclable detection of Al<sup>3+</sup> and CO<sub>3</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15255","15262","10.1039/c9dt03318a","","","1.54184","CuKα","","0.0638","0.0562","","","0.1465","0.1529","","","","","","1.066","","","","has coordinates,has disorder","224255","2020-10-21","18:00:00",""
"7701234","9.8035","0.0015","9.9473","0.0016","13.347","0.002","84.524","0.003","79.16","0.003","64.263","0.003","1151.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cd3 Cl12 N12 -","- C36 H30 Cd3 Cl12 N12 -","- C36 H30 Cd3 Cl12 N12 -","1","0.5","","Hao, Pengfei; Guo, Chunyu; shen, junju; Fu, Yunlong","A novel photochromic hybrid containing trinuclear [Cd3Cl12]6- clusters and protonated tripyridyl-triazines","Dalton Transactions","2019","","","","","10.1039/C9DT03494C","","","0.71073","MoKα","","0.025","0.0228","","","0.0587","0.0598","","","","","","1.087","","","","has coordinates","218842","2020-10-21","18:00:00",""
"7701235","9.819","0.004","9.94","0.004","13.353","0.006","84.328","0.008","79.004","0.007","64.141","0.007","1151.1","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cd3 Cl12 N12 -","- C36 H30 Cd3 Cl12 N12 -","- C36 H30 Cd3 Cl12 N12 -","1","0.5","","Hao, Pengfei; Guo, Chunyu; shen, junju; Fu, Yunlong","A novel photochromic hybrid containing trinuclear [Cd3Cl12]6- clusters and protonated tripyridyl-triazines","Dalton Transactions","2019","","","","","10.1039/C9DT03494C","","","0.71073","MoKα","","0.0275","0.0264","","","0.066","0.0666","","","","","","1.12","","","","has coordinates","218842","2020-10-21","18:00:00",""
"7701236","5.74507","0.00008","5.74507","0.00008","5.42138","0.00011","90","","90","","90","","178.937","0.005","293","","293","","","","101.3","","","","solid state reaction","3","P 4/n m m :1","P 4ab 2ab -1ab","129","europium platinum phosphide","europium platinum phosphide","","- Eu P Pt3 -","- Eu P Pt3 -","- Eu2 P2 Pt6 -","2","0.125","","Plokhikh, Igor V.; Khan, Nazir; Tsirlin, Alexander A.; Kuznetsov, Alexey N.; Charkin, Dmitri O.; Shevelkov, Andrei V.; Pfitzner, Arno","Synthesis, crystal and electronic structures of Pt-rich phosphides EuPt<sub>3</sub>P and EuPt<sub>6</sub>P<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15272","15282","10.1039/c9dt02845e","powder diffraction","x-ray","0.7093","MoKα","","0.0361","0.034","","0.0326","0.0322","","","","1.97","","","","","","","has coordinates","224241","2020-10-21","18:00:00",""
"7701237","8.46032","0.00005","8.46032","0.00005","8.46032","0.00005","90","","90","","90","","605.564","0.006","293","","293","","","","101.3","","","","solid state reaction","3","P a -3","-P 2ac 2ab 3","205","europium platinum phosphide","europium platinum phosphide","","- Eu P2 Pt6 -","- Eu P2 Pt6 -","- Eu4 P8 Pt24 -","4","0.166667","","Plokhikh, Igor V.; Khan, Nazir; Tsirlin, Alexander A.; Kuznetsov, Alexey N.; Charkin, Dmitri O.; Shevelkov, Andrei V.; Pfitzner, Arno","Synthesis, crystal and electronic structures of Pt-rich phosphides EuPt<sub>3</sub>P and EuPt<sub>6</sub>P<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15272","15282","10.1039/c9dt02845e","powder diffraction","x-ray","0.7093","MoKα","","0.0372","0.0284","","0.0248","0.0238","","","","1.43","","","","","","","has coordinates","224241","2020-10-21","18:00:00",""
"7701238","8.2336","0.0007","10.608","0.0009","21.775","0.0019","90","","98.405","0.001","90","","1881.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Al N4 -","- C22 H21 Al N4 -","- C88 H84 Al4 N16 -","4","1","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.0547","0.0397","","","0.0976","0.1053","","","","","","1.039","","","","has coordinates","224244","2020-10-21","18:00:00",""
"7701239","12.669","0.003","12.633","0.003","15.592","0.004","90","","105.711","0.003","90","","2402.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Al N4 O -","- C26 H29 Al N4 O -","- C104 H116 Al4 N16 O4 -","4","1","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.1979","0.1028","","","0.2176","0.2734","","","","","","1.059","","","","has coordinates","224244","2020-10-21","18:00:00",""
"7701240","19.113","0.005","12.042","0.003","19.188","0.005","90","","90","","90","","4416","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Al N4 -","- C25 H27 Al N4 -","- C200 H216 Al8 N32 -","8","1","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.1861","0.1013","","","0.1845","0.2237","","","","","","1.04","","","","has coordinates","224244","2020-10-21","18:00:00",""
"7701241","10.2661","0.0008","19.6527","0.0015","10.5001","0.0008","90","","107.004","0.001","90","","2025.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Al N4 -","- C23 H23 Al N4 -","- C92 H92 Al4 N16 -","4","1","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.0598","0.046","","","0.1182","0.1277","","","","","","1.021","","","","has coordinates,has disorder","224244","2020-10-21","18:00:00",""
"7701242","9.877","0.003","19.118","0.006","13.864","0.004","90","","110.002","0.004","90","","2460","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26.5 H28 Al Cl N4 -","- C26.5 H28 Al Cl N4 -","- C106 H112 Al4 Cl4 N16 -","4","2","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.106","0.0685","","","0.1554","0.1795","","","","","","0.997","","","","has coordinates,has disorder","224244","2020-10-21","18:00:00",""
"7701243","8.653","0.004","12.459","0.006","13.74","0.007","68.949","0.006","79.141","0.006","88.321","0.006","1356.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Al N4 O -","- C30 H35 Al N4 O -","- C60 H70 Al2 N8 O2 -","2","1","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.1224","0.081","","","0.2181","0.2473","","","","","","1.038","","","","has coordinates,has disorder","224244","2020-10-21","18:00:00",""
"7701244","12.8797","0.0012","17.8443","0.0017","15.4734","0.0015","90","","104.716","0.003","90","","3439.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 Al N4 O5 -","- C32 H37 Al N4 O5 -","- C128 H148 Al4 N16 O20 -","4","2","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.169","0.0701","","","0.1667","0.2255","","","","","","0.984","","","","has coordinates,has disorder","224244","2020-10-21","18:00:00",""
"7701245","19.425","0.0004","14.3964","0.0003","28.9317","0.0006","90","","101.428","0.001","90","","7930.3","0.3","150","2","150.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H124 Cu5 Ge2 La2 Mo24 N12 O139 -","- C60 H40 Cu5 Ge2 La2 Mo24 N12 O126 -","- C120 H80 Cu10 Ge4 La4 Mo48 N24 O252 -","2","0.5","","Hu, Huifen; Gong, Peijun; Pang, Jingjing; Jiang, Jun; Chen, Lijuan; Zhao, Junwei","Organic-inorganic hybrid 1-D double chain heteropolymolybdates constructed from plenary Keggin germanomolybdate anions and hepta-nuclear Cu-RE-pic heterometallic clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15977","15988","10.1039/c9dt03083b","","","0.71073","MoKα","","0.0639","0.0477","","","0.1086","0.1166","","","","","","1.041","","","","has coordinates","224031","2020-10-21","18:00:00",""
"7701246","19.4634","0.0005","14.4095","0.0003","28.9976","0.0006","90","","101.204","0.001","90","","7977.6","0.3","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H124 Ce2 Cu5 Ge2 Mo24 N12 O139 -","- C60 H40 Ce2 Cu5 Ge2 Mo24 N12 O128 -","- C120 H80 Ce4 Cu10 Ge4 Mo48 N24 O256 -","2","0.5","","Hu, Huifen; Gong, Peijun; Pang, Jingjing; Jiang, Jun; Chen, Lijuan; Zhao, Junwei","Organic-inorganic hybrid 1-D double chain heteropolymolybdates constructed from plenary Keggin germanomolybdate anions and hepta-nuclear Cu-RE-pic heterometallic clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15977","15988","10.1039/c9dt03083b","","","0.71073","MoKα","","0.0675","0.051","","","0.1208","0.1289","","","","","","1.067","","","","has coordinates","224031","2020-10-21","18:00:00",""
"7701247","8.9879","0.0003","10.9776","0.0003","26.2559","0.0007","90","","90","","90","","2590.55","0.13","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Al2 -","- C32 H40 Al2 -","- C128 H160 Al8 -","4","1","","Haider, Wasim; Andrada, Diego M.; Bischoff, Inga-Alexandra; Huch, Volker; Schäfer, André","A bis(aluminocenophane) with a short aluminum-aluminum single bond.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14953","14957","10.1039/c9dt03470f","","","0.71073","MoKα","","0.0283","0.026","","","0.0678","0.0693","","","","","","1.082","","","","has coordinates","224264","2020-10-21","18:00:00",""
"7701248","11.2373","0.0004","13.3899","0.0004","14.1649","0.0005","63.716","0.0013","70.0821","0.0013","80.4239","0.0013","1796.37","0.11","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H58 Al2 N2 -","- C42 H58 Al2 N2 -","- C84 H116 Al4 N4 -","2","1","","Haider, Wasim; Andrada, Diego M.; Bischoff, Inga-Alexandra; Huch, Volker; Schäfer, André","A bis(aluminocenophane) with a short aluminum-aluminum single bond.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14953","14957","10.1039/c9dt03470f","","","0.71073","MoKα","","0.0747","0.0435","","","0.1141","0.1354","","","","","","1.042","","","","has coordinates,has disorder","224264","2020-10-21","18:00:00",""
"7701249","9.7187","0.0005","12.0086","0.0007","13.3295","0.0011","85.912","0.006","69.21","0.006","76.361","0.005","1413.22","0.17","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H70.54 Cl4 Ir2 N4 O7.27 S2 -","- C50 H70.544 Cl4 Ir2 N4 O7.272 S2 -","- C50 H70.544 Cl4 Ir2 N4 O7.272 S2 -","1","0.5","","Tickner, Ben J.; Lewis, Jennifer S.; John, Richard O.; Whitwood, Adrian C.; Duckett, Simon B.","Mechanistic insight into novel sulfoxide containing SABRE polarisation transfer catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15198","15206","10.1039/c9dt02951f","","x-ray","1.54184","CuKα","","0.0354","0.0303","","","0.073","0.0768","","","","","","1.019","","","","has coordinates,has disorder","224259","2020-10-21","18:00:00",""
"7701250","35.013","0.002","35.013","0.002","14.6617","0.0007","90","","90","","120","","15565.9","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H17.45 Cd N6 O3.72 -","- C16 H17.448 Cd N6 O3.724 -","- C288 H314.064 Cd18 N108 O67.032 -","18","1","","Tom, Lincy; Kurup, M. R. Prathapachandra","Stimuli Responsive Multifunctional ZMOF based on an Unorthodox Polytopic ligand: Reversible Thermochromism and Anion Triggered Metallogelation","Dalton Transactions","2019","","","","","10.1039/C9DT02820J","","","0.71073","MoKα","","0.0803","0.0581","","","0.1682","0.1937","","","","","","0.611","","","","has coordinates,has disorder","218848","2020-10-21","18:00:00",""
"7701251","9.7771","0.0004","11.5138","0.0004","18.98","0.0007","90.278","0.001","92.855","0.001","107.145","0.001","2038.7","0.13","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cu4 F12 N8 -","- C32.003 H40 Cu4 F12.009 N8 -","- C64.006 H80 Cu8 F24.018 N16 -","2","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Ghimire, Mukunda M.; Hudson, Joshua M.; Parasar, Devaborniny; Palehepitiya Gamage, Chammi S.; Li, Shan; Omary, Mohammad A.","Brightly phosphorescent tetranuclear copper(i) pyrazolates.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14979","14983","10.1039/c9dt03402a","","","0.71073","MoKα","","0.0784","0.0536","","","0.1138","0.1263","","","","","","0.991","","","","has coordinates,has disorder","224249","2020-10-21","18:00:00",""
"7701252","18.9169","0.0015","20.9151","0.0016","22.8836","0.0017","90","","90","","90","","9053.9","1.2","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H56 Br4 Cu4 N8 -","- C36 H56 Br4 Cu4 N8 -","- C288 H448 Br32 Cu32 N64 -","8","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Ghimire, Mukunda M.; Hudson, Joshua M.; Parasar, Devaborniny; Palehepitiya Gamage, Chammi S.; Li, Shan; Omary, Mohammad A.","Brightly phosphorescent tetranuclear copper(i) pyrazolates.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14979","14983","10.1039/c9dt03402a","","","0.71073","MoKα","","0.0628","0.0344","","","0.0711","0.0828","","","","","","1.033","","","","has coordinates,has disorder","224249","2020-10-21","18:00:00",""
"7701253","19.0932","0.0008","21.3451","0.0008","23.1709","0.0009","90","","90","","90","","9443.2","0.6","276","2","276.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H56 Br4 Cu4 N8 -","- C36 H56 Br4 Cu4 N8 -","- C288 H448 Br32 Cu32 N64 -","8","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Ghimire, Mukunda M.; Hudson, Joshua M.; Parasar, Devaborniny; Palehepitiya Gamage, Chammi S.; Li, Shan; Omary, Mohammad A.","Brightly phosphorescent tetranuclear copper(i) pyrazolates.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14979","14983","10.1039/c9dt03402a","","","0.71073","MoKα","","0.066","0.0368","","","0.0825","0.097","","","","","","0.995","","","","has coordinates,has disorder","224249","2020-10-21","18:00:00",""
"7701254","14.2997","0.0004","9.4881","0.0003","9.3862","0.0003","90","","109.712","0.001","90","","1198.86","0.06","268","2","268.01","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H9 Cu3 F12 N5 O7 -","- C15 H9 Cu3 F12 N5 O7 -","- C30 H18 Cu6 F24 N10 O14 -","2","0.5","","Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D.","CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15236","15246","10.1039/c9dt02133g","","","0.71073","MoKα","","0.0542","0.05","","","0.1104","0.1114","","","","","","1.147","","","","has coordinates,has disorder","224246","2020-10-21","18:00:00",""
"7701255","6.7891","0.0004","6.9057","0.0003","17.1652","0.0009","90","","90","","90","","804.76","0.07","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","3,5-bis(trifluoromethyl)pyrazole-4-carboxylic acid","","","- C6 H2 F6 N2 O2 -","- C6 H2 F6 N2 O2 -","- C24 H8 F24 N8 O8 -","4","0.5","","Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D.","CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15236","15246","10.1039/c9dt02133g","","","0.71073","MoKα","","0.0679","0.0668","","","0.1437","0.1447","","","","","","1.208","","","","has coordinates","224246","2020-10-21","18:00:00",""
"7701256","16.572","0.003","14.665","0.003","26.933","0.009","90","","115.34","0.02","90","","5916","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","4","","Dutta, Mintu Maan; Talukdar, Hrishikesh; Phukan, Prodeep","CuI incorporated cobalt ferrite nanoparticles as a magnetically separable catalyst for oxidative amidation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16041","16052","10.1039/c9dt03440d","","","0.71073","MoKα","","0.143","0.0696","","","0.172","0.2321","","","","","","1.031","","","","has coordinates","224021","2020-10-21","18:00:00",""
"7701260","15.061","0.003","18.967","0.004","17.27","0.004","90","","107.86","0.03","90","","4695.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N24 O Zn3 -","- C34 H26 N24 Zn3 -","- C136 H104 N96 Zn12 -","4","1","","Huang, Chao; Zhu, Kaifang; Zhang, Yingying; Lu, Guizhen; Shao, Zhichao; Gao, Kuan; Mi, Liwei; Hou, Hongwei","Surfactant-assisted assembly of nanoscale zinc coordination compounds to enhance tandem conversion reactions in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16008","16016","10.1039/c9dt03145f","","","0.71073","MoKα","","0.0836","0.0588","","","0.1176","0.1347","","","","","","1.067","","","","has coordinates","224030","2020-10-21","18:00:00",""
"7701261","20.348","0.004","12.59","0.003","19.354","0.004","90","","117.33","0.03","90","","4405","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N20 O4 Zn3 -","- C10 H8 N20 O4 Zn3 -","- C80 H64 N160 O32 Zn24 -","8","1","","Huang, Chao; Zhu, Kaifang; Zhang, Yingying; Lu, Guizhen; Shao, Zhichao; Gao, Kuan; Mi, Liwei; Hou, Hongwei","Surfactant-assisted assembly of nanoscale zinc coordination compounds to enhance tandem conversion reactions in water.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16008","16016","10.1039/c9dt03145f","","","0.71073","MoKα","","0.0597","0.0495","","","0.0912","0.0964","","","","","","1.138","","","","has coordinates,has disorder","224030","2020-10-21","18:00:00",""
"7701262","15.1126","0.0019","20.493","0.003","18.69","0.002","90","","99.009","0.002","90","","5716.9","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H55 Cl2 Ir N4 O2 -","- C66 H55 Cl2 Ir N4 O2 -","- C264 H220 Cl8 Ir4 N16 O8 -","4","1","","Yamada, Kie; Mori, Hirotoshi; Sugaya, Tomoaki; Tadokoro, Makoto; Maeba, Junichi; Nozaki, Koichi; Haga, Masa-Aki","Synthesis, X-ray structure, photophysical properties, and theoretical studies of six-membered cyclometalated iridium(iii) complexes: revisiting Ir(pnbi)<sub>2</sub>(acac).","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15212","15219","10.1039/c9dt03392k","","","0.71073","MoKα","","0.0486","0.0366","","","0.0953","0.0994","","","","","","1.01","","","","has coordinates,has disorder","224252","2020-10-21","18:00:00",""
"7701263","20.49","0.005","13.025","0.003","15.824","0.004","90","","105.93","0.003","90","","4061","1.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H37 Ir N4 O2 -","- C51 H37 Ir N4 O2 -","- C204 H148 Ir4 N16 O8 -","4","1","","Yamada, Kie; Mori, Hirotoshi; Sugaya, Tomoaki; Tadokoro, Makoto; Maeba, Junichi; Nozaki, Koichi; Haga, Masa-Aki","Synthesis, X-ray structure, photophysical properties, and theoretical studies of six-membered cyclometalated iridium(iii) complexes: revisiting Ir(pnbi)<sub>2</sub>(acac).","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15212","15219","10.1039/c9dt03392k","","","0.71075","MoKα","","","0.0913","","","","0.166","","","","","","1.14","","","","has coordinates","224252","2020-10-21","18:00:00",""
"7701264","18.7688","0.0017","8.7665","0.0008","18.4286","0.0016","90","","91.41","0.007","90","","3031.3","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H41 Cl2 N2 P Pd Ru S2 -","- C23 H41 Cl2 N2 P Pd Ru S2 -","- C92 H164 Cl8 N8 P4 Pd4 Ru4 S8 -","4","1","","Askari, Banafshe; Amiri Rudbari, Hadi; Micale, Nicola; Schirmeister, Tanja; Efferth, Thomas; Seo, Ean-Jeong; Bruno, Giuseppe; Schwickert, Kevin","Ruthenium(ii) and palladium(ii) homo- and heterobimetallic complexes: synthesis, crystal structures, theoretical calculations and biological studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15869","15887","10.1039/c9dt02353d","","","0.71073","MoKα","","0.0838","0.0424","","","0.0781","0.0936","","","","","","1.009","","","","has coordinates","224032","2020-10-21","18:00:00",""
"7701265","9.773","0.0017","14.705","0.002","11.9647","0.0017","90","","98.419","0.012","90","","1700.9","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Cl2 N2 P2 Pd2 S2 -","- C24 H52 Cl2 N2 P2 Pd2 S2 -","- C48 H104 Cl4 N4 P4 Pd4 S4 -","2","0.5","","Askari, Banafshe; Amiri Rudbari, Hadi; Micale, Nicola; Schirmeister, Tanja; Efferth, Thomas; Seo, Ean-Jeong; Bruno, Giuseppe; Schwickert, Kevin","Ruthenium(ii) and palladium(ii) homo- and heterobimetallic complexes: synthesis, crystal structures, theoretical calculations and biological studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15869","15887","10.1039/c9dt02353d","","","0.71073","MoKα","","0.0504","0.0329","","","0.0668","0.0694","","","","","","0.862","","","","has coordinates","224032","2020-10-21","18:00:00",""
"7701266","8.2747","0.0012","9.097","0.0011","20.186","0.003","86.729","0.004","79.82","0.005","79.365","0.004","1469.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl Ge N2 P -","- C32 H34 Cl Ge N2 P -","- C64 H68 Cl2 Ge2 N4 P2 -","2","1","","Feng, Zhongtao; Jiang, Yixiao; Ruan, Huapeng; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","A diamidinatogermylene as a Z-type ligand in a nickel(0) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14975","14978","10.1039/c9dt03803e","","","0.71073","MoKα","","0.0863","0.0567","","","0.1416","0.1578","","","","","","1.052","","","","has coordinates","224261","2020-10-21","18:00:00",""
"7701267","11.2674","0.0013","13.6982","0.0015","19.294","0.002","89.501","0.002","76.818","0.002","74.009","0.002","2782.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H68 Ge N4 Ni P2 -","- C64 H68 Ge N4 Ni P2 -","- C128 H136 Ge2 N8 Ni2 P4 -","2","1","","Feng, Zhongtao; Jiang, Yixiao; Ruan, Huapeng; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","A diamidinatogermylene as a Z-type ligand in a nickel(0) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14975","14978","10.1039/c9dt03803e","","","0.71073","MoKα","","0.0591","0.0402","","","0.0992","0.107","","","","","","1.006","","","","has coordinates,has disorder","224261","2020-10-21","18:00:00",""
"7701268","12.7731","0.0014","13.8926","0.0017","21.428","0.003","101.727","0.004","100.858","0.003","105.974","0.003","3456.7","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H84 Cl2 Ge2 N4 Ni P2 -","- C78 H84 Cl2 Ge2 N4 Ni P2 -","- C156 H168 Cl4 Ge4 N8 Ni2 P4 -","2","1","","Feng, Zhongtao; Jiang, Yixiao; Ruan, Huapeng; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","A diamidinatogermylene as a Z-type ligand in a nickel(0) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14975","14978","10.1039/c9dt03803e","","","0.71073","MoKα","","0.1244","0.0589","","","0.1093","0.1297","","","","","","1.011","","","","has coordinates","224261","2020-10-21","18:00:00",""
"7701269","6.8275","0.0002","22.0294","0.0007","10.7863","0.0003","90","","101.659","0.001","90","","1588.85","0.08","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H16 Au Cl2 N O2 S2 -","- C10 H16 Au Cl2 N O2 S2 -","- C40 H64 Au4 Cl8 N4 O8 S8 -","4","2","","Brustolin, L.; Pettenuzzo, N.; Nardon, C.; Quarta, S.; Marchiò, L; Biondi, B.; Pontisso, P.; Fregona, D.","Au(iii)-Proline derivatives exhibiting selective antiproliferative activity against HepG2/SB3 apoptosis-resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16017","16025","10.1039/c9dt03036k","","","0.71073","MoKα","","0.019","0.0173","","","0.0352","0.0358","","","","","","0.919","","","","has coordinates","224014","2020-10-21","18:00:00",""
"7701270","6.985","0.002","22.283","0.007","11.048","0.003","90","","102.358","0.005","90","","1679.7","0.8","293","2","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H16 Au Br2 N O2 S2 -","- C10 H16 Au Br2 N O2 S2 -","- C40 H64 Au4 Br8 N4 O8 S8 -","4","2","","Brustolin, L.; Pettenuzzo, N.; Nardon, C.; Quarta, S.; Marchiò, L; Biondi, B.; Pontisso, P.; Fregona, D.","Au(iii)-Proline derivatives exhibiting selective antiproliferative activity against HepG2/SB3 apoptosis-resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16017","16025","10.1039/c9dt03036k","","","0.71073","MoKα","","0.0681","0.0436","","","0.0805","0.0903","","","","","","0.946","","","","has coordinates","224014","2020-10-21","18:00:00",""
"7701271","7.197","0.002","14.315","0.003","26.37","0.005","90","","90","","90","","2716.8","1.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Au Br2 N O2 S2 -","- C7 H10 Au Br2 N O2 S2 -","- C56 H80 Au8 Br16 N8 O16 S16 -","8","2","","Brustolin, L.; Pettenuzzo, N.; Nardon, C.; Quarta, S.; Marchiò, L; Biondi, B.; Pontisso, P.; Fregona, D.","Au(iii)-Proline derivatives exhibiting selective antiproliferative activity against HepG2/SB3 apoptosis-resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16017","16025","10.1039/c9dt03036k","","","0.71073","MoKα","","0.0461","0.0369","","","0.0783","0.0844","","","","","","1.009","","","","has coordinates","224014","2020-10-21","18:00:00",""
"7701272","30.1685","0.0009","9.1638","0.0003","20.49","0.0006","90","","105.734","0.0011","90","","5452.4","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H38 Ni P2 S3 -","- C25 H38 Ni P2 S3 -","- C200 H304 Ni8 P16 S24 -","8","1","","Kaur-Ghumaan, Sandeep; Hasche, Patrick; Spannenberg, Anke; Beweries, Torsten","Nickel(II) PE1CE2P pincer complexes (E = O, S) for electrocatalytic proton reduction","Dalton Transactions","2019","","","","","10.1039/C9DT03626A","","","0.71073","MoKα","","0.0316","0.0266","","","0.0661","0.0698","","","","","","1.038","","","","has coordinates","218946","2020-10-21","18:00:00",""
"7701273","17.8395","0.0018","19.3485","0.0019","24.563","0.002","90","","90","","90","","8478.4","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H59 Cd Ge2 I2 N4 -","- C36 H60 Cd Ge2 I2 N4 -","- C288 H480 Cd8 Ge16 I16 N32 -","8","1","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.0755","0.0544","","","0.1411","0.153","","","","","","1.033","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701274","9.1533","0.0015","26.486","0.005","10.1617","0.0017","90","","106.896","0.003","90","","2357.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 Cd2 Ge2 I4 N4 -","- C36 H60 Cd2 Ge2 I4 N4 -","- C72 H120 Cd4 Ge4 I8 N8 -","2","0.5","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.0479","0.0343","","","0.0744","0.0912","","","","","","1.027","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701275","18.971","0.003","13.2411","0.0019","21.886","0.004","90","","90","","90","","5497.7","1.5","304","2","304","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.96 H60 Ge2 I4 N4 Zn2 -","- C35.96 H60 Ge2 I4 N4 Zn2 -","- C143.84 H240 Ge8 I16 N16 Zn8 -","4","0.5","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.0752","0.0592","","","0.1517","0.1688","","","","","","1.046","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701276","12.144","0.004","24.53","0.008","13.845","0.004","90","","96.653","0.007","90","","4097","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 Cl2 Ge2 N4 Zn -","- C36 H60 Cl2 Ge2 N4 Zn -","- C144 H240 Cl8 Ge8 N16 Zn4 -","4","1","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.1289","0.0994","","","0.2577","0.2711","","","","","","1.155","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701277","12.595","0.0009","14.996","0.001","14.4998","0.001","90","","106.891","0.002","90","","2620.5","0.3","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Cd2 Cl8 Ge2 N4 -","- C38 H62 Cd2 Cl8 Ge2 N4 -","- C76 H124 Cd4 Cl16 Ge4 N8 -","2","0.5","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.0807","0.0471","","","0.1175","0.1276","","","","","","1.101","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701278","10.268","0.002","11.193","0.002","12.837","0.003","87.685","0.004","79.561","0.005","75.846","0.005","1406.9","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 Cl4 Ge2 N4 Se2 Zn2 -","- C36 H60 Cl4 Ge2 N4 Se2 Zn2 -","- C36 H60 Cl4 Ge2 N4 Se2 Zn2 -","1","0.5","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.1328","0.0807","","","0.1692","0.1871","","","","","","0.918","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701279","8.8873","0.0016","12.724","0.002","19.021","0.003","90","","98.769","0.005","90","","2125.8","0.6","300","2","300","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H12 Bi I5 N2 O -","- C12 H12 Bi I5 N2 O -","- C48 H48 Bi4 I20 N8 O4 -","4","1","","Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond","Influence of organic cation planarity on structural templating in hybrid metal-halides","Dalton Transactions","2019","","","","","10.1039/C9DT03207J","","","0.71073","MoKα","","0.0554","0.0405","","","0.0962","0.1054","","","","","","1.037","","","","has coordinates","218988","2020-10-21","18:00:00",""
"7701280","8.578","0.0005","14.1272","0.0009","18.0628","0.0012","90","","93.434","0.002","90","","2185","0.2","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 I10 N4 O2 Pb3 -","- C24 H24 I10 N4 O2 Pb3 -","- C48 H48 I20 N8 O4 Pb6 -","2","0.5","","Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond","Influence of organic cation planarity on structural templating in hybrid metal-halides","Dalton Transactions","2019","","","","","10.1039/C9DT03207J","","","0.71073","MoKα","","0.0387","0.0298","","","0.0692","0.0735","","","","","","1.05","","","","has coordinates","218988","2020-10-21","18:00:00",""
"7701281","23.0581","0.0009","9.6584","0.0004","20.2649","0.0008","90","","115.491","0.001","90","","4073.7","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 I10 N4 Pb3 -","- C20 H20 I10 N4 Pb3 -","- C80 H80 I40 N16 Pb12 -","4","0.5","","Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond","Influence of organic cation planarity on structural templating in hybrid metal-halides","Dalton Transactions","2019","","","","","10.1039/C9DT03207J","","","0.71073","MoKα","","0.0395","0.0283","","","0.0654","0.0702","","","","","","1.066","","","","has coordinates","218988","2020-10-21","18:00:00",""
"7701282","16.8894","0.0012","16.2437","0.0011","7.7193","0.0005","90","","108.266","0.002","90","","2011.1","0.2","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Bi Br2 I4 N2 O -","- C10 H9 Bi Br2 I4 N2 O -","- C40 H36 Bi4 Br8 I16 N8 O4 -","4","0.5","","Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond","Influence of organic cation planarity on structural templating in hybrid metal-halides","Dalton Transactions","2019","","","","","10.1039/C9DT03207J","","","0.71073","MoKα","","0.0303","0.025","","","0.057","0.0598","","","","","","1.07","","","","has coordinates","218988","2020-10-21","18:00:00",""
"7701283","9.9732","0.0004","10.5908","0.0005","19.3664","0.0009","80.227","0.002","88.32","0.002","88.114","0.002","2014.2","0.16","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Bi2 I10 N4 -","- C20 H20 Bi2 I10 N4 -","- C40 H40 Bi4 I20 N8 -","2","1","","Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond","Influence of organic cation planarity on structural templating in hybrid metal-halides","Dalton Transactions","2019","","","","","10.1039/C9DT03207J","","","0.71073","MoKα","","0.0581","0.0399","","","0.0884","0.0965","","","","","","1.037","","","","has coordinates","218988","2020-10-21","18:00:00",""
"7701284","13.655","0.002","17.038","0.003","8.0837","0.0012","90","","104.528","0.003","90","","1820.6","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Br2 I3 N2 Pb -","- C10 H7 Br2 I3 N2 Pb -","- C40 H28 Br8 I12 N8 Pb4 -","4","1","","Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond","Influence of organic cation planarity on structural templating in hybrid metal-halides","Dalton Transactions","2019","","","","","10.1039/C9DT03207J","","","0.71073","MoKα","","0.1164","0.0996","","","0.2685","0.2785","","","","","","1.107","","","","has coordinates","218988","2020-10-21","18:00:00",""
"7701285","30.5599","0.0005","11.0773","0.0002","21.33","0.0004","90","","105.473","0.0006","90","","6959","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H51 N Si2 Zr -","- C33 H51 N Si2 Zr -","- C264 H408 N8 Si16 Zr8 -","8","1","","Arndt, Perdita; Reiß, Melanie; Spannenberg, Anke; Schuenemann, Claas; Reiß, Fabian; Beweries, Torsten","A general benzylic C-H activation and C-C coupling reaction at zirconocenes mediated by C-N bond cleavage in tert-butylisocyanide ‒ unusual formation of iminoacyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03120K","","","0.71073","MoKα","","0.0282","0.0245","","","0.0651","0.067","","","","","","1.069","","","","has coordinates","218989","2020-10-21","18:00:00",""
"7701286","11.5367","0.0006","15.1627","0.0007","15.5805","0.0007","90","","96.2381","0.0008","90","","2709.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 N2 Zr -","- C33 H40 N2 Zr -","- C132 H160 N8 Zr4 -","4","1","","Arndt, Perdita; Reiß, Melanie; Spannenberg, Anke; Schuenemann, Claas; Reiß, Fabian; Beweries, Torsten","A general benzylic C-H activation and C-C coupling reaction at zirconocenes mediated by C-N bond cleavage in tert-butylisocyanide ‒ unusual formation of iminoacyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03120K","","","0.71073","MoKα","","0.0317","0.0264","","","0.0628","0.0662","","","","","","1.03","","","","has coordinates","218989","2020-10-21","18:00:00",""
"7701287","9.3286","0.001","10.659","0.0011","14.8127","0.0016","87.887","0.003","83.265","0.003","85.072","0.003","1456.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H44 N2 Zr -","- C35 H44 N2 Zr -","- C70 H88 N4 Zr2 -","2","1","","Arndt, Perdita; Reiß, Melanie; Spannenberg, Anke; Schuenemann, Claas; Reiß, Fabian; Beweries, Torsten","A general benzylic C-H activation and C-C coupling reaction at zirconocenes mediated by C-N bond cleavage in tert-butylisocyanide ‒ unusual formation of iminoacyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03120K","","","0.71073","MoKα","","0.026","0.0243","","","0.0613","0.0629","","","","","","1.045","","","","has coordinates,has disorder","218989","2020-10-21","18:00:00",""
"7701288","10.7718","0.0006","15.621","0.0009","20.8511","0.0012","103.768","0.002","101.732","0.0019","91.398","0.002","3326.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H96 N4 Zr3 -","- C82 H96 N4 Zr3 -","- C164 H192 N8 Zr6 -","2","1","","Arndt, Perdita; Reiß, Melanie; Spannenberg, Anke; Schuenemann, Claas; Reiß, Fabian; Beweries, Torsten","A general benzylic C-H activation and C-C coupling reaction at zirconocenes mediated by C-N bond cleavage in tert-butylisocyanide ‒ unusual formation of iminoacyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03120K","","","0.71073","MoKα","","0.0408","0.0369","","","0.084","0.0869","","","","","","1.024","","","","has coordinates,has disorder","218989","2020-10-21","18:00:00",""
"7701289","11.8991","0.0012","9.1987","0.0009","16.9903","0.0017","90","","90.659","0.002","90","","1859.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl3 Dy N4 -","- C14 H18 Cl3 Dy N4 -","- C56 H72 Cl12 Dy4 N16 -","4","1","","Wu, Haipeng; Li, Min; Yin, Bing; Xia, Zhengqiang; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties","Dalton Transactions","2019","","","","","10.1039/C9DT03292D","","","0.71073","MoKα","","0.0363","0.0254","","","0.0522","0.056","","","","","","1.031","","","","has coordinates","218990","2020-10-21","18:00:00",""
"7701290","8.5713","0.001","14.3669","0.0017","8.9521","0.001","90","","115.407","0.002","90","","995.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Cl3 Dy N4 -","- C16 H22 Cl3 Dy N4 -","- C32 H44 Cl6 Dy2 N8 -","2","1","","Wu, Haipeng; Li, Min; Yin, Bing; Xia, Zhengqiang; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties","Dalton Transactions","2019","","","","","10.1039/C9DT03292D","","","0.71073","MoKα","","0.0188","0.0181","","","0.044","0.0444","","","","","","0.922","","","","has coordinates","218990","2020-10-21","18:00:00",""
"7701291","8.2337","0.0008","11.3866","0.0008","18.9912","0.0014","93.466","0.006","95.632","0.007","110.499","0.009","1651.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Br4 Cl Dy N6 O6 -","- C26 H22 Br4 Cl Dy N6 O6 -","- C52 H44 Br8 Cl2 Dy2 N12 O12 -","2","1","","Wu, Haipeng; Li, Min; Yin, Bing; Xia, Zhengqiang; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties","Dalton Transactions","2019","","","","","10.1039/C9DT03292D","","x-ray","1.54178","CuKα","","0.1246","0.093","","","0.2434","0.2682","","","","","","1.062","","","","has coordinates","218990","2020-10-21","18:00:00",""
"7701292","23.3141","0.0007","18.7255","0.0006","26.6532","0.0007","90","","90.387","0.001","90","","11635.7","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl18 Dy3 N21 O27 -","- C96 H72 Cl18 Dy3 N21 O27 -","- C384 H288 Cl72 Dy12 N84 O108 -","4","1","","Wu, Haipeng; Li, Min; Yin, Bing; Xia, Zhengqiang; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties","Dalton Transactions","2019","","","","","10.1039/C9DT03292D","","","0.71073","MoKα","","0.0966","0.0765","","","0.1927","0.212","","","","","","1.022","","","","has coordinates","218990","2020-10-21","18:00:00",""
"7701293","17.4754","0.0017","18.5453","0.0015","14.5934","0.0014","90","","114.501","0.005","90","","4303.6","0.7","173","2","173.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Bi2 H80 N14 O88 W22 -","- Bi2 N14 O87.98 W22 -","- Bi4 N28 O175.96 W44 -","2","0.25","","Senevirathna, Dimuthu C.; Werrett, Melissa V.; Kubeil, Manja; Stephan, Holger; Andrews, Philip C.","Synthesis, structural characterisation, and cytotoxicity studies of Bi, W, and Mo containing homo- and hetero-bimetallic polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15962","15969","10.1039/c9dt03288f","","","0.71073","MoKα","","0.0566","0.0414","","","0.0952","0.1026","","","","","","1.061","","","","has coordinates,has disorder","224024","2020-10-21","18:00:00",""
"7701294","39.51","0.002","19.6993","0.001","25.1554","0.0013","90","","124.448","0.002","90","","16145.6","1.5","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H182 Mo36 N4 O177 -","- H4 Mo36 N4 O177 -","- H16 Mo144 N16 O708 -","4","0.5","","Senevirathna, Dimuthu C.; Werrett, Melissa V.; Kubeil, Manja; Stephan, Holger; Andrews, Philip C.","Synthesis, structural characterisation, and cytotoxicity studies of Bi, W, and Mo containing homo- and hetero-bimetallic polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15962","15969","10.1039/c9dt03288f","","","0.71073","MoKα","","0.0628","0.0517","","","0.1152","0.1214","","","","","","1.087","","","","has coordinates,has disorder","224024","2020-10-21","18:00:00",""
"7701295","11.6976","0.0007","23.1883","0.0013","20.2723","0.0011","90","","102.973","0.003","90","","5358.5","0.5","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H54 Bi Mo8 N O35 S8 -","- C16 H50 Bi Mo8 N O35 S8 -","- C64 H200 Bi4 Mo32 N4 O140 S32 -","4","1","","Senevirathna, Dimuthu C.; Werrett, Melissa V.; Kubeil, Manja; Stephan, Holger; Andrews, Philip C.","Synthesis, structural characterisation, and cytotoxicity studies of Bi, W, and Mo containing homo- and hetero-bimetallic polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15962","15969","10.1039/c9dt03288f","","","0.71073","MoKα","","0.0584","0.0351","","","0.0609","0.0689","","","","","","1.021","","","","has coordinates,has disorder","224024","2020-10-21","18:00:00",""
"7701296","7.5718","0.0003","17.2362","0.0006","13.093","0.0005","90","","95.976","0.001","90","","1699.47","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F N Si -","- C20 H22 F N Si -","- C80 H88 F4 N4 Si4 -","4","1","","Fugel, Malte; Ponomarenko, Maksym; Hesse, Maxie F.; Malaspina, Lorraine Andrade; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon","Complementary bonding analysis of the N – Si interaction in pentacoordinated silicon compounds using quantum crystallography","Dalton Transactions","2019","","","","","10.1039/C9DT02772F","","","0.71073","MoKα","","0.0209","0.0209","","0.0132","0.0132","","0.0266","","2.7307","1.7307","1.7307","","","","","has coordinates","288574","2023-12-31","01:38:45",""
"7701297","9.5986","0.0019","11.43","0.002","29.056","0.006","90","","90","","90","","3187.8","1.1","25","2","25","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F N Si -","- C19 H20 F N Si -","- C152 H160 F8 N8 Si8 -","8","2","","Fugel, Malte; Ponomarenko, Maksym; Hesse, Maxie F.; Malaspina, Lorraine Andrade; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon","Complementary bonding analysis of the N – Si interaction in pentacoordinated silicon compounds using quantum crystallography","Dalton Transactions","2019","","","","","10.1039/C9DT02772F","","","0.4133","synchrotron","","0.0244","0.0244","","0.0207","0.0207","","0.0398","","3.5364","3.5364","3.5364","","","","","has coordinates","288574","2023-12-31","01:38:45",""
"7701298","13.131","0.003","7.798","0.0016","21.291","0.004","90","","99.58","0.03","90","","2149.7","0.8","20","10","20","10","","","","","","","synthesis as described","7","P 1 n 1","P -2yac","7","","","","- C41 H48 B2 Cl2 F10 N2 Si2 -","- C41 H48 B2 Cl2 F10 N2 Si2 -","- C82 H96 B4 Cl4 F20 N4 Si4 -","2","1","","Fugel, Malte; Ponomarenko, Maksym; Hesse, Maxie F.; Malaspina, Lorraine Andrade; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon","Complementary bonding analysis of the N ‒ Si interaction in pentacoordinated silicon compounds using quantum crystallography","Dalton Transactions","2019","","","","","10.1039/C9DT02772F","","x-ray","0.4015","synchrotron","","0.0754","0.0602","","","0.1705","0.1818","","","","","","0.994","","","","has coordinates,has disorder","218992","2020-10-21","18:00:00",""
"7701299","16.987","0.0009","18.1041","0.0009","23.7797","0.0012","95.64","0.002","99.05","0.002","99.754","0.002","7058.8","0.6","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54.75 Li N31 Ni6 O10.38 -","- C49 H54 Li N31 Ni6 O10.375 -","- C196 H216 Li4 N124 Ni24 O41.5 -","4","2","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce","Lithium cations in a self-assembled electrostatic nanocapsule","Dalton Transactions","2019","","","","","10.1039/C9DT03600H","","","0.71073","MoKα","","0.1083","0.0577","","","0.1542","0.1846","","","","","","1.031","","","","has coordinates","218993","2020-10-21","18:00:00",""
"7701300","11.4475","0.0006","12.6572","0.0007","16.0775","0.0009","77.95","0.002","87.542","0.002","73.331","0.002","2182.1","0.2","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H40 Br3 Ce Cl4 N2 O P2 -","- C41 H40 Br3 Ce Cl4 N2 O P2 -","- C82 H80 Br6 Ce2 Cl8 N4 O2 P4 -","2","1","","Su, Wei; Pan, Sudip; Sun, Xiong; Zhao, Lili; Frenking, Gernot; Zhu, Congqing","Cerium-carbon dative interactions supported by carbodiphosphorane.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16108","16114","10.1039/c9dt03770e","","","0.71073","MoKα","","0.0683","0.0494","","","0.1236","0.1303","","","","","","1.045","","","","has coordinates,has disorder","224022","2020-10-21","18:00:00",""
"7701301","17.0971","0.0011","30.3657","0.0018","19.5806","0.0013","90","","104.649","0.003","90","","9835.1","1.1","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C118 H96 B2 Br Ce N4 P4 -","- C118 H96 B2 Br Ce N4 P4 -","- C472 H384 B8 Br4 Ce4 N16 P16 -","4","1","","Su, Wei; Pan, Sudip; Sun, Xiong; Zhao, Lili; Frenking, Gernot; Zhu, Congqing","Cerium-carbon dative interactions supported by carbodiphosphorane.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16108","16114","10.1039/c9dt03770e","","","1.34139","GaKα","","0.0542","0.0464","","","0.1156","0.1198","","","","","","1.053","","","","has coordinates,has disorder","224022","2020-10-21","18:00:00",""
"7701302","17.131","","30.502","","19.646","","90","","104.62","","90","","9933.23","","193.01","","193.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C118 H96 B2 Br Ce N4 P4 -","- C118 H96 B2 Br Ce N4 P4 -","- C472 H384 B8 Br4 Ce4 N16 P16 -","4","1","","Su, Wei; Pan, Sudip; Sun, Xiong; Zhao, Lili; Frenking, Gernot; Zhu, Congqing","Cerium-carbon dative interactions supported by carbodiphosphorane.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16108","16114","10.1039/c9dt03770e","","","1.34139","GaKα","","0.1456","0.0675","","","0.1512","0.1874","","","","","","1.023","","","","has coordinates,has disorder","224022","2020-10-21","18:00:00",""
"7701303","17.1745","0.0011","29.9779","0.0017","19.4419","0.0013","90","","105.349","0.002","90","","9652.7","1.1","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C118 H96 B2 Br Ce N4 P4 -","- C118 H96 B2 Br Ce N4 P4 -","- C472 H384 B8 Br4 Ce4 N16 P16 -","4","1","","Su, Wei; Pan, Sudip; Sun, Xiong; Zhao, Lili; Frenking, Gernot; Zhu, Congqing","Cerium-carbon dative interactions supported by carbodiphosphorane.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16108","16114","10.1039/c9dt03770e","","","0.71073","MoKα","","0.1222","0.0786","","","0.1458","0.1649","","","","","","1.166","","","","has coordinates","224022","2020-10-21","18:00:00",""
"7701304","8.5021","0.0002","17.4789","0.0003","10.3866","0.0002","90","","125.234","0.001","90","","1260.76","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C32 H60 Cl8 N8 O4 U2 -","2","0.5","","Yao, Aining; Qu, Feng; Liu, Yu; Qu, Guangyin; Lin, Hao; Hu, Shaowen; Wang, Xiangyun; Chu, Taiwei","Ionic liquids with polychloride anions as effective oxidants for the dissolution of UO2","Dalton Transactions","2019","","","","","10.1039/C9DT03574E","","","0.71073","MoKα","","0.0474","0.0247","","","0.0577","0.0623","","","","","","0.988","","","","has coordinates","218996","2020-10-21","18:00:00",""
"7701305","13.9629","0.0001","13.727","0.0002","36.1365","0.0004","90","","95.597","0.001","90","","6893.22","0.14","123","1","123","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H88 B10 Co K N2 O6 P2 -","- C68 H88 B10 Co K N2 O6 P2 -","- C272 H352 B40 Co4 K4 N8 O24 P8 -","4","1","","Maier, Thomas M.; Coburger, Peter; van Leest, Nicolaas P.; Hey-Hawkins, Evamarie; Wolf, Robert","Direct synthesis of an anionic 13-vertex closo-cobaltacarborane cluster.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15772","15777","10.1039/c9dt03111a","","x-ray","1.54184","CuKα","","0.0423","0.0365","","","0.0892","0.0926","","","","","","1.031","","","","has coordinates,has disorder","224019","2020-10-21","18:00:00",""
"7701306","11.2578","0.0002","24.1038","0.0004","19.6169","0.0003","90","","96.95","0.002","90","","5284.04","0.15","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 B10 Co N2 P2 -","- C56 H58 B10 Co N2 P2 -","- C224 H232 B40 Co4 N8 P8 -","4","1","","Maier, Thomas M.; Coburger, Peter; van Leest, Nicolaas P.; Hey-Hawkins, Evamarie; Wolf, Robert","Direct synthesis of an anionic 13-vertex closo-cobaltacarborane cluster.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15772","15777","10.1039/c9dt03111a","","x-ray","1.54184","CuKα","","0.0524","0.0459","","","0.1189","0.123","","","","","","1.06","","","","has coordinates","224019","2020-10-21","18:00:00",""
"7701307","8.1878","0.0009","10.6068","0.0009","19.8411","0.0013","102.644","0.006","95.457","0.007","97.86","0.008","1651.6","0.3","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C41 H47 Co N2 -","- C41 H47 Co N2 -","- C82 H94 Co2 N4 -","2","1","","Maier, Thomas M.; Coburger, Peter; van Leest, Nicolaas P.; Hey-Hawkins, Evamarie; Wolf, Robert","Direct synthesis of an anionic 13-vertex closo-cobaltacarborane cluster.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15772","15777","10.1039/c9dt03111a","","x-ray","1.54184","CuKα","","0.079","0.0683","","","0.1661","0.1728","","","","","","1.098","","","","has coordinates","224019","2020-10-21","18:00:00",""
"7701308","11.2937","0.001","16.2786","0.0015","9.2757","0.001","90","","103.225","0.003","90","","1660.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N3 O3 -","- C22 H13 N3 O3 -","- C88 H52 N12 O12 -","4","1","","Ahmed, Muhib; Rooney, Denise; McCann, Malachy; Casey, Jamie; O'Shea, Katie; Twamley, Brendan","Tuning the reaction pathways of phenanthroline-Schiff bases: routes to novel phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15283","15289","10.1039/c9dt03084k","","x-ray","0.71073","MoKα","","0.1408","0.0603","","","0.1181","0.1499","","","","","","0.993","","","","has coordinates","224248","2020-10-21","18:00:00",""
"7701309","8.5421","0.0003","10.0776","0.0004","15.2032","0.0006","83.174","0.0016","74.5305","0.0015","78.6214","0.0016","1233.5","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H17 Br N3 O6 Re -","- C27 H17 Br N3 O6 Re -","- C54 H34 Br2 N6 O12 Re2 -","2","1","","Ahmed, Muhib; Rooney, Denise; McCann, Malachy; Casey, Jamie; O'Shea, Katie; Twamley, Brendan","Tuning the reaction pathways of phenanthroline-Schiff bases: routes to novel phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15283","15289","10.1039/c9dt03084k","","x-ray","1.54178","CuKα","","0.0388","0.0375","","","0.0991","0.1002","","","","","","1.058","","","","has coordinates,has disorder","224248","2020-10-21","18:00:00",""
"7701310","9.3727","0.0005","9.5629","0.0005","10.6715","0.0005","85.613","0.004","89.352","0.004","78.428","0.004","934.29","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C48 H38 N6 O6 -","2","1","","Ahmed, Muhib; Rooney, Denise; McCann, Malachy; Casey, Jamie; O'Shea, Katie; Twamley, Brendan","Tuning the reaction pathways of phenanthroline-Schiff bases: routes to novel phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15283","15289","10.1039/c9dt03084k","","x-ray","1.54178","CuKα","","0.0992","0.0592","","","0.1481","0.1743","","","","","","0.994","","","","has coordinates","224248","2020-10-21","18:00:00",""
"7701311","14.3638","0.0017","23.353","0.003","25.857","0.003","67.719","0.002","74.38","0.002","75.977","0.002","7633.1","1.6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C185 H372 In2 K10 N22 Ni4 O62 Sn36 -","- C185 H372 In2 K10 N22 Ni4 O62 Sn36 -","- C185 H372 In2 K10 N22 Ni4 O62 Sn36 -","1","0.5","","Zhang, Chao; Morgan, Harry W. T.; Wang, Zi-Chuan; Liu, Chao; Sun, Zhong-Ming; McGrady, John E.","Structural isomerism in the [(Ni@Sn<sub>9</sub>)In(Ni@Sn<sub>9</sub>)]<sup>5-</sup> Zintl ion.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15888","15895","10.1039/c9dt03008e","","","0.71073","MoKα","","0.1436","0.0735","","","0.1953","0.2236","","","","","","0.93","","","","has coordinates","224027","2020-10-21","18:00:00",""
"7701312","20.016","0.004","15.269","0.003","42.228","0.007","90","","105.883","0.008","90","","12413","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H137 In K5 N5 Ni2 O30 Sn18 -","- C65 H137 In K5 N5 Ni2 O30 Sn18 -","- C260 H548 In4 K20 N20 Ni8 O120 Sn72 -","4","1","","Zhang, Chao; Morgan, Harry W. T.; Wang, Zi-Chuan; Liu, Chao; Sun, Zhong-Ming; McGrady, John E.","Structural isomerism in the [(Ni@Sn<sub>9</sub>)In(Ni@Sn<sub>9</sub>)]<sup>5-</sup> Zintl ion.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15888","15895","10.1039/c9dt03008e","","","0.71073","MoKα","","0.1742","0.0946","","","0.2216","0.2552","","","","","","1.092","","","","has coordinates","224027","2020-10-21","18:00:00",""
"7701313","19.1733","0.0005","19.1733","0.0005","19.1733","0.0005","90","","90","","90","","7048.4","0.3","","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Ce-HHU-1","- C66.24 Ce24 O144.64 -","- C66.24 Ce24 O144.64 -","- C66.24 Ce24 O144.64 -","1","0.00520833","","Matemb Ma Ntep, Tobie J.; Reinsch, Helge; Liang, Jun; Janiak, Christoph","Acetylenedicarboxylate-based cerium(iv) metal-organic framework with fcu topology: a potential material for air cleaning from toxic halogen vapors.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15849","15855","10.1039/c9dt03518d","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","224026","2020-10-21","18:00:00",""
"7701314","8.284","0.005","16.928","0.005","17.992","0.005","73.206","0.005","82.343","0.005","86.259","0.005","2392.9","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H94 Dy2 N12 O20 S6 -","- C90 H94 Dy2 N12 O20 S6 -","- C90 H94 Dy2 N12 O20 S6 -","1","0.5","","Huang, Gang; Yi, Xiaohui; Gendron, Frederic; Le Guennic, Boris; Guizouarn, Thierry; Daiguebonne, Carole; Calvez, Guillaume; Suffren, Yan; Guillou, Olivier; Bernot, Kevin","A supramolecular chain of dimeric Dy single molecule magnets decorated with azobenzene ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16053","16061","10.1039/c9dt03540k","","","0.71069","MoKα","","0.0252","0.0219","","","0.065","0.0786","","","","","","1.189","","","","has coordinates","224018","2020-10-21","18:00:00",""
"7701315","10.86","0.005","12.285","0.005","18.398","0.005","80.396","0.005","87.575","0.005","68.761","0.005","2255.3","1.5","373","2","373.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H65 Eu N2 O6 -","- C45 H65 Eu N2 O6 -","- C90 H130 Eu2 N4 O12 -","2","1","","Alexander, Orbett T.; Kroon, Robin E.; Brink, Alice; Visser, Hendrik G.","Symmetry correlations between crystallographic and photoluminescence study of ternary β-diketone europium(iii) based complexes using 1,10-phenanthroline as the ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16074","16082","10.1039/c9dt02580d","","","0.71069","MoKα","","0.0272","0.0235","","","0.0551","0.0569","","","","","","1.053","","","","has coordinates,has disorder","224023","2020-10-21","18:00:00",""
"7701316","10.761","0.005","11.865","0.005","12.275","0.005","105.044","0.005","93.811","0.005","112.908","0.005","1369.2","1","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Eu2 N4 O12 -","- C66 H46 Eu2 N4 O12 -","- C66 H46 Eu2 N4 O12 -","1","0.5","","Alexander, Orbett T.; Kroon, Robin E.; Brink, Alice; Visser, Hendrik G.","Symmetry correlations between crystallographic and photoluminescence study of ternary β-diketone europium(iii) based complexes using 1,10-phenanthroline as the ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16074","16082","10.1039/c9dt02580d","","","0.71069","MoKα","","0.0214","0.0194","","","0.0458","0.0468","","","","","","1.076","","","","has coordinates","224023","2020-10-21","18:00:00",""
"7701317","12.097","0.003","18.354","0.005","21.031","0.005","90","","75.889","0.008","90","","4529","2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H23 Cl3 Eu F9 N2 O6 -","- C42 H23 Cl3 Eu F9 N2 O6 -","- C168 H92 Cl12 Eu4 F36 N8 O24 -","4","1","","Alexander, Orbett T.; Kroon, Robin E.; Brink, Alice; Visser, Hendrik G.","Symmetry correlations between crystallographic and photoluminescence study of ternary β-diketone europium(iii) based complexes using 1,10-phenanthroline as the ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16074","16082","10.1039/c9dt02580d","","","0.71073","MoKα","","0.1936","0.0915","","","0.2394","0.3598","","","","","","1.099","","","","has coordinates,has disorder","224023","2020-10-21","18:00:00",""
"7701318","10.2595","0.0019","11.748","0.002","20.722","0.004","104.056","0.006","92.793","0.006","111.557","0.005","2226.8","0.7","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C82 H112 F12 N20 O2 P2 Pd -","- C82 H112 F12 N20 O2 P2 Pd -","- C82 H112 F12 N20 O2 P2 Pd -","1","0.5","","Schlagintweit, Jonas F.; Nguyen, Linda; Dyckhoff, Florian; Kaiser, Felix; Reich, Robert M.; Kühn, Fritz E","Exploring different coordination modes of the first tetradentate NHC/1,2,3-triazole hybrid ligand for group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14820","14828","10.1039/c9dt03430g","","x-ray","0.71073","MoKα","","0.0897","0.0851","","","0.2143","0.2181","","","","","","1.097","","","","has coordinates,has disorder","219145","2020-10-21","18:00:00",""
"7701319","9.9082","0.0015","11.862","0.002","19.211","0.003","97.837","0.005","93.258","0.005","106.98","0.005","2128.1","0.6","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C74 H92 F12 N20 Ni P2 -","- C74 H92 F12 N20 Ni P2 -","- C74 H92 F12 N20 Ni P2 -","1","0.5","","Schlagintweit, Jonas F.; Nguyen, Linda; Dyckhoff, Florian; Kaiser, Felix; Reich, Robert M.; Kühn, Fritz E","Exploring different coordination modes of the first tetradentate NHC/1,2,3-triazole hybrid ligand for group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14820","14828","10.1039/c9dt03430g","","x-ray","0.71073","MoKα","","0.0582","0.0398","","","0.0903","0.0976","","","","","","1.024","","","","has coordinates,has disorder","219145","2020-10-21","18:00:00",""
"7701320","15.1615","0.0018","15.3391","0.0019","23.869","0.003","104.258","0.003","92.735","0.003","116.887","0.003","4716.5","1","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C38.2 H48.99 F12 N10 O0.3 P2 Pd -","- C38.198 H48.995 F11.997 N10 O0.2995 P1.9995 Pd -","- C152.792 H195.98 F47.988 N40 O1.198 P7.998 Pd4 -","4","2","","Schlagintweit, Jonas F.; Nguyen, Linda; Dyckhoff, Florian; Kaiser, Felix; Reich, Robert M.; Kühn, Fritz E","Exploring different coordination modes of the first tetradentate NHC/1,2,3-triazole hybrid ligand for group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14820","14828","10.1039/c9dt03430g","","x-ray","0.71073","MoKα","","0.0915","0.0467","","","0.0982","0.1149","","","","","","1.015","","","","has coordinates,has disorder","219145","2020-10-21","18:00:00",""
"7701321","12.0868","0.0006","15.3515","0.0007","12.4671","0.0006","90","","102.504","0.001","90","","2258.41","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cu2 Mo8 N6 O28 -","- C30 H22 Cu2 Mo8 N6 O28 -","- C60 H44 Cu4 Mo16 N12 O56 -","2","0.5","","Zhou, wanli; Liu, Ping; Zheng, yanping; Liu, Xuekun; Zhang, Yong; Yuan, Gang; Peng, Jun","Four new dual-functional electro-catalysts formed of small molybdenum clusters and Cu-pyridyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03560E","","","0.71073","MoKα","","0.1175","0.0701","","","0.1209","0.1364","","","","","","1.066","","","","has coordinates","219146","2020-10-21","18:00:00",""
"7701322","7.633","0.005","10.979","0.005","11.349","0.005","77.076","0.005","85.384","0.005","74.767","0.005","894.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cu Mo3 N5 O11 -","- C11 H11 Cu Mo3 N5 O11 -","- C22 H22 Cu2 Mo6 N10 O22 -","2","1","","Zhou, wanli; Liu, Ping; Zheng, yanping; Liu, Xuekun; Zhang, Yong; Yuan, Gang; Peng, Jun","Four new dual-functional electro-catalysts formed of small molybdenum clusters and Cu-pyridyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03560E","","","0.71069","MoKα","","0.0252","0.0241","","","0.0615","0.0621","","","","","","1.023","","","","has coordinates","219146","2020-10-21","18:00:00",""
"7701323","9.638","0.005","14.761","0.005","15.417","0.005","90","","104.889","0.005","90","","2119.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cu Mo4 N5 O14 -","- C11 H9 Cu Mo4 N5 O14 -","- C44 H36 Cu4 Mo16 N20 O56 -","4","1","","Zhou, wanli; Liu, Ping; Zheng, yanping; Liu, Xuekun; Zhang, Yong; Yuan, Gang; Peng, Jun","Four new dual-functional electro-catalysts formed of small molybdenum clusters and Cu-pyridyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03560E","","","0.71069","MoKα","","0.0914","0.071","","","0.1537","0.1652","","","","","","1.079","","","","has coordinates","219146","2020-10-21","18:00:00",""
"7701324","12.531","0.005","13.19","0.005","13.589","0.005","77.378","0.005","89.683","0.005","89.474","0.005","2191.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22.5 Cu2 Mo8 N6 O26.25 -","- C30 H22 Cu2 Mo8 N6 O26.25 -","- C60 H44 Cu4 Mo16 N12 O52.5 -","2","1","","Zhou, wanli; Liu, Ping; Zheng, yanping; Liu, Xuekun; Zhang, Yong; Yuan, Gang; Peng, Jun","Four new dual-functional electro-catalysts formed of small molybdenum clusters and Cu-pyridyl complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03560E","","","0.71069","MoKα","","0.0486","0.0357","","","0.0878","0.0947","","","","","","1.01","","","","has coordinates","219146","2020-10-21","18:00:00",""
"7701325","27.1076","0.0007","7.1263","0.0002","19.486","0.0005","90","","102.529","0.002","90","","3674.6","0.17","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H26 B11 Cu N2 -","- C9 H26 B11 Cu N2 -","- C72 H208 B88 Cu8 N16 -","8","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","1.34139","GaKα","","0.094","0.0485","","","0.0841","0.1006","","","","","","1.013","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701326","11.997","0.0007","15.5376","0.0007","17.7707","0.0008","90","","92.697","0.005","90","","3308.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H54 B11 Cu P2 -","- C21 H54 B11 Cu P2 -","- C84 H216 B44 Cu4 P8 -","4","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0705","0.0424","","","0.0947","0.1107","","","","","","1.018","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701327","12.5248","0.0008","12.9185","0.0008","18.8957","0.0009","106.031","0.005","97.416","0.004","104.435","0.005","2780.6","0.3","150.1","","150.1","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H57 B11 Cu P3 -","- C57 H57 B11 Cu P3 -","- C114 H114 B22 Cu2 P6 -","2","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0918","0.0613","","","0.1447","0.1726","","","","","","1.034","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701328","8.2894","0.0007","11.3934","0.001","11.7893","0.001","71.393","0.007","79.489","0.007","70.38","0.008","990.43","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 B11 Cu N2 -","- C13 H22 B11 Cu N2 -","- C26 H44 B22 Cu2 N4 -","2","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0539","0.0435","","","0.0959","0.1032","","","","","","1.05","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701329","10.0994","0.0008","11.236","0.0009","11.732","0.0009","66.212","0.007","75.011","0.007","89.796","0.007","1169.09","0.18","168.3","","168.3","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 B11 Cu F6 N2 -","- C15 H20 B11 Cu F6 N2 -","- C30 H40 B22 Cu2 F12 N4 -","2","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0674","0.0504","","","0.1142","0.1302","","","","","","1.046","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701330","12.8275","0.0007","10.7515","0.0005","17.3597","0.0009","90","","108.206","0.002","90","","2274.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B11 Cu N2 -","- C15 H26 B11 Cu N2 -","- C60 H104 B44 Cu4 N8 -","4","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.1324","0.0707","","","0.0875","0.1107","","","","","","1.068","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701331","15.7282","0.0009","10.9616","0.0006","17.0109","0.0014","90","","97.622","0.006","90","","2906.9","0.3","293","2","293.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H86 B22 Cu2 N2 O2 P2 Pd -","- C32 H86 B22 Cu2 N2 O2 P2 Pd -","- C64 H172 B44 Cu4 N4 O4 P4 Pd2 -","2","0.5","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0904","0.0524","","","0.1148","0.1381","","","","","","1.03","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701332","15.7322","0.0006","10.937","0.0005","16.9807","0.0011","90","","97.802","0.005","90","","2894.7","0.3","293","2","293.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H86 B22 Cu2 N2 O2 P2 Pt -","- C32 H86 B22 Cu2 N2 O2 P2 Pt -","- C64 H172 B44 Cu4 N4 O4 P4 Pt2 -","2","0.5","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0648","0.0464","","","0.0998","0.113","","","","","","1.059","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701333","33.205","0.004","11.124","0.001","22.362","0.003","90","","110.903","0.016","90","","7716.3","1.8","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H62 B22 N2 -","- C22 H62 B22 N2 -","- C176 H496 B176 N16 -","8","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.1528","0.0904","","","0.2466","0.3023","","","","","","1.037","","","","has coordinates,has disorder","219231","2020-10-21","18:00:00",""
"7701334","8.3718","0.0008","11.5149","0.0011","13.4954","0.0009","102.473","0.007","106.926","0.007","107.523","0.009","1119.2","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H26 B11 Cu N2 -","- C15 H26 B11 Cu N2 -","- C30 H52 B22 Cu2 N4 -","2","1","","Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes","Dalton Transactions","2019","","","","","10.1039/C9DT03272J","","","0.71073","MoKα","","0.0606","0.0468","","","0.1036","0.1155","","","","","","1.047","","","","has coordinates","219231","2020-10-21","18:00:00",""
"7701335","9.9185","0.0002","14.9484","0.0004","16.3217","0.0004","97.5508","0.001","105.188","0.0008","102.492","0.0008","2234.25","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 Mo N O5 P -","- C51 H58 Mo N O5 P -","- C102 H116 Mo2 N2 O10 P2 -","2","1","","Tran, Randy; Kilyanek, Stefan M.","Deoxydehydration of Polyols Catalyzed by a Molybdenum Di-oxo-Complex Supported by a Dianionic ONO Pincer Ligand.","Dalton Transactions","2019","","","","","10.1039/C9DT03759D","","","0.71073","MoKα","","0.0357","0.0288","","","0.0703","0.0744","","","","","","1.007","","","","has coordinates","219232","2020-10-21","18:00:00",""
"7701336","17.6718","0.0006","11.7729","0.0004","16.8857","0.0006","90","","118.475","0.0014","90","","3088.05","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Mo N O4 -","- C33 H43 Mo N O4 -","- C132 H172 Mo4 N4 O16 -","4","1","","Tran, Randy; Kilyanek, Stefan M.","Deoxydehydration of Polyols Catalyzed by a Molybdenum Di-oxo-Complex Supported by a Dianionic ONO Pincer Ligand.","Dalton Transactions","2019","","","","","10.1039/C9DT03759D","","","0.71073","MoKα","","0.0572","0.0342","","","0.0829","0.1013","","","","","","1.003","","","","has coordinates","219232","2020-10-21","18:00:00",""
"7701337","8.798","0.0014","9.4558","0.0018","9.943","0.0015","86.776","0.015","73.162","0.014","63.012","0.018","702.8","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cu F12 N4 O6 -","- C22 H14 Cu F12 N4 O6 -","- C22 H14 Cu F12 N4 O6 -","1","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0997","0.0704","","","0.1761","0.1927","","","","","","1.042","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701338","8.571","0.0004","8.6068","0.0005","10.9486","0.0006","96.577","0.005","106.692","0.006","102.284","0.005","742.49","0.08","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cu F12 N4 O6 -","- C24 H18 Cu F12 N4 O6 -","- C24 H18 Cu F12 N4 O6 -","1","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0572","0.0421","","","0.1036","0.1112","","","","","","1.039","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701339","6.9635","0.0012","10.0912","0.0014","10.3229","0.0016","69.049","0.014","80.726","0.014","83.957","0.015","667.68","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cu F12 N4 O6 -","- C22 H14 Cu F12 N4 O6 -","- C22 H14 Cu F12 N4 O6 -","1","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0551","0.0461","","","0.1261","0.1309","","","","","","1.119","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701340","8.9094","0.0002","8.9094","0.0002","33.9781","0.0012","90","","90","","90","","2697.09","0.13","200","","200","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C24 H24 Cu F6 N4 O6 -","- C24 H24 Cu F6 N4 O6 -","- C96 H96 Cu4 F24 N16 O24 -","4","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0488","0.0413","","","0.0985","0.1035","","","","","","1.056","","","","has coordinates","219233","2020-10-21","18:00:00",""
"7701341","8.5478","0.0004","9.2084","0.0004","10.0669","0.0005","114.584","0.004","99.527","0.004","98.514","0.004","689.52","0.06","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cu F6 N4 O6 -","- C24 H24 Cu F6 N4 O6 -","- C24 H24 Cu F6 N4 O6 -","1","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0369","0.0336","","","0.0922","0.0952","","","","","","1.104","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701342","9.0451","0.0004","10.1886","0.0005","10.3628","0.0004","105.03","0.004","97.391","0.004","93.535","0.004","910.16","0.07","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H22 Cu F12 N4 O6 -","- C34 H22 Cu F12 N4 O6 -","- C34 H22 Cu F12 N4 O6 -","1","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.053","0.0432","","","0.1118","0.1182","","","","","","1.036","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701343","10.3647","0.0002","9.6311","0.0002","17.9637","0.0005","90","","100.92","0.002","90","","1760.73","0.07","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cu F6 N4 O6 -","- C34 H28 Cu F6 N4 O6 -","- C68 H56 Cu2 F12 N8 O12 -","2","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0385","0.0329","","","0.086","0.0897","","","","","","1.081","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701344","11.3294","0.0005","22.7479","0.0006","7.3599","0.0003","90","","103.836","0.004","90","","1841.76","0.12","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Cu F12 N4 O6 -","- C34 H22 Cu F12 N4 O6 -","- C68 H44 Cu2 F24 N8 O12 -","2","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.057","0.0431","","","0.1063","0.1136","","","","","","1.037","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701345","6.7979","0.0006","10.8757","0.0006","11.5285","0.0008","117.344","0.006","90.254","0.007","98.312","0.006","746.7","0.1","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cu F12 N4 O6 -","- C24 H18 Cu F12 N4 O6 -","- C24 H18 Cu F12 N4 O6 -","1","0.5","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0681","0.0467","","","0.0989","0.1078","","","","","","1.028","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701346","6.7411","0.0003","15.966","0.0008","18.5837","0.0006","90","","94.453","0.003","90","","1994.1","0.15","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu F6 N2 O5 -","- C16 H14 Cu F6 N2 O5 -","- C64 H56 Cu4 F24 N8 O20 -","4","1","","Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana","Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03346g","","","0.71073","MoKα","","0.0693","0.0495","","","0.134","0.1484","","","","","","1.047","","","","has coordinates,has disorder","219233","2020-10-21","18:00:00",""
"7701347","9.27289","0.00009","6.80022","0.00007","11.22194","0.00017","90","","121.232","0.0008","90","","605.076","0.014","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ca(CH3-COO)(HCOO)*H2O","","","- C3 H6 Ca O5 -","- C3 H Ca O5 -","- C12 H4 Ca4 O20 -","4","1","","Bette, Sebastian; Müller, Michael X; Eggert, Gerhard; Schleid, Thomas; Dinnebier, Robert E.","Efflorescence on calcareous objects in museums: crystallisation, phase characterisation and crystal structures of calcium acetate formate phases.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16062","16073","10.1039/c9dt03558c","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0085","","","","","","","","","has coordinates","224029","2020-10-21","18:00:00",""
"7701348","6.86548","0.00005","6.86548","0.00005","45.5454","0.0006","90","","90","","90","","2146.77","0.04","298","","298","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Ca3(CH3-COO)4(HCOO)2*4H2O","","","- C10 H22 Ca3 O16 -","- C10 H2 Ca3 O16 -","- C40 H8 Ca12 O64 -","4","0.5","","Bette, Sebastian; Müller, Michael X; Eggert, Gerhard; Schleid, Thomas; Dinnebier, Robert E.","Efflorescence on calcareous objects in museums: crystallisation, phase characterisation and crystal structures of calcium acetate formate phases.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16062","16073","10.1039/c9dt03558c","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0339","","","","","","","","","has coordinates","224029","2020-10-21","18:00:00",""
"7701349","11.8504","0.0001","16.914","0.0002","18.1946","0.0002","90","","103.479","0.001","90","","3546.43","0.07","150","2","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H58 N O2 Sc Si -","- C37 H58 N O2 Sc Si -","- C148 H232 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Constrained geometry scandium permethylindenyl complexes for the ring-opening polymerisation of l- and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16099","16107","10.1039/c9dt03450a","","x-ray","1.54184","CuKα","","0.0369","0.0327","","","0.0879","0.0912","","","","","","1.05","","","","has coordinates,has disorder","224035","2020-10-21","18:00:00",""
"7701350","8.695","0.0001","18.295","0.0002","17.0861","0.0002","90","","103.545","0.001","90","","2642.37","0.05","150","2","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B N O Sc Si -","- C25 H45 B N O Sc Si -","- C100 H180 B4 N4 O4 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Constrained geometry scandium permethylindenyl complexes for the ring-opening polymerisation of l- and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16099","16107","10.1039/c9dt03450a","","x-ray","1.54184","CuKα","","0.0304","0.0293","","","0.0913","0.0925","","","","","","0.833","","","","has coordinates","224035","2020-10-21","18:00:00",""
"7701351","8.8421","0.0001","17.8213","0.0002","24.1749","0.0004","90","","96.886","0.001","90","","3781.95","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 N O2 Sc Si -","- C39 H62 N O2 Sc Si -","- C156 H248 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Constrained geometry scandium permethylindenyl complexes for the ring-opening polymerisation of l- and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16099","16107","10.1039/c9dt03450a","","x-ray","1.54184","CuKα","","0.0449","0.0387","","","0.1049","0.1107","","","","","","1.035","","","","has coordinates,has disorder","224035","2020-10-21","18:00:00",""
"7701352","8.7022","0.0002","11.6296","0.0003","16.834","0.0004","74.6","0.001","79.863","0.001","89.045","0.001","1616.03","0.07","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 F4 Mn N20 O6 -","- C68 H68 F4 Mn N20 O6 -","- C68 H68 F4 Mn N20 O6 -","1","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Nikitina, Kristina; Alfonsov, Vladimir; Vandyukov, Alexander; Khrizanforov, Mikhail; Budnikova, Yulia H.; Sinyashin, Oleg Geroldovich; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Unusual donor-acceptor system MnIIPc-TCNQ/F4-TCNQ and the properties of the mixed single crystals of the metal phthalocyanines with organic acceptor molecules","Dalton Transactions","2019","","","","","10.1039/C9DT03642C","","","1.54178","CuKα","","0.0677","0.0572","","","0.1644","0.1779","","","","","","1.056","","","","has coordinates,has disorder","219266","2020-10-21","18:00:00",""
"7701353","8.761","0.0008","11.1909","0.001","17.2255","0.0015","71.657","0.006","76.151","0.005","87.937","0.006","1555","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H72 Mn N20 O6 -","- C68 H72 Mn N20 O6 -","- C68 H72 Mn N20 O6 -","1","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Nikitina, Kristina; Alfonsov, Vladimir; Vandyukov, Alexander; Khrizanforov, Mikhail; Budnikova, Yulia H.; Sinyashin, Oleg Geroldovich; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Unusual donor-acceptor system MnIIPc-TCNQ/F4-TCNQ and the properties of the mixed single crystals of the metal phthalocyanines with organic acceptor molecules","Dalton Transactions","2019","","","","","10.1039/C9DT03642C","","","0.71073","MoKα","","0.105","0.0638","","","0.1444","0.1651","","","","","","1.037","","","","has coordinates","219266","2020-10-21","18:00:00",""
"7701354","8.5252","0.0005","10.6614","0.0007","16.8696","0.001","74.183","0.004","75.806","0.003","85.511","0.004","1430.09","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Mn N16 O6 -","- C60 H60 Mn N16 O6 -","- C60 H60 Mn N16 O6 -","1","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Nikitina, Kristina; Alfonsov, Vladimir; Vandyukov, Alexander; Khrizanforov, Mikhail; Budnikova, Yulia H.; Sinyashin, Oleg Geroldovich; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Unusual donor-acceptor system MnIIPc-TCNQ/F4-TCNQ and the properties of the mixed single crystals of the metal phthalocyanines with organic acceptor molecules","Dalton Transactions","2019","","","","","10.1039/C9DT03642C","","","0.71073","MoKα","","0.1441","0.0707","","","0.1634","0.2006","","","","","","1.015","","","","has coordinates,has disorder","219266","2020-10-21","18:00:00",""
"7701356","12.352","0.003","12.479","0.003","17.703","0.004","90","","107.151","0.002","90","","2607.4","1.1","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Fe2 N2 O6 P2 -","- C24 H26 Fe2 N2 O6 P2 -","- C96 H104 Fe8 N8 O24 P8 -","4","1","","Shimamura, Takehiko; Maeno, Yuki; Kubo, Kazuyuki; Kume, Shoko; Greco, Claudio; Mizuta, Tsutomu","Protonation and Electrochemical Properties of Bisphosphide Diiron Hexacarbonyl Complex Bearing Amino Groups on the Bridge","Dalton Transactions","2019","","","","","10.1039/C9DT03427G","","","0.71073","MoKa","","0.0293","0.025","","","0.0644","0.0669","","","","","","1.039","","","","has coordinates","219306","2020-10-21","18:00:00",""
"7701357","11.2811","0.0007","17.899","0.0009","14.2259","0.0008","90","","109.443","0.006","90","","2708.7","0.3","130","2","130","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C56 H57 Cl I Mn N3 O4 P4 -","- C56 H57 Cl I Mn N3 O4 P4 -","- C112 H114 Cl2 I2 Mn2 N6 O8 P8 -","2","1","","Artem'ev, Alexander; Davydova, Maria; Berezin, Alexey S.; Brel, Valery K.; Morgalyuk, Vasilii; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.","Luminescence of Mn2+ ion in non-Oh and Td coordination environments: the missing case of square-pyramid","Dalton Transactions","2019","","","","","10.1039/C9DT03283E","","x-ray","0.71073","MoKα","","0.0293","0.0269","","","0.0622","0.0642","","","","","","1.036","","","","has coordinates","219307","2020-10-21","18:00:00",""
"7701358","14.136","0.0013","14.4046","0.001","14.9017","0.0013","63.853","0.003","86.986","0.004","84.516","0.004","2711.2","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Complex of manganese(II) bromide with [(dimethylamino)methylene] bis(diphenylphosphine oxide)","","- C54 H54 Br2 Mn N2 O4 P4 -","- C54 H54 Br2 Mn N2 O4 P4 -","- C108 H108 Br4 Mn2 N4 O8 P8 -","2","1","","Artem'ev, Alexander; Davydova, Maria; Berezin, Alexey S.; Brel, Valery K.; Morgalyuk, Vasilii; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.","Luminescence of Mn2+ ion in non-Oh and Td coordination environments: the missing case of square-pyramid","Dalton Transactions","2019","","","","","10.1039/C9DT03283E","","","0.71073","MoKα","","0.1104","0.0777","","","0.2297","0.2378","","","","","","1.056","","","","has coordinates","219307","2020-10-21","18:00:00",""
"7701359","17.7199","0.0007","20.7944","0.0009","21.1999","0.0009","88.311","0.002","85.202","0.002","68.366","0.002","7235.9","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Complex of manganese(II) chloride with [(dimethylamino)methylene] bis(diphenylphosphine oxide)","","- C135 H135 Cl6 Mn3 N5 O10 P10 -","- C135 H135 Cl6 Mn3 N5 O10 P10 -","- C270 H270 Cl12 Mn6 N10 O20 P20 -","2","1","","Artem'ev, Alexander; Davydova, Maria; Berezin, Alexey S.; Brel, Valery K.; Morgalyuk, Vasilii; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.","Luminescence of Mn2+ ion in non-Oh and Td coordination environments: the missing case of square-pyramid","Dalton Transactions","2019","","","","","10.1039/C9DT03283E","","","0.71073","MoKα","","0.1421","0.0702","","","0.1492","0.1836","","","","","","1.019","","","","has coordinates","219307","2020-10-21","18:00:00",""
"7701360","6.3441","0.0003","7.5949","0.0003","9.343","0.0004","90","","94.546","0.004","90","","448.76","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li Mo O6 P -","- Li Mo O6 P -","- Li4 Mo4 O24 P4 -","4","1","","Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng","Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6","Dalton Transactions","2019","","","","","10.1039/C9DT03451J","","","0.71073","MoKα","","0.0214","0.02","","","0.0478","0.0489","","","","","","1.092","","","","has coordinates","219315","2020-10-21","18:00:00",""
"7701361","12.1141","0.0004","8.9251","0.0003","8.7389","0.0003","90","","90","","90","","944.85","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Li Mo O6 P -","- Li Mo O6 P -","- Li8 Mo8 O48 P8 -","8","1","","Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng","Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6","Dalton Transactions","2019","","","","","10.1039/C9DT03451J","","","0.71073","MoKα","","0.0163","0.0153","","","0.0345","0.0348","","","","","","1.11","","","","has coordinates","219315","2020-10-21","18:00:00",""
"7701362","13.995","0.003","8.052","0.004","13.996","0.004","90","","108.68","0.02","90","","1494.1","0.9","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cr K N8 -","- C8 H12 Cr K N8 -","- C32 H48 Cr4 K4 N32 -","4","0.5","","Rok, Magdalena; Moskwa, Marcin; Dzialowa, Marta; Bieńko, Alina; Rajnák, Cyril; Boca, Roman; Bator, Grazyna","Multifunctional materials based on double-perovskite organic-inorganic hybrid (CH3NH3)2[KCr(CN)6] showing switchable dielectric, magnetic and semiconducting behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03553B","","","0.71073","MoKα","","0.0346","0.0338","","","0.0851","0.0862","","","","","","1.13","","","","has coordinates","219345","2020-10-21","18:00:00",""
"7701363","23.669","0.002","26.279","0.002","10.8841","0.001","90","","90","","90","","6769.9","1","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C65 H61 Cl5 Mn N9 O12 -","- C65 H61 Cl5 Mn N9 O12 -","- C260 H244 Cl20 Mn4 N36 O48 -","4","0.5","","Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier","Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.","Dalton Transactions","2019","","","","","10.1039/C9DT03765A","","","1.54178","CuKα","","0.0855","0.0786","","","0.2417","0.252","","","","","","1.07","","","","has coordinates","219346","2020-10-21","18:00:00",""
"7701364","23.6584","0.0019","26.203","0.002","10.5621","0.0007","90","","90","","90","","6547.7","0.8","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C66 H70 Cl5 Mn N8 O10 -","- C66 H70 Cl5 Mn N8 O10 -","- C264 H280 Cl20 Mn4 N32 O40 -","4","0.5","","Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier","Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.","Dalton Transactions","2019","","","","","10.1039/C9DT03765A","","","1.54178","CuKα","","0.1415","0.0991","","","0.2955","0.326","","","","","","1.04","","","","has coordinates","219346","2020-10-21","18:00:00",""
"7701365","13.5314","0.0015","11.6837","0.0015","11.0973","0.0014","109.547","0.006","117.302","0.01","89.773","0.012","1445.6","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H60 Cl2 Mn N8 O10 -","- C58 H60 Cl2 Mn N8 O10 -","- C58 H60 Cl2 Mn N8 O10 -","1","0.5","","Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier","Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.","Dalton Transactions","2019","","","","","10.1039/C9DT03765A","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","219346","2020-10-21","18:00:00",""
"7701366","29.1488","0.0006","16.3089","0.0004","28.5179","0.0006","90","","91.799","0.001","90","","13550.3","0.5","150","2","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H184 Ag13 Cl N4 O12 Si8 -","- C112 H184 Ag13 Cl N4 O12 Si8 -","- C448 H736 Ag52 Cl4 N16 O48 Si32 -","4","0.5","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.0473","0.0335","","","0.0776","0.0859","","","","","","1.049","","","","has coordinates,has disorder","219347","2020-10-21","18:00:00",""
"7701367","16.465","0.006","24.276","0.009","13.433","0.005","90","","126.986","0.006","90","","4289","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Ag4 Cl N O6 -","- C16 H18 Ag4 Cl N O6 -","- C128 H144 Ag32 Cl8 N8 O48 -","8","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.1031","0.0603","","","0.146","0.1711","","","","","","1.027","","","","has coordinates,has disorder","219347","2020-10-21","18:00:00",""
"7701368","38.814","0.006","53.264","0.008","9.9806","0.0015","90","","90","","90","","20634","5","150","2","150.15","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H50 Ag7 F3 N2 O8 S -","- C39 H50 Ag7 F3 N2 O8 S -","- C624 H800 Ag112 F48 N32 O128 S16 -","16","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.0768","0.0645","","","0.1276","0.1321","","","","","","1.119","","","","has coordinates","219347","2020-10-21","18:00:00",""
"7701369","16.489","0.003","18.767","0.004","25.47","0.005","90","","90","","90","","7882","3","123","2","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H68 Ag10 Cl3 N3 O24 S6 -","- C62 H68 Ag10 Cl3 N3 O24 S6 -","- C248 H272 Ag40 Cl12 N12 O96 S24 -","4","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.1226","0.073","","","0.1636","0.1893","","","","","","1.082","","","","has coordinates,has disorder","219347","2020-10-21","18:00:00",""
"7701370","13.969","0.003","15.629","0.003","20.922","0.004","74.668","0.002","77.661","0.002","84.863","0.002","4300.8","1.5","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H86 Ag15 Cl N4 O12 -","- C74 H86 Ag15 Cl N4 O12 -","- C148 H172 Ag30 Cl2 N8 O24 -","2","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.1275","0.077","","","0.2092","0.2591","","","","","","1.026","","","","has coordinates","219347","2020-10-21","18:00:00",""
"7701371","22.973","0.008","19.99","0.009","15.639","0.005","90","","129.995","0.01","90","","5502","4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Ag9 F6 N4 O14 S2 -","- C38 H34 Ag9 F6 N4 O14 S2 -","- C152 H136 Ag36 F24 N16 O56 S8 -","4","0.5","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.0884","0.0462","","","0.0916","0.1043","","","","","","1.03","","","","has coordinates","219347","2020-10-21","18:00:00",""
"7701372","16.217","0.004","16.611","0.004","29.328","0.006","91.328","0.007","94.827","0.007","117.772","0.007","6948","3","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C116 H192 Ag13 Cl N4 O12 Si8 -","- C116 H192 Ag13 Cl N4 O12 Si8 -","- C232 H384 Ag26 Cl2 N8 O24 Si16 -","2","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.1048","0.0864","","","0.2332","0.253","","","","","","1.133","","","","has coordinates","219347","2020-10-21","18:00:00",""
"7701375","29.021","0.003","15.1844","0.0015","21.2695","0.0018","90","","127.401","0.004","90","","7445.8","1.3","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 N2 O12 Zn3 -","- C35 H22 N2 O12 Zn3 -","- C280 H176 N16 O96 Zn24 -","8","1","","Wang, Xiaoqing; Feng, Dou-Dou; Tang, Jing; Zhao, Yu-Di; Li, Jun; Yang, Jie; Kim, Chan Kyung; Su, Feng","A Water-Stable Zinc(II)-Organic Framework as a Multiresponsive Luminescent Sensor for Toxic Heavy Metal Cations, Oxyanions and Organochlorine Pesticides in Aqueous Solution","Dalton Transactions","2019","","","","","10.1039/C9DT03195B","","","0.71073","MoKα","","0.1635","0.0659","","","0.1248","0.1489","","","","","","0.78","","","","has coordinates","219377","2020-10-21","18:00:00",""
"7701376","24.4726","0.0012","6.3315","0.0003","22.0593","0.001","90","","90.63","0.005","90","","3417.8","0.3","120","0.1","120","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C27 H11 Ag3 F18 N6 S -","- C26.9988 H10.9992 Ag3 F18 N6 S0.9999 -","- C107.995 H43.9968 Ag12 F72 N24 S3.9996 -","4","0.5","","Liu, Rongrong; Zhang, Wen-Hua; Wei, Donghui; Chen, Jing-Huo; Yang, Guang","Adducts of Triangular Silver(I) 3,5-Bis(trifluoromethyl)pyrazolate with Thiophene-Derivatives: A Weak Interaction Model of Desulfurization","Dalton Transactions","2019","","","","","10.1039/C9DT03344K","","x-ray","0.71073","MoKα","","0.0984","0.0743","","","0.1655","0.1843","","","","","","1.071","","","","has coordinates,has disorder","219378","2020-10-21","18:00:00",""
"7701377","13.1618","0.0008","15.6344","0.0009","15.6527","0.0009","83.7474","0.0007","65.3474","0.0007","65.8734","0.0006","2664.3","0.3","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C29 H15 Ag3 F18 N6 S -","- C29 H15 Ag3 F18 N6 S -","- C87 H45 Ag9 F54 N18 S3 -","3","3","","Liu, Rongrong; Zhang, Wen-Hua; Wei, Donghui; Chen, Jing-Huo; Yang, Guang","Adducts of Triangular Silver(I) 3,5-Bis(trifluoromethyl)pyrazolate with Thiophene-Derivatives: A Weak Interaction Model of Desulfurization","Dalton Transactions","2019","","","","","10.1039/C9DT03344K","","","0.71073","MoKα","","0.0476","0.0443","","","0.107","0.1088","","","","","","1.056","","","","has coordinates,has disorder","219378","2020-10-21","18:00:00",""
"7701378","7.7008","0.0001","10.1698","0.0002","40.8111","0.0007","90","","92.2883","0.0006","90","","3193.6","0.09","298.15","0.1","298.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H9 Ag3 F18 N6 S -","- C23 H9 Ag3 F18 N6 S -","- C92 H36 Ag12 F72 N24 S4 -","4","1","","Liu, Rongrong; Zhang, Wen-Hua; Wei, Donghui; Chen, Jing-Huo; Yang, Guang","Adducts of Triangular Silver(I) 3,5-Bis(trifluoromethyl)pyrazolate with Thiophene-Derivatives: A Weak Interaction Model of Desulfurization","Dalton Transactions","2019","","","","","10.1039/C9DT03344K","","","0.71073","MoKα","","0.1022","0.0643","","","0.1842","0.2089","","","","","","1.024","","","","has coordinates,has disorder","219378","2020-10-21","18:00:00",""
"7701379","21.9258","0.0005","13.2224","0.0003","23.7561","0.0006","90","","105.292","0.0009","90","","6643.3","0.3","298.15","0.1","298.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Ag3 F18 N6 S -","- C21 H11 Ag3 F18 N6 S -","- C168 H88 Ag24 F144 N48 S8 -","8","2","","Liu, Rongrong; Zhang, Wen-Hua; Wei, Donghui; Chen, Jing-Huo; Yang, Guang","Adducts of Triangular Silver(I) 3,5-Bis(trifluoromethyl)pyrazolate with Thiophene-Derivatives: A Weak Interaction Model of Desulfurization","Dalton Transactions","2019","","","","","10.1039/C9DT03344K","","","0.71073","MoKα","","0.1275","0.0551","","","0.1346","0.1705","","","","","","1.006","","","","has coordinates,has disorder","219378","2020-10-21","18:00:00",""
"7701380","24.684","0.005","8.277","0.005","22.505","0.005","90","0.005","121.662","0.005","90","0.005","3914","3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl8 N4 Pt0.9 -","- C36 H36 Cl8 N4 Pt0.9 -","- C144 H144 Cl32 N16 Pt3.6 -","4","0.5","","Rehm, Tobias; Rothemund, Matthias; Dietel, Thomas; Kempe, Rhett; Schobert, Rainer","Synthesis, structures and cytotoxic effects in vitro of cis- and trans-[PtIVCl4(NHC)2] complexes and their PtII precursors","Dalton Transactions","2019","","","","","10.1039/C9DT02438G","","","0.71069","MoKα","","0.0823","0.0554","","","0.1414","0.163","","","","","","0.987","","","","has coordinates","219379","2020-10-21","18:00:00",""
"7701381","8.6162","0.0017","12.2","0.002","17.892","0.004","104.49","0.03","95.13","0.03","104.88","0.03","1736","0.7","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H45 Cl5 N4 Pt -","- C31 H45 Cl5 N4 Pt -","- C62 H90 Cl10 N8 Pt2 -","2","1","","Rehm, Tobias; Rothemund, Matthias; Dietel, Thomas; Kempe, Rhett; Schobert, Rainer","Synthesis, structures and cytotoxic effects in vitro of cis- and trans-[PtIVCl4(NHC)2] complexes and their PtII precursors","Dalton Transactions","2019","","","","","10.1039/C9DT02438G","","","0.71073","MoKα","","0.0213","0.0175","","","0.0372","0.0382","","","","","","1.0402","","","","has coordinates","219379","2020-10-21","18:00:00",""
"7701382","11.79","0.03","13.35","0.03","16.23","0.05","90","","110.65","0.04","90","","2390","11","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Dy2 N8 Ni2 O22 -","- C38 H40 Dy2 N8 Ni2 O22 -","- C76 H80 Dy4 N16 Ni4 O44 -","2","0.5","","Mo, Kai-Qiang; Zhu, Zhonghong; Wang, Hai-Ling; Ma, Xiong-Feng; Peng, Jin-Mei; Zou, Hua-Hong; Bai, Juan; Liang, Fu-Pei","Substituents Lead to Differences in the Formation of Two Different Butterfly-shaped NiⅡ2DyⅢ2 Clusters: Structures and Multistep Assembly Mechanisms","Dalton Transactions","2019","","","","","10.1039/C9DT03795K","","","0.71073","MoKα","","0.1173","0.0771","","","0.1957","0.2368","","","","","","1.137","","","","has coordinates","219390","2020-10-21","18:00:00",""
"7701383","27.76","0.006","13.88","0.003","16.57","0.003","90","","106.25","0.03","90","","6130","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 Dy2 N8 Ni2 O24 -","- C42 H54 Dy2 N8 Ni2 O23.98 -","- C168 H216 Dy8 N32 Ni8 O95.92 -","4","0.5","","Mo, Kai-Qiang; Zhu, Zhonghong; Wang, Hai-Ling; Ma, Xiong-Feng; Peng, Jin-Mei; Zou, Hua-Hong; Bai, Juan; Liang, Fu-Pei","Substituents Lead to Differences in the Formation of Two Different Butterfly-shaped NiⅡ2DyⅢ2 Clusters: Structures and Multistep Assembly Mechanisms","Dalton Transactions","2019","","","","","10.1039/C9DT03795K","","","0.71073","MoKα","","0.0692","0.0681","","","0.191","0.1946","","","","","","1.056","","","","has coordinates","219390","2020-10-21","18:00:00",""
"7701384","24.989","0.006","11.319","0.003","20.032","0.005","90","","123.044","0.003","90","","4750","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N16 Na2 Ni2 O8 -","- C40 H48 N16 Na2 Ni2 O8 -","- C160 H192 N64 Na8 Ni8 O32 -","4","0.5","","Mo, Kai-Qiang; Zhu, Zhonghong; Wang, Hai-Ling; Ma, Xiong-Feng; Peng, Jin-Mei; Zou, Hua-Hong; Bai, Juan; Liang, Fu-Pei","Substituents Lead to Differences in the Formation of Two Different Butterfly-shaped NiⅡ2DyⅢ2 Clusters: Structures and Multistep Assembly Mechanisms","Dalton Transactions","2019","","","","","10.1039/C9DT03795K","","","0.71073","MoKα","","0.0659","0.0444","","","0.1214","0.1383","","","","","","1.081","","","","has coordinates","219390","2020-10-21","18:00:00",""
"7701385","6.6261","0.0005","10.62","0.002","10.642","0.002","79.896","0.013","71.512","0.013","71.851","0.016","672.4","0.2","","","298","","","","","","","","","4","P -1","-P 1","2","","","Al-MIL-53-FcDC","- C12 Al2 Fe2 O5.18 -","- C12 Al Fe O5.177 -","- C24 Al2 Fe2 O10.354 -","2","1","","Benecke, Jannick; Mangelsen, Sebastian; Engesser, Tobias; Weyrich, Thomas; Junge, Jannik; Stock, Norbert; Reinsch, Helge","A porous and redox active ferrocenedicarboxylic acid based aluminium MOF with MIL-53-architecture","Dalton Transactions","2019","","","","","10.1039/C9DT03489G","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","219391","2020-10-21","18:00:00",""
"7701386","8.874","0.0007","10.5965","0.0008","11.6557","0.0009","85.319","0.004","75.046","0.004","70.671","0.004","999.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl Fe N3 Pd -","- C23 H20 Cl Fe N3 Pd -","- C46 H40 Cl2 Fe2 N6 Pd2 -","2","1","","Maji, Ankur; Singh, Anshu; Mohanty, Aurobinda; Maji, Pradip K.; Ghosh, Kaushik","Ferrocenyl palladacycles derived from unsymmetrical pincer-type ligands: Evidences of Pd(0) nanoparticles generation during Suzuki-Miyaura reaction and applications in direct arylation of thiazole and isoxazole","Dalton Transactions","2019","","","","","10.1039/C9DT03465J","","","0.71073","MoKα","","0.0375","0.0306","","","0.0908","0.1116","","","","","","1.193","","","","has coordinates","219392","2020-10-21","18:00:00",""
"7701387","10.4053","0.0007","12.1239","0.0008","15.8095","0.0011","90","","98.272","0.002","90","","1973.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl Fe N3 Pd -","- C22 H18 Cl Fe N3 Pd -","- C88 H72 Cl4 Fe4 N12 Pd4 -","4","1","","Maji, Ankur; Singh, Anshu; Mohanty, Aurobinda; Maji, Pradip K.; Ghosh, Kaushik","Ferrocenyl palladacycles derived from unsymmetrical pincer-type ligands: Evidences of Pd(0) nanoparticles generation during Suzuki-Miyaura reaction and applications in direct arylation of thiazole and isoxazole","Dalton Transactions","2019","","","","","10.1039/C9DT03465J","","","0.71073","MoKα","","0.0504","0.0412","","","0.1408","0.1571","","","","","","1.277","","","","has coordinates","219392","2020-10-21","18:00:00",""
"7701388","11.036","0.002","13.168","0.003","20.936","0.004","90","","90","","90","","3042.5","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O10.5 Pt -","- C26 H36 N6 O10.5 Pt -","- C104 H144 N24 O42 Pt4 -","4","1","","Deo, Krishant Moneesh; Sakoff, Jennette; Gilbert, Jayne; Zhang, Yingjie; Aldrich-Wright, Janice R","Synthesis, Characterisation and Potent Cytotoxicity of Unconventional Platinum(IV) Complexes with Modified Lipophilicity","Dalton Transactions","2019","","","","","10.1039/C9DT03339D","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0771","0.0757","","","0.2056","0.2081","","","","","","1.06","","","","has coordinates","219393","2020-10-21","18:00:00",""
"7701389","15.74","0.002","15.74","0.002","6.7581","0.0009","90","","90","","120","","1450","0.3","88","2","88","2","","","","","","","","4","P -3","-P 3","147","","","","- C25 H42 Si3 Th -","- C25 H41.9997 Si3 Th -","- C50 H83.9994 Si6 Th2 -","2","0.333333","","Wedal, Justin C.; Bekoe, Samuel; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","In Search of Tris(Trimethylsilylcyclopentadienyl) Thorium","Dalton Transactions","2019","","","","","10.1039/C9DT03674A","","","0.71073","MoKα","","0.0162","0.0143","","","0.0298","0.0303","","","","","","1.046","","","","has coordinates","219434","2020-10-21","18:00:00",""
"7701390","9.5444","0.0006","18.4598","0.0011","15.7099","0.001","90","","103.957","0.0007","90","","2686.2","0.3","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 O Si6 Th2 -","- C48 H78 O Si6 Th2 -","- C96 H156 O2 Si12 Th4 -","2","0.5","","Wedal, Justin C.; Bekoe, Samuel; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","In Search of Tris(Trimethylsilylcyclopentadienyl) Thorium","Dalton Transactions","2019","","","","","10.1039/C9DT03674A","","","0.71073","MoKα","","0.0201","0.0162","","","0.032","0.0331","","","","","","1.037","","","","has coordinates","219434","2020-10-21","18:00:00",""
"7701391","21.7256","0.0015","16.9264","0.0012","15.185","0.001","90","","91.1625","0.0008","90","","5582.9","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 Br Si3 Th -","- C24 H39 Br Si3 Th -","- C192 H312 Br8 Si24 Th8 -","8","2","","Wedal, Justin C.; Bekoe, Samuel; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","In Search of Tris(Trimethylsilylcyclopentadienyl) Thorium","Dalton Transactions","2019","","","","","10.1039/C9DT03674A","","","0.71073","MoKα","","0.0372","0.0286","","","0.0656","0.0687","","","","","","1.073","","","","has coordinates","219434","2020-10-21","18:00:00",""
"7701392","11.7509","0.0001","21.0929","0.0002","13.9381","0.0001","90","","96.153","0.001","90","","3434.8","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl2 F3 P Rh -","- C42 H33 Cl2 F3 P Rh -","- C168 H132 Cl8 F12 P4 Rh4 -","4","1","","Tan, Nicholas Sheng Long; Nealon, Gareth; Lynam, Jason Martin; Sobolev, Alexandre N.; Rowles, Matthew Ryan; Ogden, Mark Ian; Massi, Massimiliano; Lowe, Andrew B.","A (2-(Naphthalen-2-yl)phenyl)rhodium(I) Complex formed by a Proposed Intramolecular 1,4-Ortho-to-Ortho’ Rh Metal-atom Migration and its Efficacy as an Initiator in the Controlled Stereospecific Polymerisation of Phenylacetylene","Dalton Transactions","2019","","","","","10.1039/C9DT02953B","","","0.71073","MoKα","","0.0553","0.0397","","","0.0916","0.101","","","","","","1","","","","has coordinates","219435","2020-10-21","18:00:00",""
"7701393","10.0734","0.0006","5.3953","0.0003","13.2485","0.0007","90","","99.316","0.003","90","","710.55","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Co Fe O8 P2 -","- C10 H18 Co Fe O8 P2 -","- C20 H36 Co2 Fe2 O16 P4 -","2","0.5","","Khrizanforov, Mikhail; Shekurov, Ruslan Petrovich; Vasili, Miluykov; Gilmanova, Leysan; Kataeva, Olga; Yamaleeva, Zilya; Gerasimova, Tatiana; Ermolaev, Vadim; Gubaidullin, Aidar Timergalievich; Laskin, Artem; Budnikova, Yulia H.","Excellent Supercapacitor and Sensor Performance of Robust Cobalt Phosphinate Ferrocenyl Organic Framework Materials Achieved by Intrinsic Redox and Structure Properties","Dalton Transactions","2019","","","","","10.1039/C9DT03592C","","","0.71073","MoKα","","0.0362","0.0277","","","0.0718","0.0761","","","","","","1.096","","","","has coordinates","219444","2020-10-21","18:00:00",""
"7701394","19.8399","0.0004","12.6437","0.0002","26.0713","0.0006","90","","98.747","0.002","90","","6463.9","0.2","119.99","0.1","119.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H103 In N4 O Si2 Zn -","- C51 H75 In N4 O Si2 Zn -","- C204 H300 In4 N16 O4 Si8 Zn4 -","4","0.5","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","0.71073","MoKα","","0.0322","0.0298","","","0.0917","0.0932","","","","","","1.118","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701395","20.7935","0.0002","15.08451","0.00015","20.4019","0.0002","90","","100.268","0.0011","90","","6296.78","0.11","119.97","0.1","119.97","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H85 In N8 O Si2 Zn -","- C63 H85 In N8 O Si2 Zn -","- C252 H340 In4 N32 O4 Si8 Zn4 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0637","0.0641","","","","","","1.025","","","","has coordinates","219446","2020-10-21","18:00:00",""
"7701396","15.6869","0.0002","12.03733","0.00015","16.2305","0.0002","90","","103.675","0.0014","90","","2977.9","0.07","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H92 In2 N4 O2 Si4 -","- C56 H92 In2 N4 O2 Si4 -","- C112 H184 In4 N8 O4 Si8 -","2","0.5","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0229","0.0223","","","0.0558","0.0562","","","","","","1.075","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701397","26.7677","0.0005","12.29108","0.00017","24.7771","0.0004","90","","111.674","0.002","90","","7575.4","0.2","119.99","0.1","119.99","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C76 H105 In N10 O Si2 Zn -","- C76 H105 In N10 O Si2 Zn -","- C304 H420 In4 N40 O4 Si8 Zn4 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0526","0.0511","","","0.1358","0.1374","","","","","","1.044","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701398","19.4689","0.0004","25.852","0.0006","26.1441","0.0006","90","","97.516","0.002","90","","13045.5","0.5","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H182 Cd2 In2 N8 O2 Si4 -","- C130 H182 Cd2 In2 N8 O2 Si4 -","- C520 H728 Cd8 In8 N32 O8 Si16 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","0.71073","MoKα","","0.0696","0.0456","","","0.0952","0.1086","","","","","","1.041","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701399","11.89718","0.00019","14.848","0.0002","35.2391","0.0005","90","","90","","90","","6224.96","0.16","120","0.1","120","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H95 In N4 O Si2 Zn -","- C64 H95 In N4 O Si2 Zn -","- C256 H380 In4 N16 O4 Si8 Zn4 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0286","0.0276","","","0.0664","0.0669","","","","","","1.035","","","","has coordinates","219446","2020-10-21","18:00:00",""
"7701400","20.3308","0.0005","18.3808","0.0003","32.632","0.001","90","","90","","90","","12194.5","0.5","119.99","0.1","119.99","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H86 In N7 O Si2 Zn -","- C60 H86 In N7 O Si2 Zn -","- C480 H688 In8 N56 O8 Si16 Zn8 -","8","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0758","0.0531","","","0.1234","0.1394","","","","","","1.002","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701401","13.5692","0.0004","22.2174","0.0006","22.6207","0.0005","71.488","0.002","81.192","0.002","88.206","0.002","6389.3","0.3","119.99","0.1","119.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C127 H180 In2 N10 O2 Si4 Zn2 -","- C120 H172 In2 N10 O2 Si4 Zn2 -","- C240 H344 In4 N20 O4 Si8 Zn4 -","2","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.062","0.0448","","","0.1177","0.1304","","","","","","0.824","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701402","6.6503","0.0005","6.5941","0.0005","6.8024","0.0005","90","","104.64","0.002","90","","288.62","0.04","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H O8 S2 Tb -","- H O8 S2 Tb -","- H2 O16 S4 Tb2 -","2","1","","Netzsch, Philip; Bariss, Harijs; Bayarjargal, Lkhamsuren; Höppe, Henning A.","Tb(HSO4)(SO4) ‒ a green emitting hydrogensulfate sulfate with second harmonic generation response","Dalton Transactions","2019","","","","","10.1039/C9DT03436F","","","0.71073","MoKα","","0.025","0.0208","","","0.0358","0.0367","","","","","","0.926","","","","has coordinates","219447","2020-10-21","18:00:00",""
"7701403","17.051","0.004","9.38","0.002","34.534","0.008","90","","90","","90","","5523","2","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienylmanganese(I)","Bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienylmanganese(I)","","- C28 H46 K Mn O2 -","- C28 H46 K Mn O2 -","- C224 H368 K8 Mn8 O16 -","8","2","","Malischewski, Moritz; Seppelt, Konrad","Structural Characterization of Potassium Salts of the Decamethylmanganocene Anion Cp*2Mn-","Dalton Transactions","2019","","","","","10.1039/C9DT03551F","","","0.71073","MoKα","","0.0676","0.0486","","","0.1155","0.127","","","","","","1.054","","","","has coordinates","219459","2020-10-21","18:00:00",""
"7701404","22.671","0.002","11.9085","0.001","17.1759","0.0017","90","","111.469","0.003","90","","4315.4","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","(18-crown-6)bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienyl)manganese(I)","(18-crown-6)bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienyl)manganese(I)","","- C40 H70 K Mn O8 -","- C40 H70 K Mn O8 -","- C160 H280 K4 Mn4 O32 -","4","1","","Malischewski, Moritz; Seppelt, Konrad","Structural Characterization of Potassium Salts of the Decamethylmanganocene Anion Cp*2Mn-","Dalton Transactions","2019","","","","","10.1039/C9DT03551F","","","0.71073","MoKα","","0.0393","0.0288","","","0.0666","0.0718","","","","","","1.049","","","","has coordinates","219459","2020-10-21","18:00:00",""
"7701405","6.6948","0.0003","7.5422","0.0004","16.7297","0.0008","83.398","0.004","85.937","0.004","77.802","0.004","819.25","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 N3 O11 Ti -","- C11 H21 N3 O11 Ti -","- C22 H42 N6 O22 Ti2 -","2","1","","Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin","Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates","Dalton Transactions","2019","","","","","10.1039/C9DT03589C","","","0.71073","MoKα","","0.0816","0.0348","","","0.0599","0.0651","","","","","","0.787","","","","has coordinates","219471","2020-10-21","18:00:00",""
"7701406","7.9665","0.0001","30.139","0.0003","13.215","0.0001","90","","104.765","0.001","90","","3068.18","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H21 N3 O10 Ti -","- C10 H21 N3 O10 Ti -","- C80 H168 N24 O80 Ti8 -","8","2","","Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin","Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates","Dalton Transactions","2019","","","","","10.1039/C9DT03589C","","","0.71073","MoKα","","0.0369","0.0341","","","0.0881","0.0896","","","","","","1.083","","","","has coordinates,has disorder","219471","2020-10-21","18:00:00",""
"7701407","16.1839","0.0006","11.197","0.0004","15.8291","0.0006","90","","103.231","0.004","90","","2792.27","0.18","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 N3 O9 Ti -","- C9 H18 N3 O9 Ti -","- C72 H144 N24 O72 Ti8 -","8","1","","Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin","Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates","Dalton Transactions","2019","","","","","10.1039/C9DT03589C","","","0.71073","MoKα","","0.0565","0.0346","","","0.072","0.0759","","","","","","0.958","","","","has coordinates","219471","2020-10-21","18:00:00",""
"7701408","22.998","0.014","12.0774","0.0013","16.442","0.009","90","","124.99","0.04","90","","3741","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H55 N7 O27 Ti2 -","- C22 H55 N7 O27 Ti2 -","- C88 H220 N28 O108 Ti8 -","4","0.5","","Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin","Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates","Dalton Transactions","2019","","","","","10.1039/C9DT03589C","","","0.71073","MoKα","","0.1521","0.0849","","","0.1097","0.1326","","","","","","1.049","","","","has coordinates","219471","2020-10-21","18:00:00",""
"7701409","15.094","0.003","15.236","0.003","17.615","0.004","90","","90","","90","","4051","1.5","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B N -","- C22 H36 B N -","- C176 H288 B8 N8 -","8","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.0839","0.0502","","","0.1151","0.132","","","","","","1.044","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701410","10.1548","0.0009","15.6206","0.0013","16.2411","0.0014","72.926","0.002","83.939","0.002","89.112","0.002","2448.6","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 B N O2 -","- C28 H38 B N O2 -","- C112 H152 B4 N4 O8 -","4","2","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.0651","0.0424","","","0.0938","0.1043","","","","","","1.006","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701411","16.6037","0.0004","17.7087","0.0003","17.5684","0.0004","90","","114.211","0.003","90","","4711.3","0.2","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 B2 Br6 N2 -","- C44 H66 B2 Br6 N2 -","- C176 H264 B8 Br24 N8 -","4","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","x-ray","0.71073","MoKα","","0.0738","0.037","","","0.0716","0.0834","","","","","","1.023","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701412","16.5507","0.0007","17.6333","0.0006","17.2854","0.0007","90","","114.292","0.005","90","","4598","0.4","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 B2 Cl6 N2 -","- C44 H66 B2 Cl6 N2 -","- C176 H264 B8 Cl24 N8 -","4","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","x-ray","0.71073","MoKα","","0.1473","0.0701","","","0.1726","0.2204","","","","","","1.048","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701413","9.272","0.0002","15.9647","0.0003","15.382","0.0003","90","","106.311","0.001","90","","2185.27","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B Cl2 N -","- C22 H34 B Cl2 N -","- C88 H136 B4 Cl8 N4 -","4","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.0503","0.0351","","","0.0761","0.0812","","","","","","0.962","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701414","15.72","0.003","10.4248","0.0017","16.049","0.003","90","","98.578","0.004","90","","2600.7","0.8","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 B N -","- C30 H48 B N -","- C120 H192 B4 N4 -","4","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.0496","0.0401","","","0.0937","0.1","","","","","","1.026","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701415","17.837","0.0005","23.3635","0.0007","15.3109","0.0006","90","","90","","90","","6380.6","0.4","100.02","0.1","100.02","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C66 H99 B3 F9 N3 -","- C66 H99 B3 F9 N3 -","- C264 H396 B12 F36 N12 -","4","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","x-ray","0.71073","MoKα","","0.0898","0.0668","","","0.1782","0.2029","","","","","","1.036","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701416","15.362","0.0011","18.1323","0.0012","30.142","0.002","90","","90","","90","","8396","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H70 B2 Cl2 N2 -","- C44 H70 B2 Cl2 N2 -","- C352 H560 B16 Cl16 N16 -","8","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.1913","0.0862","","","0.2082","0.2616","","","","","","1.045","","","","has coordinates,has disorder","219472","2020-10-21","18:00:00",""
"7701417","13.5668","0.0006","12.9364","0.0006","9.2522","0.0004","90","","90","","90","","1623.81","0.13","295","0.2","295","0.2","","","","","","","","5","P n n a","-P 2a 2bc","52","","{[Co(dca)2(NH2pyz)2].H2O}n","","- C12 H12 Co N12 O -","- C12 H12 Co N12 O -","- C48 H48 Co4 N48 O4 -","4","0.5","","Palion-Gazda, Joanna; Choroba, Katarzyna; Machura, Barbara; Świtlicka, Anna; Kruszyński, Rafał; Cano, Joan; Lloret, Francesc; Julve, Miguel","Influence of the pyrazine substituent on the structure and magnetic properties of dicyanamide-bridged cobalt(II) complexes","Dalton Transactions","2019","","","","","10.1039/C9DT02976A","","","0.71073","MoKα","","0.0386","0.0293","","","0.0742","0.0789","","","","","","1.03","","","","has coordinates","219473","2020-10-21","18:00:00",""
"7701418","6.9942","0.0003","12.0232","0.0004","12.8819","0.0006","93.33","0.003","95.046","0.004","95.499","0.003","1071.69","0.08","295","0.2","295","0.2","","","","","","","","5","P -1","-P 1","2","","[Co3(dca)6(HOpyz)5(H2O)2]n","","- C32 H23 Co3 N28 O7 -","- C32 H23.03 Co3 N28 O7.03 -","- C32 H23.03 Co3 N28 O7.03 -","1","0.5","","Palion-Gazda, Joanna; Choroba, Katarzyna; Machura, Barbara; Świtlicka, Anna; Kruszyński, Rafał; Cano, Joan; Lloret, Francesc; Julve, Miguel","Influence of the pyrazine substituent on the structure and magnetic properties of dicyanamide-bridged cobalt(II) complexes","Dalton Transactions","2019","","","","","10.1039/C9DT02976A","","","0.71073","MoKα","","0.0381","0.0304","","","0.0676","0.0703","","","","","","1.035","","","","has coordinates,has disorder","219473","2020-10-21","18:00:00",""
"7701419","6.9591","0.0005","7.2934","0.0006","9.0676","0.0009","76.04","0.012","72.399","0.011","66.785","0.01","399.23","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Manganese Hexathiocyanatoplatinate (IV)","{Mn[Pt(SCN)6]}n","","- C6 Mn N6 Pt S6 -","- C6 Mn N6 Pt S6 -","- C6 Mn N6 Pt S6 -","1","0.5","","Tabe, Hiroyasu; Matsushima, Masaaki; Tanaka, Rika; Yamada, Yusuke","Creation and stabilisation of tuneable open metal sites in thiocyanato-bridged heterometallic coordination polymers to be used as heterogeneous catalysts","Dalton Transactions","2019","","","","","10.1039/C9DT03679B","","","0.7107","MoKα","","0.0457","0.0431","","","0.0675","0.0693","","","","","","1.077","","","","has coordinates","219474","2020-10-21","18:00:00",""
"7701420","36.5312","0.0016","8.5217","0.0002","13.7907","0.0005","90","","109.973","0.0015","90","","4034.9","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Cobalt hexathiocyanatoplatinate(IV) dimethanolate","{[Co(CH3OH)2][Pt(SCN)6]}n","","- C8 H8 Co N6 O2 Pt S6 -","- C8 H8 Co N6 O2 Pt S6 -","- C64 H64 Co8 N48 O16 Pt8 S48 -","8","1","","Tabe, Hiroyasu; Matsushima, Masaaki; Tanaka, Rika; Yamada, Yusuke","Creation and stabilisation of tuneable open metal sites in thiocyanato-bridged heterometallic coordination polymers to be used as heterogeneous catalysts","Dalton Transactions","2019","","","","","10.1039/C9DT03679B","","","0.7107","MoKα","","0.04","0.0327","","","0.0659","0.0694","","","","","","1.089","","","","has coordinates,has disorder","219474","2020-10-21","18:00:00",""
"7701421","15.6564","0.0005","7.8934","0.0002","16.5987","0.0005","90","","90.3863","0.0019","90","","2051.26","0.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Iron hexathiocyanatoplatinate(IV) dimethanolate","{[Fe(CH3OH)2][Pt(SCN)6]}n","","- C8 H8 Fe N6 O2 Pt S6 -","- C8 H8 Fe N6 O2 Pt S6 -","- C32 H32 Fe4 N24 O8 Pt4 S24 -","4","1","","Tabe, Hiroyasu; Matsushima, Masaaki; Tanaka, Rika; Yamada, Yusuke","Creation and stabilisation of tuneable open metal sites in thiocyanato-bridged heterometallic coordination polymers to be used as heterogeneous catalysts","Dalton Transactions","2019","","","","","10.1039/C9DT03679B","","","0.7107","MoKα","","0.0328","0.0262","","","0.0573","0.0604","","","","","","1.069","","","","has coordinates","219474","2020-10-21","18:00:00",""
"7701422","25.3667","0.0012","14.6482","0.0005","17.1303","0.0009","90","","118.455","0.006","90","","5596.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Fe N14 O8 S2 -","- C50 H56 Fe N14 O8 S2 -","- C200 H224 Fe4 N56 O32 S8 -","4","0.5","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Dou, Yong; Hao, Xiaoyun; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Thermal- and light-induced switchable one-dimensional rare looped-like spin crossover coordination polymer","Dalton Transactions","2019","","","","","10.1039/C9DT03285A","","","0.71073","MoKα","","0.1101","0.0783","","","0.2051","0.2306","","","","","","1.035","","","","has coordinates","219475","2020-10-21","18:00:00",""
"7701423","25.24","0.002","14.5659","0.0008","17.2422","0.0014","90","","117.624","0.01","90","","5616.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Fe N14 O8 Se2 -","- C50 H56 Fe N14 O8 Se2 -","- C200 H224 Fe4 N56 O32 Se8 -","4","0.5","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Dou, Yong; Hao, Xiaoyun; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Thermal- and light-induced switchable one-dimensional rare looped-like spin crossover coordination polymer","Dalton Transactions","2019","","","","","10.1039/C9DT03285A","","","0.71073","MoKα","","0.091","0.0629","","","0.164","0.1845","","","","","","1.048","","","","has coordinates","219475","2020-10-21","18:00:00",""
"7701424","25.1307","0.0014","14.3256","0.0008","17.0759","0.0011","90","","118.119","0.008","90","","5421.9","0.7","105","2","105","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Fe N14 O8 Se2 -","- C50 H56 Fe N14 O8 Se2 -","- C200 H224 Fe4 N56 O32 Se8 -","4","0.5","","Lan, Wenlong; Valverde-Muñoz, Francisco Javier; Dou, Yong; Hao, Xiaoyun; Muñoz, Carmen; Zhou, Zhen; Liu, Hui; Liu, Qingyun; Real Cabezos, José Antonio A; Zhang, Daopeng","Thermal- and light-induced switchable one-dimensional rare looped-like spin crossover coordination polymer","Dalton Transactions","2019","","","","","10.1039/C9DT03285A","","","0.71073","MoKα","","0.074","0.0569","","","0.136","0.1463","","","","","","1.05","","","","has coordinates","219475","2020-10-21","18:00:00",""
"7701425","23.4757","0.0017","34.645","0.002","30.737","0.002","90","","105.815","0.002","90","","24053","3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H74.33 Fe2 O21.25 -","- C85 H74.3333 Fe2 O21.25 -","- C1020 H892 Fe24 O255 -","12","3","","Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David","Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03398J","","","0.7749","synchrotron","","0.0831","0.0681","","","0.2119","0.2269","","","","","","1.014","","","","has coordinates,has disorder","219476","2020-10-21","18:00:00",""
"7701426","16.3656","0.0006","23.5579","0.0009","19.8257","0.0008","90","","94.915","0.002","90","","7615.5","0.5","100","2","100.6","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H80 Ga2 O22 -","- C88 H80 Ga2 O22 -","- C352 H320 Ga8 O88 -","4","0.5","","Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David","Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03398J","","","0.71073","MoKα","","0.0479","0.04","","","0.1024","0.108","","","","","","1.041","","","","has coordinates","219476","2020-10-21","18:00:00",""
"7701427","23.111","0.007","17.662","0.006","18.343","0.005","90","","127.106","0.004","90","","5971","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H48 Fe2 O15 -","- C72 H48 Fe2 O15 -","- C288 H192 Fe8 O60 -","4","1","","Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David","Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03398J","","","0.7749","synchrotron","","0.1171","0.0898","","","0.2225","0.2401","","","","","","1.059","","","","has coordinates,has disorder","219476","2020-10-21","18:00:00",""
"7701428","23.064","0.003","17.699","0.002","18.156","0.004","90","","127.401","0.009","90","","5887.7","1.8","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C72 H48 Ga2 O15 -","- C72 H48 Ga2 O15 -","- C288 H192 Ga8 O60 -","4","1","","Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David","Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03398J","","","0.71073","MoKα","","0.1315","0.0927","","","0.2169","0.2399","","","","","","1.124","","","","has coordinates,has disorder","219476","2020-10-21","18:00:00",""
"7701429","15.8192","0.0009","10.5686","0.0006","14.8615","0.0008","90","","94.964","0.002","90","","2475.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O5 S2 V -","- C22 H26 N4 O5 S2 V -","- C88 H104 N16 O20 S8 V4 -","4","1","","Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi","New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies","Dalton Transactions","2019","","","","","10.1039/C9DT02505G","","","0.71073","MoKα","","0.0459","0.037","","","0.0966","0.1028","","","","","","1.075","","","","has coordinates,has disorder","219504","2020-10-21","18:00:00",""
"7701430","7.2579","0.0003","13.8117","0.0005","16.298","0.0006","90","","90","","90","","1633.78","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N4 O4 V -","- C18 H15 N4 O4 V -","- C72 H60 N16 O16 V4 -","4","1","","Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi","New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies","Dalton Transactions","2019","","","","","10.1039/C9DT02505G","","","0.71073","MoKα","","0.033","0.0285","","","0.0744","0.0763","","","","","","1.075","","","","has coordinates","219504","2020-10-21","18:00:00",""
"7701431","15.3157","0.0007","15.8806","0.0008","22.1939","0.0013","90","","90","","90","","5398.1","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br2 N4 O5 S2 V -","- C22 H24 Br2 N4 O5 S2 V -","- C176 H192 Br16 N32 O40 S16 V8 -","8","2","","Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi","New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies","Dalton Transactions","2019","","","","","10.1039/C9DT02505G","","","0.71073","MoKα","","0.07","0.0418","","","0.0898","0.1028","","","","","","1.029","","","","has coordinates,has disorder","219504","2020-10-21","18:00:00",""
"7701432","13.8817","0.0005","13.0525","0.0005","13.1235","0.0005","90","","108.646","0.002","90","","2253.05","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O8 S V -","- C20 H18 N6 O8 S V -","- C80 H72 N24 O32 S4 V4 -","4","1","","Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi","New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies","Dalton Transactions","2019","","","","","10.1039/C9DT02505G","","","0.71073","MoKα","","0.0584","0.0447","","","0.1199","0.1286","","","","","","1.059","","","","has coordinates,has disorder","219504","2020-10-21","18:00:00",""
"7701433","14.1692","0.0008","13.5603","0.0006","12.7578","0.0007","90","","110.407","0.007","90","","2297.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","","Boltersdorf, Tamara; Ansari, Junaid; Senchenkova, Elena; Jiang, Lijun; White, Andrew J. P.; Coogan, Michael; Gavins, Felicity; Long, Nicholas J.","Development, characterisation and in vitro evaluation of lanthanide-based FPR2/ALX-targeted imaging probes","Dalton Transactions","2019","","","","","10.1039/C9DT03520F","","","0.71073","MoKα","","0.085","0.0527","","","0.121","0.1405","","","","","","1.033","","","","has coordinates,has disorder","219521","2020-10-21","18:00:00",""
"7701434","12.8327","0.0002","5.3502","0.0001","27.5244","0.0003","90","","99.6528","0.0008","90","","1863","0.05","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 B2 Br2 N4 -","- C44 H38 B2 Br2 N4 -","- C88 H76 B4 Br4 N8 -","2","0.5","","Weber, Lothar; Eickhoff, Daniel; Stammler, Georg; Neumann, Beate; CHROSTOWSKA, Anna; Darrigan, Clovis; Dargelos, Alain","Syntheses and structures of benzo-bis(1,3,2-diazaboroles) and acenaphtho-1,3,2 ‒diazaboroles","Dalton Transactions","2019","","","","","10.1039/C9DT03818C","","","0.71073","MoKα","","0.0319","0.0251","","","0.0601","0.0628","","","","","","1.043","","","","has coordinates","219522","2020-10-21","18:00:00",""
"7701435","13.8103","0.0002","11.3999","0.0001","26.6226","0.0002","90","","92.379","0.0007","90","","4187.74","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 B2 Br6 Cl2 N2 -","- C37 H42 B2 Br6 Cl2 N2 -","- C148 H168 B8 Br24 Cl8 N8 -","4","1","","Weber, Lothar; Eickhoff, Daniel; Stammler, Georg; Neumann, Beate; CHROSTOWSKA, Anna; Darrigan, Clovis; Dargelos, Alain","Syntheses and structures of benzo-bis(1,3,2-diazaboroles) and acenaphtho-1,3,2 ‒diazaboroles","Dalton Transactions","2019","","","","","10.1039/C9DT03818C","","","0.71073","MoKα","","0.0417","0.0292","","","0.0684","0.0724","","","","","","1.051","","","","has coordinates","219522","2020-10-21","18:00:00",""
"7701436","12.915","0.0002","19.5005","0.0002","13.435","0.0002","90","","110.5","0.0007","90","","3169.32","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 B Br N2 -","- C36 H40 B Br N2 -","- C144 H160 B4 Br4 N8 -","4","1","","Weber, Lothar; Eickhoff, Daniel; Stammler, Georg; Neumann, Beate; CHROSTOWSKA, Anna; Darrigan, Clovis; Dargelos, Alain","Syntheses and structures of benzo-bis(1,3,2-diazaboroles) and acenaphtho-1,3,2 ‒diazaboroles","Dalton Transactions","2019","","","","","10.1039/C9DT03818C","","","0.71073","MoKα","","0.0595","0.039","","","0.0913","0.0998","","","","","","1.023","","","","has coordinates","219522","2020-10-21","18:00:00",""
"7701437","12.2167","0.0009","17.5848","0.0013","22.4459","0.0017","102.464","0.003","92.731","0.003","101.164","0.003","4599.1","0.6","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 N Ni O2 Se2 -","- C44 H76 N Ni O2 Se2 -","- C176 H304 N4 Ni4 O8 Se8 -","4","2","","Banerjee, Sridhar; Sheet, Debobrata; Sarkar, Subhash; Halder, Partha; Paine, Tapan Kanti","Nickel Complexes of Ligands Derived from (o-Hydroxyphenyl) Dichalcogenide: Delocalised Redox States of Nickel and o-Chalcogenophenolate Ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03413G","","","0.71073","MoKα","","0.1008","0.0528","","","0.1211","0.1452","","","","","","1.023","","","","has coordinates","219523","2020-10-21","18:00:00",""
"7701438","11.7642","0.0012","17.6359","0.0015","24.949","0.002","102.301","0.003","96.756","0.003","103.944","0.003","4829.8","0.8","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H158 N2 Ni2 O5 S4 -","- C92 H158 N2 Ni2 O5 S4 -","- C184 H316 N4 Ni4 O10 S8 -","2","1","","Banerjee, Sridhar; Sheet, Debobrata; Sarkar, Subhash; Halder, Partha; Paine, Tapan Kanti","Nickel Complexes of Ligands Derived from (o-Hydroxyphenyl) Dichalcogenide: Delocalised Redox States of Nickel and o-Chalcogenophenolate Ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03413G","","","0.71073","MoKα","","0.126","0.0893","","","0.2145","0.2455","","","","","","1.016","","","","has coordinates","219523","2020-10-21","18:00:00",""
"7701439","20.7","0.003","9.7342","0.0014","26.459","0.004","90","","103.576","0.004","90","","5182.5","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H61 B Cl2 Fe N4 O5 -","- C57 H61 B Cl2 Fe N4 O5 -","- C228 H244 B4 Cl8 Fe4 N16 O20 -","4","1","","Paine, Tapan Kanti; Rahaman, Rubina; Munshi, Sandip; Banerjee, Sridhar; Chakraborty, Biswarup; Bhunia, Sarmistha","Dioxygen Reactivity of Iron(II)-Gentisate/1,4-Dihydroxy-2-naphthoate Complexes of N4 Ligands: Oxidative Coupling of 1,4-Dihydroxy-2-naphthoate","Dalton Transactions","2019","","","","","10.1039/C9DT03493E","","","0.71073","MoKα","","0.1183","0.0825","","","0.221","0.2557","","","","","","1.09","","","","has coordinates","220344","2020-10-21","18:00:00",""
"7701440","4.7327","0.0017","22.284","0.008","14.047","0.005","90","","99.381","0.012","90","","1461.6","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H10 O6 -","- C21 H10 O6 -","- C84 H40 O24 -","4","1","","Paine, Tapan Kanti; Rahaman, Rubina; Munshi, Sandip; Banerjee, Sridhar; Chakraborty, Biswarup; Bhunia, Sarmistha","Dioxygen Reactivity of Iron(II)-Gentisate/1,4-Dihydroxy-2-naphthoate Complexes of N4 Ligands: Oxidative Coupling of 1,4-Dihydroxy-2-naphthoate","Dalton Transactions","2019","","","","","10.1039/C9DT03493E","","","0.71073","MoKα","","0.1428","0.0957","","","0.2661","0.2939","","","","","","1.487","","","","has coordinates","220344","2020-10-21","18:00:00",""
"7701441","9.834","0.005","11.435","0.006","16.182","0.008","82.691","0.016","87.388","0.019","74.6","0.015","1740","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Fe N4 O8 -","- C38 H30 Fe N4 O8 -","- C76 H60 Fe2 N8 O16 -","2","1","","Paine, Tapan Kanti; Rahaman, Rubina; Munshi, Sandip; Banerjee, Sridhar; Chakraborty, Biswarup; Bhunia, Sarmistha","Dioxygen Reactivity of Iron(II)-Gentisate/1,4-Dihydroxy-2-naphthoate Complexes of N4 Ligands: Oxidative Coupling of 1,4-Dihydroxy-2-naphthoate","Dalton Transactions","2019","","","","","10.1039/C9DT03493E","","","0.71073","MoKα","","0.0731","0.045","","","0.121","0.1511","","","","","","0.814","","","","has coordinates","220344","2020-10-21","18:00:00",""
"7701442","9.0769","0.0015","11.742","0.0019","16.983","0.003","70.805","0.005","75.569","0.005","86.174","0.006","1655.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Fe N4 O7 -","- C42 H32 Fe N4 O7 -","- C84 H64 Fe2 N8 O14 -","2","1","","Paine, Tapan Kanti; Rahaman, Rubina; Munshi, Sandip; Banerjee, Sridhar; Chakraborty, Biswarup; Bhunia, Sarmistha","Dioxygen Reactivity of Iron(II)-Gentisate/1,4-Dihydroxy-2-naphthoate Complexes of N4 Ligands: Oxidative Coupling of 1,4-Dihydroxy-2-naphthoate","Dalton Transactions","2019","","","","","10.1039/C9DT03493E","","","0.71073","MoKα","","0.0889","0.0672","","","0.1641","0.1831","","","","","","0.986","","","","has coordinates","220344","2020-10-21","18:00:00",""
"7701443","13.22","0.019","14.16","0.02","14.36","0.02","97.572","0.018","112.542","0.017","116.508","0.017","2067","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Cl Fe N7 O8 -","- C35 H25 Cl Fe N7 O8 -","- C70 H50 Cl2 Fe2 N14 O16 -","2","1","","Paine, Tapan Kanti; Rahaman, Rubina; Munshi, Sandip; Banerjee, Sridhar; Chakraborty, Biswarup; Bhunia, Sarmistha","Dioxygen Reactivity of Iron(II)-Gentisate/1,4-Dihydroxy-2-naphthoate Complexes of N4 Ligands: Oxidative Coupling of 1,4-Dihydroxy-2-naphthoate","Dalton Transactions","2019","","","","","10.1039/C9DT03493E","","","0.71073","MoKα","","0.0795","0.053","","","0.1733","0.2015","","","","","","0.695","","","","has coordinates","220344","2020-10-21","18:00:00",""
"7701444","16.4343","0.0004","20.4024","0.0005","17.2272","0.0005","90","","91.729","0.001","90","","5773.6","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 F12 Fe N6 P2 -","- C23 H28 F12 Fe N6 P2 -","- C184 H224 F96 Fe8 N48 P16 -","8","2","","Bohn, Antoine; Chinaud-Chaix, Clémence; Cheaib, Khaled; Guillot, Régis; Herrero, Christian; Senechal-David, Katell; rebilly, jean-noël; Banse, Frédéric","Base-controlled Mechanistic Divergence between Iron(IV)-Oxo and Iron(III)-Hydroperoxo in the H2O2 Activation by a Nonheme Iron(II) Complex.","Dalton Transactions","2019","","","","","10.1039/C9DT03487K","","","0.71073","MoKα","","0.0747","0.0419","","","0.089","0.1032","","","","","","1.024","","","","has coordinates,has disorder","220345","2020-10-21","18:00:00",""
"7701447","11.1411","0.0012","12.4837","0.0013","13.0934","0.0014","90","","115.066","0.003","90","","1649.6","0.3","100","","100","","","","","","","","see text","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Au Cl F12 N8 P2 -","- C16 H16 Au Cl F12 N8 P2 -","- C32 H32 Au2 Cl2 F24 N16 P4 -","2","0.5","","Bauer, Elisabeth B.; Bernd, Marco A.; Schütz, Max; Oberkofler, Jens; Pöthig, Alexander; Reich, Robert M.; Kühn, Fritz E","Synthesis, characterization, and biological studies of multidentate gold(i) and gold(iii) NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03183a","","x-ray","0.71073","MoKα","","0.0691","0.0488","","","0.0976","0.104","","","","","","1.031","","","","has coordinates","220347","2020-10-21","18:00:00",""
"7701448","10.2467","0.0011","11.0281","0.0014","13.9369","0.0017","88.29","0.005","72.334","0.005","85.139","0.005","1495.2","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C48 H56 F12 N12 O16 S4 -","- C48 H56 F12 N12 O16 S4 -","- C48 H56 F12 N12 O16 S4 -","1","0.5","","Bauer, Elisabeth B.; Bernd, Marco A.; Schütz, Max; Oberkofler, Jens; Pöthig, Alexander; Reich, Robert M.; Kühn, Fritz E","Synthesis, characterization, and biological studies of multidentate gold(i) and gold(iii) NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03183a","","x-ray","0.71073","MoKα","","0.0641","0.0475","","","0.1134","0.1241","","","","","","1.057","","","","has coordinates,has disorder","220347","2020-10-21","18:00:00",""
"7701449","11.754","0.0008","14.5132","0.001","15.3083","0.0011","66.978","0.002","88.564","0.002","72.316","0.002","2276.7","0.3","119","","119","","","","","","","","see text","7","P -1","-P 1","2","","","","- C82.49 H70.3 Ag4 F12 N23.43 O12 S4 -","- C82.496 H70.308 Ag4 F12 N23.436 O12 S4 -","- C82.496 H70.308 Ag4 F12 N23.436 O12 S4 -","1","0.5","","Bauer, Elisabeth B.; Bernd, Marco A.; Schütz, Max; Oberkofler, Jens; Pöthig, Alexander; Reich, Robert M.; Kühn, Fritz E","Synthesis, characterization, and biological studies of multidentate gold(i) and gold(iii) NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03183a","","x-ray","0.71073","MoKα","","0.0374","0.0315","","","0.0719","0.0747","","","","","","1.053","","","","has coordinates,has disorder","220347","2020-10-21","18:00:00",""
"7701450","12.3978","0.0007","12.7838","0.0007","16.2846","0.0009","67.459","0.002","85.945","0.002","84.111","0.002","2369.8","0.2","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C80 H76 Au4 F12 N20 O16 S4 -","- C80 H76 Au4 F12 N20 O16 S4 -","- C80 H76 Au4 F12 N20 O16 S4 -","1","0.5","","Bauer, Elisabeth B.; Bernd, Marco A.; Schütz, Max; Oberkofler, Jens; Pöthig, Alexander; Reich, Robert M.; Kühn, Fritz E","Synthesis, characterization, and biological studies of multidentate gold(i) and gold(iii) NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2019","","","","","10.1039/c9dt03183a","","x-ray","0.71073","MoKα","","0.0373","0.0266","","","0.0627","0.0671","","","","","","1.028","","","","has coordinates,has disorder","220347","2020-10-21","18:00:00",""
"7701451","13.4742","0.0006","26.3391","0.0011","31.1489","0.0013","114.923","0.0006","95.257","0.0007","96.9183","0.0007","9826.9","0.7","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C8 H12 Fe10 K3 Na4 O162 P4 W30 -","- C8 H12 Fe10 K3 Na4 O162 P4 W30 -","- C16 H24 Fe20 K6 Na8 O324 P8 W60 -","2","1","","Niu, Jingyang; Yang, Zongfei; Wang, Yaping; Liang, Zhijie; Lu, Jingkun; Ma, Pengtao; Wang, Jingping","An unprecedented [{Fe5O5(OH)2(OAc)2}2{W2O2(OH)}] cluster sandwiched in the tetravacant tungstophosphate","Dalton Transactions","2019","","","","","10.1039/C9DT03524A","","","0.71073","MoKα","","0.0992","0.0572","","","0.1449","0.1711","","","","","","1.024","","","","has coordinates","220525","2020-10-21","18:00:00",""
"7701452","19.0416","0.001","19.0416","0.001","18.643","0.0009","90","","90","","90","","6759.6","0.6","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C52 H58 Cu4 N4 O26 -","- C40 H18 Cu4 O20 -","- C160 H72 Cu16 O80 -","4","0.125","","Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; Yu, Honggui; Wang, Yingjie; He, Yabing","Rational construction and remarkable gas adsorption properties of a HKUST-1-like tbo-type MOF based on a tetraisophthalate linker","Dalton Transactions","2019","","","","","10.1039/C9DT03716K","","","0.71073","MoKα","","0.0775","0.0488","","","0.1394","0.1553","","","","","","1.063","","","","has coordinates","220526","2020-10-21","18:00:00",""
"7701456","23.6353","0.0006","9.8015","0.0003","21.9884","0.0005","90","","118.115","0.001","90","","4492.8","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cl0 N3 Pt0 S -","- C24 H23 N3 S -","- C192 H184 N24 S8 -","8","1","","Oliveira, Carolina Gonçalves; Romero-Canelon, Isolda; Silva, Monize M.; Coverdale, James; da Silva Maia, Pedro Ivo; Batista, Alzir A.; Castelli, Silvia; Desideri, Alessandro; Sadler, Peter J.; Deflon, Victor Marcelo Marcelo","Palladium (II) complexes with thiosemicarbazones derived from pyrene as topoisomerase IB inhibitors","Dalton Transactions","2019","","","","","10.1039/C9DT02570G","","","0.71073","MoKα","","0.0982","0.0699","","","0.2137","0.2423","","","","","","1.064","","","","has coordinates","220579","2020-10-21","18:00:00",""
"7701457","31.1556","0.0006","10.4263","0.0002","26.4258","0.0005","90","","120.458","0.001","90","","7399.5","0.3","566","2","566","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H37 Cl N3 P Pd S -","- C42 H37 Cl N3 P Pd S -","- C336 H296 Cl8 N24 P8 Pd8 S8 -","8","1","","Oliveira, Carolina Gonçalves; Romero-Canelon, Isolda; Silva, Monize M.; Coverdale, James; da Silva Maia, Pedro Ivo; Batista, Alzir A.; Castelli, Silvia; Desideri, Alessandro; Sadler, Peter J.; Deflon, Victor Marcelo Marcelo","Palladium (II) complexes with thiosemicarbazones derived from pyrene as topoisomerase IB inhibitors","Dalton Transactions","2019","","","","","10.1039/C9DT02570G","","","0.71073","MoKα","","0.0284","0.0231","","","0.0561","0.0598","","","","","","1.051","","","","has coordinates","220579","2020-10-21","18:00:00",""
"7701458","7.8769","0.0003","8.6861","0.0003","26.3559","0.001","94.574","0.002","92.802","0.002","112.551","0.002","1653.88","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N6 S2 -","- C40 H34 N6 S2 -","- C80 H68 N12 S4 -","2","1","","Oliveira, Carolina Gonçalves; Romero-Canelon, Isolda; Silva, Monize M.; Coverdale, James; da Silva Maia, Pedro Ivo; Batista, Alzir A.; Castelli, Silvia; Desideri, Alessandro; Sadler, Peter J.; Deflon, Victor Marcelo Marcelo","Palladium (II) complexes with thiosemicarbazones derived from pyrene as topoisomerase IB inhibitors","Dalton Transactions","2019","","","","","10.1039/C9DT02570G","","","0.71073","MoKα","","0.0924","0.0514","","","0.1296","0.1521","","","","","","1.043","","","","has coordinates,has disorder","220579","2020-10-21","18:00:00",""
"7701459","14.2704","0.0011","12.0045","0.0008","21.2465","0.0016","90","","109.283","0.002","90","","3435.5","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl N3 P Pd S -","- C38 H31 Cl N3 P Pd S -","- C152 H124 Cl4 N12 P4 Pd4 S4 -","4","1","","Oliveira, Carolina Gonçalves; Romero-Canelon, Isolda; Silva, Monize M.; Coverdale, James; da Silva Maia, Pedro Ivo; Batista, Alzir A.; Castelli, Silvia; Desideri, Alessandro; Sadler, Peter J.; Deflon, Victor Marcelo Marcelo","Palladium (II) complexes with thiosemicarbazones derived from pyrene as topoisomerase IB inhibitors","Dalton Transactions","2019","","","","","10.1039/C9DT02570G","","","0.71073","MoKα","","0.0319","0.0283","","","0.0731","0.0766","","","","","","1.106","","","","has coordinates","220579","2020-10-21","18:00:00",""
"7701460","14.48","0.004","15.745","0.005","15.51","0.005","90","","115.989","0.014","90","","3178.5","1.7","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Dy N9 O14 -","- C23 H32 Dy N9 O14 -","- C92 H128 Dy4 N36 O56 -","4","1","","Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng","Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway","Dalton Transactions","2019","","","","","10.1039/C9DT02646K","","","0.71075","MoKα","","0.05","0.0295","","","0.0634","0.0796","","","","","","1.128","","","","has coordinates","220618","2020-10-21","18:00:00",""
"7701461","28.897","0.004","28.897","0.004","28.897","0.004","90","","90","","90","","24130","6","150","2","150.15","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H81 Gd3 N24 O33 -","- C69 H81 Gd3 N24 O33 -","- C552 H648 Gd24 N192 O264 -","8","0.333333","","Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng","Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway","Dalton Transactions","2019","","","","","10.1039/C9DT02646K","","","0.71075","MoKα","","0.0859","0.0573","","","0.1211","0.1419","","","","","","1.142","","","","has coordinates","220618","2020-10-21","18:00:00",""
"7701462","28.811","0.004","28.811","0.004","28.811","0.004","90","","90","","90","","23915","6","150","2","150.15","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H81 Dy3 N24 O33 -","- C69 H81 Dy3 N24 O33 -","- C552 H648 Dy24 N192 O264 -","8","0.333333","","Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng","Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway","Dalton Transactions","2019","","","","","10.1039/C9DT02646K","","","0.71075","MoKα","","0.1411","0.0648","","","0.1389","0.1932","","","","","","1.217","","","","has coordinates","220618","2020-10-21","18:00:00",""
"7701463","10.6293","0.0005","13.9322","0.0007","13.7379","0.0007","90","","112.566","0.002","90","","1878.68","0.16","150","2","150.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Dy N9 O17 -","- C32 H36 Dy N9 O17 -","- C64 H72 Dy2 N18 O34 -","2","0.5","","Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng","Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway","Dalton Transactions","2019","","","","","10.1039/C9DT02646K","","","0.71076","MoKα","","0.0401","0.0285","","","0.0699","0.0752","","","","","","1.034","","","","has coordinates,has disorder","220618","2020-10-21","18:00:00",""
"7701464","13.241","0.003","13.693","0.003","21.408","0.004","92.848","0.008","96.03","0.007","92.184","0.008","3851.5","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","17164z","","","- C92.5 H90.08 B Cr N O4 P5 -","- C92.5 H90.08 B Cr N O4 P5 -","- C185 H180.16 B2 Cr2 N2 O8 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.075","0.0536","","","0.1168","0.1287","","","","","","1.088","","","","has coordinates,has disorder","220619","2020-10-21","18:00:00",""
"7701465","18.4916","0.0017","12.0782","0.0009","40.404","0.003","90","","98.316","0.004","90","","8929.2","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","17199z","Cr(CO)3(((3,5-Me)C6H3)BPPh3)","","- C52 H49 B Cr O3.5 P3 -","- C52 H49 B Cr O3.5 P3 -","- C416 H392 B8 Cr8 O28 P24 -","8","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0472","0.0368","","","0.0859","0.0917","","","","","","1.038","","","","has coordinates,has disorder","220619","2020-10-21","18:00:00",""
"7701466","12.532","0.004","17.887","0.004","19.008","0.006","76.936","0.006","76.136","0.005","89.78","0.005","4024","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","17200z","Cr(CO)3(PhBPPh3)","","- C48 H41 B Cr O3 P3 -","- C48 H41 B Cr O3 P3 -","- C192 H164 B4 Cr4 O12 P12 -","4","2","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0759","0.049","","","0.0994","0.1139","","","","","","1.048","","","","has coordinates","220619","2020-10-21","18:00:00",""
"7701467","13.198","0.003","13.261","0.003","17.397","0.004","78.336","0.004","78.808","0.004","61.407","0.004","2601.4","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","18145zz","W(CO)3{h6-(((3,5-CH3)C6H3)BPPh3)Cr(CO)3}","","- C53 H45 B Cr O6 P3 W -","- C53 H45 B Cr O6 P3 W -","- C106 H90 B2 Cr2 O12 P6 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0484","0.0365","","","0.0828","0.0903","","","","","","1.087","","","","has coordinates","220619","2020-10-21","18:00:00",""
"7701468","13.3153","0.0017","13.6068","0.0017","17.191","0.002","75.051","0.002","76.477","0.002","61.345","0.002","2618.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","18146z","Cr(CO)3{h6-(((3,5-CH3)C6H3)BPPh3)Cr(CO)3}","","- C58 H57 B Cr2 O6 P3 -","- C58 H57 B Cr2 O6 P3 -","- C116 H114 B2 Cr4 O12 P6 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0747","0.0467","","","0.1092","0.1263","","","","","","1.037","","","","has coordinates","220619","2020-10-21","18:00:00",""
"7701469","10.361","0.0013","20.185","0.002","45.506","0.006","90","","90","","90","","9517","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","18126zzz","Cr(CO)3{h6-(PhBPPh3)Cr(CO)3}","","- C51 H41 B Cr2 O6 P3 -","- C51 H41 B Cr2 O6 P3 -","- C408 H328 B8 Cr16 O48 P24 -","8","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0812","0.0742","","","0.1424","0.1459","","","","","","1.25","","","","has coordinates,has disorder","220619","2020-10-21","18:00:00",""
"7701470","12.1469","0.0016","17.619","0.002","32.885","0.004","90","","94.643","0.003","90","","7014.8","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","18151b","[Et4N][Cr(CO)3{h6-(((3,5-CH3)C6H3)BPPh3)Cr(CO)3}]","","- C61 H65 B Cr2 N O6 P3 -","- C61 H65 B Cr2 N O6 P3 -","- C244 H260 B4 Cr8 N4 O24 P12 -","4","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0966","0.076","","","0.1841","0.1973","","","","","","1.074","","","","has coordinates,has disorder","220619","2020-10-21","18:00:00",""
"7701471","12.1744","0.0003","12.4671","0.0003","16.7201","0.0004","70.504","0.001","73.136","0.001","73.702","0.001","2241.36","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 Cl N3 O3 P2 Ru -","- C49 H42 Cl N3 O3 P2 Ru -","- C98 H84 Cl2 N6 O6 P4 Ru2 -","2","1","","Maji, Milan; Kundu, Sabuj","Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines","Dalton Transactions","2019","","","","","10.1039/C9DT04040D","","","0.71073","MoKα","","0.0509","0.0386","","","0.0847","0.0903","","","","","","1.029","","","","has coordinates","223274","2020-10-21","18:00:00",""
"7701472","19.4234","0.0008","14.5749","0.0007","16.5414","0.0007","90","","90","","90","","4682.8","0.4","100","2","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","complex_C","","- C51 H45 Cl3 N3 O2 P2 Ru -","- C51 H45 Cl3 N3 O2 P2 Ru -","- C204 H180 Cl12 N12 O8 P8 Ru4 -","4","0.5","","Maji, Milan; Kundu, Sabuj","Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines","Dalton Transactions","2019","","","","","10.1039/C9DT04040D","","","0.71073","MoKα","","0.0688","0.0501","","","0.09","0.0984","","","","","","1.168","","","","has coordinates,has disorder","223274","2020-10-21","18:00:00",""
"7701473","9.693","0.005","24.331","0.005","19.244","0.005","90","0.005","91.923","0.005","90","0.005","4536","3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H46 Cl N3 O P2 Ru -","- C55 H46 Cl N3 O P2 Ru -","- C220 H184 Cl4 N12 O4 P8 Ru4 -","4","1","","Maji, Milan; Kundu, Sabuj","Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines","Dalton Transactions","2019","","","","","10.1039/C9DT04040D","","","0.71073","MoKα","","0.0977","0.0502","","","0.1122","0.1406","","","","","","1.082","","","","has coordinates","223274","2020-10-21","18:00:00",""
"7701474","9.806","0.005","22.261","0.005","19.795","0.005","90","0.005","95.099","0.005","90","0.005","4304","3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H44 Cl N3 O P2 Ru -","- C53 H45 Cl N3 O P2 Ru -","- C212 H180 Cl4 N12 O4 P8 Ru4 -","4","1","","Maji, Milan; Kundu, Sabuj","Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines","Dalton Transactions","2019","","","","","10.1039/C9DT04040D","","","0.71073","MoKα","","0.1194","0.0566","","","0.1133","0.1334","","","","","","1.007","","","","has coordinates","223274","2020-10-21","18:00:00",""
"7701475","8.0083","0.0016","9.2891","0.0019","18.572","0.004","90","","96.23","0.03","90","","1373.4","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl4 Ga P S2 -","- C7 H6 Cl4 Ga P S2 -","- C28 H24 Cl16 Ga4 P4 S8 -","4","1","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.0607","0.0464","","","0.1087","0.1186","","","","","","1.062","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701476","9.0077","0.0006","9.3261","0.0007","11.6087","0.0007","69.446","0.006","77.324","0.005","79.406","0.006","884.76","0.11","423","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 I P S2 -","- C6 H4 I P S2 -","- C24 H16 I4 P4 S8 -","4","2","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.0499","0.034","","","0.0652","0.0742","","","","","","1.013","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701477","8.1065","0.0005","8.4575","0.0005","13.4463","0.0008","90","","93.273","0.006","90","","920.38","0.1","423","2","423","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br P S2 -","- C7 H6 Br P S2 -","- C28 H24 Br4 P4 S8 -","4","1","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.0486","0.036","","","0.0822","0.0899","","","","","","1.03","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701478","8.9636","0.0005","9.1854","0.0007","11.384","0.001","69.213","0.007","73.956","0.006","78.555","0.005","836.88","0.12","423","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 Br P S2 -","- C6 H4 Br P S2 -","- C24 H16 Br4 P4 S8 -","4","2","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.0468","0.0324","","","0.0527","0.0595","","","","","","0.973","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701479","7.9254","0.0002","14.9999","0.0005","7.5269","0.0002","90","","91.739","0.003","90","","894.39","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl P S2 -","- C7 H6 Cl P S2 -","- C28 H24 Cl4 P4 S8 -","4","1","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","1.54178","CuKα","","0.036","0.0329","","","0.0856","0.0889","","","","","","1.027","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701480","7.2588","0.0015","6.1271","0.0012","15.846","0.003","90","","104.17","0.03","90","","683.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 P2 S4 -","- C12 H8 P2 S4 -","- C24 H16 P4 S8 -","2","0.5","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.081","0.0634","","","0.1661","0.1747","","","","","","1.072","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701481","5.9973","0.0004","17.0236","0.0015","7.9817","0.0005","90","","97.205","0.007","90","","808.46","0.1","423","2","423","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Cl P S2 -","- C6 H4 Cl P S2 -","- C24 H16 Cl4 P4 S8 -","4","1","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.0517","0.0342","","","0.0653","0.0701","","","","","","1.017","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701482","9.6874","0.0007","12.2726","0.0009","8.3795","0.0007","90","","102.702","0.008","90","","971.85","0.13","423","2","423","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 I P S2 -","- C7 H6 I P S2 -","- C28 H24 I4 P4 S8 -","4","1","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.0446","0.0327","","","0.0641","0.0715","","","","","","1.05","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701483","12.134","0.002","12.134","0.002","11.246","0.002","90","","90","","120","","1434","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C21 H18 N P3 S6 -","- C21 H18 N P3 S6 -","- C42 H36 N2 P6 S12 -","2","0.333333","","Ould, Darren; Tran, Thao Thi-Phuong; Rawson, Jeremy Michael; Melen, Rebecca","Structure-property-reactivity studies on dithiaphospholes","Dalton Transactions","2019","","","","","10.1039/C9DT03577J","","","0.71073","MoKα","","0.1047","0.0984","","","0.2682","0.2838","","","","","","1.093","","","","has coordinates","223275","2020-10-21","18:00:00",""
"7701484","6.734","0.0007","16.637","0.002","10.0554","0.0011","90","","102.871","0.009","90","","1098.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu N4 O4 -","- C26 H22 Cu N4 O4 -","- C52 H44 Cu2 N8 O8 -","2","0.5","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","","0.71073","MoKα","","0.0509","0.0379","","","0.0933","0.1061","","","","","","1.063","","","","has coordinates","223276","2020-10-21","18:00:00",""
"7701485","13.678","0.002","12.3462","0.0017","14.989","0.003","90","","116.006","0.013","90","","2274.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu N4 O4 -","- C26 H22 Cu N4 O4 -","- C104 H88 Cu4 N16 O16 -","4","1","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","","0.71073","MoKα","","0.1038","0.0517","","","0.1033","0.1227","","","","","","1.008","","","","has coordinates","223276","2020-10-21","18:00:00",""
"7701486","7.188","0.0005","11.6234","0.0009","14.5327","0.001","73.227","0.005","80.921","0.005","74.794","0.006","1117.4","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cu N4 O4 -","- C26 H22 Cu N4 O4 -","- C52 H44 Cu2 N8 O8 -","2","1","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","x-ray","0.71073","MoKα","","0.1014","0.0767","","","0.2075","0.2278","","","","","","1.037","","","","has coordinates","223276","2020-10-21","18:00:00",""
"7701487","11.875","0.008","10.802","0.008","20.684","0.013","90","","93.88","0.05","90","","2647","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O4 Zn -","- C26 H22 N4 O4 Zn -","- C104 H88 N16 O16 Zn4 -","4","1","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","","0.71073","MoKα","","0.0897","0.0578","","","0.1719","0.2305","","","","","","1.059","","","","has coordinates","223276","2020-10-21","18:00:00",""
"7701488","12.7455","0.0016","15.144","0.0014","12.909","0.0017","90","","113.752","0.01","90","","2280.6","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O4 Zn -","- C26 H22 N4 O4 Zn -","- C104 H88 N16 O16 Zn4 -","4","1","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","","0.71073","MoKα","","0.0622","0.0493","","","0.1269","0.143","","","","","","1.007","","","","has coordinates","223276","2020-10-21","18:00:00",""
"7701489","20.374","0.006","14.738","0.003","22.538","0.007","90","","110.75","0.02","90","","6329","3","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C62 H66 Cu2 N8 O19 Zn2 -","- C62 H66 Cu2 N8 O19 Zn2 -","- C248 H264 Cu8 N32 O76 Zn8 -","4","0.5","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","x-ray","0.71073","MoKα","","0.1014","0.0569","","","0.1083","0.1305","","","","","","1.053","","","","has coordinates,has disorder","223276","2020-10-21","18:00:00",""
"7701490","8.218","0.0005","8.5732","0.0006","10.1631","0.0009","100.133","0.006","110.494","0.006","98.773","0.005","642.21","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cu N4 O6 -","- C28 H30 Cu N4 O6 -","- C28 H30 Cu N4 O6 -","1","0.5","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","x-ray","0.71073","MoKα","","0.0378","0.0319","","","0.0807","0.0829","","","","","","1.039","","","","has coordinates","223276","2020-10-21","18:00:00",""
"7701491","28.1585","0.0017","28.1585","0.0017","13.456","0.0016","90","","90","","90","","10669.3","1.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H26 Ca N4 O9 -","- C21 H19 Ca N3 O8 -","- C336 H304 Ca16 N48 O128 -","16","1","","You, Ming-Hua; Li, Meng-Hua; Li, Hao-Hong; Chen, Yong; Lin, Mei-Jin","The impact of metal cations on photochemical properties of hybrid heterostructures with infinite alkaline-earth metal oxide clusters","Dalton Transactions","2019","","","","","10.1039/C9DT04104D","","","0.71073","MoKα","","0.1356","0.0702","","","0.154","0.1773","","","","","","0.992","","","","has coordinates","223277","2020-10-21","18:00:00",""
"7701492","28.614","0.004","28.614","0.004","13.749","0.003","90","","90","","90","","11257","3","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H26 N4 O9 Sr -","- C21 H19 N3 O8 Sr -","- C336 H304 N48 O128 Sr16 -","16","1","","You, Ming-Hua; Li, Meng-Hua; Li, Hao-Hong; Chen, Yong; Lin, Mei-Jin","The impact of metal cations on photochemical properties of hybrid heterostructures with infinite alkaline-earth metal oxide clusters","Dalton Transactions","2019","","","","","10.1039/C9DT04104D","","","0.71073","MoKα","","0.0869","0.0563","","","0.1491","0.1652","","","","","","1.029","","","","has coordinates","223277","2020-10-21","18:00:00",""
"7701493","14.9084","0.0004","20.8427","0.0007","19.5727","0.0005","90","","90","","90","","6081.9","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H62 Br18 In4 N6 O -","- C24 H62 Br18 In4 N6 O -","- C96 H248 Br72 In16 N24 O4 -","4","1","","Xin, Wen-Bo; Xu, Guan-Cheng; Li, Min","Synthesis and Characterization of a New Organic-inorganic Hybrid Ferroelectric: (C4H10N)6[InBr6][InBr4]3•H2O","Dalton Transactions","2019","","","","","10.1039/C9DT03970H","","x-ray","1.54184","CuKα","","0.0881","0.081","","","0.2069","0.2131","","","","","","1.113","","","","has coordinates","223278","2020-10-21","18:00:00",""
"7701494","21.2507","0.0017","19.9219","0.0014","14.9429","0.001","90","","90","","90","","6326.1","0.8","300.01","0.1","300.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H60 Br18 In4 N6 -","- C24 H60 Br18 In4 N6 -","- C96 H240 Br72 In16 N24 -","4","0.5","","Xin, Wen-Bo; Xu, Guan-Cheng; Li, Min","Synthesis and Characterization of a New Organic-inorganic Hybrid Ferroelectric: (C4H10N)6[InBr6][InBr4]3•H2O","Dalton Transactions","2019","","","","","10.1039/C9DT03970H","","x-ray","1.54184","CuKα","","0.1441","0.0873","","","0.238","0.2835","","","","","","0.997","","","","has coordinates","223278","2020-10-21","18:00:00",""
"7701495","12.208","0.004","10.682","0.004","12.683","0.005","90","","114.953","0.004","90","","1499.5","1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 H22 Mg O18 -","- B4 H22 Mg O18 -","- B16 H88 Mg4 O72 -","4","1","","Wang, Ya; Han, Jian; Guo, Fengjiao; Cheng, Shichao; Yang, Zhihua; Pan, Shilie","Mg(H2O)6B4O5(OH)4(H2O)3: A new hydrated borate with a short DUV cutoff edge","Dalton Transactions","2019","","","","","10.1039/C9DT03401C","","","0.71073","MoKα","","0.0789","0.0462","","","0.0976","0.1143","","","","","","1.0153","","","","has coordinates","223279","2020-10-21","18:00:00",""
"7701496","10.6513","0.0005","10.6513","0.0005","10.6513","0.0005","90","","90","","90","","1208.39","0.1","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- H36 K6 Mo4.55 O58.28 P V7.45 -","- H36 K6 Mo4.5504 O58.3 P V7.4496 -","- H36 K6 Mo4.5504 O58.3 P V7.4496 -","1","0.0208333","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Zhang, Jin; Liu, Jian-Lan; Liu, Longwen; Ren, XiaoMing","CsCl-type inorganic cluster-based high-symmetry crystal built from {Mo4.55V7.45PO40}10.45− with high ratio of vanadium to molybdenum and {H2O0.3@K6(H2O)12}6+ clusters exhibiting proton conduction below the freezing point of water","Dalton Transactions","2019","","","","","10.1039/C9DT03960K","","","0.71073","MoKα","","0.079","0.0754","","","0.2399","0.2424","","","","","","1.066","","","","has coordinates","223280","2020-10-21","18:00:00",""
"7701497","7.017","0.0006","10.0069","0.0008","11.4671","0.0009","90","","94.909","0.007","90","","802.25","0.11","284","11","284","11","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 Mn0.5 N O5 -","- C8 H8 Mn0.5 N O5 -","- C32 H32 Mn2 N4 O20 -","4","1","","Yang, Xiao-Gang; Zhai, Zhi-Min; Lu, Xiao-Min; Zhao, Ying; Chang, Xin-Hong; Ma, Lu-Fang","Room temperature phosphorescence of Mn(ii) and Zn(ii) coordination polymers for photoelectron response applications.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10785","10789","10.1039/c9dt02178g","","x-ray","0.71073","MoKα","","0.065","0.0531","","","0.1393","0.149","","","","","","1.0115","","","","has coordinates","223288","2020-10-21","18:00:00",""
"7701498","9.0595","0.0009","8.2813","0.0007","11.6454","0.0013","90","","100.894","0.01","90","","857.94","0.15","291.89","0.16","291.89","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N O5 Zn -","- C8 H7 N O5 Zn -","- C32 H28 N4 O20 Zn4 -","4","1","","Yang, Xiao-Gang; Zhai, Zhi-Min; Lu, Xiao-Min; Zhao, Ying; Chang, Xin-Hong; Ma, Lu-Fang","Room temperature phosphorescence of Mn(ii) and Zn(ii) coordination polymers for photoelectron response applications.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10785","10789","10.1039/c9dt02178g","","x-ray","0.71073","MoKα","","0.1212","0.0599","","","0.0969","0.1167","","","","","","0.9113","","","","has coordinates","223288","2020-10-21","18:00:00",""
"7701499","9.2308","0.0005","11.5172","0.0006","13.2387","0.0006","64.958","0.001","75.308","0.001","66.788","0.001","1165.54","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H80 Si12 -","- C32 H80 Si12 -","- C32 H80 Si12 -","1","0.5","","Nukazawa, Takumi; Kosai, Tomoyuki; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Reactions of a tetrasilabicyclo[1.1.0]but-1(3)-ene with carbon tetrachloride and methanol.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10874","10880","10.1039/c9dt01627a","","","0.71073","MoKα","","0.0485","0.0333","","","0.0787","0.0832","","","","","","1.012","","","","has coordinates","223290","2020-10-21","18:00:00",""
"7701500","18.4326","0.0008","12.7398","0.0006","23.2524","0.001","90","","93.1569","0.0012","90","","5452","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H91 Cl2 O Si12 -","- C36 H91 Cl2 O Si12 -","- C144 H364 Cl8 O4 Si48 -","4","1","","Nukazawa, Takumi; Kosai, Tomoyuki; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Reactions of a tetrasilabicyclo[1.1.0]but-1(3)-ene with carbon tetrachloride and methanol.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10874","10880","10.1039/c9dt01627a","","","0.71073","MoKα","","0.0504","0.0428","","","0.1065","0.113","","","","","","1.06","","","","has coordinates,has disorder","223290","2020-10-21","18:00:00",""
"7701501","10.6683","0.0005","10.7582","0.0005","12.9529","0.0006","69.02","0.001","84.521","0.001","65.652","0.001","1262.24","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Cl4 Si12 -","- C32 H80 Cl4 Si12 -","- C32 H80 Cl4 Si12 -","1","0.5","","Nukazawa, Takumi; Kosai, Tomoyuki; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Reactions of a tetrasilabicyclo[1.1.0]but-1(3)-ene with carbon tetrachloride and methanol.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10874","10880","10.1039/c9dt01627a","","","0.71073","MoKα","","0.0387","0.0318","","","0.0779","0.0816","","","","","","1.049","","","","has coordinates","223290","2020-10-21","18:00:00",""
"7701502","11.3627","0.0005","16.4034","0.0008","17.0141","0.0008","112.053","0.001","94.225","0.001","109.529","0.001","2697.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H92 O3 Si12 -","- C35 H92 O3 Si12 -","- C70 H184 O6 Si24 -","2","1","","Nukazawa, Takumi; Kosai, Tomoyuki; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Reactions of a tetrasilabicyclo[1.1.0]but-1(3)-ene with carbon tetrachloride and methanol.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10874","10880","10.1039/c9dt01627a","","","0.71073","MoKα","","0.0313","0.0273","","","0.0751","0.0785","","","","","","1.031","","","","has coordinates","223290","2020-10-21","18:00:00",""
"7701503","11.7581","0.0005","20.4191","0.0009","23.6336","0.001","99.419","0.001","104.258","0.001","94.129","0.001","5387.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H80 Cl6 Si12 -","- C32 H80 Cl6 Si12 -","- C128 H320 Cl24 Si48 -","4","2","","Nukazawa, Takumi; Kosai, Tomoyuki; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Reactions of a tetrasilabicyclo[1.1.0]but-1(3)-ene with carbon tetrachloride and methanol.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10874","10880","10.1039/c9dt01627a","","","0.71073","MoKα","","0.043","0.033","","","0.0861","0.0913","","","","","","1.023","","","","has coordinates","223290","2020-10-21","18:00:00",""
"7701504","31.01","0.0017","31.01","0.0017","36.8077","0.0019","90","","90","","90","","35395","3","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C816.48 H1866.24 In112 N116.64 Se226.32 -","- In112 Se226.256 -","- In112 Se226.256 -","1","0.0625","","Xue, Chaozhuang; Zhang, Li; Wang, Xiaoli; Wang, Xiang; Zhang, Jiaxu; Wu, Tao","Highly open chalcogenide frameworks built from unusual defective supertetrahedral clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10799","10803","10.1039/c9dt01754b","","","0.71073","MoKα","","0.1083","0.066","","","0.1835","0.2165","","","","","","1.028","","","","has coordinates,has disorder","223291","2020-10-21","18:00:00",""
"7701505","27.6136","0.001","24.8147","0.0009","24.093","0.0008","90","","93.616","0.001","90","","16476.2","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C347.64 H811.16 In60 N57.94 Se118.97 -","- In60 Se118.968 -","- In60 Se118.968 -","1","0.125","","Xue, Chaozhuang; Zhang, Li; Wang, Xiaoli; Wang, Xiang; Zhang, Jiaxu; Wu, Tao","Highly open chalcogenide frameworks built from unusual defective supertetrahedral clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10799","10803","10.1039/c9dt01754b","","","0.71073","MoKα","","0.0873","0.0519","","","0.1704","0.196","","","","","","1.147","","","","has coordinates,has disorder","223291","2020-10-21","18:00:00",""
"7701506","18.405","0.004","8.2958","0.0016","13.23","0.003","90","","103.962","0.008","90","","1960.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br N5 -","- C23 H18 Br N5 -","- C92 H72 Br4 N20 -","4","1","","Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.","Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10464","10478","10.1039/c9dt01238a","","","0.71073","MoKα","","0.1002","0.0527","","","0.1007","0.1203","","","","","","1.041","","","","has coordinates","223292","2020-10-21","18:00:00",""
"7701507","37.232","0.003","11.333","0.0011","11.6674","0.001","90","","107.494","0.003","90","","4695.4","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.55 H18.2 Br Cl2 Cu N5 O0.55 -","- C22.55 H18.2 Br Cl2 Cu N5 O0.55 -","- C180.4 H145.6 Br8 Cl16 Cu8 N40 O4.4 -","8","1","","Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.","Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10464","10478","10.1039/c9dt01238a","","","0.71073","MoKα","","0.0745","0.0599","","","0.1537","0.165","","","","","","1.149","","","","has coordinates,has disorder","223292","2020-10-21","18:00:00",""
"7701508","9.7602","0.0013","13.4027","0.0015","20.685","0.002","98.235","0.004","92.013","0.005","93.367","0.004","2670.7","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.6 H27.9 Cl2 Cu N6.2 O1.45 -","- C26.6 H27.9 Cl2 Cu N6.2 O1.45 -","- C106.4 H111.6 Cl8 Cu4 N24.8 O5.8 -","4","2","","Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.","Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10464","10478","10.1039/c9dt01238a","","","0.71073","MoKα","","0.2119","0.0725","","","0.125","0.1719","","","","","","0.943","","","","has coordinates,has disorder","223292","2020-10-21","18:00:00",""
"7701509","10.3347","0.0004","23.4454","0.0007","11.0757","0.0004","90","","117.731","0.0012","90","","2375.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl Cu N6 O -","- C26 H25 Cl Cu N6 O -","- C104 H100 Cl4 Cu4 N24 O4 -","4","1","","Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.","Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10464","10478","10.1039/c9dt01238a","","","0.71073","MoKα","","0.1187","0.0566","","","0.1204","0.1597","","","","","","1.031","","","","has coordinates","223292","2020-10-21","18:00:00",""
"7701510","12.053","0.0009","16.7234","0.0014","17.8152","0.0015","105.698","0.003","105.962","0.003","106.665","0.003","3060.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H32 Br Cl2 Cu N7 O2 -","- C29 H32 Br Cl2 Cu N7 O2 -","- C116 H128 Br4 Cl8 Cu4 N28 O8 -","4","2","","Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.","Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10464","10478","10.1039/c9dt01238a","","","0.71073","MoKα","","0.0958","0.0498","","","0.0984","0.1177","","","","","","1.024","","","","has coordinates","223292","2020-10-21","18:00:00",""
"7701511","13.0443","0.0003","14.9957","0.0003","20.2999","0.0004","92.0747","0.0008","103.491","0.0008","112.405","0.0008","3535.02","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H67.5 Cl6 Cu3 N17 O3.25 -","- C72 H67.5 Cl6 Cu3 N17 O3.25 -","- C144 H135 Cl12 Cu6 N34 O6.5 -","2","1","","Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.","Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10464","10478","10.1039/c9dt01238a","","","0.71073","MoKα","","0.0465","0.0387","","","0.0938","0.0984","","","","","","1.033","","","","has coordinates,has disorder","223292","2020-10-21","18:00:00",""
"7701512","13.8143","0.0011","31.128","0.003","11.9196","0.001","90","","90","","90","","5125.6","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C72 H114 N8 Ni8 O37 -","- C72 H102 N8 Ni8 O37 -","- C144 H204 N16 Ni16 O74 -","2","0.25","","Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert","{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10427","10434","10.1039/c9dt01026b","","","0.71073","MoKα","","0.0594","0.0452","","","0.1093","0.1181","","","","","","1.065","","","","has coordinates","223293","2020-10-21","18:00:00",""
"7701513","11.9664","0.001","13.8139","0.0011","14.2301","0.0012","90","","90","","90","","2352.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C77 H109 N8 Ni8 O30 -","- C77 H103 N8 Ni8 O30 -","- C77 H103 N8 Ni8 O30 -","1","0.25","","Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert","{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10427","10434","10.1039/c9dt01026b","","","0.71073","MoKα","","0.0456","0.0442","","","0.1069","0.1076","","","","","","1.21","","","","has coordinates,has disorder","223293","2020-10-21","18:00:00",""
"7701514","12.548","0.003","20.583","0.006","12.063","0.003","90","","114.276","0.01","90","","2840.1","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H68 N4 Ni4 O12 -","- C48 H68 N4 Ni4 O12 -","- C96 H136 N8 Ni8 O24 -","2","0.5","","Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert","{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10427","10434","10.1039/c9dt01026b","","","0.71073","MoKα","","0.0532","0.0495","","","0.1148","0.1183","","","","","","1.087","","","","has coordinates","223293","2020-10-21","18:00:00",""
"7701515","12.1052","0.0004","14.0841","0.0005","18.5379","0.0006","90.991","0.001","108.95","0.001","114.429","0.001","2679.13","0.16","130","2","130","","","","","","","","","4","P -1","-P 1","2","Co(Aracac)2","","","- C62 H70 Co O4 -","- C62 H70 Co O4 -","- C124 H140 Co2 O8 -","2","1","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0525","0.039","","","0.0872","0.0963","","","","","","1.07","","","","has coordinates","223294","2020-10-21","18:00:00",""
"7701516","35.001","0.009","35.001","","10.84","0.003","90","","90","","90","","13280","5","200","2","200.15","","","","","","","","","4","P 42/n :2","-P 4bc","86","Co(Aracac)2(THF)2-cis","","","- C70 H86 Co O6 -","- C70 H86 Co O6 -","- C560 H688 Co8 O48 -","8","1","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0585","0.0471","","","0.1099","0.1162","","","","","","1.078","","","","has coordinates,has disorder","223294","2020-10-21","18:00:00",""
"7701517","12.094","0.0015","14.059","0.0017","18.544","0.003","91.169","0.007","108.967","0.005","114.344","0.005","2672.7","0.7","121","2","121.58","","","","","","","","","4","P -1","-P 1","2","Zn(Aracac)2","","","- C62 H70 O4 Zn -","- C62 H70 O4 Zn -","- C124 H140 O8 Zn2 -","2","1","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0572","0.0391","","","0.0865","0.0941","","","","","","1.031","","","","has coordinates","223294","2020-10-21","18:00:00",""
"7701518","34.764","0.004","34.764","0.004","10.7447","0.0014","90","","90","","90","","12985","3","100","2","100.01","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C70 H86 Ni O6 -","- C70 H86 Ni O6 -","- C560 H688 Ni8 O48 -","8","1","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0476","0.0366","","","0.0896","0.0952","","","","","","1.018","","","","has coordinates","223294","2020-10-21","18:00:00",""
"7701519","11.716","0.011","12.487","0.013","12.734","0.013","105.24","0.05","100.5","0.04","116.15","0.04","1515","3","134","2","134.47","","","","","","","","","4","P -1","-P 1","2","Co(Aracac)2(THF)2-trans","","","- C70 H86 Co O6 -","- C69.994 H85.982 Co O6 -","- C69.994 H85.982 Co O6 -","1","0.5","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.054","0.0431","","","0.1023","0.1103","","","","","","1.107","","","","has coordinates,has disorder","223294","2020-10-21","18:00:00",""
"7701520","19.3812","0.0014","13.0038","0.001","21.0359","0.0016","90","","90.462","0.004","90","","5301.5","0.7","124","2","124.17","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cu(Aracac)2","","","- C62 H70 Cu O4 -","- C62 H70 Cu O4 -","- C248 H280 Cu4 O16 -","4","0.5","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0888","0.0519","","","0.1069","0.1209","","","","","","1.046","","","","has coordinates","223294","2020-10-21","18:00:00",""
"7701521","19.3376","0.0006","13.0912","0.0004","20.9186","0.0006","90","","90.091","0.001","90","","5295.6","0.3","113","2","113.61","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Ni O4 -","- C62 H70 Ni O4 -","- C248 H280 Ni4 O16 -","4","0.5","","Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.","Sterically encumbered β-diketonates and base metal catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10714","10722","10.1039/c9dt02293g","","","0.71073","MoKα","","0.0503","0.0384","","","0.1029","0.1084","","","","","","1.059","","","","has coordinates","223294","2020-10-21","18:00:00",""
"7701522","9.9531","0.0005","10.9403","0.0006","19.9308","0.0011","90.413","0.001","101.939","0.001","95.382","0.001","2113.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N2 Ni O4 -","- C46 H60 N2 Ni O4 -","- C92 H120 N4 Ni2 O8 -","2","1","","Bubnov, Michael P.; Cherkasov, Vladimir K.; Teplova, Irina A.; Druzhkov, Nickolay O.; Grishin, Ivan D.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Abakumov, Gleb A.","Novel dioxolene nickel complexes with sterically hindered diazabutadienes. Coupling of aza-ligands coordinated to nickel.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10516","10525","10.1039/c9dt01309a","","","0.71073","MoKα","","0.0504","0.0362","","","0.0872","0.0912","","","","","","1.031","","","","has coordinates,has disorder","223295","2020-10-21","18:00:00",""
"7701523","16.2618","0.0003","16.2618","0.0003","35.9463","0.0016","90","","90","","90","","9505.9","0.5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C52 H72 N2 Ni O4 -","- C52 H72 N2 Ni O4 -","- C416 H576 N16 Ni8 O32 -","8","0.5","","Bubnov, Michael P.; Cherkasov, Vladimir K.; Teplova, Irina A.; Druzhkov, Nickolay O.; Grishin, Ivan D.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Abakumov, Gleb A.","Novel dioxolene nickel complexes with sterically hindered diazabutadienes. Coupling of aza-ligands coordinated to nickel.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10516","10525","10.1039/c9dt01309a","","","0.71073","MoKα","","0.0417","0.0336","","","0.0815","0.0863","","","","","","1.01","","","","has coordinates,has disorder","223295","2020-10-21","18:00:00",""
"7701524","21.1226","0.0004","10.1615","0.0002","22.9105","0.0004","90","","90","","90","","4917.45","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C56 H78 N4 -","- C56 H78 N4 -","- C224 H312 N16 -","4","0.5","","Bubnov, Michael P.; Cherkasov, Vladimir K.; Teplova, Irina A.; Druzhkov, Nickolay O.; Grishin, Ivan D.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Abakumov, Gleb A.","Novel dioxolene nickel complexes with sterically hindered diazabutadienes. Coupling of aza-ligands coordinated to nickel.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10516","10525","10.1039/c9dt01309a","","","0.71073","MoKα","","0.0675","0.0456","","","0.0987","0.1063","","","","","","1.035","","","","has coordinates","223295","2020-10-21","18:00:00",""
"7701525","21.479","0.003","14.943","0.002","23.534","0.004","90","","92.81","0.003","90","","7544.4","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H120 N2 Ni O6 -","- C78 H120 N2 Ni O6 -","- C312 H480 N8 Ni4 O24 -","4","0.5","","Bubnov, Michael P.; Cherkasov, Vladimir K.; Teplova, Irina A.; Druzhkov, Nickolay O.; Grishin, Ivan D.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Abakumov, Gleb A.","Novel dioxolene nickel complexes with sterically hindered diazabutadienes. Coupling of aza-ligands coordinated to nickel.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10516","10525","10.1039/c9dt01309a","","","0.71073","MoKα","","0.1854","0.0896","","","0.1392","0.1554","","","","","","0.977","","","","has coordinates,has disorder","223295","2020-10-21","18:00:00",""
"7701526","15.2228","0.0006","10.2158","0.0004","14.4221","0.0005","90","","110.266","0.004","90","","2103.98","0.15","100","2","100","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C16 H18 Co N10 O8 -","- C16 H18 Co N10 O8 -","- C64 H72 Co4 N40 O32 -","4","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0368","0.0324","","","0.0745","0.0777","","","","","","1.048","","","","has coordinates","223296","2020-10-21","18:00:00",""
"7701527","12.1261","0.0008","31.41","0.002","13.6475","0.001","90","","109.637","0.001","90","","4895.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Co2 N18 O13 -","- C34 H44 Co2 N18 O13 -","- C136 H176 Co8 N72 O52 -","4","1","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0624","0.0519","","","0.1309","0.1392","","","","","","1.079","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701528","8.1311","0.0006","27.5357","0.0019","10.5281","0.0007","90","","102.112","0.001","90","","2304.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N10 Ni O10 -","- C16 H22 N10 Ni O10 -","- C64 H88 N40 Ni4 O40 -","4","1","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0694","0.0429","","","0.0919","0.1071","","","","","","1.036","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701529","14.527","0.005","12.915","0.005","18.114","0.004","90","","125.778","0.018","90","","2757.1","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 B2 F8 Fe2 N16 O10 -","- C44 H56 B2 F8 Fe2 N16 O10 -","- C88 H112 B4 F16 Fe4 N32 O20 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0485","0.0342","","","0.0856","0.0898","","","","","","1.066","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701530","12.445","0.005","15.122","0.005","16.263","0.005","90","","128.124","0.019","90","","2407.7","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 F8 Fe2 N16 O4 -","- C36 H32 B2 F8 Fe2 N16 O4 -","- C72 H64 B4 F16 Fe4 N32 O8 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0731","0.0551","","","0.1562","0.1631","","","","","","1.097","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701531","14.538","0.005","12.883","0.005","18.054","0.004","90","","125.5","0.018","90","","2752.8","1.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 B2 Co2 F8 N16 O10 -","- C44 H56 B2 Co2 F8 N16 O10 -","- C88 H112 B4 Co4 F16 N32 O20 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0339","0.0278","","","0.073","0.0746","","","","","","1.053","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701532","12.3683","0.0003","15.2467","0.0003","16.1543","0.0004","90","","128.416","0.002","90","","2386.84","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cl2 N16 Ni2 O12 -","- C36 H32 Cl2 N16 Ni2 O12 -","- C72 H64 Cl4 N32 Ni4 O24 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0647","0.0517","","","0.1502","0.1555","","","","","","1.058","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701533","14.649","0.005","12.745","0.005","17.96","0.004","90","","125.061","0.018","90","","2744.7","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl2 N16 Ni2 O18 -","- C44 H56 Cl2 N16 Ni2 O18 -","- C88 H112 Cl4 N32 Ni4 O36 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0705","0.0474","","","0.1225","0.1321","","","","","","0.949","","","","has coordinates","223296","2020-10-21","18:00:00",""
"7701534","12.203","0.002","29.025","0.006","15.894","0.003","90","","107.88","0.03","90","","5358","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N20 Ni2 O18 -","- C36 H48 N20 Ni2 O18 -","- C144 H192 N80 Ni8 O72 -","4","1","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.1044","0.0601","","","0.153","0.1689","","","","","","1.012","","","","has coordinates,has disorder","223296","2020-10-21","18:00:00",""
"7701535","16.1207","0.0019","42.286","0.005","15.3893","0.0018","90","","90","","90","","10491","2","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C72 H114 Co4 N40 O45 -","- C72 H114 Co4 N40 O45 -","- C288 H456 Co16 N160 O180 -","4","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0934","0.0707","","","0.1636","0.1707","","","","","","1.149","","","","has coordinates","223296","2020-10-21","18:00:00",""
"7701536","10.679","0.002","19.037","0.003","20.054","0.003","104.98","0.02","102.8","0.02","102.62","0.02","3672.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 B F N2 -","- C40 H62 B F N2 -","- C160 H248 B4 F4 N8 -","4","2","","Sarkar, Samir Kumar; Siddiqui, Mujahuddin M.; Kundu, Subrata; Ghosh, Munmun; Kretsch, Johannes; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Stückl, A Claudia; Schwederski, Brigitte; Kaim, Wolfgang; Ghorai, Sagar; Jemmis, Eluvathingal D.; Roesky, Herbert W.","Isolation of base stabilized fluoroborylene and its radical cation.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8551","8555","10.1039/c9dt01899a","","","0.71073","MoKα","","0.0609","0.0413","","","0.0915","0.102","","","","","","1.01","","","","has coordinates","223297","2020-10-21","18:00:00",""
"7701537","27.121","0.004","28.125","0.004","21.074","0.003","90","","128.85","0.02","90","","12519","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H132 B4 F42 N4 -","- C135 H132 B4 F42 N4 -","- C540 H528 B16 F168 N16 -","4","0.5","","Sarkar, Samir Kumar; Siddiqui, Mujahuddin M.; Kundu, Subrata; Ghosh, Munmun; Kretsch, Johannes; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Stückl, A Claudia; Schwederski, Brigitte; Kaim, Wolfgang; Ghorai, Sagar; Jemmis, Eluvathingal D.; Roesky, Herbert W.","Isolation of base stabilized fluoroborylene and its radical cation.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8551","8555","10.1039/c9dt01899a","","","0.71073","MoKα","","0.0967","0.0729","","","0.1444","0.1538","","","","","","1.223","","","","has coordinates,has disorder","223297","2020-10-21","18:00:00",""
"7701538","5.4263","0.0001","6.844","0.0001","20.3202","0.0003","90","","90","","90","","754.64","0.02","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N2 Na O3 -","- C6 H9 N2 Na O3 -","- C24 H36 N8 Na4 O12 -","4","1","","Borrego, Elena; Nicasio, Antonio I.; Álvarez, Eleuterio; Montilla, Francisco; Córdoba, José Manuel; Galindo, Agustín","Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8731","8739","10.1039/c9dt01237k","","","0.71073","MoKα","","0.0224","0.0222","","","0.0597","0.0598","","","","","","1.085","","","","has coordinates","223298","2020-10-21","18:00:00",""
"7701539","8.9371","0.0016","5.9272","0.0014","10.126","0.002","90","","100.986","0.01","90","","526.56","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 N2 Na O2 -","- C9 H13 N2 Na O2 -","- C18 H26 N4 Na2 O4 -","2","1","","Borrego, Elena; Nicasio, Antonio I.; Álvarez, Eleuterio; Montilla, Francisco; Córdoba, José Manuel; Galindo, Agustín","Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8731","8739","10.1039/c9dt01237k","","","0.71073","MoKα","","0.026","0.0242","","","0.0636","0.0647","","","","","","1.042","","","","has coordinates","223298","2020-10-21","18:00:00",""
"7701540","7.3765","0.001","5.4966","0.0007","9.5682","0.0011","90","","112.168","0.006","90","","359.27","0.08","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Ag N2 O2 -","- C6 H7 Ag N2 O2 -","- C12 H14 Ag2 N4 O4 -","2","1","","Borrego, Elena; Nicasio, Antonio I.; Álvarez, Eleuterio; Montilla, Francisco; Córdoba, José Manuel; Galindo, Agustín","Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8731","8739","10.1039/c9dt01237k","","","0.71073","MoKα","","0.0751","0.0747","","","0.1874","0.1877","","","","","","1.167","","","","has coordinates","223298","2020-10-21","18:00:00",""
"7701541","9.2104","0.0002","12.9407","0.0004","16.0186","0.0004","90","","101.408","0.002","90","","1871.52","0.09","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H31 Li N2 O Si2 -","- C11 H31 Li N2 O Si2 -","- C44 H124 Li4 N8 O4 Si8 -","4","1","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0733","0.066","","","0.1765","0.1836","","","","","","1.061","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701542","16.133","0.003","10.266","0.002","17.076","0.003","90","","116.86","0.03","90","","2523","1.1","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H44 N3 Na O2 Si2 -","- C16 H44 N3 Na O2 Si2 -","- C64 H176 N12 Na4 O8 Si8 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0673","0.0558","","","0.1375","0.1455","","","","","","1.061","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701543","10.0974","0.0003","10.299","0.0003","10.9912","0.0004","72.113","0.002","65.759","0.001","72.496","0.002","971.55","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H62 N4 O2 Rb2 Si4 -","- C22 H62 N4 O2 Rb2 Si4 -","- C22 H62 N4 O2 Rb2 Si4 -","1","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0669","0.0529","","","0.1264","0.1363","","","","","","1.054","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701544","11.1441","0.0003","11.4784","0.0004","31.0449","0.0009","90","","99.178","0.001","90","","3920.3","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H68 N6 Na2 Si4 -","- C24 H68 N6 Na2 Si4 -","- C96 H272 N24 Na8 Si16 -","4","1","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.1111","0.0783","","","0.1258","0.138","","","","","","1.166","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701545","9.559","0.003","14.979","0.004","17.51","0.006","71.634","0.009","85.046","0.009","78.137","0.009","2328","1.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H38 N Na O4 Si2 -","- C14 H38 N Na O4 Si2 -","- C56 H152 N4 Na4 O16 Si8 -","4","2","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0986","0.0572","","","0.1407","0.1662","","","","","","1.018","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701546","8.6707","0.0002","11.8156","0.0002","20.4375","0.0004","106.144","0.001","95.431","0.001","101.977","0.001","1941.43","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H62 Cs2 N4 O2 Si4 -","- C22 H62 Cs2 N4 O2 Si4 -","- C44 H124 Cs4 N8 O4 Si8 -","2","1","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0309","0.0264","","","0.0556","0.0578","","","","","","1.054","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701547","10.9375","0.0003","11.4382","0.0004","16.0225","0.0007","101.9","0.002","99.249","0.002","108.487","0.002","1804.14","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H56 Cs2 N2 O4 Si4 -","- C20 H56 Cs2 N2 O4 Si4 -","- C40 H112 Cs4 N4 O8 Si8 -","2","1","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.1022","0.0837","","","0.2058","0.2247","","","","","","1.114","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701548","8.9461","0.0003","10.7526","0.0004","10.9069","0.0004","106.864","0.002","102.532","0.001","109.884","0.002","884.21","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H56 K2 N2 O4 Si4 -","- C20 H56 K2 N2 O4 Si4 -","- C20 H56 K2 N2 O4 Si4 -","1","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0361","0.0328","","","0.0814","0.0839","","","","","","1.054","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701549","8.5102","0.0003","11.0496","0.0003","11.1416","0.0003","108.386","0.002","108.706","0.002","101.031","0.001","890.44","0.05","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H56 N2 O4 Rb2 Si4 -","- C20 H56 N2 O4 Rb2 Si4 -","- C20 H56 N2 O4 Rb2 Si4 -","1","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.03","0.0263","","","0.0564","0.0588","","","","","","1.109","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701550","22.5359","0.0018","9.0412","0.0007","21.0299","0.0016","90","","92.682","0.004","90","","4280.2","0.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H68 N6 Rb2 Si4 -","- C24 H68 N6 Rb2 Si4 -","- C96 H272 N24 Rb8 Si16 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.1487","0.0796","","","0.1542","0.1783","","","","","","1.158","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701551","8.8108","0.0002","16.9986","0.0004","19.5944","0.0005","90","","101.657","0.001","90","","2874.15","0.12","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H49 Mg N3 O Si4 -","- C17 H49 Mg N3 O Si4 -","- C68 H196 Mg4 N12 O4 Si16 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0531","0.0444","","","0.1038","0.109","","","","","","1.088","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701552","8.6988","0.0002","17.501","0.0004","19.7454","0.0003","90","","102.331","0.001","90","","2936.65","0.11","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H52 Mg N4 Si4 -","- C18 H52 Mg N4 Si4 -","- C72 H208 Mg4 N16 Si16 -","4","1","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0432","0.0361","","","0.0845","0.0883","","","","","","1.076","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701553","9.7712","0.0003","10.493","0.0004","11.019","0.0004","70.532","0.002","65.43","0.002","73.177","0.002","953.62","0.06","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H62 K2 N4 O2 Si4 -","- C22 H62 K2 N4 O2 Si4 -","- C22 H62 K2 N4 O2 Si4 -","1","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0478","0.039","","","0.0849","0.0901","","","","","","1.041","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701554","23.5555","0.0004","10.2892","0.0002","17.2253","0.0003","90","","118.317","0.001","90","","3675.27","0.12","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H62 Ba N4 O2 Si4 -","- C22 H62 Ba N4 O2 Si4 -","- C88 H248 Ba4 N16 O8 Si16 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0171","0.0163","","","0.0394","0.0398","","","","","","1.06","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701555","8.573","0.0002","17.0814","0.0006","20.3873","0.0007","90","","100.288","0.002","90","","2937.49","0.16","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H49 Ca N3 O Si4 -","- C17 H49 Ca N3 O Si4 -","- C68 H196 Ca4 N12 O4 Si16 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0489","0.0405","","","0.0879","0.093","","","","","","1.076","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701556","8.5757","0.0001","17.6605","0.0002","20.4099","0.0003","90","","101.9","0.001","90","","3024.67","0.07","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H52 N4 Si4 Sr -","- C18 H52 N4 Si4 Sr -","- C72 H208 N16 Si16 Sr4 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0284","0.0233","","","0.0534","0.0549","","","","","","1.05","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701557","8.5565","0.0003","17.3552","0.0005","20.6264","0.0006","90","","100.138","0.001","90","","3015.19","0.16","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H49 N3 O Si4 Sr -","- C17 H49 N3 O Si4 Sr -","- C68 H196 N12 O4 Si16 Sr4 -","4","0.5","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0477","0.0366","","","0.0754","0.0817","","","","","","1.105","","","","has coordinates,has disorder","223299","2020-10-21","18:00:00",""
"7701558","8.3703","0.0002","34.2576","0.0007","19.6484","0.0004","90","","100.452","0.001","90","","5540.6","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H46 Mg N2 O2 Si4 -","- C16 H46 Mg N2 O2 Si4 -","- C128 H368 Mg8 N16 O16 Si32 -","8","2","","Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias; Krieck, Sven","Bis(trimethylsilyl)amide complexes of s-block metals with bidentate ether and amine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8966","8975","10.1039/c9dt01426h","","","0.71073","MoKα","","0.0641","0.0474","","","0.0966","0.1042","","","","","","1.1","","","","has coordinates","223299","2020-10-21","18:00:00",""
"7701559","9.9159","0.0007","14.941","0.002","15.069","0.0011","112.459","0.014","99.528","0.013","105.874","0.01","1890.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.06 H33.82 Co N5.69 O8.69 -","- C35 H29 Co N5 O8 -","- C70 H58 Co2 N10 O16 -","2","1","","Gharib, Maniya; Esrafili, Leili; Morsali, Ali; Retailleau, Pascal","Solvent-assisted ligand exchange (SALE) for the enhancement of epoxide ring-opening reaction catalysis based on three amide-functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8803","8814","10.1039/c9dt00941h","","","0.71075","MoKα","","0.1313","0.0694","","","0.1468","0.1846","","","","","","1.055","","","","has coordinates","223300","2020-10-21","18:00:00",""
"7701560","24.5947","0.0018","15.6607","0.0011","16.3428","0.0012","90","","90","","90","","6294.8","0.8","293","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H46 Co2 N6 O14 -","- C56 H46 Co2 N6 O14 -","- C224 H184 Co8 N24 O56 -","4","1","","Gharib, Maniya; Esrafili, Leili; Morsali, Ali; Retailleau, Pascal","Solvent-assisted ligand exchange (SALE) for the enhancement of epoxide ring-opening reaction catalysis based on three amide-functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8803","8814","10.1039/c9dt00941h","","","0.71075","MoKα","","0.102","0.0552","","","0.1193","0.1407","","","","","","1.008","","","","has coordinates,has disorder","223300","2020-10-21","18:00:00",""
"7701561","15.2997","0.0012","16.1519","0.0013","25.122","0.002","90","","90.051","0.002","90","","6208.1","0.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H58 Co2 N8 O16 -","- C55 H51 Co2 N7 O15 -","- C220 H204 Co8 N28 O60 -","4","1","","Gharib, Maniya; Esrafili, Leili; Morsali, Ali; Retailleau, Pascal","Solvent-assisted ligand exchange (SALE) for the enhancement of epoxide ring-opening reaction catalysis based on three amide-functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8803","8814","10.1039/c9dt00941h","","","0.71073","MoKα","","0.0636","0.0515","","","0.1354","0.1439","","","","","","1.07","","","","has coordinates","223300","2020-10-21","18:00:00",""
"7701562","10.1266","0.0008","15.5118","0.0013","10.4954","0.0009","90","","102.237","0.001","90","","1611.2","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 N4 O29 Tb2 -","- C18 H32 N4 O29 Tb2 -","- C36 H64 N8 O58 Tb4 -","2","0.5","","Wu, Ke-Yang; Qin, Liang; Fan, Cheng; Cai, Shao-Lan; Zhang, Ting-Ting; Chen, Wen-Hua; Tang, Xiao-Yan; Chen, Jin-Xiang","Sequential and recyclable sensing of Fe<sup>3+</sup> and ascorbic acid in water with a terbium(iii)-based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8911","8919","10.1039/c9dt00871c","","","0.71073","MoKα","","0.0192","0.0176","","","0.0442","0.0451","","","","","","1.137","","","","has coordinates","223301","2020-10-21","18:00:00",""
"7701563","11.7219","0.0004","13.1009","0.0004","14.2731","0.0005","70.661","0.003","85.036","0.003","82.674","0.003","2049.02","0.12","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","2,6-bis(N-phenyliminomethyl)-1,5-dihydroxynaphalene bis(diphenylborinic) complex, acetone solvate","","- C51 H42 B2 N2 O3 -","- C51 H42 B2 N2 O3 -","- C102 H84 B4 N4 O6 -","2","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0757","0.069","","","0.1963","0.2068","","","","","","1.032","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701564","10.2453","0.0001","10.2453","0.0001","17.6924","0.0005","90","","90","","90","","1857.1","0.06","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H18 B N O -","- C25 H18 B N O -","- C100 H72 B4 N4 O4 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0505","0.0433","","","0.1098","0.1157","","","","","","1.047","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701565","8.8891","0.0003","9.5342","0.0003","11.7495","0.0004","81.488","0.003","68.282","0.003","66.482","0.003","848.25","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(8?-oxyquinolinato)octafluoro-9-borafluorene","","- C21 H6 B F8 N O -","- C21 H6 B F8 N O -","- C42 H12 B2 F16 N2 O2 -","2","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.1236","0.1372","","","","","","1.033","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701566","12.2286","0.0002","9.9535","0.0002","15.696","0.0003","90","","104.304","0.002","90","","1851.25","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2?-(2??-oxyphenyl)-benzoxazolato)-9-borafluorene","","- C25 H16 B N O2 -","- C25 H16 B N O2 -","- C100 H64 B4 N4 O8 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0434","0.0381","","","0.093","0.0983","","","","","","1.065","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701567","18.553","0.0002","10.9608","0.0001","18.0089","0.0002","90","","109.695","0.001","90","","3447.97","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2',6'-bis(N-phenyliminomethyl)-1',5'-dioxynaphthalenato)-bis(9-borafluorene)","","- C48 H32 B2 N2 O2 -","- C48 H32 B2 N2 O2 -","- C192 H128 B8 N8 O8 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0787","0.0723","","","0.1935","0.1999","","","","","","1.031","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701568","12.3956","0.0001","10.4119","0.0001","15.3378","0.0002","90","","106.166","0.001","90","","1901.25","0.04","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2?-(2??-oxyphenyl)-benzothiazolato)-9-borafluorene","","- C25 H16 B N O S -","- C25 H16 B N O S -","- C100 H64 B4 N4 O4 S4 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0338","0.0325","","","0.0946","0.0961","","","","","","1.059","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701569","8.7821","0.0001","8.7821","0.0001","21.8367","0.0006","90","","90","","90","","1684.16","0.05","100","2","100.01","0.1","","","","","","","","5","P 41","P 4w","76","","(2?-(2??-pyridyl)phenolato)-9-borafluorene","","- C23 H16 B N O -","- C23 H16 B N O -","- C92 H64 B4 N4 O4 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0408","0.0384","","","0.0959","0.0986","","","","","","1.069","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701570","12.5739","0.0007","15.628","0.0009","16.2194","0.0009","90","","90","","90","","3187.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(8?-oxyquinolinato)-9-borafluorene","","- C21 H14 B N O -","- C21 H14 B N O -","- C168 H112 B8 N8 O8 -","8","2","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","0.71073","MoKα","","0.1322","0.0733","","","0.1333","0.1636","","","","","","1.033","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701571","8.0166","0.0006","8.0166","0.0006","8.0166","0.0006","90","","90","","90","","515.19","0.07","323","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","PotassiumOctahydridoborate","PotassiumOctahydridoborate","","- B3 H8 K -","- B3 H7.99968 K -","- B12 H31.9987 K4 -","4","0.0208333","","Grinderslev, Jakob B.; Møller, Kasper T; Yan, Yigang; Chen, Xi-Meng; Li, Yongtao; Li, Hai-Wen; Zhou, Wei; Skibsted, Jørgen; Chen, Xuenian; Jensen, Torben R.","Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8872","8881","10.1039/c9dt00742c","powder diffraction","","","synchrotron","","","","","","","","","4.2147","","","","","","","","has coordinates","223303","2020-10-21","18:00:00",""
"7701572","5.57318","0.00011","8.12797","0.00017","5.32299","0.0001","90","","94.6275","0.0011","90","","240.338","0.008","221","","221","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Potassium_octahydridoborate","","","- B3 H8 K -","- B3 H8 K -","- B6 H16 K2 -","2","0.5","","Grinderslev, Jakob B.; Møller, Kasper T; Yan, Yigang; Chen, Xi-Meng; Li, Yongtao; Li, Hai-Wen; Zhou, Wei; Skibsted, Jørgen; Chen, Xuenian; Jensen, Torben R.","Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8872","8881","10.1039/c9dt00742c","powder diffraction","","","synchrotron","","","","","","","","","6.2618","27.8968","","","","","","","has coordinates","223303","2020-10-21","18:00:00",""
"7701573","7.42563","0.00015","8.08086","0.00015","8.19595","0.00008","90","","90","","90","","491.802","0.014","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","Potassium_octahydridoborate","","","- B3 H8 K -","- B3 H8 K -","- B12 H32 K4 -","4","0.25","","Grinderslev, Jakob B.; Møller, Kasper T; Yan, Yigang; Chen, Xi-Meng; Li, Yongtao; Li, Hai-Wen; Zhou, Wei; Skibsted, Jørgen; Chen, Xuenian; Jensen, Torben R.","Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8872","8881","10.1039/c9dt00742c","powder diffraction","","","synchrotron","","","","","","","","","7.8209","12.5098","","","","","","","has coordinates","223303","2020-10-21","18:00:00",""
"7701574","10.7842","0.0003","11.5565","0.0004","17.0314","0.0006","72.119","0.002","75.384","0.002","85.933","0.002","1954.63","0.11","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","PdD(CMP)PP","[10-(Diethoxyphosphoryl)-5,15-bis{p-(methoxycarbonyl)phenyl}porphyrinato(2-)] palladium(II) chloroform solvate","","- C41 H34 Cl3 N4 O7 P Pd -","- C41 H34 Cl3 N4 O7 P Pd -","- C82 H68 Cl6 N8 O14 P2 Pd2 -","2","1","","Volostnykh, Marina V.; Borisov, Sergey M.; Konovalov, Mikhail A.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Meyer, Michel; Stern, Christine; Bessmertnykh-Lemeune, Alla","Platinum(ii) and palladium(ii) complexes with electron-deficient meso-diethoxyphosphorylporphyrins: synthesis, structure and tuning of photophysical properties by varying peripheral substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8882","8898","10.1039/c9dt01577a","","","0.71073","MoKα","","0.0615","0.0388","","","0.0766","0.0844","","","","","","1.012","","","","has coordinates","223304","2020-10-21","18:00:00",""
"7701575","11.8481","0.0007","12.1054","0.0006","13.6018","0.0007","64.844","0.003","89.227","0.003","85.015","0.003","1758.55","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","PdDTolPP","[10-(Diethoxyphosphoryl)-5,15-bis(p-tolyl)porphyrinato(2-)]palladium(II) methylene solvate","","- C39 H35 Cl2 N4 O3 P Pd -","- C39 H35 Cl2 N4 O3 P Pd -","- C78 H70 Cl4 N8 O6 P2 Pd2 -","2","1","","Volostnykh, Marina V.; Borisov, Sergey M.; Konovalov, Mikhail A.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Meyer, Michel; Stern, Christine; Bessmertnykh-Lemeune, Alla","Platinum(ii) and palladium(ii) complexes with electron-deficient meso-diethoxyphosphorylporphyrins: synthesis, structure and tuning of photophysical properties by varying peripheral substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8882","8898","10.1039/c9dt01577a","","","0.71073","MoKα","","0.0542","0.0367","","","0.0883","0.0953","","","","","","1.004","","","","has coordinates","223304","2020-10-21","18:00:00",""
"7701576","10.782","0.0003","11.5473","0.0004","17.1136","0.0006","71.942","0.002","75.416","0.001","85.958","0.001","1960.41","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","PtD(CMP)PP","[10-(Diethoxyphosphoryl)-5,15-bis{p-(methoxycarbonyl)phenyl}porphyrinato(2-)] platinum(II) chloroform solvate","","- C41 H34 Cl3 N4 O7 P Pt -","- C41 H34 Cl3 N4 O7 P Pt -","- C82 H68 Cl6 N8 O14 P2 Pt2 -","2","1","","Volostnykh, Marina V.; Borisov, Sergey M.; Konovalov, Mikhail A.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Meyer, Michel; Stern, Christine; Bessmertnykh-Lemeune, Alla","Platinum(ii) and palladium(ii) complexes with electron-deficient meso-diethoxyphosphorylporphyrins: synthesis, structure and tuning of photophysical properties by varying peripheral substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8882","8898","10.1039/c9dt01577a","","","0.71073","MoKα","","0.0269","0.0231","","","0.058","0.0599","","","","","","1.046","","","","has coordinates","223304","2020-10-21","18:00:00",""
"7701577","13.7944","0.0017","14.3871","0.0018","20.258","0.003","90","","91.245","0.003","90","","4019.5","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H96 Dy2 N6 O22 Zn2 -","- C80 H96 Dy2 N6 O22 Zn2 -","- C160 H192 Dy4 N12 O44 Zn4 -","2","0.5","","Ke, Hongshan; Wei, Wen; Yang, Yongsheng; Zhang, Jun; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Effect of coordination anion substitutions on relaxation dynamics of defect dicubane Zn<sub>2</sub>Dy<sub>2</sub> tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7844","7852","10.1039/c9dt01074b","","","0.71073","MoKα","","0.0784","0.052","","","0.1254","0.143","","","","","","0.999","","","","has coordinates,has disorder","223305","2020-10-21","18:00:00",""
"7701578","12.903","0.003","13.716","0.003","15.56","0.003","70.194","0.004","70.908","0.004","62.195","0.004","2244","0.8","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H118 Dy2 N4 O22 Zn2 -","- C92 H118 Dy2 N4 O22 Zn2 -","- C92 H118 Dy2 N4 O22 Zn2 -","1","0.5","","Ke, Hongshan; Wei, Wen; Yang, Yongsheng; Zhang, Jun; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Effect of coordination anion substitutions on relaxation dynamics of defect dicubane Zn<sub>2</sub>Dy<sub>2</sub> tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7844","7852","10.1039/c9dt01074b","","","0.71073","MoKα","","0.1069","0.0668","","","0.1293","0.1557","","","","","","1","","","","has coordinates,has disorder","223305","2020-10-21","18:00:00",""
"7701579","35.076","0.0012","18.4128","0.0006","24.6774","0.0015","90","","133.676","0.0007","90","","11527","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C107 H56 N18 O18 Re6 S6 -","- C107 H56 N18 O18 Re6 S6 -","- C428 H224 N72 O72 Re24 S24 -","4","0.5","","Tzeng, Biing-Chiau; Hsiao, Yu-Jen; Lee, Gene-Hsiang; Wang, Hai-Ying; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Toward a dodecanuclear molecular Re(i) box: structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7946","7952","10.1039/c9dt01115c","","","0.71073","MoKα","","0.0391","0.0301","","","0.0732","0.0783","","","","","","1.054","","","","has coordinates,has disorder","223306","2020-10-21","18:00:00",""
"7701580","14.6619","0.0006","19.3037","0.0008","22.8014","0.0009","114.181","0.001","101.722","0.0011","93.2007","0.0012","5694.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C178 H156 N44 O48 Re12 S24 -","- C178 H156 N44 O48 Re12 S24 -","- C178 H156 N44 O48 Re12 S24 -","1","0.5","","Tzeng, Biing-Chiau; Hsiao, Yu-Jen; Lee, Gene-Hsiang; Wang, Hai-Ying; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Toward a dodecanuclear molecular Re(i) box: structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7946","7952","10.1039/c9dt01115c","","","0.71073","MoKα","","0.0478","0.0367","","","0.0908","0.0982","","","","","","1.083","","","","has coordinates,has disorder","223306","2020-10-21","18:00:00",""
"7701581","24.8134","0.0012","24.8134","0.0012","24.8134","0.0012","90","","90","","90","","15277.7","1.3","100","2","100","2","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- Ga24 Mo7 Zn28 -","- Ga23.998 Mo7 Zn28.002 -","- Ga383.968 Mo112 Zn448.032 -","16","0.0833333","","Verchenko, Valeriy Yu; Zubtsovskii, Alexander O.; Wei, Zheng; Tsirlin, Alexander A.; Dikarev, Evgeny V.; Shevelkov, Andrei V.","From endohedral cluster superconductors to approximant phases: synthesis, crystal and electronic structure, and physical properties of Mo<sub>8</sub>Ga<sub>41-x</sub>Zn<sub>x</sub> and Mo<sub>7</sub>Ga<sub>52-x</sub>Zn<sub>x</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7853","7861","10.1039/c8dt04982c","","","0.71073","MoKα","","0.0481","0.0342","","","0.0583","0.0608","","","","","","1.21","","","","has coordinates","223307","2020-10-21","18:00:00",""
"7701582","14.01884","0.00007","14.01884","0.00007","15.05418","0.00009","90","","90","","120","","2562.19","0.02","300","","300","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 Mo8 -","- Ga41 Mo8 -","- Ga123 Mo24 -","3","0.166667","","Verchenko, Valeriy Yu; Zubtsovskii, Alexander O.; Wei, Zheng; Tsirlin, Alexander A.; Dikarev, Evgeny V.; Shevelkov, Andrei V.","From endohedral cluster superconductors to approximant phases: synthesis, crystal and electronic structure, and physical properties of Mo<sub>8</sub>Ga<sub>41-x</sub>Zn<sub>x</sub> and Mo<sub>7</sub>Ga<sub>52-x</sub>Zn<sub>x</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7853","7861","10.1039/c8dt04982c","powder diffraction","x-ray","1.5406","CuKα1","","0.0267","0.0267","","0.0372","0.0372","","","","1.71","","","","","","","has coordinates","223307","2020-10-21","18:00:00",""
"7701583","7.0987","0.0017","6.8056","0.0018","10.259","0.003","90","","94.345","0.009","90","","494.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H La2 Nb O6 -","- H La2 Nb O6 -","- H4 La8 Nb4 O24 -","4","1","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0255","0.0247","","","0.058","0.0585","","","","","","1.149","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701584","19.3122","0.0008","5.5525","0.0002","7.68","0.0003","90","","90","","90","","823.53","0.06","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H Nd3 O10 Ta2 -","- H Nd3 O10 Ta2 -","- H4 Nd12 O40 Ta8 -","4","0.5","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0237","0.0214","","","0.0501","0.0509","","","","","","1.176","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701585","7.0897","0.0003","6.7199","0.0004","10.2645","0.0005","90","","94.158","0.002","90","","487.73","0.04","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H La2 O6 Ta -","- H La2 O6 Ta -","- H4 La8 O24 Ta4 -","4","1","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0181","0.0166","","","0.0365","0.037","","","","","","1.18","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701586","7.0137","0.0003","6.7134","0.0003","10.124","0.0004","90","","94.122","0.002","90","","475.46","0.03","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H O6 Pr2 Ta -","- H O6 Pr2 Ta -","- H4 O24 Pr8 Ta4 -","4","1","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0169","0.016","","","0.0384","0.0389","","","","","","1.118","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701587","19.3603","0.001","5.5779","0.0003","7.7079","0.0003","90","","90","","90","","832.37","0.07","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- H O10 Pr3 Ta2 -","- H O10 Pr3 Ta2 -","- H4 O40 Pr12 Ta8 -","4","0.5","","Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal synthesis and structural characterization of several complex rare earth tantalates: Ln<sub>2</sub>TaO<sub>5</sub>(OH) (Ln = La, Pr) and Ln<sub>3</sub>Ta<sub>2</sub>O<sub>9</sub>(OH) (Ln = Pr, Nd).","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7704","7713","10.1039/c9dt00059c","","","0.71073","MoKα","","0.0263","0.0208","","","0.0434","0.0452","","","","","","1.047","","","","has coordinates","223308","2020-10-21","18:00:00",""
"7701588","10.2398","0.0011","14.2743","0.0015","14.7046","0.0016","71.955","0.001","88.839","0.001","79.423","0.001","2007.3","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Br Cl2 N5 Pd -","- C46 H42 Br Cl2 N5 Pd -","- C92 H84 Br2 Cl4 N10 Pd2 -","2","1","","Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison","Classifying donor strengths of dipyrrinato/aza-dipyrrinato ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7546","7550","10.1039/c9dt01148j","","","0.71073","MoKα","","0.0383","0.0276","","","0.0592","0.0631","","","","","","1.037","","","","has coordinates","223309","2020-10-21","18:00:00",""
"7701589","23.004","0.003","17.226","0.002","16.384","0.002","90","","117.791","0.001","90","","5743.6","1.2","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Br N4 O2 Pd -","- C30 H37 Br N4 O2 Pd -","- C240 H296 Br8 N32 O16 Pd8 -","8","1","","Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison","Classifying donor strengths of dipyrrinato/aza-dipyrrinato ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7546","7550","10.1039/c9dt01148j","","","0.71073","MoKα","","0.0565","0.0367","","","0.0811","0.0937","","","","","","1.147","","","","has coordinates","223309","2020-10-21","18:00:00",""
"7701590","15.098","0.003","9.615","0.0018","23.539","0.004","90","","108.426","0.002","90","","3241.9","1","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H61 Br2 Cl9 N8 O2 Pd2 -","- C59 H61 Br2 Cl9 N8 O2 Pd2 -","- C118 H122 Br4 Cl18 N16 O4 Pd4 -","2","0.5","","Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison","Classifying donor strengths of dipyrrinato/aza-dipyrrinato ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7546","7550","10.1039/c9dt01148j","","","0.71073","MoKα","","0.0479","0.0314","","","0.0667","0.0728","","","","","","1.014","","","","has coordinates,has disorder","223309","2020-10-21","18:00:00",""
"7701591","11.5081","0.0018","12.8515","0.0019","23.57","0.003","95.044","0.003","98.639","0.003","104.313","0.003","3310.8","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Mn4 N2 O20 -","- C42 H26 Mn4 N2 O20 -","- C84 H52 Mn8 N4 O40 -","2","1","","Cheng, Shan; Wu, Yunlong; Jin, Jing; Liu, Jiao; Wu, Dan; Yang, Guoping; Wang, Yao-Yu","New multifunctional 3D porous metal-organic framework with selective gas adsorption, efficient chemical fixation of CO<sub>2</sub> and dye adsorption.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7612","7618","10.1039/c9dt01249d","","","0.71073","MoKα","","0.0967","0.0685","","","0.1962","0.2272","","","","","","0.999","","","","has coordinates","223310","2020-10-21","18:00:00",""
"7701592","10.021","0.005","19.421","0.009","19.2","0.01","90","","92.243","0.014","90","","3734","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 F6 N3 P3 Ru -","- C36 H54 F6 N3 P3 Ru -","- C144 H216 F24 N12 P12 Ru4 -","4","1","","Stubbs, James M.; Bridge, Benjamin J.; Blacquiere, Johanna M.","Optimizing ligand structure for low-loading and fast catalysis for alkynyl-alcohol and -amine cyclization.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7928","7937","10.1039/c9dt01870k","","","0.71073","MoKα","","0.0557","0.0459","","","0.1138","0.119","","","","","","1.088","","","","has coordinates","223311","2020-10-21","18:00:00",""
"7701593","9.154","0.0008","6.8673","0.0006","42.281","0.003","90","","90","","90","","2657.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Cl2 Fe N2 -","- C12 H18 Cl2 Fe N2 -","- C96 H144 Cl16 Fe8 N16 -","8","1","","Jing, Chuyang; Wang, Liang; Mahmood, Qaiser; Zhao, Mengmeng; Zhu, Guangqian; Zhang, Xianhui; Wang, Xiaowu; Wang, Qinggang","Synthesis and characterization of aminopyridine iron(ii) chloride catalysts for isoprene polymerization: sterically controlled monomer enchainment.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7862","7874","10.1039/c9dt00452a","","","1.54178","CuKα","","0.1255","0.0989","","","0.2044","0.2226","","","","","","1.086","","","","has coordinates","223312","2020-10-21","18:00:00",""
"7701594","7.0439","0.0007","13.0684","0.0011","16.9522","0.0012","90","","90.761","0.001","90","","1560.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Fe N2 -","- C14 H16 Cl2 Fe N2 -","- C56 H64 Cl8 Fe4 N8 -","4","1","","Jing, Chuyang; Wang, Liang; Mahmood, Qaiser; Zhao, Mengmeng; Zhu, Guangqian; Zhang, Xianhui; Wang, Xiaowu; Wang, Qinggang","Synthesis and characterization of aminopyridine iron(ii) chloride catalysts for isoprene polymerization: sterically controlled monomer enchainment.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7862","7874","10.1039/c9dt00452a","","","0.71073","MoKα","","0.057","0.0353","","","0.082","0.0918","","","","","","1.058","","","","has coordinates","223312","2020-10-21","18:00:00",""
"7701595","15.1785","0.0013","9.3366","0.0008","22.6274","0.0018","90","","103.782","0.002","90","","3114.3","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl4 Fe2 N4 -","- C28 H32 Cl4 Fe2 N4 -","- C112 H128 Cl16 Fe8 N16 -","4","0.5","","Jing, Chuyang; Wang, Liang; Mahmood, Qaiser; Zhao, Mengmeng; Zhu, Guangqian; Zhang, Xianhui; Wang, Xiaowu; Wang, Qinggang","Synthesis and characterization of aminopyridine iron(ii) chloride catalysts for isoprene polymerization: sterically controlled monomer enchainment.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7862","7874","10.1039/c9dt00452a","","","0.71073","MoKα","","0.0594","0.0339","","","0.0659","0.0715","","","","","","1.037","","","","has coordinates,has disorder","223312","2020-10-21","18:00:00",""
"7701596","8.9981","0.0008","10.7524","0.0009","11.3021","0.0011","89.495","0.003","66.73","0.001","79.902","0.002","986.77","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 Fe N2 -","- C20 H20 Cl2 Fe N2 -","- C40 H40 Cl4 Fe2 N4 -","2","1","","Jing, Chuyang; Wang, Liang; Mahmood, Qaiser; Zhao, Mengmeng; Zhu, Guangqian; Zhang, Xianhui; Wang, Xiaowu; Wang, Qinggang","Synthesis and characterization of aminopyridine iron(ii) chloride catalysts for isoprene polymerization: sterically controlled monomer enchainment.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7862","7874","10.1039/c9dt00452a","","","0.71073","MoKα","","0.0804","0.0539","","","0.1171","0.1264","","","","","","1.011","","","","has coordinates","223312","2020-10-21","18:00:00",""
"7701597","33.635","0.003","33.635","0.003","13.0634","0.0012","90","","90","","90","","14779","2","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C160 H408 N0 O188 Ti32 -","- C160 H331.976 O149.988 Ti32 -","- C320 H663.952 O299.976 Ti64 -","2","0.25","","Lv, Hai-Ting; Cui, Ying; Zou, Guo-Dong; Li, Na; Yang, Pei; Fan, Yang","Synthesis of titanium-oxo macrocyles and their catalytic properties for oxidative desulfurization.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14044","14048","10.1039/c9dt03057c","","","0.71073","MoKα","","0.1377","0.1297","","","0.3005","0.3048","","","","","","1.156","","","","has coordinates,has disorder","223313","2020-10-21","18:00:00",""
"7701598","51.758","0.004","14.9948","0.0011","47.346","0.003","90","","119.823","0.002","90","","31879","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H456 N0 O172 Ti32 -","- C204 H414.456 O151.228 Ti32 -","- C816 H1657.82 O604.912 Ti128 -","4","0.5","","Lv, Hai-Ting; Cui, Ying; Zou, Guo-Dong; Li, Na; Yang, Pei; Fan, Yang","Synthesis of titanium-oxo macrocyles and their catalytic properties for oxidative desulfurization.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14044","14048","10.1039/c9dt03057c","","","0.71073","MoKα","","0.1548","0.1064","","","0.2837","0.3229","","","","","","1.036","","","","has coordinates,has disorder","223313","2020-10-21","18:00:00",""
"7701599","13.8962","0.0004","15.1967","0.0004","19.6412","0.0007","92.467","0.001","108.909","0.001","100.722","0.001","3831.5","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H60 Br7 P3 S7 Tc6 -","- C72 H60 Br7 P3 S7 Tc6 -","- C144 H120 Br14 P6 S14 Tc12 -","2","1","","Yoshimura, Takashi; Nagata, Kojiro; Matsuda, Ayumi; Omote, Toshiki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi","Synthesis, structures, redox properties, and theoretical calculations of thiohalide capped octahedral hexanuclear technetium(iii) clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14085","14095","10.1039/c9dt02909e","","","0.71075","MoKα","","0.0818","0.0504","","","0.0894","0.1022","","","","","","1.03","","","","has coordinates,has disorder","223315","2020-10-21","18:00:00",""
"7701600","10.161","0.003","21.436","0.006","14.254","0.004","90","","93.548","0.014","90","","3098.7","1.5","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H44 Br8 O P2 S6 Tc6 -","- C49 H44 Br8 O P2 S6 Tc6 -","- C98 H88 Br16 O2 P4 S12 Tc12 -","2","0.5","","Yoshimura, Takashi; Nagata, Kojiro; Matsuda, Ayumi; Omote, Toshiki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi","Synthesis, structures, redox properties, and theoretical calculations of thiohalide capped octahedral hexanuclear technetium(iii) clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14085","14095","10.1039/c9dt02909e","","","0.71075","MoKα","","0.0882","0.0511","","","0.1034","0.1185","","","","","","0.901","","","","has coordinates,has disorder","223315","2020-10-21","18:00:00",""
"7701601","12.4941","0.0002","13.6855","0.0003","24.1157","0.0005","77.256","0.001","78.514","0.001","77.628","0.001","3878.28","0.13","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H63 Cl7 N P3 S7 Tc6 -","- C74 H63 Cl7 N P3 S7 Tc6 -","- C148 H126 Cl14 N2 P6 S14 Tc12 -","2","1","","Yoshimura, Takashi; Nagata, Kojiro; Matsuda, Ayumi; Omote, Toshiki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi","Synthesis, structures, redox properties, and theoretical calculations of thiohalide capped octahedral hexanuclear technetium(iii) clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14085","14095","10.1039/c9dt02909e","","","0.71075","MoKα","","0.0425","0.0289","","","0.0544","0.0741","","","","","","1.204","","","","has coordinates,has disorder","223315","2020-10-21","18:00:00",""
"7701602","55.955","0.004","55.955","0.004","20.8428","0.0017","90","","90","","120","","56515","7","153","2","153","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C78 H80 Dy6 N28 O42 -","- C78 H80 Dy6 N28 O42 -","- C1404 H1440 Dy108 N504 O756 -","18","0.5","","Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Liu, Shuting; Yang, Qianqian; Tang, Jinkui","Linear hexanuclear helical dysprosium single-molecule magnets: the effect of axial substitution on magnetic interactions and relaxation dynamics.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14062","14068","10.1039/c9dt03101d","","x-ray","0.71073","MoKα","","0.1673","0.0867","","","0.1954","0.2656","","","","","","1.045","","","","has coordinates","223316","2020-10-21","18:00:00",""
"7701603","19.1621","0.0009","19.7925","0.0009","36.6621","0.0017","90","","96.355","0.001","90","","13819.2","1.1","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H111 Dy6 N33 O27 S6 -","- C99 H111 Dy6 N33 O27 S6 -","- C396 H444 Dy24 N132 O108 S24 -","4","1","","Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Liu, Shuting; Yang, Qianqian; Tang, Jinkui","Linear hexanuclear helical dysprosium single-molecule magnets: the effect of axial substitution on magnetic interactions and relaxation dynamics.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14062","14068","10.1039/c9dt03101d","","","0.71073","MoKα","","0.0768","0.0551","","","0.152","0.1648","","","","","","1.089","","","","has coordinates","223316","2020-10-21","18:00:00",""
"7701604","8.7633","0.0008","55.03","0.005","8.7081","0.0007","90","","90","","90","","4199.4","0.6","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C29 H38 I7 N3 Pb2 -","- C29 H35 I7 N3 Pb2 -","- C116 H140 I28 N12 Pb8 -","4","0.5","","Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram","Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14019","14026","10.1039/c9dt03074c","","","0.71073","MoKα","","0.0861","0.0653","","","0.1377","0.1471","","","","","","1.095","","","","has coordinates,has disorder","223317","2020-10-21","18:00:00",""
"7701605","42.92","0.006","8.7431","0.0011","8.6629","0.0014","90","","90","","90","","3250.8","0.8","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C28 H28 I4 N2 Pb -","- C28 H32 I4 N2 Pb -","- C112 H128 I16 N8 Pb4 -","4","0.5","","Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram","Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14019","14026","10.1039/c9dt03074c","","","0.71073","MoKα","","0.0927","0.0533","","","0.0814","0.0892","","","","","","1.436","","","","has coordinates","223317","2020-10-21","18:00:00",""
"7701606","10.8365","0.0015","10.8365","0.0015","13.642","0.003","90","","90","","90","","1602","0.5","293","2","293","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C11 H18 Cu2 N2 O8 -","- C11 H18 Cu2 N2 O8 -","- C44 H72 Cu8 N8 O32 -","4","0.25","","Bhaskaran, ?; Trivedi, Manoj; Yadav, Anita K.; Singh, Gurmeet; Kumar, Abhinav; Kumar, Girijesh; Husain, Ahmad; Rath, Nigam P.","Synthetic, spectral, structural and catalytic activity of infinite 3-D and 2-D copper(ii) coordination polymers for substrate size-dependent catalysis for CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10078","10088","10.1039/c9dt01457h","","","0.71073","MoKα","","0.0841","0.0687","","","0.1721","0.1788","","","","","","1.234","","","","has coordinates","223318","2020-10-21","18:00:00",""
"7701607","16.42","0.0014","8.2055","0.0007","12.248","0.001","90","","110.921","0.003","90","","1541.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cu N6 O8 -","- C34 H34 Cu N6 O8 -","- C68 H68 Cu2 N12 O16 -","2","0.5","","Bhaskaran, ?; Trivedi, Manoj; Yadav, Anita K.; Singh, Gurmeet; Kumar, Abhinav; Kumar, Girijesh; Husain, Ahmad; Rath, Nigam P.","Synthetic, spectral, structural and catalytic activity of infinite 3-D and 2-D copper(ii) coordination polymers for substrate size-dependent catalysis for CO<sub>2</sub> conversion.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10078","10088","10.1039/c9dt01457h","","","0.71073","MoKα","","0.0604","0.0413","","","0.1071","0.1179","","","","","","1.046","","","","has coordinates","223318","2020-10-21","18:00:00",""
"7701608","10.1186","0.0005","19.086","0.001","6.9839","0.0005","90","","90","","90","","1348.76","0.14","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H11 N3 O7 Zn -","- C9 H11 N3 O7 Zn -","- C36 H44 N12 O28 Zn4 -","4","0.25","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0453","0.0395","","","0.0927","0.0965","","","","","","1.049","","","","has coordinates","223319","2020-10-21","18:00:00",""
"7701609","8.076","0.002","9.409","0.002","9.653","0.002","63.445","0.007","87.358","0.008","68.411","0.007","603.9","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Co3 N4 O16 -","- C20 H18 Co3 N4 O16 -","- C20 H18 Co3 N4 O16 -","1","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0656","0.0356","","","0.0632","0.0701","","","","","","1.04","","","","has coordinates","223319","2020-10-21","18:00:00",""
"7701610","7.0734","0.0005","9.6325","0.0007","15.3798","0.0011","90","","94.408","0.002","90","","1044.8","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Mn N O7 -","- C9 H9 Mn N O7 -","- C36 H36 Mn4 N4 O28 -","4","1","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0324","0.0251","","","0.0641","0.068","","","","","","1.017","","","","has coordinates","223319","2020-10-21","18:00:00",""
"7701611","9.7273","0.0011","12.8613","0.0014","14.2241","0.0017","90","","109.652","0.013","90","","1675.9","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H11 Cl0 Mn3 N O20 -","- C28 H11 Mn3 N O20 -","- C56 H22 Mn6 N2 O40 -","2","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.1237","0.083","","","0.1881","0.2109","","","","","","1.083","","","","has coordinates,has disorder","223319","2020-10-21","18:00:00",""
"7701612","7.7542","0.0006","10.5032","0.0006","9.6297","0.001","90","","92.624","0.007","90","","783.46","0.11","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C7 H6 Cu N2 O4 -","- C7 H6 Cu N2 O4 -","- C28 H24 Cu4 N8 O16 -","4","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0453","0.0335","","","0.0731","0.0792","","","","","","1.018","","","","has coordinates","223319","2020-10-21","18:00:00",""
"7701613","9.3019","0.0017","28.739","0.005","11.788","0.002","90","","103.534","0.014","90","","3063.7","0.9","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C27 H27 Co N6 O15.25 -","- C27 H28 Co N6 O15.25 -","- C108 H112 Co4 N24 O61 -","4","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.1117","0.0794","","","0.1963","0.2125","","","","","","1.002","","","","has coordinates,has disorder","223319","2020-10-21","18:00:00",""
"7701614","8.2634","0.0002","8.2634","0.0002","20.2666","0.0011","90","","90","","90","","1383.88","0.09","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C5 H K0.63 Mn N2.37 O4 -","- C5 H K0.633 Mn N2.367 O4 -","- C40 H8 K5.064 Mn8 N18.936 O32 -","8","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0586","0.0372","","","0.0734","0.0829","","","","","","1.062","","","","has coordinates,has disorder","223319","2020-10-21","18:00:00",""
"7701615","7.5471","0.0004","24.8984","0.0013","8.3691","0.0004","90","","94.423","0.005","90","","1567.96","0.14","149.95","0.1","149.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B I2 N -","- C15 H16 B I2 N -","- C60 H64 B4 I8 N4 -","4","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","0.71073","MoKα","","0.0631","0.0354","","","0.0562","0.0668","","","","","","1.07","","","","has coordinates","223320","2020-10-21","18:00:00",""
"7701616","9.7352","0.0005","10.9636","0.0006","12.5326","0.0008","82.624","0.005","80.864","0.005","88.285","0.004","1309.68","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F10 N Si -","- C28 H18 B F10 N Si -","- C56 H36 B2 F20 N2 Si2 -","2","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","x-ray","0.71073","MoKα","","0.0652","0.0444","","","0.0931","0.1064","","","","","","1.05","","","","has coordinates","223320","2020-10-21","18:00:00",""
"7701617","7.556","0.0007","7.8873","0.0007","12.0635","0.0011","80.677","0.007","78.126","0.008","67.404","0.009","646.81","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 B F2 N -","- C15 H16 B F2 N -","- C30 H32 B2 F4 N2 -","2","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","0.71073","MoKα","","0.0618","0.0455","","","0.097","0.1085","","","","","","1.051","","","","has coordinates","223320","2020-10-21","18:00:00",""
"7701618","17.0555","0.0001","17.0555","0.0001","10.2235","0.0001","90","","90","","90","","2973.91","0.04","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H16 B Br2 N -","- C15 H16 B Br2 N -","- C120 H128 B8 Br16 N8 -","8","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","1.54184","CuKα","","0.0243","0.0219","","","0.0539","0.0553","","","","","","1.051","","","","has coordinates","223320","2020-10-21","18:00:00",""
"7701619","8.4822","0.0003","14.3531","0.0005","11.9681","0.0005","90","","101.037","0.004","90","","1430.12","0.09","150","10","150","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B N3 -","- C17 H16 B N3 -","- C68 H64 B4 N12 -","4","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","x-ray","0.71073","MoKα","","0.0584","0.0468","","","0.113","0.1195","","","","","","1.094","","","","has coordinates,has disorder","223320","2020-10-21","18:00:00",""
"7701620","12.8845","0.0003","11.7689","0.0003","20.7907","0.0007","90","","102.702","0.003","90","","3075.47","0.15","149.95","0.1","149.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 B N Si -","- C34 H40 B N Si -","- C136 H160 B4 N4 Si4 -","4","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","0.71073","MoKα","","0.0678","0.0502","","","0.1152","0.1255","","","","","","1.052","","","","has coordinates,has disorder","223320","2020-10-21","18:00:00",""
"7701621","13.8544","0.0008","11.6106","0.0007","18.2019","0.0009","90","","94.56","0.005","90","","2918.7","0.3","150","0.1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 B N Si -","- C34 H40 B N Si -","- C136 H160 B4 N4 Si4 -","4","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","0.71073","MoKα","","0.0704","0.0512","","","0.1275","0.1409","","","","","","1.054","","","","has coordinates,has disorder","223320","2020-10-21","18:00:00",""
"7701622","9.312","0.006","10.948","0.006","19.843","0.017","90","","91.25","0.03","90","","2022","2","148.15","0.02","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 B N -","- C25 H32 B N -","- C100 H128 B4 N4 -","4","1","","Pammer, Frank; Schepper, Jonas; Glöckler, Johannes; Sun, Yu; Orthaber, Andreas","Expansion of the scope of alkylboryl-bridged N →B-ladder boranes: new substituents and alternative substrates.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10298","10312","10.1039/c9dt01555h","","","0.71073","MoKα","","0.092","0.0859","","","0.244","0.2514","","","","","","1.053","","","","has coordinates","223320","2020-10-21","18:00:00",""
"7701623","17.8083","0.00009","17.8083","0.00009","19.49485","0.00015","90","","90","","90","","6182.51","0.06","200","","200","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C60 H76 B2 Mg O6 S6 -","- C60 H76 B2 Mg O6 S6 -","- C240 H304 B8 Mg4 O24 S24 -","4","0.5","","Sakiyama, Hiroshi; Shomura, Kaoru; Ito, Misaki; Waki, Katsushi; Yamasaki, Mikio","The crystal structure of [Mg(dmso)<sub>6</sub>][BPh<sub>4</sub>]<sub>2</sub> and the formation mechanism of the conformer on the basis of conformational analysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10174","10179","10.1039/c9dt02173f","","","1.54184","CuKα","","0.037","0.0355","","","0.097","0.0982","","","","","","1.036","","","","has coordinates,has disorder","223321","2020-10-21","18:00:00",""
"7701624","15.0276","0.001","15.0276","0.001","13.1704","0.0008","90","","90","","120","","2575.8","0.3","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","Gallium(III) ethylxanthate","","- C9 H15 Ga O3 S6 -","- C9 H15 Ga O3 S6 -","- C54 H90 Ga6 O18 S36 -","6","0.333333","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.0226","0.0209","","","0.051","0.0516","","","","","","1.05","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701625","9.89","0.0004","10.9162","0.0005","18.9067","0.0007","90","","92.135","0.004","90","","2039.77","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Gallium(III) i-propylxanthate","","- C12 H21 Ga O3 S6 -","- C12 H21 Ga O3 S6 -","- C48 H84 Ga4 O12 S24 -","4","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.0564","0.0378","","","0.0784","0.0833","","","","","","1.047","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701626","20.4378","0.0006","11.5173","0.0004","20.0826","0.0005","90","","90","","90","","4727.2","0.2","200.08","0.1","200.08","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ga O3 S6 -","- C15 H24 Ga O3 S6 -","- C120 H192 Ga8 O24 S48 -","8","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","1.54184","CuKα","","0.0645","0.058","","","0.1246","0.1271","","","","","","1.23","","","","has coordinates,has disorder","223322","2020-10-21","18:00:00",""
"7701627","9.5526","0.0002","13.9797","0.0003","11.1352","0.0003","90","","107.382","0.003","90","","1419.12","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Gallium(III) methylxanthate","","- C6 H9 Ga O3 S6 -","- C6 H9 Ga O3 S6 -","- C24 H36 Ga4 O12 S24 -","4","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.0182","0.0167","","","0.0357","0.0362","","","","","","1.096","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701628","12.3987","0.0003","11.2208","0.0003","17.0664","0.0004","90","","100.133","0.003","90","","2337.3","0.1","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Gallium(III) n-butylxanthate","","- C15 H27 Ga O3 S6 -","- C15 H27 Ga O3 S6 -","- C60 H108 Ga4 O12 S24 -","4","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.0349","0.0271","","","0.0631","0.0655","","","","","","1.04","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701629","12.6145","0.001","16.074","0.0006","10.4356","0.0006","90","","112.665","0.008","90","","1952.6","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Ga O3 S6 -","- C12 H21 Ga O3 S6 -","- C48 H84 Ga4 O12 S24 -","4","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.0638","0.0322","","","0.0537","0.0597","","","","","","0.997","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701630","14.145","0.0008","18.2253","0.0007","9.0099","0.0005","90","","96.843","0.005","90","","2306.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Ga O3 S6 -","- C15 H27 Ga O3 S6 -","- C60 H108 Ga4 O12 S24 -","4","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.1073","0.0749","","","0.1509","0.1605","","","","","","1.168","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701631","13.9345","0.0006","9.7852","0.0003","14.3148","0.0006","90","","106.293","0.003","90","","1873.46","0.13","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N3 O P -","- C21 H18 N3 O P -","- C84 H72 N12 O4 P4 -","4","1","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","x-ray","0.71073","MoKα","","0.0502","0.0399","","","0.1089","0.1157","","","","","","1.037","","","","has coordinates","223323","2020-10-21","18:00:00",""
"7701632","10.3665","0.0004","27.9101","0.0011","21.4135","0.0007","90","","92.509","0.003","90","","6189.6","0.4","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 Au2 Cl2 Cu F6 N6 O4 P3 -","- C58 H68 Au2 Cl2 Cu F6 N6 O4 P3 -","- C232 H272 Au8 Cl8 Cu4 F24 N24 O16 P12 -","4","1","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","","0.71073","MoKα","","0.1263","0.0831","","","0.2095","0.2401","","","","","","1.134","","","","has coordinates,has disorder","223323","2020-10-21","18:00:00",""
"7701633","10.9905","0.0002","10.9905","0.0002","34.6093","0.0008","90","","90","","120","","3620.41","0.13","100","","100","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C23.05 H22.1 Au Cl2.3 N3 P S0.35 -","- C23.05 H22.1 Au Cl2.3 N3 P S0.35 -","- C138.3 H132.6 Au6 Cl13.8 N18 P6 S2.1 -","6","1","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","x-ray","0.71073","MoKα","","0.0453","0.0399","","","0.1017","0.1056","","","","","","1.091","","","","has coordinates,has disorder","223323","2020-10-21","18:00:00",""
"7701634","9.4576","0.0005","10.1973","0.0005","13.0812","0.0009","97.575","0.005","108.22","0.005","91.529","0.004","1184.77","0.12","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 Au2 F6 N6 O6 P2 S2 -","- C46 H40 Au2 F6 N6 O6 P2 S2 -","- C46 H40 Au2 F6 N6 O6 P2 S2 -","1","0.5","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","x-ray","0.71073","MoKα","","0.0273","0.0253","","","0.0617","0.0623","","","","","","1.012","","","","has coordinates","223323","2020-10-21","18:00:00",""
"7701635","8.4784","0.0005","24.9135","0.0009","8.7132","0.0005","90","","98.792","0.004","90","","1818.83","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Au2 N6 P2 -","- C42 H34 Au2 N6 P2 -","- C84 H68 Au4 N12 P4 -","2","0.5","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","x-ray","0.71073","MoKα","","0.0341","0.0236","","","0.0537","0.0565","","","","","","1.005","","","","has coordinates","223323","2020-10-21","18:00:00",""
"7701636","22.5105","0.0005","11.1318","0.0002","23.4398","0.0006","90","","104.362","0.002","90","","5690","0.2","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23.75 H22.5 Au Cl2.5 F3 N3 O3 P S -","- C23.75 H22.5 Au Cl2.5 F3 N3 O3 P S -","- C190 H180 Au8 Cl20 F24 N24 O24 P8 S8 -","8","2","","Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15427","15434","10.1039/c9dt01239g","","x-ray","0.71073","MoKα","","0.0434","0.0339","","","0.0799","0.0855","","","","","","1.082","","","","has coordinates,has disorder","223323","2020-10-21","18:00:00",""
"7701637","10.628","0.003","10.628","0.003","12.506","0.003","90","","90","","120","","1223.4","0.6","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C12 H25 Cl3 Mn N4 -","- C12 H25 Cl3 Mn N4 -","- C36 H75 Cl9 Mn3 N12 -","3","0.166667","","Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15480","15486","10.1039/c9dt02187f","","","0.71075","MoKα","","0.0225","0.0221","","","0.0516","0.0518","","","","","","1.06","","","","has coordinates","223324","2020-10-21","18:00:00",""
"7701638","12.568","0.002","12.844","0.002","13.236","0.002","90","","90","","90","","2136.6","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 Mn N4 O4 -","- C14 H30 Cl4 Mn N4 O4 -","- C56 H120 Cl16 Mn4 N16 O16 -","4","1","","Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15480","15486","10.1039/c9dt02187f","","","0.71075","MoKα","","0.0731","0.0531","","","0.0976","0.1044","","","","","","1.152","","","","has coordinates","223324","2020-10-21","18:00:00",""
"7701639","7.8885","0.0019","9.447","0.003","8.269","0.002","90","","96.572","0.006","90","","612.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H17 Cl3 Mn N2 O -","- C7 H17 Cl3 Mn N2 O -","- C14 H34 Cl6 Mn2 N4 O2 -","2","0.5","","Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15480","15486","10.1039/c9dt02187f","","","0.71075","MoKα","","0.0636","0.0445","","","0.0981","0.1059","","","","","","1.132","","","","has coordinates","223324","2020-10-21","18:00:00",""
"7701640","13.273","0.003","46.113","0.009","9.1517","0.0018","90","","90","","90","","5601","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H34 Cl2 Co N3 -","- C30 H34 Cl2 Co N3 -","- C240 H272 Cl16 Co8 N24 -","8","0.5","","Wang, Zheng; Ma, Yanping; Guo, Jingjing; Liu, Qingbin; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bis(imino)pyridines fused with 6- and 7-membered carbocylic rings as N,N,N-scaffolds for cobalt ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2582","2591","10.1039/c8dt04892d","","","0.71073","MoKα","","0.0628","0.0598","","","0.1418","0.1442","","","","","","1.0495","","","","has coordinates,has disorder","223325","2020-10-21","18:00:00",""
"7701641","24.045","0.005","8.9623","0.0018","13.812","0.003","90","","91.99","0.03","90","","2974.7","1.1","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 Cl2 Co N3 -","- C32 H37 Cl2 Co N3 -","- C128 H148 Cl8 Co4 N12 -","4","0.5","","Wang, Zheng; Ma, Yanping; Guo, Jingjing; Liu, Qingbin; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bis(imino)pyridines fused with 6- and 7-membered carbocylic rings as N,N,N-scaffolds for cobalt ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2582","2591","10.1039/c8dt04892d","","","0.71073","MoKα","","0.0899","0.0838","","","0.2098","0.2133","","","","","","1.191","","","","has coordinates,has disorder","223325","2020-10-21","18:00:00",""
"7701642","10.061","0.002","24.985","0.005","14.22","0.003","90","","95.3","0.03","90","","3559.3","1.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Cl2 Co N3 -","- C38 H49 Cl2 Co N3 -","- C152 H196 Cl8 Co4 N12 -","4","1","","Wang, Zheng; Ma, Yanping; Guo, Jingjing; Liu, Qingbin; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bis(imino)pyridines fused with 6- and 7-membered carbocylic rings as N,N,N-scaffolds for cobalt ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2582","2591","10.1039/c8dt04892d","","","0.71073","MoKα","","0.0504","0.048","","","0.1065","0.108","","","","","","1.0396","","","","has coordinates,has disorder","223325","2020-10-21","18:00:00",""
"7701643","9.3592","0.0003","10.4885","0.0004","11.7596","0.0004","78.374","0.003","78.775","0.003","64.478","0.003","1012.73","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 B Br N P -","- C18 H36 B Br N P -","- C36 H72 B2 Br2 N2 P2 -","2","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0308","0.0281","","","0.073","0.0748","","","","","","1.039","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701644","10.0544","0.0005","10.7112","0.0005","15.331","0.0007","72.266","0.004","87.764","0.004","76.262","0.004","1526.63","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H58 B N P2 -","- C30 H58 B N P2 -","- C60 H116 B2 N2 P4 -","2","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0521","0.0388","","","0.1076","0.1154","","","","","","1.108","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701645","26.974","0.0015","6.4025","0.0003","33.146","0.0015","90","","90.429","0.004","90","","5724.2","0.5","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H49 B P2 -","- C30 H49 B P2 -","- C240 H392 B8 P16 -","8","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","x-ray","0.71073","MoKα","","0.0623","0.0477","","","0.1231","0.1307","","","","","","1.037","","","","has coordinates,has disorder","223326","2020-10-21","18:00:00",""
"7701646","8.14383","0.00018","14.2729","0.0004","15.9925","0.0004","90","","100.262","0.0017","90","","1829.17","0.08","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B Br N P -","- C14 H32 B Br N P -","- C56 H128 B4 Br4 N4 P4 -","4","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0474","0.0336","","","0.0738","0.0803","","","","","","1.04","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701647","9.207","0.002","19.7513","0.0018","14.7468","0.0019","90","","90.01","0.015","90","","2681.7","0.7","120","2","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H42 B N P2 -","- C26 H42 B N P2 -","- C104 H168 B4 N4 P8 -","4","2","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0411","0.0332","","","0.0794","0.0819","","","","","","1.031","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701648","9.7043","0.0006","10.326","0.0008","14.6037","0.0011","106.292","0.006","95.312","0.006","106.653","0.006","1321.69","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 B N P2 -","- C30 H34 B N P2 -","- C60 H68 B2 N2 P4 -","2","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.1395","0.0802","","","0.1964","0.2266","","","","","","0.941","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701649","10.9465","0.0003","19.406","0.0003","11.5916","0.0003","90","","100.036","0.002","90","","2424.7","0.1","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 B P2 -","- C26 H33 B P2 -","- C104 H132 B4 P8 -","4","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.041","0.0334","","","0.0851","0.0892","","","","","","1.047","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701650","9.189","0.0003","18.9811","0.0005","19.7394","0.0008","90","","93.494","0.003","90","","3436.5","0.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B Cl2 N P2 Pt -","- C33 H42 B Cl2 N P2 Pt -","- C132 H168 B4 Cl8 N4 P8 Pt4 -","4","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0303","0.027","","","0.0675","0.0695","","","","","","1.014","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701651","8.5349","0.0004","10.8909","0.0006","13.1235","0.0007","80.516","0.004","80.617","0.004","81.687","0.004","1178.38","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H41 B P2 -","- C22 H41 B P2 -","- C44 H82 B2 P4 -","2","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0398","0.0328","","","0.0905","0.095","","","","","","1.079","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701652","18.7656","0.0003","18.7656","0.0003","32.6336","0.0005","90","","90","","90","","11491.8","0.3","120","2","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H46 B N P2 -","- C30 H46 B N P2 -","- C480 H736 B16 N16 P32 -","16","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","","0.71073","MoKα","","0.0813","0.0635","","","0.1581","0.1726","","","","","","1.04","","","","has coordinates","223326","2020-10-21","18:00:00",""
"7701653","13.984","0.002","13.984","0.002","37.261","0.006","90","","90","","90","","7286.5","1.9","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C66 H78 N18 O14 Pd4 S4 -","- C66 H78 N18 O14 Pd4 S4 -","- C264 H312 N72 O56 Pd16 S16 -","4","0.25","","Kalaiarasi, G.; Dharani, S.; Lynch, V. M.; Prabhakaran, R.","para metallation of 3-acetyl-chromen-2-one Schiff bases in tetranuclear palladacycles: focus on their biomolecular interaction and in vitro cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12496","12511","10.1039/c9dt02663k","","","0.71073","MoKα","","0.0827","0.0573","","","0.115","0.1244","","","","","","1.055","","","","has coordinates,has disorder","223327","2020-10-21","18:00:00",""
"7701654","14.391","0.0017","14.391","0.0017","36.358","0.004","90","","90","","90","","7529.8","1.5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H44 N12 O8 Pd4 S4 -","- C52 H44 N12 O8 Pd4 S4 -","- C208 H176 N48 O32 Pd16 S16 -","4","0.25","","Kalaiarasi, G.; Dharani, S.; Lynch, V. M.; Prabhakaran, R.","para metallation of 3-acetyl-chromen-2-one Schiff bases in tetranuclear palladacycles: focus on their biomolecular interaction and in vitro cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12496","12511","10.1039/c9dt02663k","","","0.71073","MoKα","","0.0847","0.066","","","0.106","0.112","","","","","","1.066","","","","has coordinates","223327","2020-10-21","18:00:00",""
"7701655","15.05","0.016","15.307","0.016","17.034","0.018","96.49","0.03","95.7","0.03","114.56","0.02","3499","6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 N12 O8 Pd4 S4 -","- C56 H52 N12 O8 Pd4 S4 -","- C112 H104 N24 O16 Pd8 S8 -","2","1","","Kalaiarasi, G.; Dharani, S.; Lynch, V. M.; Prabhakaran, R.","para metallation of 3-acetyl-chromen-2-one Schiff bases in tetranuclear palladacycles: focus on their biomolecular interaction and in vitro cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12496","12511","10.1039/c9dt02663k","","","0.71073","MoKα","","0.256","0.1236","","","0.2552","0.3128","","","","","","1.018","","","","has coordinates","223327","2020-10-21","18:00:00",""
"7701656","15.5188","0.0002","8.3081","0.0001","17.732","0.0003","90","","112.067","0.002","90","","2118.74","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl N4 O3 Pd S -","- C21 H21 Cl N4 O3 Pd S -","- C84 H84 Cl4 N16 O12 Pd4 S4 -","4","1","","Kalaiarasi, G.; Dharani, S.; Lynch, V. M.; Prabhakaran, R.","para metallation of 3-acetyl-chromen-2-one Schiff bases in tetranuclear palladacycles: focus on their biomolecular interaction and in vitro cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12496","12511","10.1039/c9dt02663k","","","1.54184","CuKα","","0.0216","0.0213","","","0.0568","0.0571","","","","","","1.017","","","","has coordinates","223327","2020-10-21","18:00:00",""
"7701657","22.9019","0.0004","13.94647","0.00019","24.2943","0.0004","90","","113.566","0.002","90","","7112.5","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10.4 H40.8 As2 N5.2 O66 Ru0 W18 -","- C10.4 H40.8 As2 N5.2 O66 W18 -","- C41.6 H163.2 As8 N20.8 O264 W72 -","4","1","","Mukhacheva, Anna A.; Shmakova, Alexandra A.; Volchek, Victoria V.; Romanova, Tamara E.; Benassi, Enrico; Gushchin, Artem L.; Yanshole, Vadim; Sheven, Dmitri G.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Reactions of [Ru(NO)Cl<sub>5</sub>]<sup>2-</sup> with pseudotrilacunary {XW<sub>9</sub>O<sub>33</sub>}<sup>9-</sup> (X = As<sup>III</sup>, Sb<sup>III</sup>) anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15989","15999","10.1039/c9dt03328a","","x-ray","0.71073","MoKα","","0.0603","0.042","","","0.0922","0.0995","","","","","","1.046","","","","has coordinates,has disorder","223328","2020-10-21","18:00:00",""
"7701658","12.5497","0.0004","18.5385","0.0007","15.6808","0.0005","90","","90","","90","","3648.2","0.2","130","2","130","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Cs5.37 O65.6 Ru Sb W17 -","- Cs5.36 O65.6 Ru Sb W17 -","- Cs10.72 O131.2 Ru2 Sb2 W34 -","2","0.25","","Mukhacheva, Anna A.; Shmakova, Alexandra A.; Volchek, Victoria V.; Romanova, Tamara E.; Benassi, Enrico; Gushchin, Artem L.; Yanshole, Vadim; Sheven, Dmitri G.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Reactions of [Ru(NO)Cl<sub>5</sub>]<sup>2-</sup> with pseudotrilacunary {XW<sub>9</sub>O<sub>33</sub>}<sup>9-</sup> (X = As<sup>III</sup>, Sb<sup>III</sup>) anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15989","15999","10.1039/c9dt03328a","","x-ray","0.71073","MoKα","","0.0688","0.0549","","","0.155","0.1641","","","","","","1.065","","","","has coordinates","223328","2020-10-21","18:00:00",""
"7701659","21.1706","0.0014","21.1706","0.0014","15.68","0.002","90","","90","","120","","6086.2","1","130","2","130","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C8 H24 N4 O62 Ru1.02 Sb W16.98 -","- C8.0016 H27.6048 N3.9996 O61.9996 Ru1.02 Sb W16.98 -","- C24.0048 H82.8144 N11.9988 O185.999 Ru3.06 Sb3 W50.94 -","3","0.0833333","","Mukhacheva, Anna A.; Shmakova, Alexandra A.; Volchek, Victoria V.; Romanova, Tamara E.; Benassi, Enrico; Gushchin, Artem L.; Yanshole, Vadim; Sheven, Dmitri G.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Reactions of [Ru(NO)Cl<sub>5</sub>]<sup>2-</sup> with pseudotrilacunary {XW<sub>9</sub>O<sub>33</sub>}<sup>9-</sup> (X = As<sup>III</sup>, Sb<sup>III</sup>) anions.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15989","15999","10.1039/c9dt03328a","","x-ray","0.71073","MoKα","","0.0579","0.0418","","","0.1046","0.1102","","","","","","1.099","","","","has coordinates,has disorder","223328","2020-10-21","18:00:00",""
"7701660","15.486","","16.747","","17.967","","91.59","","91.82","","90.66","","4655.13","","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H148 N16 O12 P4 Ti4 -","- C72 H148 N16 O12 P4 Ti4 -","- C144 H296 N32 O24 P8 Ti8 -","2","1","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.1704","0.0932","","","0.2132","0.2594","","","","","","1.06","","","","has coordinates","223329","2020-10-21","18:00:00",""
"7701661","9.9388","0.0002","15.589","0.0004","19.0437","0.0005","90","","90","","90","","2950.55","0.12","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N4 O6 P2 Ti -","- C24 H42 N4 O6 P2 Ti -","- C96 H168 N16 O24 P8 Ti4 -","4","1","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0435","0.0351","","","0.0726","0.0757","","","","","","1.036","","","","has coordinates","223329","2020-10-21","18:00:00",""
"7701662","14.113","0.003","10.978","0.002","11.644","0.002","90","","112.55","0.006","90","","1666.1","0.6","90","","90","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28 H50 N4 O6 P2 Ti -","- C28 H50 N4 O6 P2 Ti -","- C56 H100 N8 O12 P4 Ti2 -","2","0.5","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0815","0.0757","","","0.1576","0.1608","","","","","","0.998","","","","has coordinates,has disorder","223329","2020-10-21","18:00:00",""
"7701663","11.7429","0.001","22.594","0.002","16.9276","0.0014","90","","92.962","0.005","90","","4485.2","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H70 N4 O6 P2 Ti -","- C36 H66 N4 O6 P2 Ti -","- C144 H264 N16 O24 P8 Ti4 -","4","1","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0867","0.0453","","","0.0891","0.1005","","","","","","1.027","","","","has coordinates,has disorder","223329","2020-10-21","18:00:00",""
"7701664","12.2852","0.0007","17.6497","0.0009","20.5001","0.0012","90","","94.609","0.002","90","","4430.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","mp-218","","- C38 H63 N4 O9 P3 Ti -","- C38 H63 N4 O9 P3 Ti -","- C152 H252 N16 O36 P12 Ti4 -","4","1","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0745","0.0455","","","0.1035","0.119","","","","","","1.053","","","","has coordinates","223329","2020-10-21","18:00:00",""
"7701665","21.202","0.005","21.202","0.005","31.436","0.008","90","","90","","90","","14131","6","90.15","","90.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H44 N4 O6 P2 Ti -","- C26 H46 N4 O6 P2 Ti -","- C416 H736 N64 O96 P32 Ti16 -","16","1","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0708","0.0517","","","0.1227","0.1358","","","","","","1.021","","","","has coordinates,has disorder","223329","2020-10-21","18:00:00",""
"7701666","15.2849","0.0002","16.5974","0.0002","20.0536","0.0002","90","","90","","90","","5087.39","0.1","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 B N6 O2 W -","- C24 H31 B N6 O2 W -","- C192 H248 B8 N48 O16 W8 -","8","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","0.71073","MoKα","","0.0366","0.0246","","","0.0437","0.0468","","","","","","1.053","","","","has coordinates","223330","2020-10-21","18:00:00",""
"7701667","10.0081","0.0003","15.9662","0.0005","18.8514","0.0008","90","","92.404","0.004","90","","3009.64","0.18","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 B Fe N6 O2 W -","- C30 H31 B Fe N6 O2 W -","- C120 H124 B4 Fe4 N24 O8 W4 -","4","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","1.54184","CuKα","","0.1014","0.0886","","","0.1925","0.1972","","","","","","1.299","","","","has coordinates","223330","2020-10-21","18:00:00",""
"7701668","15.9396","0.0009","12.8019","0.0008","19.6756","0.001","90","","95.28","0.006","90","","3997.9","0.4","149.99","0.11","149.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 B N6 O2 Si W -","- C38 H37 B N6 O2 Si W -","- C152 H148 B4 N24 O8 Si4 W4 -","4","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","0.71073","MoKα","","0.0723","0.0458","","","0.0797","0.0882","","","","","","1","","","","has coordinates","223330","2020-10-21","18:00:00",""
"7701669","19.0666","0.0002","12.8247","0.0002","34.3229","0.0005","90","","104.8","0.001","90","","8114.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","W(CCCCPh3)(CO)2Tp*","","- C40 H39 B Cl2 N6 O2 W -","- C40 H39 B Cl2 N6 O2 W -","- C320 H312 B8 Cl16 N48 O16 W8 -","8","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","1.54184","CuKα","","0.0315","0.0282","","","0.0734","0.0757","","","","","","1.034","","","","has coordinates,has disorder","223330","2020-10-21","18:00:00",""
"7701670","15.9977","0.0002","12.8272","0.0001","19.7393","0.0002","90","","95.38","0.001","90","","4032.77","0.07","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 B Cl3 Ge N6 O2 W -","- C39 H38 B Cl3 Ge N6 O2 W -","- C156 H152 B4 Cl12 Ge4 N24 O8 W4 -","4","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","1.54184","CuKα","","0.0388","0.0358","","","0.0953","0.0989","","","","","","1.032","","","","has coordinates,has disorder","223330","2020-10-21","18:00:00",""
"7701671","12.7417","0.0002","15.7262","0.0003","17.5006","0.0003","100.499","0.002","111.095","0.002","99.537","0.002","3113.06","0.12","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C53 H55 Au2 B2 Cl5 N12 O4 Si W2 -","- C53 H55 Au2 B2 Cl5 N12 O4 Si W2 -","- C106 H110 Au4 B4 Cl10 N24 O8 Si2 W4 -","2","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","1.54184","CuKα","","0.0714","0.0644","","","0.1813","0.1893","","","","","","1.018","","","","has coordinates,has disorder","223330","2020-10-21","18:00:00",""
"7701672","11.9225","0.0002","18.33","0.0003","20.3485","0.0004","94.5361","0.0015","92.497","0.0015","95.6302","0.0015","4405.73","0.14","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu1.5 F36 N8 O16 Tb -","- C52 H40 Cu1.5 F36 N8 O16 Tb -","- C104 H80 Cu3 F72 N16 O32 Tb2 -","2","1","","Shi, Jian Yun; Chen, Peng Yun; Wu, Ming Ze; Tian, Li; Liu, Zhong Yi","Synthesis of a series of hetero-multi-spin Ln<sub>2</sub>Cu<sub>3</sub> complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9187","9193","10.1039/c9dt00981g","","x-ray","1.54184","CuKα","","0.0465","0.0439","","","0.1123","0.1146","","","","","","1.023","","","","has coordinates,has disorder","223331","2020-10-21","18:00:00",""
"7701673","11.9061","0.0002","18.3248","0.0005","20.332","0.0005","94.322","0.002","92.4181","0.0017","95.6122","0.0019","4396.66","0.18","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu1.5 Dy F36 N8 O16 -","- C52 H40 Cu1.5 Dy F36 N8 O16 -","- C104 H80 Cu3 Dy2 F72 N16 O32 -","2","1","","Shi, Jian Yun; Chen, Peng Yun; Wu, Ming Ze; Tian, Li; Liu, Zhong Yi","Synthesis of a series of hetero-multi-spin Ln<sub>2</sub>Cu<sub>3</sub> complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9187","9193","10.1039/c9dt00981g","","x-ray","1.54184","CuKα","","0.0773","0.0665","","","0.1664","0.1759","","","","","","0.998","","","","has coordinates","223331","2020-10-21","18:00:00",""
"7701674","11.9296","0.0003","18.3338","0.0003","20.3498","0.0004","94.231","0.001","92.598","0.002","95.684","0.002","4410.63","0.16","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu1.5 F36 Gd N8 O16 -","- C52 H40 Cu1.5 F36 Gd N8 O16 -","- C104 H80 Cu3 F72 Gd2 N16 O32 -","2","1","","Shi, Jian Yun; Chen, Peng Yun; Wu, Ming Ze; Tian, Li; Liu, Zhong Yi","Synthesis of a series of hetero-multi-spin Ln<sub>2</sub>Cu<sub>3</sub> complexes based on a methyl-pyrazole nitronyl nitroxide radical with slow magnetic relaxation behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9187","9193","10.1039/c9dt00981g","","x-ray","1.54184","CuKα","","0.0781","0.0714","","","0.2003","0.21","","","","","","1.083","","","","has coordinates","223331","2020-10-21","18:00:00",""
"7701675","20.2803","0.0014","19.1095","0.0014","20.6121","0.0013","90","","90","","90","","7988.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C35 H60 Ba N4 O4 Si2 -","- C35 H60 Ba N4 O4 Si2 -","- C280 H480 Ba8 N32 O32 Si16 -","8","1","","Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9173","9180","10.1039/c9dt01512d","","x-ray","0.71073","MoKα","","0.0913","0.0445","","","0.074","0.0878","","","","","","1.006","","","","has coordinates","223332","2020-10-21","18:00:00",""
"7701676","8.4534","0.0007","15.7051","0.0016","23.035","0.002","82.635","0.003","89.876","0.003","78.763","0.003","2974","0.5","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C31 H47 N3 O4 -","- C31 H47 N3 O4 -","- C124 H188 N12 O16 -","4","2","","Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9173","9180","10.1039/c9dt01512d","","x-ray","0.71073","MoKα","","0.1465","0.1037","","","0.288","0.3265","","","","","","1.149","","","","has coordinates","223332","2020-10-21","18:00:00",""
"7701677","14.4189","0.0015","17.878","0.002","18.9056","0.0019","90","","108.664","0.003","90","","4617.2","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 Ba N3 O4 P -","- C49 H62 Ba N3 O4 P -","- C196 H248 Ba4 N12 O16 P4 -","4","1","","Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9173","9180","10.1039/c9dt01512d","","x-ray","0.71073","MoKα","","0.0497","0.0386","","","0.0862","0.0959","","","","","","1.118","","","","has coordinates,has disorder","223332","2020-10-21","18:00:00",""
"7701678","21.046","0.003","18.864","0.002","24.456","0.003","90","","90","","90","","9709","2","150","","150","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C45 H76 Ba N4 O4 Si2 -","- C45 H76 Ba N4 O4 Si2 -","- C360 H608 Ba8 N32 O32 Si16 -","8","1","","Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9173","9180","10.1039/c9dt01512d","","x-ray","0.71073","MoKα","","0.1696","0.1495","","","0.3152","0.3255","","","","","","1.253","","","","has coordinates","223332","2020-10-21","18:00:00",""
"7701679","6.9858","0.0005","6.9858","0.0005","6.9858","0.0005","90","","90","","90","","340.92","0.04","296","2","296","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Ba Cu5.79 Se0.61 Te6.39 -","- Ba Cu5.792 Se0.61 Te6.39 -","- Ba Cu5.792 Se0.61 Te6.39 -","1","0.0416667","","Jafarzadeh, Parisa; Rodrigues, Maegan R.; Shi, Yixuan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan B.; Kleinke, Holger","Effect of mixed occupancies on the thermoelectric properties of BaCu<sub>6-x</sub>Se<sub>1-y</sub>Te<sub>6+y</sub> polychalcogenides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9357","9364","10.1039/c9dt01616c","","","0.71073","MoKα","","0.0362","0.0255","","","0.0356","0.0376","","","","","","1.148","","","","has coordinates","223333","2020-10-21","18:00:00",""
"7701680","6.9819","0.0006","6.9819","0.0006","6.9819","0.0006","90","","90","","90","","340.35","0.05","296","2","296","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Ba Cu5.74 Se0.69 Te6.31 -","- Ba Cu5.744 Se0.689 Te6.309 -","- Ba Cu5.744 Se0.689 Te6.309 -","1","0.0416667","","Jafarzadeh, Parisa; Rodrigues, Maegan R.; Shi, Yixuan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan B.; Kleinke, Holger","Effect of mixed occupancies on the thermoelectric properties of BaCu<sub>6-x</sub>Se<sub>1-y</sub>Te<sub>6+y</sub> polychalcogenides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9357","9364","10.1039/c9dt01616c","","","0.71073","MoKα","","0.0197","0.0149","","","0.0248","0.0259","","","","","","1.089","","","","has coordinates","223333","2020-10-21","18:00:00",""
"7701681","6.9966","0.0009","6.9966","0.0009","6.9966","0.0009","90","","90","","90","","342.5","0.08","296","2","296","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Ba Cu5.74 Se0.43 Te6.57 -","- Ba Cu5.736 Se0.43 Te6.571 -","- Ba Cu5.736 Se0.43 Te6.571 -","1","0.0416667","","Jafarzadeh, Parisa; Rodrigues, Maegan R.; Shi, Yixuan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan B.; Kleinke, Holger","Effect of mixed occupancies on the thermoelectric properties of BaCu<sub>6-x</sub>Se<sub>1-y</sub>Te<sub>6+y</sub> polychalcogenides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9357","9364","10.1039/c9dt01616c","","","0.71073","MoKα","","0.0102","0.0101","","","0.0241","0.0242","","","","","","1.065","","","","has coordinates","223333","2020-10-21","18:00:00",""
"7701682","36.34","0.005","13.93","0.005","11.615","0.005","90","0.005","90","0.005","90","0.005","5880","3","296","2","296","2","","","","","","","","7","C 2 e b","C -2ac 2","41","","","","- C59 H56 B Ir N2 O2 S2 -","- C59 H56 B Ir N2 O2 S2 -","- C236 H224 B4 Ir4 N8 O8 S8 -","4","0.5","","Kumar, George Rajendra; Behera, Santosh Kumar; Thilagar, Pakkirisamy","Room temperature phosphorescent triarylborane functionalized iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6817","6823","10.1039/c9dt00590k","","","0.71073","MoKα","","0.0315","0.028","","","0.0759","0.0798","","","","","","0.9156","","","","has coordinates","223334","2020-10-21","18:00:00",""
"7701683","12.3693","0.0006","16.8828","0.0005","25.026","0.0011","90","","102.369","0.004","90","","5104.8","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 As2 Cl4 N2 O Zr -","- C53 H64 As2 Cl4 N2 O Zr -","- C212 H256 As8 Cl16 N8 O4 Zr4 -","4","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","x-ray","0.71073","MoKα","","0.1011","0.0523","","","0.1107","0.1305","","","","","","1.012","","","","has coordinates","223335","2020-10-21","18:00:00",""
"7701684","9.314","0.0006","13.5043","0.0008","19.5598","0.0012","95.792","0.005","95.805","0.005","103.161","0.005","2363.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 As2 N4 Zr -","- C52 H66 As2 N4 Zr -","- C104 H132 As4 N8 Zr2 -","2","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","x-ray","0.71073","MoKα","","0.0526","0.0392","","","0.0985","0.1053","","","","","","1.055","","","","has coordinates","223335","2020-10-21","18:00:00",""
"7701685","8.3091","0.0007","12.8303","0.001","13.3272","0.001","86.646","0.006","87.317","0.006","85.587","0.006","1412.87","0.19","210","","210","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 Al As Cl2 N O -","- C28 H35 Al As Cl2 N O -","- C56 H70 Al2 As2 Cl4 N2 O2 -","2","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","x-ray","0.71073","MoKα","","0.1089","0.0575","","","0.1028","0.1172","","","","","","0.923","","","","has coordinates,has disorder","223335","2020-10-21","18:00:00",""
"7701686","9.3307","0.0004","13.5735","0.0006","19.6583","0.0009","95.723","0.003","96.008","0.004","103.085","0.004","2392.11","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 As2 Hf N4 -","- C52 H66 As2 Hf N4 -","- C104 H132 As4 Hf2 N8 -","2","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","x-ray","0.71073","MoKα","","0.0436","0.0311","","","0.0751","0.0789","","","","","","1.037","","","","has coordinates","223335","2020-10-21","18:00:00",""
"7701687","23.7152","0.0008","23.7152","0.0008","31.4568","0.0012","90","","90","","90","","17691.6","1.1","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C103 H116 As4 N4 Pb2 -","- C96 H108 As4 N4 Pb2 -","- C768 H864 As32 N32 Pb16 -","8","0.5","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","","0.71073","MoKα","","0.0969","0.0582","","","0.1391","0.162","","","","","","1.036","","","","has coordinates","223335","2020-10-21","18:00:00",""
"7701688","23.6642","0.0005","23.6642","0.0005","31.7406","0.0008","90","","90","","90","","17774.6","0.7","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C101 H120 As4 N4 Sn2 -","- C101 H120 As4 N4 Sn2 -","- C808 H960 As32 N32 Sn16 -","8","0.5","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","","0.71073","MoKα","","0.1052","0.0539","","","0.1158","0.1352","","","","","","0.985","","","","has coordinates,has disorder","223335","2020-10-21","18:00:00",""
"7701689","15.2723","0.0008","13.4957","0.0005","20.3619","0.0011","90","","95.307","0.004","90","","4178.8","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 As Cl3 In Li N O4 -","- C40 H59 As Cl3 In Li N O4 -","- C160 H236 As4 Cl12 In4 Li4 N4 O16 -","4","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","x-ray","0.71073","MoKα","","0.0706","0.0415","","","0.0914","0.106","","","","","","1.052","","","","has coordinates","223335","2020-10-21","18:00:00",""
"7701690","12.3504","0.0005","16.8952","0.0005","24.8854","0.001","90","","102.52","0.003","90","","5069.2","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 As2 Cl4 Hf N2 O -","- C53 H64 As2 Cl4 Hf N2 O -","- C212 H256 As8 Cl16 Hf4 N8 O4 -","4","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of arsinoamides - early transition metal (Zr and Hf) and main group metal (Al, In, Sn, and Pb) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15207","15211","10.1039/c9dt03472b","","x-ray","0.71073","MoKα","","0.0469","0.0335","","","0.0778","0.0843","","","","","","1.025","","","","has coordinates","223335","2020-10-21","18:00:00",""
"7701691","9.743","0.002","9.743","0.002","66.337","0.013","90","0.03","90","0.03","120","0.03","5453","3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ca10 H2 Na10 O43 Te9 -","- Ca10 Na10 O43 Te9 -","- Ca60 Na60 O258 Te54 -","6","0.166667","","Zhang, Li-Yun; Lii, Kwang-Hwa","Ca<sub>10</sub>Na<sub>10</sub>[Te<sub>9</sub>O<sub>42</sub>](H<sub>2</sub>O): a hydrothermally synthesized quaternary tellurium(vi) oxide containing edge-sharing octahedral trimers.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15231","15235","10.1039/c9dt03521d","","","0.71073","MoKα","","0.0178","0.016","","","0.0428","0.0441","","","","","","1.067","","","","has coordinates","223336","2020-10-21","18:00:00",""
"7701692","33.553","0.003","6.68483","0.00014","22.247","0.002","90","","144.35","0.02","90","","2908.3","1.5","173","","173","","","","","","","","","5","A 1 2 1","A 2y","5","","","","- C20 H42 Fe2 O4 P4 -","- C20 H42 Fe2 O4 P4 -","- C80 H168 Fe8 O16 P16 -","4","1","","Whitmire, Kenton H.; Schipper, Desmond E.","In pursuit of advanced materials from single-source precursors based on metal carbonyls.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2248","2262","10.1039/c8dt03406k","","","0.71073","MoKα","","0.047","0.0354","","","0.0726","0.0769","","","","","","1.068","","","","has coordinates","223337","2020-10-21","18:00:00",""
"7701693","15.5098","0.0003","10.3095","0.0002","27.398","0.0005","90","","104.491","0.002","90","","4241.52","0.14","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H28 Cl2 Si Zr -","- C22 H28 Cl2 Si Zr -","- C176 H224 Cl16 Si8 Zr8 -","8","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot","Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2510","2520","10.1039/c8dt04986f","","","1.54184","CuKα","","0.0657","0.0578","","","0.1514","0.1593","","","","","","1.03","","","","has coordinates","223338","2020-10-21","18:00:00",""
"7701694","11.6046","0.0002","12.6961","0.0002","15.1843","0.0002","90","","99.825","0.002","90","","2204.34","0.06","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Cl2 Si Zr -","- C23 H30 Cl2 Si Zr -","- C92 H120 Cl8 Si4 Zr4 -","4","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot","Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2510","2520","10.1039/c8dt04986f","","x-ray","1.54184","CuKα","","0.0423","0.0385","","","0.1009","0.1058","","","","","","1.038","","","","has coordinates,has disorder","223338","2020-10-21","18:00:00",""
"7701695","14.7967","0.0001","21.8481","0.0001","16.9159","0.0001","90","","103.556","0.001","90","","5316.22","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Cl O Si Zr -","- C30 H37 Cl O Si Zr -","- C240 H296 Cl8 O8 Si8 Zr8 -","8","2","","Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot","Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2510","2520","10.1039/c8dt04986f","","","1.54184","CuKα","","0.0282","0.0257","","","0.0661","0.0685","","","","","","1.035","","","","has coordinates","223338","2020-10-21","18:00:00",""
"7701696","15.482","0.0003","10.3037","0.0002","27.306","0.0005","90","","104.261","0.001","90","","4221.67","0.14","150","2","150","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C22 H28 Cl2 Hf Si -","- C22 H28 Cl2 Hf Si -","- C176 H224 Cl16 Hf8 Si8 -","8","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot","Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2510","2520","10.1039/c8dt04986f","","","0.71073","MoKα","","0.0519","0.0417","","","0.1048","0.1098","","","","","","1.047","","","","has coordinates","223338","2020-10-21","18:00:00",""
"7701697","26.177","0.003","26.177","0.003","24.576","0.004","90","","90","","120","","14584","3","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H35 Cl2 O6 P Ru -","- C31 H35 Cl2 O6 P Ru -","- C558 H630 Cl36 O108 P18 Ru18 -","18","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.0527","0.0369","","","0.0881","0.1063","","","","","","1.058","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701698","10.84","0.003","32.588","0.01","16.079","0.005","90","","93.378","0.005","90","","5670","3","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Cl2 F9 N2 O3 P Ru -","- C57 H48 Cl2 F9 N2 O3 P Ru -","- C228 H192 Cl8 F36 N8 O12 P4 Ru4 -","4","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.0734","0.0687","","","0.1495","0.1522","","","","","","1.093","","","","has coordinates,has disorder","223340","2020-10-21","18:00:00",""
"7701699","12.8846","0.0014","13.4812","0.0016","18.7873","0.0018","76.882","0.014","73.593","0.014","69.366","0.011","2900","0.6","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl5 O3 P Ru -","- C28 H26 Cl5 O3 P Ru -","- C112 H104 Cl20 O12 P4 Ru4 -","4","2","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71073","MoKα","","0.1036","0.0527","","","0.0845","0.1095","","","","","","1.011","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701700","10.638","0.0006","29.5028","0.0016","15.8896","0.0011","90","","95.072","0.007","90","","4967.4","0.5","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Cl2 N5 O3 P Ru -","- C57 H48 Cl2 N5 O3 P Ru -","- C228 H192 Cl8 N20 O12 P4 Ru4 -","4","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71073","MoKα","","0.1672","0.0896","","","0.1319","0.1545","","","","","","1.083","","","","has coordinates,has disorder","223340","2020-10-21","18:00:00",""
"7701701","13.5992","0.0019","13.664","0.0017","19.245","0.002","108.828","0.014","99.84","0.02","102.742","0.016","3185.9","0.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Cl2 F9 O3 P Ru -","- C31 H26 Cl2 F9 O3 P Ru -","- C124 H104 Cl8 F36 O12 P4 Ru4 -","4","2","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71073","MoKα","","0.137","0.0626","","","0.1048","0.1328","","","","","","1.008","","","","has coordinates,has disorder","223340","2020-10-21","18:00:00",""
"7701702","12.849","0.002","20.749","0.004","14.436","0.003","90","","97.129","0.005","90","","3818.9","1.2","93","","93","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28.25 H26.5 Cl2.5 F15 O3 P Ru S3 -","- C28.25 H26.5 Cl2.5 F15 O3 P Ru S3 -","- C113 H106 Cl10 F60 O12 P4 Ru4 S12 -","4","2","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.0684","0.0516","","","0.1068","0.1197","","","","","","1.082","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701703","10.688","0.003","30.998","0.009","15.794","0.005","90","","93.633","0.008","90","","5222","3","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Cl5 N2 O3 P Ru -","- C54 H48 Cl5 N2 O3 P Ru -","- C216 H192 Cl20 N8 O12 P4 Ru4 -","4","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.1634","0.1306","","","0.3006","0.318","","","","","","1.121","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701704","16.522","0.009","39.79","0.02","9.596","0.006","90","","101.371","0.01","90","","6185","6","93","","93","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl2 F15 N2 O3 P Ru S3 -","- C54 H48 Cl2 F15 N2 O3 P Ru S3 -","- C216 H192 Cl8 F60 N8 O12 P4 Ru4 S12 -","4","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71073","MoKα","","0.1364","0.0869","","","0.2137","0.2441","","","","","","1.033","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701705","9.329","0.004","12.681","0.005","15.181","0.005","92.167","0.007","102.588","0.009","109.537","0.009","1639.8","1.1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Cl4 N3 O3 P Ru -","- C32 H28 Cl4 N3 O3 P Ru -","- C64 H56 Cl8 N6 O6 P2 Ru2 -","2","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71073","MoKα","","0.0768","0.0459","","","0.0982","0.1105","","","","","","1.037","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701706","10.6","0.003","29.872","0.009","16.619","0.005","90","","92.943","0.005","90","","5255","3","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H57 Cl2 N2 O6 P Ru -","- C57 H57 Cl2 N2 O6 P Ru -","- C228 H228 Cl8 N8 O24 P4 Ru4 -","4","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.0855","0.0717","","","0.1835","0.1918","","","","","","1.137","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701707","18.5858","0.0008","24.9993","0.001","40.622","0.0017","90","","90","","90","","18874.3","1.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H84.4 N48 Ni8 O10.2 -","- C64 H76 N48 Ni8 O10.2 -","- C512 H608 N384 Ni64 O81.6 -","8","0.25","","Abbasi, Parisa; Athanasopoulou, Angeliki A.; Mazarakioti, Eleni C.; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Pilkington, Melanie; Stamatatos, Theocharis C.","Click chemistry as a route to the synthesis of structurally new and magnetically interesting coordination clusters: a {Ni} complex with a trapezoidal prismatic topology.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11632","11636","10.1039/c9dt01998g","","","0.7749","synchrotron","","0.1263","0.095","","","0.2535","0.2983","","","","","","1.039","","","","has coordinates,has disorder","223341","2020-10-21","18:00:00",""
"7701708","14.2417","0.0002","22.3662","0.0004","16.4812","0.0003","90","","97.5685","0.0008","90","","5204.07","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H78 B2 N6 -","- C54 H78 B2 N6 -","- C216 H312 B8 N24 -","4","2","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","0.71073","MoKα","","0.0908","0.0611","","0.1562","0.1292","0.1562","","","","","","0.9471","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701709","19.0773","0.0002","13.7845","0.0001","20.3735","0.0002","90","","99.78","0.001","90","","5279.78","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 B2 N6 -","- C55 H80 B2 N6 -","- C220 H320 B8 N24 -","4","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.5418","CuKα","","0.0518","0.046","","","0.1235","0.1294","","","","","","1.038","","","","has coordinates","223342","2020-10-21","18:00:00",""
"7701710","42.2093","0.0012","42.2093","0.0012","13.867","0.0005","90","","90","","90","","24705.8","1.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C62.5 H89 B2 Ge N7 O2 -","- C62.5 H89 B2 Ge N7 O2 -","- C1000 H1424 B32 Ge16 N112 O32 -","16","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.0733","0.052","","","0.1384","0.1527","","","","","","1.04","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701711","10.4446","0.0004","19.182","0.0005","27.6921","0.0007","93.576","0.002","96.319","0.003","90.149","0.002","5503.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H160.41 B4 N12 Sn1.29 -","- C111 H160.414 B4 N12 Sn1.293 -","- C222 H320.828 B8 N24 Sn2.586 -","2","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.138","0.1169","","","0.3225","0.3457","","","","","","1.3","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701712","13.4539","0.0001","18.6681","0.0002","23.0034","0.0003","90","","90","","90","","5777.51","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H87 B2 Ge N7 O2 -","- C58 H87 B2 Ge N7 O2 -","- C232 H348 B8 Ge4 N28 O8 -","4","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.0294","0.027","","","0.0695","0.0714","","","","","","1.015","","","","has coordinates","223342","2020-10-21","18:00:00",""
"7701713","10.911","0.0001","12.8255","0.0001","38.0195","0.0005","90","","90.504","0.001","90","","5320.21","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 B2 N6 -","- C58 H78 B2 N6 -","- C232 H312 B8 N24 -","4","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.05","0.0436","","","0.1113","0.1169","","","","","","1.024","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701714","12.9973","0.0001","20.9096","0.0001","21.1512","0.0002","90","","103.432","0.0007","90","","5590.98","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C113 H164 B4 Ge2 N12 -","- C113 H164 B4 Ge2 N12 -","- C226 H328 B8 Ge4 N24 -","2","0.5","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.5418","CuKα","","0.0337","0.031","","0.0848","0.0818","0.0848","","","","","","0.9944","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701715","10.58","0.0002","13.7902","0.0002","36.8584","0.0004","90","","91.038","0.001","90","","5376.77","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H78 B2 N6 Sn -","- C55 H78 B2 N6 Sn -","- C220 H312 B8 N24 Sn4 -","4","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.1044","0.1005","","","0.3153","0.3224","","","","","","1.496","","","","has coordinates,has disorder","223342","2020-10-21","18:00:00",""
"7701716","10.6441","0.0002","13.4667","0.0004","19.8671","0.0005","70.951","0.002","78.321","0.002","89.024","0.002","2632.39","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H78 B2 Ge N6 -","- C55 H78 B2 Ge N6 -","- C110 H156 B4 Ge2 N12 -","2","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.039","0.0346","","","0.0931","0.0966","","","","","","1.038","","","","has coordinates","223342","2020-10-21","18:00:00",""
"7701717","14.5936","0.0005","33.0583","0.0011","17.6608","0.0006","90","","92.961","0.001","90","","8508.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C137 H184 Br8 Mn19 N10 O53 -","- C137 H184 Br8 Mn19 N10 O53 -","- C274 H368 Br16 Mn38 N20 O106 -","2","0.5","","Chevallot-Beroux, Elodie; Ako, Ayuk M.; Schmitt, Wolfgang; Twamley, Brendan; Moran, Joseph; Corinne, Boudon; Ruhlmann, Laurent; Mameri, Samir","Synthesis of new Mn<sub>19</sub> analogues and their structural, electrochemical and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4830","4836","10.1039/c8dt04807j","","","0.71073","MoKα","","0.0512","0.0366","","","0.0872","0.094","","","","","","1.076","","","","has coordinates,has disorder","223343","2020-10-21","18:00:00",""
"7701718","20.6642","0.0008","20.6642","0.0008","35.2511","0.0015","90","","90","","120","","13035.9","0.9","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C127 H154 Cl8 Mn18 N6 O51 Sr -","- C127 H154.001 Cl8 Mn18 N6 O51 Sr -","- C381 H462.002 Cl24 Mn54 N18 O153 Sr3 -","3","0.166667","","Chevallot-Beroux, Elodie; Ako, Ayuk M.; Schmitt, Wolfgang; Twamley, Brendan; Moran, Joseph; Corinne, Boudon; Ruhlmann, Laurent; Mameri, Samir","Synthesis of new Mn<sub>19</sub> analogues and their structural, electrochemical and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4830","4836","10.1039/c8dt04807j","","x-ray","0.71073","MoKα","","0.0751","0.0535","","","0.1547","0.1736","","","","","","1.056","","","","has coordinates,has disorder","223343","2020-10-21","18:00:00",""
"7701719","13.948","0.003","14.816","0.004","19.468","0.004","88.54","0.02","88.52","0.02","62.46","0.02","3565.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N2 O3 Zn -","- C42 H44 N2 O3 Zn -","- C168 H176 N8 O12 Zn4 -","4","2","","Petrus, Rafał; Sobota, Piotr","A new, simple, and efficient strategy for the preparation of active antifungal biodegradable materials via ring-opening polymerization of l-lactide with zinc aryloxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8193","8208","10.1039/c9dt00627c","","","1.54178","CuKα","","0.1399","0.1102","","","0.2915","0.3272","","","","","","1.271","","","","has coordinates,has disorder","223344","2020-10-21","18:00:00",""
"7701720","9.552","0.003","11.195","0.005","15.144","0.006","79.46","0.03","75.77","0.03","69.23","0.04","1459.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 N2 O2 Zn -","- C33 H41 N2 O2 Zn -","- C66 H82 N4 O4 Zn2 -","2","1","","Petrus, Rafał; Sobota, Piotr","A new, simple, and efficient strategy for the preparation of active antifungal biodegradable materials via ring-opening polymerization of l-lactide with zinc aryloxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8193","8208","10.1039/c9dt00627c","","","0.71073","MoKα","","0.063","0.0479","","","0.1076","0.1166","","","","","","1.062","","","","has coordinates","223344","2020-10-21","18:00:00",""
"7701721","9.182","0.003","12.106","0.004","12.576","0.004","90","","108.9","0.03","90","","1322.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O2 Zn -","- C30 H34 N2 O2 Zn -","- C60 H68 N4 O4 Zn2 -","2","1","","Petrus, Rafał; Sobota, Piotr","A new, simple, and efficient strategy for the preparation of active antifungal biodegradable materials via ring-opening polymerization of l-lactide with zinc aryloxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8193","8208","10.1039/c9dt00627c","","","0.71073","MoKα","","0.041","0.0346","","","0.0888","0.0912","","","","","","1.011","","","","has coordinates,has disorder","223344","2020-10-21","18:00:00",""
"7701722","9.541","0.004","11.12","0.004","16.528","0.006","78.21","0.03","88.34","0.03","69.47","0.04","1605.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N2 O2 Zn -","- C37 H42 N2 O2 Zn -","- C74 H84 N4 O4 Zn2 -","2","1","","Petrus, Rafał; Sobota, Piotr","A new, simple, and efficient strategy for the preparation of active antifungal biodegradable materials via ring-opening polymerization of l-lactide with zinc aryloxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8193","8208","10.1039/c9dt00627c","","","0.71073","MoKα","","0.0576","0.0437","","","0.0887","0.0965","","","","","","1.05","","","","has coordinates","223344","2020-10-21","18:00:00",""
"7701723","13.0825","0.0003","13.85","0.0005","20.4656","0.0005","85.316","0.002","80.0763","0.0019","78.87","0.002","3579.54","0.18","99.9","0.4","99.9","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C75 H90 Cl2 Co Ir N5 O9 P3 Ru -","- C69 H76 Cl2 Co Ir N5 O9 P3 Ru -","- C138 H152 Cl4 Co2 Ir2 N10 O18 P6 Ru2 -","2","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","1.54184","CuKα","","0.0312","0.0291","","","0.0763","0.0777","","","","","","1.012","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701724","10.0055","0.0004","14.3928","0.0006","17.717","0.0007","97.827","0.003","98.001","0.003","107.838","0.004","2361.41","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H44 Ir N4 P S -","- C62 H44 Ir N4 P S -","- C124 H88 Ir2 N8 P2 S2 -","2","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","1.54184","CuKα","","0.0285","0.0246","","","0.0564","0.0581","","","","","","1.001","","","","has coordinates","223345","2020-10-21","18:00:00",""
"7701725","13.4813","0.0002","29.6101","0.0006","16.4218","0.0002","90","","101.023","0.0015","90","","6434.36","0.18","99.9","0.5","100.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H65 Cl5 Co Ir N5 O9 P3 Ru -","- C62 H65 Cl5 Co Ir N5 O9 P3 Ru -","- C248 H260 Cl20 Co4 Ir4 N20 O36 P12 Ru4 -","4","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","1.54184","CuKα","","0.0496","0.0392","","","0.0975","0.103","","","","","","1.018","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701726","19.8221","0.0004","21.8692","0.0004","25.5085","0.0005","90","","90","","90","","11057.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H54 Ir N4 O0.75 P -","- C73 H54 Ir N4 O0.75 P -","- C584 H432 Ir8 N32 O6 P8 -","8","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","0.71073","MoKα","","0.0931","0.0514","","","0.1033","0.1186","","","","","","1.001","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701727","50.7613","0.0008","11.4855","0.0002","20.6642","0.0003","90","","90.0435","0.0013","90","","12047.6","0.3","100.01","0.1","100.15","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C73.3 H56.25 Cu I Ir N4 O0.825 P -","- C72 H53 Cu I Ir N4 O0.5 P -","- C576 H424 Cu8 I8 Ir8 N32 O4 P8 -","8","4","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","0.71073","MoKα","","0.0923","0.0755","","","0.1747","0.1876","","","","","","1.041","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701728","26.2427","0.0002","10.41332","0.00013","35.1224","0.0003","90","","90","","90","","9598.03","0.16","100.1","0.1","100.1","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C128 H100 Ir2 N8 O4 P2 -","- C128 H100 Ir2 N8 O4 P2 -","- C512 H400 Ir8 N32 O16 P8 -","4","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","1.54184","CuKα","","0.0279","0.0264","","","0.0641","0.0651","","","","","","1.046","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701729","10.762","0.002","11.734","0.002","12.469","0.002","65.492","0.003","85.582","0.003","70.097","0.003","1343.4","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Ag4 F24 N12 -","- C48 H28 Ag4 F24 N12 -","- C48 H28 Ag4 F24 N12 -","1","0.5","","Titov, Aleksei A.; Filippov, Oleg A.; Smol'yakov, Alexander F.; Averin, Aleksey A.; Shubina, Elena S.","Synthesis, structures and luminescence of multinuclear silver(i) pyrazolate adducts with 1,10-phenanthroline derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8410","8417","10.1039/c9dt01355e","","","0.71073","MoKα","","0.0416","0.0305","","","0.0706","0.0767","","","","","","1.028","","","","has coordinates","223346","2020-10-21","18:00:00",""
"7701730","14.3696","0.0005","16.7297","0.0006","38.179","0.0013","79.654","0.001","81.759","0.001","87.101","0.001","8932.8","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H46 Ag6 F36 N16 -","- C82 H46 Ag6 F36 N16 -","- C328 H184 Ag24 F144 N64 -","4","2","","Titov, Aleksei A.; Filippov, Oleg A.; Smol'yakov, Alexander F.; Averin, Aleksey A.; Shubina, Elena S.","Synthesis, structures and luminescence of multinuclear silver(i) pyrazolate adducts with 1,10-phenanthroline derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8410","8417","10.1039/c9dt01355e","","","0.71073","MoKα","","0.0732","0.0438","","","0.0866","0.0984","","","","","","1.012","","","","has coordinates","223346","2020-10-21","18:00:00",""
"7701731","12.2023","0.0005","12.9913","0.0005","16.1279","0.0007","79.264","0.001","70.282","0.001","68.356","0.001","2231.46","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 Ag4 F24 N10 -","- C32 H12 Ag4 F24 N10 -","- C64 H24 Ag8 F48 N20 -","2","1","","Titov, Aleksei A.; Filippov, Oleg A.; Smol'yakov, Alexander F.; Averin, Aleksey A.; Shubina, Elena S.","Synthesis, structures and luminescence of multinuclear silver(i) pyrazolate adducts with 1,10-phenanthroline derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8410","8417","10.1039/c9dt01355e","","","0.71073","MoKα","","0.0303","0.0251","","","0.0579","0.0613","","","","","","1.051","","","","has coordinates","223346","2020-10-21","18:00:00",""
"7701732","8.9198","0.0006","15.2069","0.001","15.7177","0.001","62.43","0.002","84.064","0.002","77.04","0.002","1841.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl3 Fe N6 O2 -","- C37 H23 Cl3 Fe N6 O2 -","- C74 H46 Cl6 Fe2 N12 O4 -","2","1","","Dale, Sarah; Bonanno, Nico M.; Pelaccia, Mark; Lough, Alan J.; Miyawaki, Atsuhiro; Takahashi, Kazuyuki; Lemaire, Martin T.","Ligand mixed-valence and electrical conductivity in coordination complexes containing a redox-active phenalenol-substituted ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8053","8056","10.1039/c9dt01788g","","","0.71073","MoKα","","0.0964","0.0495","","","0.1214","0.1413","","","","","","1.047","","","","has coordinates,has disorder","223347","2020-10-21","18:00:00",""
"7701733","8.9729","0.0016","15.308","0.003","15.837","0.003","63.208","0.005","83.982","0.005","77.463","0.005","1895.4","0.6","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl3 Fe N6 O2 -","- C37 H23 Cl3 Fe N6 O2 -","- C74 H46 Cl6 Fe2 N12 O4 -","2","1","","Dale, Sarah; Bonanno, Nico M.; Pelaccia, Mark; Lough, Alan J.; Miyawaki, Atsuhiro; Takahashi, Kazuyuki; Lemaire, Martin T.","Ligand mixed-valence and electrical conductivity in coordination complexes containing a redox-active phenalenol-substituted ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8053","8056","10.1039/c9dt01788g","","","0.71073","MoKα","","0.1222","0.072","","","0.1832","0.2273","","","","","","1.024","","","","has coordinates,has disorder","223347","2020-10-21","18:00:00",""
"7701734","8.8117","0.0004","15.1002","0.0008","15.6455","0.0008","63.634","0.001","83.957","0.002","78.009","0.002","1824.31","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl3 Co N6 O2 -","- C37 H23 Cl3 Co N6 O2 -","- C74 H46 Cl6 Co2 N12 O4 -","2","1","","Dale, Sarah; Bonanno, Nico M.; Pelaccia, Mark; Lough, Alan J.; Miyawaki, Atsuhiro; Takahashi, Kazuyuki; Lemaire, Martin T.","Ligand mixed-valence and electrical conductivity in coordination complexes containing a redox-active phenalenol-substituted ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8053","8056","10.1039/c9dt01788g","","","0.71073","MoKα","","0.0848","0.0483","","","0.1164","0.1312","","","","","","1.046","","","","has coordinates,has disorder","223347","2020-10-21","18:00:00",""
"7701735","11.235","0.005","11.733","0.005","12.526","0.006","101.117","0.004","96.655","0.008","98.38","0.005","1585.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N7 O7 Ti2 -","- C27 H34 N6 O7 Ti2 -","- C54 H68 N12 O14 Ti4 -","2","1","","Fan, Xi; Fu, Hao; Zhang, Lei; Zhang, Jian","Pyrazole-thermal synthesis: a new approach towards N-rich titanium-oxo clusters with photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8049","8052","10.1039/c9dt01628g","","","0.71073","MoKα","","0.068","0.0586","","","0.1859","0.1951","","","","","","1.059","","","","has coordinates","223348","2020-10-21","18:00:00",""
"7701736","13.7282","0.0004","14.6322","0.0003","23.1079","0.0006","93.789","0.002","99.033","0.002","104.107","0.002","4419.5","0.2","295.56","0.1","295.56","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H96 N24 O20 Ti10 -","- C60 H96 N24 O20 Ti10 -","- C120 H192 N48 O40 Ti20 -","2","1","","Fan, Xi; Fu, Hao; Zhang, Lei; Zhang, Jian","Pyrazole-thermal synthesis: a new approach towards N-rich titanium-oxo clusters with photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8049","8052","10.1039/c9dt01628g","","x-ray","1.54184","CuKα","","0.0628","0.0532","","","0.1406","0.1537","","","","","","1.037","","","","has coordinates,has disorder","223348","2020-10-21","18:00:00",""
"7701737","12.7979","0.0006","23.8477","0.0014","13.052","0.0007","90","","98.629","0.005","90","","3938.4","0.4","100","0.15","100","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H57 N7 O8 Ti3 -","- C29 H57 N7 O8 Ti3 -","- C116 H228 N28 O32 Ti12 -","4","1","","Fan, Xi; Fu, Hao; Zhang, Lei; Zhang, Jian","Pyrazole-thermal synthesis: a new approach towards N-rich titanium-oxo clusters with photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8049","8052","10.1039/c9dt01628g","","x-ray","1.54184","CuKα","","0.1118","0.0829","","","0.2072","0.2411","","","","","","1.038","","","","has coordinates","223348","2020-10-21","18:00:00",""
"7701738","11.3664","0.0003","12.5996","0.0003","13.0792","0.0004","90","","94.703","0.002","90","","1866.79","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 I N Sb -","- C20 H23 I N Sb -","- C80 H92 I4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","x-ray","0.71073","MoKα","","0.0271","0.0236","","","0.054","0.0561","","","","","","1.022","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701739","9.1637","0.0003","10.9833","0.0004","18.0957","0.0007","90","","95.784","0.001","90","","1812.02","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I N Sb -","- C20 H17 I N Sb -","- C80 H68 I4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.04","0.0354","","","0.088","0.0912","","","","","","1.07","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701740","10.2974","0.0008","10.3031","0.0008","15.7161","0.0011","90","","101.559","0.001","90","","1633.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F N Sb -","- C20 H17 F N Sb -","- C80 H68 F4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.0363","0.0323","","","0.0816","0.084","","","","","","1.065","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701741","9.3503","0.0003","15.9263","0.0005","11.7239","0.0004","90","","104.044","0.003","90","","1693.69","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 F N Sb -","- C20 H23 F N Sb -","- C80 H92 F4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","x-ray","0.71073","MoKα","","0.0297","0.0256","","","0.0575","0.0598","","","","","","1.097","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701742","12.3974","0.0004","9.4136","0.0003","14.8803","0.0005","90","","92.218","0.003","90","","1735.29","0.1","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 I N Sb -","- C18 H21 I N Sb -","- C72 H84 I4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","x-ray","0.71073","MoKα","","0.0274","0.0237","","","0.0497","0.0516","","","","","","1.04","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701743","9.5744","0.0003","10.2962","0.0003","18.1939","0.0006","90","","100.795","0.001","90","","1761.81","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br N Sb -","- C20 H17 Br N Sb -","- C80 H68 Br4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.0336","0.0294","","","0.0684","0.0709","","","","","","1.041","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701744","10.2338","0.0005","16.5885","0.0007","12.0033","0.0005","90","","113.346","0.002","90","","1870.89","0.15","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Br N Sb -","- C20 H23 Br N Sb -","- C80 H92 Br4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.0267","0.0196","","","0.0384","0.0416","","","","","","1.066","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701745","9.8178","0.0004","16.1278","0.0005","11.4078","0.0005","90","","109.895","0.001","90","","1698.5","0.11","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br N Sb -","- C18 H21 Br N Sb -","- C72 H84 Br4 N4 Sb4 -","4","1","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.015","0.0143","","","0.0537","0.0541","","","","","","1.028","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701746","17.7432","0.0009","10.6409","0.0006","17.8551","0.001","90","","96.996","0.002","90","","3346","0.3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H21 F N Sb -","- C18 H21 F N Sb -","- C144 H168 F8 N8 Sb8 -","8","2","","Lei, Jian; Peng, Lingteng; Qiu, Renhua; Liu, Yongping; Chen, Yi; Au, Chak-Tong; Yin, Shuang-Feng","Establishing the correlation between catalytic performance and N→Sb donor-acceptor interaction: systematic assessment of azastibocine halide derivatives as water tolerant Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8478","8487","10.1039/c9dt01100e","","","0.71073","MoKα","","0.0421","0.0419","","","0.1202","0.1205","","","","","","1.079","","","","has coordinates","223349","2020-10-21","18:00:00",""
"7701747","10.6027","0.0003","12.6481","0.0004","20.3238","0.0005","90","","90","","90","","2725.5","0.13","","","298","","","","","","","","","3","P n n m","-P 2 2n","58","","","CAU-41","- C16 Ce6 O42.52 -","- C16 Ce6 O42.52 -","- C32 Ce12 O85.04 -","2","0.25","","Jacobsen, Jannick; Achenbach, Bastian; Reinsch, Helge; Smolders, Simon; Lange, Florian-David; Friedrichs, Gernot; De Vos, Dirk; Stock, Norbert","The first water-based synthesis of Ce(iv)-MOFs with saturated chiral and achiral C<sub>4</sub>-dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8433","8441","10.1039/c9dt01542f","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","223350","2020-10-21","18:00:00",""
"7701748","10.6094","0.0003","12.5145","0.0004","20.4034","0.0006","90","","90","","90","","2708.99","0.14","","","298","","","","","","","","","4","P n n m","-P 2 2n","58","","","CAU-44","- C32 Ce12 N2.48 O83.52 -","- C32 Ce12 N2.48 O83.52 -","- C32 Ce12 N2.48 O83.52 -","1","0.125","","Jacobsen, Jannick; Achenbach, Bastian; Reinsch, Helge; Smolders, Simon; Lange, Florian-David; Friedrichs, Gernot; De Vos, Dirk; Stock, Norbert","The first water-based synthesis of Ce(iv)-MOFs with saturated chiral and achiral C<sub>4</sub>-dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8433","8441","10.1039/c9dt01542f","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","223350","2020-10-21","18:00:00",""
"7701749","18.65148","0.00016","18.65148","0.00016","18.65148","0.00016","90","","90","","90","","6488.43","0.1","","","298","","","","","","","","","4","P n -3 :1","P 2 2 3 -1n","201","","","Ce-UiO-66-Asp","- C48 Ce12 N12 O102.2 -","- C48 Ce12 N12 O102.2 -","- C96 Ce24 N24 O204.4 -","2","0.0833333","","Jacobsen, Jannick; Achenbach, Bastian; Reinsch, Helge; Smolders, Simon; Lange, Florian-David; Friedrichs, Gernot; De Vos, Dirk; Stock, Norbert","The first water-based synthesis of Ce(iv)-MOFs with saturated chiral and achiral C<sub>4</sub>-dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8433","8441","10.1039/c9dt01542f","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","223350","2020-10-21","18:00:00",""
"7701750","16.632","0.0009","22.3932","0.0009","14.7748","0.0008","90","","90","","90","","5502.8","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H20 Mn N2 O14 -","- C28 H20 Mn N2 O14 -","- C224 H160 Mn8 N16 O112 -","8","0.5","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.071","0.0457","","","0.0925","0.1078","","","","","","1.048","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701751","7.4651","0.0005","12.887","0.0009","13.8979","0.001","113.506","0.007","105.246","0.006","93.204","0.005","1163.22","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N3 O8 -","- C26 H19 Co N3 O8 -","- C52 H38 Co2 N6 O16 -","2","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0466","0.0378","","","0.0854","0.0926","","","","","","1.021","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701752","10.4593","0.0004","12.757","0.0005","17.2059","0.0005","90","","90.852","0.003","90","","2295.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Co N3 O7 -","- C26 H17 Co N3 O7 -","- C104 H68 Co4 N12 O28 -","4","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0664","0.0454","","","0.0882","0.1025","","","","","","1.04","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701753","10.2808","0.0003","12.9097","0.0003","17.7636","0.0004","90","","91.444","0.002","90","","2356.87","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Cd N3 O7 -","- C26 H17 Cd N3 O7 -","- C104 H68 Cd4 N12 O28 -","4","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0468","0.033","","","0.0684","0.078","","","","","","1.024","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701754","10.9104","0.0004","15.8917","0.001","16.675","0.001","117.723","0.006","102.004","0.004","96.874","0.004","2423.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H84 Cd4 Cl2 N14 O24 -","- C100 H84 Cd4 Cl2 N14 O24 -","- C100 H84 Cd4 Cl2 N14 O24 -","1","0.5","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0723","0.0476","","","0.105","0.1278","","","","","","0.987","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701755","11.1605","0.0005","16.7367","0.0006","11.5906","0.0006","90","","104.214","0.005","90","","2098.73","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N3 O6 Zn -","- C24 H15 N3 O6 Zn -","- C96 H60 N12 O24 Zn4 -","4","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0676","0.0474","","","0.1074","0.1225","","","","","","1.017","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701756","8.1953","0.0003","8.3093","0.0003","11.8067","0.0003","107.685","0.003","101.541","0.003","99.461","0.003","728.36","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O8 Pb -","- C14 H11 N O8 Pb -","- C28 H22 N2 O16 Pb2 -","2","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0338","0.0293","","","0.054","0.0584","","","","","","1.074","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701757","7.4381","0.0005","12.8091","0.0011","13.8818","0.001","113.546","0.008","105.247","0.006","93.155","0.006","1150.47","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N3 Ni O8 -","- C26 H19 N3 Ni O8 -","- C52 H38 N6 Ni2 O16 -","2","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0414","0.0355","","","0.081","0.0853","","","","","","1.05","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701758","7.4988","0.0004","12.8467","0.0007","13.8829","0.0011","113.373","0.006","105.315","0.006","93.176","0.005","1164.52","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N3 O8 Zn -","- C26 H19 N3 O8 Zn -","- C52 H38 N6 O16 Zn2 -","2","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0457","0.0386","","","0.0923","0.0986","","","","","","1.022","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701759","13.9345","0.0008","18.3083","0.0011","24.7863","0.0015","110.959","0.006","91.709","0.005","103.207","0.005","5705.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H103 N15 O44 Zn5 -","- C120 H103 N15 O44 Zn5 -","- C240 H206 N30 O88 Zn10 -","2","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.1942","0.0864","","","0.1083","0.1453","","","","","","1.201","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701760","11.4245","0.0009","20.3095","0.0013","27.882","0.003","90","","93.757","0.007","90","","6455.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 N8 O18 Zn3 -","- C64 H48 N8 O18 Zn3 -","- C256 H192 N32 O72 Zn12 -","4","0.5","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.1012","0.0621","","","0.1417","0.1624","","","","","","1.006","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701761","9.778","0.0005","10.2686","0.0004","29.0787","0.0016","91.638","0.004","96.974","0.004","107.47","0.004","2757.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 N8 O16 Zn4 -","- C58 H42 N8 O16 Zn4 -","- C116 H84 N16 O32 Zn8 -","2","1","","Zhao, Na; Li, Yu; Gu, Jin-Zhong; Kirillova, Marina V.; Kirillov, Alexander M.","Hydrothermal generation, structural versatility and properties of metal(ii)-organic architectures driven by a pyridine-tricarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8361","8374","10.1039/c9dt01253b","","","0.71073","MoKα","","0.0827","0.0511","","","0.0946","0.1127","","","","","","1.058","","","","has coordinates","223351","2020-10-21","18:00:00",""
"7701762","10.5585","0.0007","20.1286","0.0014","34.786","0.003","90","","90","","90","","7393","1","100","","100","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C50 H106 N8 O Si8 Sm2 -","- C50 H106 N8 O Si8 Sm2 -","- C200 H424 N32 O4 Si32 Sm8 -","4","0.5","","Kazeminejad, Neda; Münzfeld, Luca; Gamer, Michael T.; Roesky, Peter W.","Mono- and bimetallic amidinate samarium complexes - synthesis, structure, and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8153","8160","10.1039/c9dt01418g","","","0.71073","MoKα","","0.1752","0.0984","","","0.2236","0.2681","","","","","","1.017","","","","has coordinates","223352","2020-10-21","18:00:00",""
"7701763","12.0107","0.0007","26.4912","0.0018","17.3028","0.001","90","","95.898","0.005","90","","5476.2","0.6","210","","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H83 N4 O Si4 Sm -","- C47 H83 N4 O Si4 Sm -","- C188 H332 N16 O4 Si16 Sm4 -","4","1","","Kazeminejad, Neda; Münzfeld, Luca; Gamer, Michael T.; Roesky, Peter W.","Mono- and bimetallic amidinate samarium complexes - synthesis, structure, and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8153","8160","10.1039/c9dt01418g","","x-ray","0.71073","MoKα","","0.071","0.0386","","","0.0783","0.0836","","","","","","0.857","","","","has coordinates,has disorder","223352","2020-10-21","18:00:00",""
"7701764","11.3506","0.0006","40.5564","0.0019","7.2871","0.0003","90","","106.147","0.0016","90","","3222.2","0.3","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl2 Cu N7 O8 S2 -","- C30 H23 Cl2 Cu N7 O8 S2 -","- C120 H92 Cl8 Cu4 N28 O32 S8 -","4","1","","Clemett, Christopher J.; Faulkner, Robert A.; Rice, Craig R.; Slater, Christopher; Wedge, Christopher J.; Whitehead, Martina","A ligand strand that displays anion-dependant reactivity with acetonitrile; formation of either a mononuclear complex or head-to-tail circular helicate.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8427","8432","10.1039/c9dt01063g","","","0.71073","MoKα","","0.1149","0.0669","","","0.1601","0.1815","","","","","","1.0893","","","","has coordinates,has disorder","223353","2020-10-21","18:00:00",""
"7701765","40.4596","0.0019","17.1105","0.0008","23.5882","0.0012","90","","95.1214","0.0018","90","","16264.5","1.4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C136 H104 Cu4 F24 N32 O25.001 S16 -","- C136 H104 Cu4 F24 N32 O25.002 S16 -","- C544 H416 Cu16 F96 N128 O100.008 S64 -","4","0.5","","Clemett, Christopher J.; Faulkner, Robert A.; Rice, Craig R.; Slater, Christopher; Wedge, Christopher J.; Whitehead, Martina","A ligand strand that displays anion-dependant reactivity with acetonitrile; formation of either a mononuclear complex or head-to-tail circular helicate.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8427","8432","10.1039/c9dt01063g","","","0.71073","MoKα","","0.1297","0.0753","","","0.182","0.218","","","","","","1.0765","","","","has coordinates,has disorder","223353","2020-10-21","18:00:00",""
"7701766","8.3415","0.0001","16.5817","0.0003","9.2895","0.0001","90","","112.39","0.002","90","","1188.02","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","iPr-POCOP-Ni-Ph","","- C24 H36 Ni O2 P2 -","- C24 H36 Ni O2 P2 -","- C48 H72 Ni2 O4 P4 -","2","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.0408","0.0397","","","0.1024","0.1037","","","","","","1.104","","","","has coordinates","223354","2020-10-21","18:00:00",""
"7701767","13.2661","0.0002","15.3835","0.0002","28.9916","0.0003","90","","90","","90","","5916.58","0.13","293.91","0.1","293.91","0.1","","","","","","","","6","C m c e","-C 2ac 2","64","","iPr-POCOP-Pd-0-CB","","- C20 H42 B10 O2 P2 Pd -","- C20 H42 B10 O2 P2 Pd -","- C160 H336 B80 O16 P16 Pd8 -","8","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.0877","0.0889","","","","","","1.071","","","","has coordinates,has disorder","223354","2020-10-21","18:00:00",""
"7701768","8.4272","0.0003","16.7958","0.0004","9.4851","0.0003","90","","112.887","0.004","90","","1236.84","0.08","295.02","0.1","295.02","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H36 O2 P2 Pt -","- C24 H36 O2 P2 Pt -","- C48 H72 O4 P4 Pt2 -","2","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","0.71073","MoKα","","0.0386","0.0292","","","0.0539","0.0581","","","","","","1.061","","","","has coordinates","223354","2020-10-21","18:00:00",""
"7701769","11.4737","0.0002","9.9192","0.0002","14.61","0.0003","90","","100.711","0.002","90","","1633.79","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NISP","","- C16 H48 B20 Ni P2 S2 -","- C16 H48 B20 Ni P2 S2 -","- C32 H96 B40 Ni2 P4 S4 -","2","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.031","0.0257","","","0.0631","0.0659","","","","","","1.043","","","","has coordinates","223354","2020-10-21","18:00:00",""
"7701770","18.7762","0.0006","15.5899","0.0005","17.68","0.0006","90","","90","","90","","5175.3","0.3","295.16","0.1","295.16","","","","","","","","","7","P b c n","-P 2n 2ab","60","","di Ni POCOP iPr CB","","- C38 H72 B10 Ni2 O4 P4 S2 -","- C38 H72 B10 Ni2 O4 P4 S2 -","- C152 H288 B40 Ni8 O16 P16 S8 -","4","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","","0.71073","MoKα","","0.077","0.0529","","","0.1179","0.1318","","","","","","1.133","","","","has coordinates,has disorder","223354","2020-10-21","18:00:00",""
"7701771","13.1407","0.0002","15.2729","0.0002","28.7118","0.0003","90","","90","","90","","5762.36","0.13","169.99","0.1","169.99","0.1","","","","","","","","6","C m c e","-C 2ac 2","64","","iPr-POCOP-Pt-o-CB","","- C20 H42 B10 O2 P2 Pt -","- C20 H42 B10 O2 P2 Pt -","- C160 H336 B80 O16 P16 Pt8 -","8","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.0266","0.023","","","0.0531","0.0553","","","","","","1.042","","","","has coordinates,has disorder","223354","2020-10-21","18:00:00",""
"7701772","16.2947","0.0016","16.2947","0.0016","16.2947","0.0016","90","","90","","90","","4326.5","0.7","173","2","173","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C I3 K2 N O Pb -","- C I3 K2 N O Pb -","- C16 I48 K32 N16 O16 Pb16 -","16","0.0833333","","Siai, Amira; Oprea, Alexandru; Ströbele, Markus; Meyer, Hans-Jürgen","Synthesis and investigation into the structural, electronic and electrical properties of K<sub>2</sub>Pb(OCN)I<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13813","13819","10.1039/c9dt02124h","","","0.71073","MoKα","","0.0173","0.0167","","","0.0403","0.0406","","","","","","1.184","","","","has coordinates","223355","2020-10-21","18:00:00",""
"7701773","11.0476","0.0015","13.524","0.002","15.22","0.003","103.322","0.006","92.83","0.005","105.832","0.004","2113.5","0.6","188","","188","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H106 Cl2 Mn2 N4 O25 -","- C82 H88 Cl2 Mn2 N4 O24.96 -","- C82 H88 Cl2 Mn2 N4 O24.96 -","1","0.5","","Ogawa, Rina; Suzuki, Takayoshi; Hirotsu, Masakazu; Nishi, Noriyuki; Shimizu, Yuu; Sunatsuki, Yukinari; Teki, Yoshio; Kinoshita, Isamu","Tetra- and dinuclear manganese complexes of xanthene-bridged O,N,O-Schiff bases with 3-hydroxypropyl or 2-hydroxybenzyl groups: ligand substitution at a triply bridging site.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13622","13629","10.1039/c9dt03007g","","","0.71075","MoKα","","0.1769","0.0899","","","0.2233","0.2755","","","","","","1.052","","","","has coordinates,has disorder","223356","2020-10-21","18:00:00",""
"7701774","13.2444","0.0013","17.0667","0.0017","16.6189","0.0017","90","","91.476","0.003","90","","3755.3","0.7","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C76 H77 B Cl4 F4 Mn4 N4 O16 -","- C76 H74 B Cl4 F4 Mn4 N4 O16 -","- C152 H148 B2 Cl8 F8 Mn8 N8 O32 -","2","1","","Ogawa, Rina; Suzuki, Takayoshi; Hirotsu, Masakazu; Nishi, Noriyuki; Shimizu, Yuu; Sunatsuki, Yukinari; Teki, Yoshio; Kinoshita, Isamu","Tetra- and dinuclear manganese complexes of xanthene-bridged O,N,O-Schiff bases with 3-hydroxypropyl or 2-hydroxybenzyl groups: ligand substitution at a triply bridging site.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13622","13629","10.1039/c9dt03007g","","","0.710747","MoKα","","0.0897","0.0707","","","0.1729","0.1913","","","","","","1.031","","","","has coordinates,has disorder","223356","2020-10-21","18:00:00",""
"7701775","27.3689","0.0009","27.3689","0.0009","12.035","0.0005","90","","90","","90","","9014.9","0.6","133","","133","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C104.2 H94.2 Mn2 N4 O14.7 -","- C104.2 H84.8 Mn2 N4 O14.7 -","- C416.8 H339.2 Mn8 N16 O58.8 -","4","0.5","","Ogawa, Rina; Suzuki, Takayoshi; Hirotsu, Masakazu; Nishi, Noriyuki; Shimizu, Yuu; Sunatsuki, Yukinari; Teki, Yoshio; Kinoshita, Isamu","Tetra- and dinuclear manganese complexes of xanthene-bridged O,N,O-Schiff bases with 3-hydroxypropyl or 2-hydroxybenzyl groups: ligand substitution at a triply bridging site.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13622","13629","10.1039/c9dt03007g","","","0.710747","MoKα","","0.0739","0.0685","","","0.1954","0.2002","","","","","","1.107","","","","has coordinates,has disorder","223356","2020-10-21","18:00:00",""
"7701776","9.9557","0.0005","23.6054","0.001","12.2129","0.0006","90","","105.187","0.005","90","","2769.9","0.2","119.6","0.8","120.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H41 Br7 Cr Mn N O12 -","- C40 H41 Br7 Cr Mn N O12 -","- C80 H82 Br14 Cr2 Mn2 N2 O24 -","2","1","","Martínez-Hernández, Cristian; Gómez-Claramunt, Patricia; Benmansour, Samia; Gómez-García, Carlos J","Pre- and post-synthetic modulation of the ordering temperatures in a family of anilato-based magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13212","13223","10.1039/c9dt02275a","","","0.71073","MoKα","","0.107","0.0842","","","0.2077","0.2222","","","","","","1.029","","","","has coordinates","223357","2020-10-21","18:00:00",""
"7701777","10.937","0.003","17.92","0.004","10.968","0.003","90","","117.255","0.002","90","","1911","0.9","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 O3 P -","- C21 H23 O3 P -","- C84 H92 O12 P4 -","4","1","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0628","0.0465","","","0.1202","0.1316","","","","","","1.034","","","","has coordinates,has disorder","223358","2020-10-21","18:00:00",""
"7701778","9.133","0.002","15.855","0.004","12.79","0.003","90","","101.117","0.003","90","","1817.3","0.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O3 P -","- C21 H23 O3 P -","- C84 H92 O12 P4 -","4","1","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0571","0.0438","","","0.1056","0.1138","","","","","","1.026","","","","has coordinates","223358","2020-10-21","18:00:00",""
"7701779","8.606","0.003","10.259","0.003","18.844","0.006","94.697","0.005","90.536","0.005","102.113","0.005","1620.6","0.9","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 O2 P -","- C19 H18 O2 P -","- C76 H72 O8 P4 -","4","2","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0735","0.0632","","","0.1214","0.1259","","","","","","1.214","","","","has coordinates,has disorder","223358","2020-10-21","18:00:00",""
"7701780","8.9873","0.0005","15.707","0.0007","12.4419","0.0006","90","","100.431","0.002","90","","1727.32","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 O3 P -","- C20 H21 O3 P -","- C80 H84 O12 P4 -","4","1","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0754","0.055","","","0.1221","0.1325","","","","","","1.1","","","","has coordinates,has disorder","223358","2020-10-21","18:00:00",""
"7701781","8.7455","0.0006","15.6756","0.001","12.2448","0.0009","90","","98.131","0.002","90","","1661.8","0.2","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20.5 O1.75 P -","- C20 H20.5 O1.75 P -","- C80 H82 O7 P4 -","4","1","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.065","0.0489","","","0.0998","0.1151","","","","","","1.167","","","","has coordinates","223358","2020-10-21","18:00:00",""
"7701782","12.4223","0.0006","12.4223","0.0006","19.7979","0.0011","90","","90","","120","","2645.8","0.2","110","","110","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H21 O P -","- C21 H21 O P -","- C126 H126 O6 P6 -","6","0.333333","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0421","0.0368","","","0.0844","0.089","","","","","","1.085","","","","has coordinates","223358","2020-10-21","18:00:00",""
"7701783","15.5361","0.0011","12.2423","0.0009","19.5371","0.0014","90","","104.688","0.002","90","","3594.5","0.4","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O4 P2 -","- C42 H44 O4 P2 -","- C168 H176 O16 P8 -","4","0.5","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0744","0.0595","","","0.1406","0.1501","","","","","","1.084","","","","has coordinates,has disorder","223358","2020-10-21","18:00:00",""
"7701784","10.7273","0.0018","11.89","0.0018","17.402","0.003","77.787","0.005","87.943","0.006","73.552","0.004","2079.9","0.6","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H44 N6 O2 -","- C54 H44 N6 O2 -","- C108 H88 N12 O4 -","2","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0599","0.047","","","0.1072","0.116","","","","","","1.115","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701785","11.0758","0.0014","13.7776","0.0016","14.882","0.002","87.257","0.003","89.363","0.003","75.001","0.003","2191.1","0.5","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cd Cl2 N6 O11 -","- C47 H48 Cd Cl2 N6 O11 -","- C94 H96 Cd2 Cl4 N12 O22 -","2","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0392","0.037","","","0.0919","0.094","","","","","","1.025","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701786","11.9135","0.0001","12.4419","0.0001","17.5021","0.0002","78.577","0.003","79.314","0.003","78.273","0.004","2461.16","0.06","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H49 Cl3 N6 O16 Zn2 -","- C47 H49 Cl3 N6 O16 Zn2 -","- C94 H98 Cl6 N12 O32 Zn4 -","2","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0437","0.0405","","","0.1077","0.1108","","","","","","1.028","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701787","23.639","0.0013","15.9622","0.0009","30.6105","0.0018","90","","112.1","0.002","90","","10701.7","1.1","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H99 Cl10 N13 O28 Zn4 -","- C99 H97 Cl10 N13 O28 Zn4 -","- C396 H388 Cl40 N52 O112 Zn16 -","4","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0945","0.0673","","","0.1603","0.1818","","","","","","1.056","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701788","22.6992","0.0005","11.2984","0.0001","23.96","0.0005","90","","114.704","0.0009","90","","5582.51","0.18","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Cd2 Cl3 N8 O17 -","- C50 H55 Cd2 Cl3 N8 O17 -","- C200 H220 Cd8 Cl12 N32 O68 -","4","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.042","0.0387","","","0.1006","0.104","","","","","","1.042","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701789","12.3738","0.0008","17.9552","0.0014","18.3514","0.0013","103.789","0.003","90.889","0.001","108.016","0.003","3747.9","0.5","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Cd2 Cl4 N10 O20 -","- C62 H56 Cd2 Cl4 N10 O20 -","- C124 H112 Cd4 Cl8 N20 O40 -","2","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0685","0.0584","","","0.1533","0.1653","","","","","","1.061","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701790","15.4421","0.0008","15.5215","0.0008","20.5748","0.001","90","","92.922","0.003","90","","4925.1","0.4","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cd Cl2 N6 O11 -","- C54 H44 Cd Cl2 N6 O11 -","- C216 H176 Cd4 Cl8 N24 O44 -","4","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.057","0.0508","","","0.1492","0.1562","","","","","","1.049","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701791","23.1074","0.0004","28.4612","0.0006","19.2564","0.0004","90","","91.475","0.0011","90","","12660.1","0.4","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H121 Cl6 N19 O31 Zn4 -","- C126 H120 Cl6 N19 O31 Zn4 -","- C504 H480 Cl24 N76 O124 Zn16 -","4","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0775","0.0695","","","0.2202","0.2282","","","","","","1.05","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701792","13.244","0.003","14.742","0.003","17.352","0.003","91.076","0.003","96.137","0.002","105.435","0.003","3243","1.1","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H53 Cl3 N6 O19 Zn2 -","- C50 H53 Cl3 N6 O19 Zn2 -","- C100 H106 Cl6 N12 O38 Zn4 -","2","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0598","0.0516","","","0.1399","0.1499","","","","","","1.065","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701793","13.614","0.003","16.137","0.003","20.661","0.004","72.534","0.005","85.863","0.006","76.622","0.006","4212.2","1.5","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H74 Br2 Cd2 Cl2 N6 O24 -","- C67 H71 Br2 Cd2 Cl2 N6 O24 -","- C134 H142 Br4 Cd4 Cl4 N12 O48 -","2","1","","Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi","Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3840","3852","10.1039/c8dt04735a","","","0.71075","MoKα","","0.0755","0.0555","","","0.1618","0.1824","","","","","","1.071","","","","has coordinates","223359","2020-10-21","18:00:00",""
"7701794","11.261","0.005","15.782","0.006","13.591","0.006","90","","113.407","0.007","90","","2216.6","1.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H18 Cl2 Cu N2 O4 -","- C17 H18 Cl2 Cu N2 O4 -","- C68 H72 Cl8 Cu4 N8 O16 -","4","0.5","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.1489","0.1406","","","0.3366","0.3431","","","","","","1.065","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701795","9.5","0.0016","10.7183","0.0017","13.594","0.002","112.424","0.002","105.362","0.002","96.032","0.003","1200.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 Cd3 Cl6 N6 O10 -","- C40 H50 Cd3 Cl6 N6 O10 -","- C40 H50 Cd3 Cl6 N6 O10 -","1","0.5","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.0862","0.0535","","","0.1557","0.2545","","","","","","1.07","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701796","14.717","0.003","10.463","0.002","14.91","0.003","90","","112.699","0.004","90","","2118.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N3 O4 Zn -","- C19 H21 Cl2 N3 O4 Zn -","- C76 H84 Cl8 N12 O16 Zn4 -","4","1","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.1352","0.0562","","","0.1482","0.1942","","","","","","1.007","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701797","10.106","0.0019","10.938","0.002","16.982","0.004","90","","93.225","0.003","90","","1874.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cd Cl2 N6 O8 -","- C38 H42 Cd Cl2 N6 O8 -","- C76 H84 Cd2 Cl4 N12 O16 -","2","0.5","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.1028","0.0525","","","0.1303","0.1528","","","","","","1.035","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701798","24.479","0.007","10.978","0.003","5.6901","0.0016","90","","90","","90","","1529.1","0.7","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.0593","0.0421","","","0.0865","0.0938","","","","","","1.049","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701799","11.15","0.003","18.158","0.005","11.986","0.003","90","","96.932","0.005","90","","2409","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H54 Cd2 Cl4 N6 O10 -","- C44 H54 Cd2 Cl4 N6 O10 -","- C88 H108 Cd4 Cl8 N12 O20 -","2","1","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.0531","0.0466","","","0.1341","0.1442","","","","","","1.088","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7701800","20.524","0.008","19.826","0.009","19.692","0.008","90","","112.541","0.015","90","","7401","5","190","","191.07","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Cu2KClN2O12Si4C48H108","","- C48 H108 Cl Cu2 K N2 O12 Si4 -","- C48 H108 Cl Cu2 K N2 O12 Si4 -","- C192 H432 Cl4 Cu8 K4 N8 O48 Si16 -","4","1","","Gompa, Thaige P.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry Storms","Synthesis of Homoleptic, Divalent Lanthanide (Sm, Eu) Complexes via Oxidative Transmetallation","Dalton Transactions","2019","","","","","10.1039/C9DT04230J","","x-ray","0.71073","MoKα","","0.1125","0.0552","","","0.128","0.1719","","","","","","1.071","","","","has coordinates,has disorder","223394","2020-10-21","18:00:00",""
"7701801","9.2019","0.0009","9.482","0.001","20.813","0.002","79.543","0.004","79.198","0.004","64.407","0.003","1598.4","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H55 N O6 Si2 -","- C24 H55 N O6 Si2 -","- C48 H110 N2 O12 Si4 -","2","1","","Gompa, Thaige P.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry Storms","Synthesis of Homoleptic, Divalent Lanthanide (Sm, Eu) Complexes via Oxidative Transmetallation","Dalton Transactions","2019","","","","","10.1039/C9DT04230J","","","0.71073","MoKα","","0.066","0.0438","","","0.1021","0.1171","","","","","","1.031","","","","has coordinates","223394","2020-10-21","18:00:00",""
"7701802","21.438","0.005","15.09","0.003","21.412","0.004","90","","111.444","0.006","90","","6447","2","107","2","106.92","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2.34 H5.27 N0.1 O0.59 Si0.2 Sm0.05 -","- C2.34146 H5.26829 N0.097561 O0.585366 Si0.195122 Sm0.0487805 -","- C192 H432 N8 O48 Si16 Sm4 -","82","20.5","","Gompa, Thaige P.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry Storms","Synthesis of Homoleptic, Divalent Lanthanide (Sm, Eu) Complexes via Oxidative Transmetallation","Dalton Transactions","2019","","","","","10.1039/C9DT04230J","","x-ray","0.71073","MoKα","","0.1395","0.0714","","","0.1099","0.136","","","","","","1.01","","","","has coordinates,has disorder","223394","2020-10-21","18:00:00",""
"7701803","21.372","0.003","15.061","0.002","21.461","0.003","90","","111.428","0.005","90","","6430.5","1.5","102.5","","102.5","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Eu","","- C32 H72 Eu0.67 N1.33 O8 Si2.67 -","- C32 H72 Eu0.666667 N1.33333 O8 Si2.66667 -","- C192 H432 Eu4 N8 O48 Si16 -","6","1.5","","Gompa, Thaige P.; Jiang, Ningxin; Bacsa, John; La Pierre, Henry Storms","Synthesis of Homoleptic, Divalent Lanthanide (Sm, Eu) Complexes via Oxidative Transmetallation","Dalton Transactions","2019","","","","","10.1039/C9DT04230J","","x-ray","0.71073","MoKα","","0.0431","0.0321","","","0.0673","0.0728","","","","","","1.034","","","","has coordinates,has disorder","223394","2020-10-21","18:00:00",""
"7701804","12.1744","0.0006","10.237","0.0005","20.9872","0.0012","90","","91.058","0.002","90","","2615.2","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H88 Eu2 N6 O2 Si8 -","- C30 H88 Eu2 N6 O2 Si8 -","- C60 H176 Eu4 N12 O4 Si16 -","2","0.5","","Li, Yangjuan; Chen, xiuting; gong, yu","Synthesis of a Dinuclear Europium (III) Complex through Deprotonation and Oxygen-Atom Transfer of Trimethylamine N-Oxide","Dalton Transactions","2019","","","","","10.1039/C9DT04234B","","","0.71073","MoKα","","0.0234","0.0197","","","0.0445","0.0465","","","","","","1.079","","","","has coordinates","223395","2020-10-21","18:00:00",""
"7701805","14.6951","0.0001","14.6951","0.0001","11.2744","0.0001","90","","90","","120","","2108.48","0.03","180","0.1","180","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C21 H63 Eu N3 O P Si6 -","- C7 H21 Eu0.333333 N O0.333333 P0.333333 Si2 -","- C42 H126 Eu2 N6 O2 P2 Si12 -","6","1","","Li, Yangjuan; Chen, xiuting; gong, yu","Synthesis of a Dinuclear Europium (III) Complex through Deprotonation and Oxygen-Atom Transfer of Trimethylamine N-Oxide","Dalton Transactions","2019","","","","","10.1039/C9DT04234B","","x-ray","1.54184","CuKα","","0.0353","0.0307","","","0.079","0.0806","","","","","","1.063","","","","has coordinates","223395","2020-10-21","18:00:00",""
"7701806","19.5336","0.0018","13.3846","0.0012","22.1579","0.0019","90","","90","","90","","5793.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H49 F5 P3 Rh -","- C26 H49 F5 P3 Rh -","- C208 H392 F40 P24 Rh8 -","8","1","","Xu, Conghui; Talavera, Maria; Sander, Stefan; Braun, Thomas","C-H and C-F bond activation reactions of pentafluorostyrene at rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16258","16267","10.1039/c9dt03371h","","","0.71073","MoKα","","0.0256","0.0199","","","0.0426","0.0446","","","","","","1.05","","","","has coordinates","223396","2020-10-21","18:00:00",""
"7701807","31.366","0.002","21.3","0.0016","25.0526","0.0019","90","","100.357","0.001","90","","16465","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C138 H97 B4 F16 Fe7 N30 O14 -","- C138 H97 B4 F16 Fe7 N30 O14 -","- C552 H388 B16 F64 Fe28 N120 O56 -","4","0.5","","Shiga, Takuya; Okawa, Natsumi; Oshio, Hiroki","A triple-triangle cluster derived from a simple tridentate ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03232K","","","0.71073","MoKα","","0.1217","0.0691","","","0.1859","0.2291","","","","","","1.027","","","","has coordinates","223397","2020-10-21","18:00:00",""
"7701808","16.1862","0.0006","17.2352","0.0005","23.7427","0.0007","97.839","0.002","91.234","0.003","105.4","0.003","6314.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Octakis[2,4-di(pyrazol-1-yl)-1,3,5-triazine]-tetrairon(II) octa-tetrafluoroborate hemi[2-(trifluoroboryl)-1H-pyrazole] acetonitrile (8/5.9) solvate","","- C85.3 H75.7 B8.5 F33.5 Fe4 N62.9 -","- C85.3 H75.7 B8.5 F33.5 Fe4 N62.9 -","- C170.6 H151.4 B17 F67 Fe8 N125.8 -","2","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0893","0.0777","","","0.2221","0.2353","","","","","","1.022","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701809","13.5601","0.0002","8.2545","0.0001","15.4017","0.0003","90","","95.121","0.001","90","","1717.06","0.05","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-[2,4-di(4-chloropyrazol-1-yl)-6H-1,3,5-triazine]-(acetonitrile)silver(I) perchlorate","","- C11 H8 Ag Cl3 N8 O4 -","- C11 H8 Ag Cl3 N8 O4 -","- C44 H32 Ag4 Cl12 N32 O16 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0322","0.0284","","","0.0737","0.0772","","","","","","1.024","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701810","8.0112","0.0002","10.5868","0.0003","16.9917","0.0003","90","","95.332","0.002","90","","1434.88","0.06","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-[2,4-di(4-chloropyrazol-1-yl)-6H-1,3,5-triazine]silver(I) perchlorate","","- C9 H5 Ag Cl3 N7 O4 -","- C9 H5 Ag Cl3 N7 O4 -","- C36 H20 Ag4 Cl12 N28 O16 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0358","0.0299","","","0.0756","0.08","","","","","","1.051","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701811","7.7857","0.0003","11.0383","0.0005","12.526","0.0005","74.006","0.004","71.927","0.004","71.187","0.004","950.11","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","[2,4-Di(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine](acetonitrile)-silver(I) perchlorate","","- C15 H18 Ag Cl N8 O4 -","- C15 H18 Ag Cl N8 O4 -","- C30 H36 Ag2 Cl2 N16 O8 -","2","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0319","0.0307","","","0.0783","0.0791","","","","","","1.101","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701812","20.8911","0.0009","27.7398","0.001","15.8143","0.0007","90","","107.315","0.005","90","","8749.3","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis-[2,4-di(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine]-tetrasilver(I) tetraperchlorate hydrate nitromethane solvate","","- C55.2 H72 Ag4 Cl4 N31.2 O23.6 -","- C55.2 H69.6 Ag4 Cl4 N31.2 O23.6 -","- C220.8 H278.4 Ag16 Cl16 N124.8 O94.4 -","4","0.5","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","0.71073","MoKα","","0.1197","0.0742","","","0.1827","0.2109","","","","","","1.038","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701813","8.1002","0.0004","11.565","0.0006","14.0754","0.0007","101.393","0.004","93.048","0.004","91.065","0.004","1290.19","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis-[4,6-di(pyrazol-1-yl)pyrimidine]-di[isothiocyanato]iron(II)","","- C22 H16 Fe N14 S2 -","- C22 H16 Fe N14 S2 -","- C44 H32 Fe2 N28 S4 -","2","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0324","0.0295","","","0.0731","0.0753","","","","","","1.018","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701814","13.9144","0.0002","13.9144","0.0002","17.8688","0.0003","90","","90","","90","","3459.59","0.09","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Tetrakis-[2,4-di(3,5-dimethylpyrazol-1-yl)-6H-1,3,5-triazine)]-tetrasilver(I) tetra-perchlorate","","- C52 H60 Ag4 Cl4 N28 O16 -","- C52 H60 Ag4 Cl4 N28 O16 -","- C104 H120 Ag8 Cl8 N56 O32 -","2","0.25","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.037","0.0358","","","0.0906","0.0919","","","","","","1.051","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701815","20.7165","0.0011","33.8226","0.0013","15.6449","0.0006","90","","131.404","0.003","90","","8222.3","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis-[2,4-di(4,5,6,7-tetrahydroindazol-2-yl)-6H-1,3,5-triazine]-tetrasilver(I) tetraperchlorate nitromethane solvate","","- C69 H79 Ag4 Cl4 N29 O18 -","- C69 H79 Ag4 Cl4 N29 O18 -","- C276 H316 Ag16 Cl16 N116 O72 -","4","0.5","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0964","0.0635","","","0.15","0.1682","","","","","","1.062","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701816","22.9855","0.0003","14.9629","0.0003","23.3614","0.0003","90","","95.028","0.001","90","","8003.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis-[2,4-di(3,5-dimethylpyrazol-1-yl)-6H-1,3,5-triazine)]-tetrasilver(I) tetra-hexafluoroantimonate nitromethane solvate","","- C53 H63 Ag4 F24 N29 O2 Sb4 -","- C53 H63 Ag4 F24 N29 O2 Sb4 -","- C212 H252 Ag16 F96 N116 O8 Sb16 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0512","0.0444","","","0.1143","0.1201","","","","","","1.044","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701817","12.9026","0.0002","14.5475","0.0002","16.1511","0.0002","90","","109.427","0.002","90","","2858.97","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[4,6-di(pyrazol-1-yl)pyrimidine]-di[isoselenocyanato]iron(II)methanol solvate","","- C23 H20 Fe N14 O Se2 -","- C23 H20 Fe N14 O Se2 -","- C92 H80 Fe4 N56 O4 Se8 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0341","0.03","","","0.076","0.0788","","","","","","1.051","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701818","17.096","0.0011","10.5273","0.0004","13.45","0.0006","90","","121.235","0.004","90","","2069.8","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-(pyrazol-1-yl)pyrimidine","","- C10 H9 N7 -","- C10 H9 N7 -","- C80 H72 N56 -","8","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","0.71073","MoKα","","0.0455","0.0403","","","0.1024","0.1061","","","","","","1.099","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701819","16.4591","0.0003","16.4591","0.0003","25.0804","0.0006","90","","90","","90","","6794.3","0.2","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Catena-[2-amino-4,6-(pyrazol-1-yl)pyrimidine]-di-isoselenocyanato iron(II)","","- C12 H9 Fe N9 Se2 -","- C12 H9 Fe N9 Se2 -","- C192 H144 Fe16 N144 Se32 -","16","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0671","0.0462","","","0.1146","0.1276","","","","","","1.012","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701820","3.9058","0.0004","16.7955","0.0015","20.5409","0.0009","90","","90","","90","","1347.48","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Bis(4-chloropyrazol-1-yl)-6H-1,3,5-triazine acetonitrile solvate","","- C11 H8 Cl2 N8 -","- C11 H8 Cl2 N8 -","- C44 H32 Cl8 N32 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0375","0.0332","","","0.0856","0.0879","","","","","","1.065","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701821","16.1912","0.0006","16.1912","0.0006","25.146","0.003","90","","90","","90","","6592.1","0.9","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Catena-[2-methyl-4,6-(pyrazol-1-yl)pyrimidine]-di-isothiocyanato iron(II)","","- C13 H10 Fe N8 S2 -","- C13 H10 Fe N8 S2 -","- C208 H160 Fe16 N128 S32 -","16","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0633","0.0558","","","0.1506","0.1565","","","","","","1.076","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701822","20.888","0.002","9.323","0.002","19.916","0.002","90","","113.519","0.013","90","","3556.2","1","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Catena-[4,6-(pyrazol-1-yl)pyrimidine]-diaquairon(II) diperchlorate","","- C10 H12 Cl2 Fe N6 O10 -","- C10 H11 Cl2 Fe N6 O10 -","- C80 H88 Cl16 Fe8 N48 O80 -","8","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.1128","0.0881","","","0.2258","0.2503","","","","","","1.036","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701823","9.3073","0.0003","11.303","0.0003","23.5856","0.0008","88.648","0.002","86.046","0.003","87.961","0.002","2473.19","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,4-Bis(4,5,6,7-tetrahydroindazol-2-yl)-6H-1,3,5-triazinedichloroform solvate","","- C19 H21 Cl6 N7 -","- C19 H21 Cl6 N7 -","- C76 H84 Cl24 N28 -","4","2","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.1008","0.0766","","","0.195","0.2201","","","","","","1.029","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701824","16.0404","0.0002","16.0404","0.0002","25.1086","0.0003","90","","90","","90","","6460.3","0.14","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Catena-[2-amino-4,6-(pyrazol-1-yl)pyrimidine]-di-isothiocyanato iron(II)","","- C12 H9 Fe N9 S2 -","- C12 H9 Fe N9 S2 -","- C192 H144 Fe16 N144 S32 -","16","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","0.6889","synchrotron","","0.1067","0.0558","","","0.1533","0.1753","","","","","","0.904","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701825","12.6992","0.0007","14.4699","0.0006","16.2226","0.0009","90","","108.645","0.006","90","","2824.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[4,6-di(pyrazol-1-yl)pyrimidine]-di[isoselenocyanato]iron(II)hemi-ethanol solvate","","- C23 H19 Fe N14 O0.5 Se2 -","- C23 H19 Fe N14 O0.5 Se2 -","- C92 H76 Fe4 N56 O2 Se8 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.041","0.0322","","","0.0727","0.0773","","","","","","1.03","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701826","13.1916","0.0003","14.3276","0.0003","15.8098","0.0004","90","","110.841","0.002","90","","2792.61","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[4,6-di(pyrazol-1-yl)pyrimidine]-di[isothiocyanato]iron(II)methanol solvate","","- C23 H20 Fe N14 O S2 -","- C23 H20 Fe N14 O S2 -","- C92 H80 Fe4 N56 O4 S8 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0448","0.0375","","","0.0958","0.1007","","","","","","1.027","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701827","8.1773","0.0004","12.1684","0.0006","14.1965","0.0008","77.437","0.004","83.062","0.004","89.966","0.004","1368.22","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis-[2-methyl-4,6-(pyrazol-1-yl)pyrimidine]-di-isoselenocyanato iron(II)","","- C24 H20 Fe N14 Se2 -","- C24 H20 Fe N14 Se2 -","- C48 H40 Fe2 N28 Se4 -","2","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0474","0.042","","","0.1119","0.1173","","","","","","1.032","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701828","12.7269","0.0005","14.644","0.0006","16.1908","0.0007","90","","109.447","0.004","90","","2845.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[4,6-di(pyrazol-1-yl)pyrimidine]-di[isoselenocyanato]iron(II)hemi-acetone solvate","","- C23.5 H19 Fe N14 O0.5 Se2 -","- C23.5 H19 Fe N14 O0.5 Se2 -","- C94 H76 Fe4 N56 O2 Se8 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.068","0.0489","","","0.122","0.1356","","","","","","1.024","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7701829","19.2595","0.0003","20.562","0.0004","24.302","0.0004","70.5393","0.0015","77.3014","0.0014","74.352","0.0015","8647.8","0.3","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H63 Cl2 F4 Fe N4 O4.5 -","- C49 H38 Cl2 F4 Fe N4 O2 -","- C294 H228 Cl12 F24 Fe6 N24 O12 -","6","3","","Zhang, Randi; Han, Mingyang; Ma, Yanping; Solan, Gregory; tongling, liang; Sun, Wen Hua","Steric and electronic modulation of an iron catalyst as a route to remarkably high molecular weight linear polyethylene","Dalton Transactions","2019","","","","","10.1039/C9DT03880A","","x-ray","0.71073","MoKα","","0.1098","0.0589","","","0.1108","0.1305","","","","","","0.964","","","","has coordinates","223437","2020-10-21","18:00:00",""
"7701830","9.4704","0.0002","34.5955","0.0004","14.0129","0.0002","90","","107.01","0.002","90","","4390.25","0.13","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H42 Cl2 F4 Fe N4 O2 -","- C51 H42 Cl2 F4 Fe N4 O2 -","- C204 H168 Cl8 F16 Fe4 N16 O8 -","4","1","","Zhang, Randi; Han, Mingyang; Ma, Yanping; Solan, Gregory; tongling, liang; Sun, Wen Hua","Steric and electronic modulation of an iron catalyst as a route to remarkably high molecular weight linear polyethylene","Dalton Transactions","2019","","","","","10.1039/C9DT03880A","","","0.71073","MoKα","","0.0587","0.0413","","","0.0907","0.0984","","","","","","1.016","","","","has coordinates","223437","2020-10-21","18:00:00",""
"7701831","10.036","0.0007","18.353","0.0014","18.4828","0.0013","90","","90","","90","","3404.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H56 Mg N4 Si4 -","- C23 H56 Mg N4 Si4 -","- C92 H224 Mg4 N16 Si16 -","4","1","","Freeman, Lucas; Walley, Jacob; Dickie, Diane Amanda; Gilliard, Robert J.","Low-Nuclearity Magnesium Hydride Complexes Stabilized by N-Heterocyclic Carbenes","Dalton Transactions","2019","","","","","10.1039/C9DT03915E","","","0.71073","MoKα","","0.0365","0.0308","","","0.0787","0.0826","","","","","","1.051","","","","has coordinates","223438","2020-10-21","18:00:00",""
"7701832","11.5402","0.0009","16.7067","0.0013","20.9436","0.0017","90","","98.891","0.002","90","","3989.4","0.5","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H64 Mg2 N4 Si8 -","- C24 H64 Mg2 N4 Si8 -","- C96 H256 Mg8 N16 Si32 -","4","1","","Freeman, Lucas; Walley, Jacob; Dickie, Diane Amanda; Gilliard, Robert J.","Low-Nuclearity Magnesium Hydride Complexes Stabilized by N-Heterocyclic Carbenes","Dalton Transactions","2019","","","","","10.1039/C9DT03915E","","","0.71073","MoKα","","0.0576","0.0441","","","0.0995","0.1065","","","","","","1.133","","","","has coordinates","223438","2020-10-21","18:00:00",""
"7701833","15.893","0.0012","12.1252","0.001","17.9168","0.0013","90","","113.009","0.002","90","","3178","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 Mg N4 Si4 -","- C23 H52 Mg N4 Si4 -","- C92 H208 Mg4 N16 Si16 -","4","1","","Freeman, Lucas; Walley, Jacob; Dickie, Diane Amanda; Gilliard, Robert J.","Low-Nuclearity Magnesium Hydride Complexes Stabilized by N-Heterocyclic Carbenes","Dalton Transactions","2019","","","","","10.1039/C9DT03915E","","","0.71073","MoKα","","0.0386","0.0287","","","0.0718","0.0774","","","","","","1.044","","","","has coordinates,has disorder","223438","2020-10-21","18:00:00",""
"7701834","11.699","0.002","12.225","0.002","18.044","0.003","103.803","0.006","102.534","0.006","99.63","0.006","2380.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H78 Mg2 N6 Si4 -","- C34 H78 Mg2 N6 Si4 -","- C68 H156 Mg4 N12 Si8 -","2","1","","Freeman, Lucas; Walley, Jacob; Dickie, Diane Amanda; Gilliard, Robert J.","Low-Nuclearity Magnesium Hydride Complexes Stabilized by N-Heterocyclic Carbenes","Dalton Transactions","2019","","","","","10.1039/C9DT03915E","","","0.71073","MoKα","","0.0834","0.0443","","","0.0972","0.1148","","","","","","1.009","","","","has coordinates","223438","2020-10-21","18:00:00",""
"7701835","12.0227","0.0015","20.662","0.003","20.675","0.003","67.026","0.004","79.336","0.004","79.418","0.004","4611.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H148 Mg4 N12 Si8 -","- C68 H148 Mg4 N12 Si8 -","- C136 H296 Mg8 N24 Si16 -","2","1","","Freeman, Lucas; Walley, Jacob; Dickie, Diane Amanda; Gilliard, Robert J.","Low-Nuclearity Magnesium Hydride Complexes Stabilized by N-Heterocyclic Carbenes","Dalton Transactions","2019","","","","","10.1039/C9DT03915E","","","0.71073","MoKα","","0.0937","0.0544","","","0.1284","0.1508","","","","","","1.022","","","","has coordinates,has disorder","223438","2020-10-21","18:00:00",""
"7701836","8.1561","0.0002","30.3997","0.0007","14.3424","0.0003","90","","93.997","0.002","90","","3547.45","0.14","289","0.1","289","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tBu-PBP-Pd-Cl","","- C28 H53 B Cl3 N2 P2 Pd -","- C28 H53 B Cl3 N2 P2 Pd -","- C112 H212 B4 Cl12 N8 P8 Pd4 -","4","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","0.71073","MoKα","","0.0824","0.0605","","","0.1235","0.1326","","","","","","1.128","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701837","12.2561","0.0003","16.6838","0.0003","14.5569","0.0003","90","","105.454","0.002","90","","2868.95","0.11","294.5","0.6","294.5","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tBu-PBP-Pd-N3","","- C24 H44 B N5 P2 Pd -","- C24 H44 B N5 P2 Pd -","- C96 H176 B4 N20 P8 Pd4 -","4","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.035","0.0318","","","0.0813","0.0841","","","","","","1.063","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701838","7.946","0.0002","16.547","0.0004","23.1657","0.0006","71.489","0.002","86.395","0.002","86.289","0.002","2879.36","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","tBu-PBP-Pd-NCS","","- C25 H44 B N3 P2 Pd S -","- C25 H44 B N3 P2 Pd S -","- C100 H176 B4 N12 P8 Pd4 S4 -","4","2","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0489","0.0353","","","0.0889","0.0952","","","","","","1.135","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701839","16.8528","0.0002","16.7026","0.0002","21.595","0.0002","90","","100.309","0.001","90","","5980.55","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","tBu-PBP-Pd-NCSe","","- C25 H44 B N3 P2 Pd Se -","- C25 H44 B N3 P2 Pd Se -","- C200 H352 B8 N24 P16 Pd8 Se8 -","8","2","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0355","0.0349","","","0.0971","0.0979","","","","","","1.062","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701840","8.4289","0.0002","11.8643","0.0003","13.282","0.0004","99.726","0.002","95.763","0.002","102.906","0.002","1262.82","0.06","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","tBu-POCOP-Pd-N3","","- C22 H39 N3 O2 P2 Pd -","- C22 H39 N3 O2 P2 Pd -","- C44 H78 N6 O4 P4 Pd2 -","2","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0271","0.0253","","","0.0612","0.062","","","","","","1.067","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701841","15.2903","0.0003","17.5028","0.0003","15.0487","0.0003","90","","107.062","0.002","90","","3850.13","0.13","170","0.1","170","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tBu-PBP-Pd-SH","","- C36 H57 B N2 P2 Pd S -","- C36 H57 B N2 P2 Pd S -","- C144 H228 B4 N8 P8 Pd4 S4 -","4","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0544","0.046","","","0.1216","0.1278","","","","","","1.024","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701842","25.0749","0.0003","8.1279","0.0001","26.3766","0.0004","90","","103.032","0.001","90","","5237.26","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","tBu-POCOP-Pd-NCS","","- C23 H39 N O2 P2 Pd S -","- C23 H39 N O2 P2 Pd S -","- C184 H312 N8 O16 P16 Pd8 S8 -","8","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0361","0.0305","","","0.0747","0.0774","","","","","","1.146","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701843","25.191","0.0003","8.172","0.0001","26.5788","0.0004","90","","103.098","0.002","90","","5329.19","0.13","169.99","0.1","169.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","tBu-POCOP-Pd-NCSe","","- C23 H39 N O2 P2 Pd Se -","- C23 H39 N O2 P2 Pd Se -","- C184 H312 N8 O16 P16 Pd8 Se8 -","8","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0308","0.0285","","","0.0734","0.0747","","","","","","1.07","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701844","12.07097","0.00016","14.5114","0.0002","32.0399","0.0005","90","","90","","90","","5612.32","0.14","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H47.03 B1.76 Cl0.24 N2 P2 Pd -","- C24 H47.024 B1.756 Cl0.244 N2 P2 Pd -","- C192 H376.192 B14.048 Cl1.952 N16 P16 Pd8 -","8","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0431","0.0308","","","0.0747","0.0835","","","","","","1.062","","","","has coordinates,has disorder","225379","2020-10-21","18:00:00",""
"7701845","4.26786","0.0001","4.26786","0.0001","13.2824","0.0003","90","","90","","90","","241.934","0.01","298","2","298","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cr Cs Li S2 -","- Cr Cs Li S2 -","- Cr2 Cs2 Li2 S4 -","2","0.0625","","Sun, Xiaoning; Song, Yangpeng; Deng, Jun; Jin, Shifeng; Chen, Xiaolong","New layered chromium chalcogenides CsLiCrSe2, RbLiCrS2 and CsLiCrS2: structure and properties","Dalton Transactions","2019","","","","","10.1039/C9DT03657A","powder diffraction","","1.5418","CuKα","","","","","","","","","11.3043","1.65","","","","","","","has coordinates","225380","2020-10-21","18:00:00",""
"7701846","4.4185","0.0002","4.4185","0.0002","13.8002","0.0007","90","","90","","90","","269.42","0.02","298","","298","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cr Cs Li Se2 -","- Cr Cs Li Se2 -","- Cr2 Cs2 Li2 Se4 -","2","0.0625","","Sun, Xiaoning; Song, Yangpeng; Deng, Jun; Jin, Shifeng; Chen, Xiaolong","New layered chromium chalcogenides CsLiCrSe2, RbLiCrS2 and CsLiCrS2: structure and properties","Dalton Transactions","2019","","","","","10.1039/C9DT03657A","powder diffraction","","1.5418","CuKα","","","","","","","","","10.8885","1.65","","","","","","","has coordinates","225380","2020-10-21","18:00:00",""
"7701847","4.18","0.0002","4.18","0.0002","12.9501","0.0008","90","","90","","90","","226.27","0.02","298","","298","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cr Li Rb S2 -","- Cr Li Rb S2 -","- Cr2 Li2 Rb2 S4 -","2","0.0625","","Sun, Xiaoning; Song, Yangpeng; Deng, Jun; Jin, Shifeng; Chen, Xiaolong","New layered chromium chalcogenides CsLiCrSe2, RbLiCrS2 and CsLiCrS2: structure and properties","Dalton Transactions","2019","","","","","10.1039/C9DT03657A","powder diffraction","","1.5418","CuKα","","","","","","","","","16.6951","1.54","","","","","","","has coordinates","225380","2020-10-21","18:00:00",""
"7701848","43.067","0.008","9.3233","0.0018","15.204","0.003","90","","90","","90","","6105","2","100","2","100","2","","","101.3","","","","","6","P b c n","-P 2n 2ab","60","","cis-bis(N,N-diethyl-N?-1-naphthoylthioureato-S,O)palladium(II)","","- C32 H34 N4 O2 Pd S2 -","- C32 H34 N4 O2 Pd S2 -","- C256 H272 N32 O16 Pd8 S16 -","8","1","","Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R.","Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution.","Dalton Transactions","2019","","","","","10.1039/C9DT03672E","","x-ray","0.71073","MoKα","","0.0798","0.049","","","0.095","0.1044","","","","","","1.04","","","","has coordinates","225381","2020-10-21","18:00:00",""
"7701849","12.471","0.003","7.397","0.002","15.924","0.005","90","","92.975","0.004","90","","1467","0.7","296","2","296","2","","","101.3","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(N,N-diethyl-N?-1-naphthoylthioureato-S,N)palladium(II)","","- C32 H34 N4 O2 Pd S2 -","- C32 H34 N4 O2 Pd S2 -","- C64 H68 N8 O4 Pd2 S4 -","2","0.5","","Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R.","Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution.","Dalton Transactions","2019","","","","","10.1039/C9DT03672E","","x-ray","0.71073","MoKα","","0.05","0.0382","","","0.0764","0.0817","","","","","","1.03","","","","has coordinates","225381","2020-10-21","18:00:00",""
"7701850","11.6405","0.0015","8.444","0.0011","14.7953","0.0019","90","","96.132","0.002","90","","1445.9","0.3","100","2","100","2","","","101.3","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(N,N-diethyl-N?-1-naphthoylthioureato)palladium(II)","","- C32 H34 N4 O2 Pd S2 -","- C32 H34 N4 O2 Pd S2 -","- C64 H68 N8 O4 Pd2 S4 -","2","0.5","","Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R.","Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution.","Dalton Transactions","2019","","","","","10.1039/C9DT03672E","","x-ray","0.71073","MoKα","","0.0286","0.0235","","","0.0603","0.0629","","","","","","1.071","","","","has coordinates,has disorder","225381","2020-10-21","18:00:00",""
"7701853","17.6129","0.0006","20.4536","0.0005","20.3947","0.0007","90","","90","","90","","7347.1","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H57 Mo18 N8 O59 Sb3 -","- C25 H52 Mo18 N8 O59 Sb3 -","- C100 H208 Mo72 N32 O236 Sb12 -","4","0.5","","yu, fang; Xu, Li","Highly efficient MoIV3•••SbIII cluster frustrated Lewis pair hydrogenation","Dalton Transactions","2019","","","","","10.1039/C9DT04138A","","","0.71073","MoKα","","0.0712","0.0441","","","0.0888","0.0986","","","","","","1.265","","","","has coordinates","225383","2020-10-21","18:00:00",""
"7701854","20.7451","0.0002","9.9817","0.0001","17.2999","0.0002","90","","97.229","0.001","90","","3553.84","0.06","110","0.1","110","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H34 F9 P3 Ru -","- C39 H34 F9 P3 Ru -","- C156 H136 F36 P12 Ru4 -","4","1","","Hall, Lewis; Milner, Lucy; Hart, Sam; Whitwood, Adrian Charles; Lynam, Jason Martin; Slattery, John M.","Solvent- and anion-dependent rearrangement of fluorinated carbene ligands provides access to fluorinated alkenes","Dalton Transactions","2019","","","","","10.1039/C9DT04307A","","x-ray","0.71073","MoKα","","0.0198","0.0191","","","0.0451","0.0455","","","","","","1.033","","","","has coordinates","225406","2020-10-21","18:00:00",""
"7701855","12.4924","0.0002","15.7881","0.0002","17.8372","0.0003","90","","97.0299","0.0014","90","","3491.61","0.09","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34.25 F6.53 P2.28 Ru Si0.73 -","- C39 H34.25 F6.52 P2.27 Ru Si0.73 -","- C156 H137 F26.08 P9.08 Ru4 Si2.92 -","4","1","","Hall, Lewis; Milner, Lucy; Hart, Sam; Whitwood, Adrian Charles; Lynam, Jason Martin; Slattery, John M.","Solvent- and anion-dependent rearrangement of fluorinated carbene ligands provides access to fluorinated alkenes","Dalton Transactions","2019","","","","","10.1039/C9DT04307A","","x-ray","1.54184","CuKα","","0.0412","0.0358","","","0.0932","0.0982","","","","","","1.037","","","","has coordinates,has disorder","225406","2020-10-21","18:00:00",""
"7701856","6.991","0.003","15.91","0.007","9.698","0.004","90","","90","","90","","1078.7","0.8","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba3 Ga I S4 -","- Ba3 Ga I S4 -","- Ba12 Ga4 I4 S16 -","4","0.25","","Li, Meng-Yue; zhang, yu xiao; Lin, Hua; Ma, Zuju; Wu, Xintao; Zhu, Qi-Long","Combined experimental and theoretical investigations of Ba3GaS4I: interesting structure transformation originated from the halogen substitution","Dalton Transactions","2019","","","","","10.1039/C9DT04033A","","","0.71073","MoKα","","0.0165","0.0153","","","0.0312","0.0316","","","","","","1.151","","","","has coordinates","225407","2020-10-21","18:00:00",""
"7701857","7.1388","0.0002","12.1065","0.0002","11.9952","0.0003","90","","91.301","0.002","90","","1036.43","0.04","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 As Cl2 Sn0.5 -","- C6 H15 As Cl2 Sn0.5 -","- C24 H60 As4 Cl8 Sn2 -","4","1","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","x-ray","0.71073","MoKα","","0.0296","0.0195","","","0.0358","0.0379","","","","","","1.019","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701858","12.0116","0.0004","12.9896","0.0005","12.1849","0.0003","90","","101.72","0.003","90","","1861.52","0.11","100","0.3","100","0.3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Cl3 F3 O3 P2 S Sn -","- C7 H18 Cl3 F3 O3 P2 S Sn -","- C28 H72 Cl12 F12 O12 P8 S4 Sn4 -","4","1","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","x-ray","0.71073","MoKα","","0.0762","0.0512","","","0.1313","0.1516","","","","","","0.966","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701859","11.6759","0.0003","10.3481","0.0002","19.4678","0.0005","90","","92.168","0.003","90","","2350.48","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 As2 Cl6 Sn -","- C12 H30 As2 Cl6 Sn -","- C48 H120 As8 Cl24 Sn4 -","4","1","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","x-ray","0.71073","MoKα","","0.0412","0.034","","","0.1191","0.1248","","","","","","0.922","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701860","13.21","0.0001","13.7783","0.0001","13.2995","0.0002","90","","90","","90","","2420.66","0.04","100","","100","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C13 H30 As2 Cl3 F3 O3 S Sn -","- C13 H30 As2 Cl3 F3 O3 S Sn -","- C52 H120 As8 Cl12 F12 O12 S4 Sn4 -","4","1","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","x-ray","0.71073","MoKα","","0.0218","0.0199","","","0.042","0.0424","","","","","","1.059","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701861","13.825","0.0002","11.0254","0.0002","14.4329","0.0002","90","","90","","90","","2199.95","0.06","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H30 As2 Br4 Sn -","- C12 H30 As2 Br4 Sn -","- C48 H120 As8 Br16 Sn4 -","4","0.5","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","","0.71073","MoKα","","0.0441","0.0358","","","0.1101","0.1159","","","","","","0.938","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701862","14.9","0.0003","25.4564","0.0003","20.3339","0.0004","90","","99.56","0.002","90","","7605.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H45 Al2 Cl10 P3 Sn -","- C18 H45 Al2 Cl10 P3 Sn -","- C144 H360 Al16 Cl80 P24 Sn8 -","8","2","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","x-ray","0.71073","MoKα","","0.0889","0.0567","","","0.1356","0.1536","","","","","","1.043","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701863","16.183","0.0007","10.8556","0.0005","21.0205","0.0008","90","","123.025","0.003","90","","3096.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Cl P Rh S2 Si -","- C32 H31 Cl P Rh S2 Si -","- C128 H124 Cl4 P4 Rh4 S8 Si4 -","4","1","","Almenara, Naroa; Miranda, José Ignacio; Rodríguez Diéguez, Antonio; Garralda, Maria Angeles; Huertos, Miguel A. A.","Phosphine-Stabilized Silylene Rhodium Complex","Dalton Transactions","2019","","","","","10.1039/C9DT04071D","","","0.71073","MoKα","","0.0549","0.0464","","","0.121","0.1318","","","","","","1.173","","","","has coordinates","225612","2020-10-21","18:00:00",""
"7701864","16.3865","0.0005","9.30665","0.00016","15.4932","0.0004","90","","114.249","0.003","90","","2154.3","0.11","293.11","0.1","293.11","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl4 Mn N4 -","- C14 H26 Cl4 Mn N4 -","- C56 H104 Cl16 Mn4 N16 -","4","1","","Deng, Yuandan; Dong, Xuehua; Yang, Meng; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Two low-dimensional metal halides: ionothermal synthesis, photoluminescence, and nonlinear optical properties","Dalton Transactions","2019","","","","","10.1039/C9DT04102H","","x-ray","1.54184","CuKα","","0.0604","0.0531","","","0.1435","0.1535","","","","","","1.023","","","","has coordinates","227627","2020-10-21","18:00:00",""
"7701865","8.19366","0.00013","9.78266","0.00016","15.4593","0.0004","90","","90","","90","","1239.15","0.04","295.11","0.1","295.11","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br3 N2 Pb -","- C6 H11 Br3 N2 Pb -","- C24 H44 Br12 N8 Pb4 -","4","1","","Deng, Yuandan; Dong, Xuehua; Yang, Meng; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Two low-dimensional metal halides: ionothermal synthesis, photoluminescence, and nonlinear optical properties","Dalton Transactions","2019","","","","","10.1039/C9DT04102H","","x-ray","1.54184","CuKα","","0.0554","0.0547","","","0.1339","0.1351","","","","","","1.122","","","","has coordinates","227627","2020-10-21","18:00:00",""
"7701866","11.6229","0.0004","17.2516","0.0004","13.2057","0.0004","90","","90","","90","","2647.92","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl2 Hg N O2 P S -","- C6 H14 Cl2 Hg N O2 P S -","- C48 H112 Cl16 Hg8 N8 O16 P8 S8 -","8","1","","Torabi, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel; Shchegravina, Ekaterina S.","The First Coordination Polymers with an [O]2[N]P(S)-Hg Segment: A Combined Experimental, Theoretical and Database Study of Covalent Bonds and Non-covalent Interactions","Dalton Transactions","2019","","","","","10.1039/C9DT03546J","","x-ray","0.71073","MoKα","","0.0812","0.0556","","","0.089","0.0957","","","","","","1.176","","","","has coordinates","227629","2020-10-21","18:00:00",""
"7701867","7.5816","0.0003","7.6514","0.0004","12.7568","0.0005","101.717","0.004","104.651","0.004","102.378","0.004","672.9","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C7 H13 Cl2 Hg N O2 P S -","- C7 H13 Cl2 Hg N O2 P S -","- C14 H26 Cl4 Hg2 N2 O4 P2 S2 -","2","1","","Torabi, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel; Shchegravina, Ekaterina S.","The First Coordination Polymers with an [O]2[N]P(S)-Hg Segment: A Combined Experimental, Theoretical and Database Study of Covalent Bonds and Non-covalent Interactions","Dalton Transactions","2019","","","","","10.1039/C9DT03546J","","x-ray","0.71073","MoKα","","0.0592","0.0347","","","0.0497","0.0572","","","","","","1.007","","","","has coordinates","227629","2020-10-21","18:00:00",""
"7701868","21.2731","0.0007","12.7309","0.0004","19.7955","0.0007","90","","117.563","0.001","90","","4752.7","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Cl6 F2 P2 Ru -","- C50 H42 Cl6 F2 P2 Ru -","- C200 H168 Cl24 F8 P8 Ru4 -","4","1","","Torabi, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel; Shchegravina, Ekaterina S.","The First Coordination Polymers with an [O]2[N]P(S)-Hg Segment: A Combined Experimental, Theoretical and Database Study of Covalent Bonds and Non-covalent Interactions","Dalton Transactions","2019","","","","","10.1039/C9DT03546J","","","0.71073","Mo","","0.0801","0.0718","","","0.1794","0.1856","","","","","","1.114","","","","has coordinates","227629","2020-10-21","18:00:00",""
"7701869","6.8432","0.0005","18.8678","0.0013","10.6835","0.0006","90","","126.782","0.004","90","","1104.8","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cu O9 -","- C9 H10 Cu O9 -","- C36 H40 Cu4 O36 -","4","1","","Rauf, Abdul; Ye, Junwei; Zhang, Siqi; Qi, Ye; Wang, Guangyao; Che, Ying; Ning, Guiling","Copper(II)-based coordination polymer nanofibers as highly effective antibacterial material with synergistic mechanism","Dalton Transactions","2019","","","","","10.1039/C9DT03649K","","","0.71073","MoKα","","0.0544","0.0372","","","0.102","0.1193","","","","","","1.017","","","","has coordinates","227631","2020-10-21","18:00:00",""
"7701870","11.151","0.003","11.518","0.003","17.444","0.005","92.543","0.003","108.567","0.003","112.376","0.003","1928.6","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","dinuclear W(V) oxo complex","","- C28 H58 N2 O4 S7 W2 -","- C28 H58 N2 O2 S7 W2 -","- C56 H116 N4 O4 S14 W4 -","2","1","","Seo, Junhyeok; Shearer, Jason; Williard, Paul G.; Kim, Eunsuk","Reactivity of a Biomimetic W(IV) Bis-Dithiolene Complex with CO2 Leading to Formate Production and Structural Rearrangement","Dalton Transactions","2019","","","","","10.1039/C9DT03906F","","","0.71073","","","0.0978","0.0867","","","0.2256","0.2399","","","","","","1.03","","","","has coordinates","227633","2020-10-21","18:00:00",""
"7701873","8.8843","0.0004","14.8928","0.0005","10.1346","0.0004","90","","111.485","0.005","90","","1247.75","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl2 Cu N2 O3 -","- C9 H12 Cl2 Cu N2 O3 -","- C36 H48 Cl8 Cu4 N8 O12 -","4","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.0554","0.0388","","","0.0795","0.0868","","","","","","1.047","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701874","8.81004","0.0002","8.81004","0.0002","48.3804","0.0014","90","","90","","90","","3755.13","0.16","297","2","297.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H32 Cl4 Cu4 N4 O6 -","- C30 H32 Cl4 Cu4 N4 O6 -","- C120 H128 Cl16 Cu16 N16 O24 -","4","0.5","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.0748","0.0604","","","0.1288","0.1353","","","","","","1.196","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701875","10.6181","0.0005","4.0692","0.0002","19.2298","0.0009","90","","95.417","0.004","90","","827.15","0.07","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Cu2 N2 O4 -","- C14 H16 Cl2 Cu2 N2 O4 -","- C28 H32 Cl4 Cu4 N4 O8 -","2","0.5","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.0617","0.044","","","0.0985","0.1089","","","","","","1.086","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701876","8.6356","0.0003","9.5813","0.0003","13.5642","0.0004","90","","106.101","0.003","90","","1078.28","0.06","297.15","","297.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cu N3 O3 -","- C10 H9 Cu N3 O3 -","- C40 H36 Cu4 N12 O12 -","4","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","","0.71073","MoKα","","0.0479","0.0342","","","0.0776","0.0861","","","","","","1.06","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701877","7.5026","0.0008","7.5541","0.0009","8.0228","0.001","98.797","0.01","110.504","0.011","109.976","0.01","380.59","0.1","297","2","297.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu N2 O2 -","- C14 H14 Cl2 Cu N2 O2 -","- C14 H14 Cl2 Cu N2 O2 -","1","0.5","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","","0.71073","MoKα","","0.0476","0.0352","","","0.0733","0.0792","","","","","","1.074","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701878","8.0134","0.0006","8.764","0.0007","13.5581","0.001","71.195","0.007","80.719","0.006","66.268","0.008","824.58","0.12","297","2","297.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl2 Cu N3 O4 -","- C13 H19 Cl2 Cu N3 O4 -","- C26 H38 Cl4 Cu2 N6 O8 -","2","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","","0.71073","MoKα","","0.0523","0.0372","","","0.0778","0.0883","","","","","","1.069","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701879","7.4821","0.0004","18.0234","0.0007","7.8559","0.0003","90","","98.848","0.005","90","","1046.78","0.08","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cu N5 O2 -","- C9 H9 Cu N5 O2 -","- C36 H36 Cu4 N20 O8 -","4","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.1005","0.0544","","","0.0864","0.1035","","","","","","1.018","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701880","7.9027","0.0015","8.1307","0.0016","8.3402","0.0018","103.091","0.017","111.393","0.018","107.507","0.017","440.4","0.2","297","2","297.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 Cu2 N2 O2 -","- C14 H14 Cl4 Cu2 N2 O2 -","- C14 H14 Cl4 Cu2 N2 O2 -","1","0.5","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","","0.71073","MoKα","","0.0593","0.043","","","0.0889","0.0997","","","","","","1.036","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701881","7.9634","0.0008","9.7573","0.0007","13.5662","0.001","90","","103.354","0.009","90","","1025.61","0.15","297","2","297.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl Cu N2 O2 -","- C9 H9 Cl Cu N2 O2 -","- C36 H36 Cl4 Cu4 N8 O8 -","4","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.046","0.035","","","0.076","0.0823","","","","","","1.014","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701882","7.873","0.0003","14.0579","0.0006","12.7811","0.0005","90","","93.857","0.004","90","","1411.38","0.1","297","2","297.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cu N3 O3 S -","- C11 H13 Cu N3 O3 S -","- C44 H52 Cu4 N12 O12 S4 -","4","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","","0.71073","MoKα","","0.0658","0.0429","","","0.094","0.1089","","","","","","1.048","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701883","8.6172","0.0003","9.2484","0.0003","14.1381","0.0005","90","","107.055","0.004","90","","1077.19","0.07","297.15","","297.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cu N5 O2 -","- C9 H9 Cu N5 O2 -","- C36 H36 Cu4 N20 O8 -","4","1","","Alvarez-Miguel, Lucia; Álvarez-Miguel, Ines; Martín Álvarez, Jose Miguel; Alvarez, Celedonio M.; Rogez, Guillaume; García-Rodríguez, Raúl; Miguel, Daniel","Copper complexes for the promotion of iminopyridine ligands derived from β-alanine and self-aldol additions: Relaxivity and cytotoxic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03822A","","x-ray","0.71073","MoKα","","0.0448","0.0317","","","0.068","0.0756","","","","","","1.086","","","","has coordinates","227637","2020-10-21","18:00:00",""
"7701893","23.8474","0.0012","9.3378","0.0005","18.26","0.0016","90","","126.447","0.0011","90","","3270.9","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ce N13 O13 -","- C24 H26 Ce N13 O13 -","- C96 H104 Ce4 N52 O52 -","4","0.5","","Lin, Lixia; Lu, Liping; Du, Ran; Yuan, Caixia; Zhu, Miaoli; Fu, Xueqi; Xing, Shu","A Ce(III) complex potently inhibits the activity and expression of tyrosine phosphatase SHP-2","Dalton Transactions","2019","","","","","10.1039/C9DT03200B","","","0.71073","MoKα","","0.0582","0.039","","","0.0534","0.0575","","","","","","1.036","","","","has coordinates","227753","2020-10-21","18:00:00",""
"7701941","6.8255","0.0005","8.4378","0.0006","21.0383","0.0015","92.891","0.002","94.362","0.002","102.096","0.002","1178.57","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Ag N5 O6 -","- C24 H24 Ag N5 O6 -","- C48 H48 Ag2 N10 O12 -","2","1","","Mandal, Rajorshi; Garai, Abhijit; Biradha, Kumar","Solid or Gel? Which one Works Better for [2+2] Photochemical Polymerization in Pyridine Appended Flexible Phenylene 1,4-bis-olefins by Ag…Ag Interactions","Dalton Transactions","2019","","","","","10.1039/C9DT04304G","","","0.71073","MoKα","","0.0526","0.0395","","","0.0881","0.0968","","","","","","0.882","","","","has coordinates","227857","2020-10-21","18:00:00",""
"7701942","12.0899","0.0008","13.7717","0.0009","23.2339","0.0015","96.2","0.002","98.497","0.002","97.394","0.002","3762.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H72 Ag3 N15 O18 -","- C72 H64 Ag3 N14 O13 -","- C144 H128 Ag6 N28 O26 -","2","1","","Mandal, Rajorshi; Garai, Abhijit; Biradha, Kumar","Solid or Gel? Which one Works Better for [2+2] Photochemical Polymerization in Pyridine Appended Flexible Phenylene 1,4-bis-olefins by Ag…Ag Interactions","Dalton Transactions","2019","","","","","10.1039/C9DT04304G","","","0.71073","MoKα","","0.1009","0.058","","","0.1768","0.2215","","","","","","0.823","","","","has coordinates","227857","2020-10-21","18:00:00",""
"7701943","11.0839","0.0006","16.4996","0.001","7.0477","0.0004","90","","101.834","0.005","90","","1261.49","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C52 H44 N4 O24 Zn4 -","4","1","","Li, Bo; Dong, Jian-Peng; Shi, Zhen-Zhen; Wang, Liya","Synthesis of a novel 2D zinc (II)‒organic framework for photocatalytic degradation of organic dyes in water","Dalton Transactions","2019","","","","","10.1039/C9DT03727F","","","0.71073","MoKα","","0.0695","0.0632","","","0.2446","0.2511","","","","","","1.089","","","","has coordinates","227858","2020-10-21","18:00:00",""
"7701944","10.2731","0.0004","10.1827","0.0004","6.4354","0.0003","90","","90","","90","","673.19","0.05","293","","293","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd Eu Ge S4 -","- Cd Eu Ge S4 -","- Cd4 Eu4 Ge4 S16 -","4","0.5","","Xing, Wen-Hao; Wang, Naizheng; Guo, Yangwu; Li, Zhuang; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Lin, Zheshuai; Yao, Jiyong; Bin, Kang","Two rare-earth-based quaternary chalcogenides EuCdGeQ4 (Q = S, Se) with strong second-harmonic generation","Dalton Transactions","2019","","","","","10.1039/C9DT03755A","","","0.71073","MoKα","","0.0223","0.0214","","","0.047","0.0474","","","","","","1.125","","","","has coordinates","227928","2020-10-21","18:00:00",""
"7701945","10.7525","0.0008","10.6275","0.0008","6.674","0.0005","90","","90","","90","","762.65","0.1","293","","293","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd Eu Ge Se4 -","- Cd Eu Ge Se4 -","- Cd4 Eu4 Ge4 Se16 -","4","0.5","","Xing, Wen-Hao; Wang, Naizheng; Guo, Yangwu; Li, Zhuang; Tang, Jian; Kang, Kaijin; Yin, Wenlong; Lin, Zheshuai; Yao, Jiyong; Bin, Kang","Two rare-earth-based quaternary chalcogenides EuCdGeQ4 (Q = S, Se) with strong second-harmonic generation","Dalton Transactions","2019","","","","","10.1039/C9DT03755A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0676","0.0708","","","","","","1.111","","","","has coordinates","227928","2020-10-21","18:00:00",""
"7701946","17.4656","0.0018","8.3066","0.0006","20.8857","0.0016","90","","90","","90","","3030.1","0.4","85","2","85","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 Fe N8 O2 S2 -","- C30 H30 Fe N8 O2 S2 -","- C120 H120 Fe4 N32 O8 S8 -","4","1","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71075","MoKα","","0.1375","0.0617","","","0.1045","0.1251","","","","","","1.008","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701947","15.9129","0.0009","8.2544","0.0003","17.5843","0.0009","90","","114.966","0.007","90","","2093.9","0.2","105","","105","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Fe N8 O2 S2 -","- C42 H54 Fe N8 O2 S2 -","- C84 H108 Fe2 N16 O4 S4 -","2","0.5","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","x-ray","0.71073","MoKα","","0.0434","0.0348","","","0.0805","0.0843","","","","","","1.034","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701948","15.9053","0.0005","8.2351","0.0002","17.564","0.0004","90","","115.073","0.003","90","","2083.78","0.11","85","2","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Fe N8 O2 S2 -","- C42 H54 Fe N8 O2 S2 -","- C84 H108 Fe2 N16 O4 S4 -","2","0.5","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71073","MoKα","","0.0327","0.0278","","","0.0683","0.0702","","","","","","1.046","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701949","17.2689","0.001","8.5587","0.0004","21.2446","0.0012","90","","90","","90","","3139.9","0.3","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 Fe N8 O2 S2 -","- C30 H30 Fe N8 O2 S2 -","- C120 H120 Fe4 N32 O8 S8 -","4","1","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71073","MoKα","","0.1244","0.0551","","","0.0888","0.1073","","","","","","1.0098","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701950","17.3108","0.001","8.6178","0.0004","21.2607","0.0014","90","","90","","90","","3171.7","0.3","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 Fe N8 O2 S2 -","- C30 H30 Fe N8 O2 S2 -","- C120 H120 Fe4 N32 O8 S8 -","4","1","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71073","MoKα","","0.1234","0.054","","","0.0873","0.1043","","","","","","1.007","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701951","16.001","0.0004","8.5341","0.0002","17.4294","0.0005","90","","115.398","0.003","90","","2150.02","0.11","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Fe N8 O2 S2 -","- C42 H54 Fe N8 O2 S2 -","- C84 H108 Fe2 N16 O4 S4 -","2","0.5","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71073","MoKα","","0.0387","0.0332","","","0.0745","0.0768","","","","","","1.073","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701952","9.5637","0.0017","10.988","0.002","11.922","0.002","72.491","0.003","83.489","0.003","80.575","0.003","1175.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Co N O8 -","- C28 H22 Co N O8 -","- C56 H44 Co2 N2 O16 -","2","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71073","MoKα","","0.0652","0.0433","","","0.0917","0.1008","","","","","","1.043","","","","has coordinates","227930","2020-10-21","18:00:00",""
"7701953","10.3139","0.0006","11.5987","0.0007","12.548","0.0009","105.271","0.003","93.539","0.003","112.827","0.003","1311.8","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 Cd N O9 -","- C29 H25 Cd N O9 -","- C58 H50 Cd2 N2 O18 -","2","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71073","MoKα","","0.0463","0.0301","","","0.0552","0.0598","","","","","","1.019","","","","has coordinates","227930","2020-10-21","18:00:00",""
"7701954","9.6912","0.0005","10.6438","0.0005","12.065","0.0005","72.106","0.002","83.744","0.002","81.562","0.002","1168.8","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Mn N O8 -","- C28 H22 Mn N O8 -","- C56 H44 Mn2 N2 O16 -","2","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71073","MoKα","","0.0605","0.0429","","","0.0921","0.1006","","","","","","1.046","","","","has coordinates","227930","2020-10-21","18:00:00",""
"7701955","9.6652","0.0008","11.6743","0.0012","11.8784","0.001","71.653","0.005","80.651","0.005","78.363","0.006","1238.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Mn N O8 -","- C29 H24 Mn N O8 -","- C58 H48 Mn2 N2 O16 -","2","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71073","MoKα","","0.0706","0.043","","","0.0947","0.1064","","","","","","1.048","","","","has coordinates","227930","2020-10-21","18:00:00",""
"7701956","9.85","0.005","11.673","0.005","12.54","0.005","73.808","0.005","68.675","0.005","80.239","0.005","1286.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cd N O8 -","- C29 H19 Cd N O8 -","- C58 H38 Cd2 N2 O16 -","2","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71069","MoKα","","0.0491","0.034","","","0.0788","0.0855","","","","","","1.029","","","","has coordinates,has disorder","227930","2020-10-21","18:00:00",""
"7701957","10.0972","0.0006","20.9553","0.0011","21.18","0.0012","75.06","0.003","83.715","0.003","86.293","0.003","4300.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H72 Cd5 N O33 -","- C95 H72 Cd5 N O33 -","- C190 H144 Cd10 N2 O66 -","2","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71073","MoKα","","0.0846","0.0419","","","0.0811","0.0961","","","","","","0.981","","","","has coordinates,has disorder","227930","2020-10-21","18:00:00",""
"7701958","14.496","0.002","14.212","0.002","25.162","0.004","90","","100.091","0.005","90","","5103.6","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26.5 N O8.25 -","- C29 H26 N O8.246 -","- C232 H208 N8 O65.968 -","8","1","","Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su","A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors","Dalton Transactions","2019","","","","","10.1039/C9DT03929E","","","0.71073","MoKα","","0.1181","0.077","","","0.1819","0.2072","","","","","","1.027","","","","has coordinates,has disorder","227930","2020-10-21","18:00:00",""
"7701959","9.9785","0.0004","13.0028","0.0005","15.0193","0.0005","114.068","0.001","104.088","0.001","97.102","0.001","1670.23","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Au Cl N P -","- C39 H32 Au Cl N P -","- C78 H64 Au2 Cl2 N2 P2 -","2","1","","Knoll, Daniel M.; Zippel, Christoph; HASSAN, ZAHID; Nieger, Martin; Weis, Patrick; Kappes, Manfred; Bräse, Stefan","A Highly Stable, Au/Ru Heterobimetallic Photoredox Catalyst with a [2.2]Paracyclophane Backbone","Dalton Transactions","2019","","","","","10.1039/C9DT04366G","","","1.54178","CuKα","","0.0296","0.0291","","","0.0734","0.0738","","","","","","1.172","","","","has coordinates","227931","2020-10-21","18:00:00",""
"7701960","14.354","0.003","17.052","0.002","16.986","0.002","90","","119.674","0.012","90","","3612.3","1.1","150","2","149.97","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N2 O12 Tb -","- C17 H14 N2 O12 Tb -","- C136 H112 N16 O96 Tb8 -","8","1","","Liu, Wei; Liu, Chengdong; Chen, Chunyang; Huang, Xin; Liu, Weisheng","Functional construction of a water-stable Tb-coordination polymer luminescent sensor for highly selective detection of picric acid in an aquatic environment","Dalton Transactions","2019","","","","","10.1039/C9DT04153B","","","1.54184","CuKα","","0.0341","0.0309","","","0.0815","0.0835","","","","","","1.075","","","","has coordinates","227932","2020-10-21","18:00:00",""
"7701964","27.6066","0.0007","13.4628","0.0003","21.1123","0.0005","90","","125.57","0.002","90","","6382.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cl6 N6 S6 Zn3 -","- C48 H42 Cl6 N6 S6 Zn3 -","- C192 H168 Cl24 N24 S24 Zn12 -","4","0.5","","Li, Kan; Li, Jing-jing; Zhao, Ni; Xie, Ting-ting; Di, Bin; Xu, Li-li","Thioether-Based Recyclable Metal Organic Frameworks for Selective and Efficient Removal of Hg2+ from Water","Dalton Transactions","2019","","","","","10.1039/C9DT03714D","","","0.71073","MoKα","","0.0758","0.0573","","","0.1449","0.1575","","","","","","1.071","","","","has coordinates","231020","2020-10-21","18:00:00",""
"7701965","9.7837","0.0007","22.9814","0.0018","29.458","0.002","90","","90","","90","","6623.4","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H57 Br4 Cu2 N7 O6 S6 -","- C56 H57 Br4 Cu2 N7 O6 S6 -","- C224 H228 Br16 Cu8 N28 O24 S24 -","4","0.5","","Li, Kan; Li, Jing-jing; Zhao, Ni; Xie, Ting-ting; Di, Bin; Xu, Li-li","Thioether-Based Recyclable Metal Organic Frameworks for Selective and Efficient Removal of Hg2+ from Water","Dalton Transactions","2019","","","","","10.1039/C9DT03714D","","x-ray","0.71073","MoKα","","0.1793","0.1191","","","0.2743","0.2909","","","","","","0.994","","","","has coordinates,has disorder","231020","2020-10-21","18:00:00",""
"7701966","37.334","0.004","11.7895","0.0012","19.3724","0.0019","90","","117.422","0.003","90","","7568.7","1.4","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H144 Cu8 I12 N18 O16 S12 -","- C116 H144 Cu8 I12 N18 O16 S12 -","- C232 H288 Cu16 I24 N36 O32 S24 -","2","0.25","","Li, Kan; Li, Jing-jing; Zhao, Ni; Xie, Ting-ting; Di, Bin; Xu, Li-li","Thioether-Based Recyclable Metal Organic Frameworks for Selective and Efficient Removal of Hg2+ from Water","Dalton Transactions","2019","","","","","10.1039/C9DT03714D","","","0.77489","synchrotron","","0.1062","0.1032","","","0.2343","0.236","","","","","","1.186","","","","has coordinates,has disorder","231020","2020-10-21","18:00:00",""
"7701967","9.5747","0.0009","16.6202","0.0015","14.3006","0.0013","90","","90.226","0.003","90","","2275.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 O3 -","- C29 H21 N3 O3 -","- C116 H84 N12 O12 -","4","1","","Dey, Sunanda; Maity, Suvendu; Pal, Kunal; Jana, Kuladip; Sinha, Chittaranjan","Oxidative dehydrogenation of a coumarinyl scaffold with Copper ion and metal ion detection in human liver cancer cell (HepG2)","Dalton Transactions","2019","","","","","10.1039/C9DT03870A","","","0.71073","MoKα","","0.1502","0.0744","","","0.1208","0.1458","","","","","","1.078","","","","has coordinates","231021","2020-10-21","18:00:00",""
"7701968","11.7997","0.0018","15.054","0.002","14.475","0.002","90","","90.113","0.005","90","","2571.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 Cl Cu N3 O7 -","- C29 H20 Cl Cu N3 O7 -","- C116 H80 Cl4 Cu4 N12 O28 -","4","1","","Dey, Sunanda; Maity, Suvendu; Pal, Kunal; Jana, Kuladip; Sinha, Chittaranjan","Oxidative dehydrogenation of a coumarinyl scaffold with Copper ion and metal ion detection in human liver cancer cell (HepG2)","Dalton Transactions","2019","","","","","10.1039/C9DT03870A","","","0.71073","MoKα","","0.2044","0.1151","","","0.2463","0.2996","","","","","","1.08","","","","has coordinates","231021","2020-10-21","18:00:00",""
"7701969","22.2885","0.0001","25.786","0.0001","26.5742","0.0001","90","","110.795","0.001","90","","14278.1","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H140 Cl4 Cu10 N54 O23 -","- C106 H140 Cl4 Cu10 N54 O23 -","- C424 H560 Cl16 Cu40 N216 O92 -","4","1","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0699","0.0656","","","0.1877","0.191","","","","","","1.072","","","","has coordinates,has disorder","231022","2020-10-21","18:00:00",""
"7701970","22.2435","0.0002","26.0724","0.0002","26.5968","0.0002","90","","111.071","0.001","90","","14393.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H96 Cu10 F6 N48 Si -","- C88 H96 Cu10 F6 N48 Si -","- C352 H384 Cu40 F24 N192 Si4 -","4","0.5","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0964","0.0986","","","","","","1.053","","","","has coordinates,has disorder","231022","2020-10-21","18:00:00",""
"7701971","9.4211","0.0005","14.8334","0.0005","21.6671","0.001","90","","90","","90","","3027.9","0.2","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H25 Cl Cu2 N12 O4 -","- C22 H25 Cl Cu2 N12 O4 -","- C88 H100 Cl4 Cu8 N48 O16 -","4","0.5","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0787","0.066","","","0.1807","0.1918","","","","","","1.138","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7701972","11.3723","0.0002","13.5038","0.0002","9.4796","0.0001","90","","93.625","0.001","90","","1452.86","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cu N6 O -","- C13 H18 Cu N6 O -","- C52 H72 Cu4 N24 O4 -","4","1","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","","1.54178","CuKα","","0.0389","0.0362","","","0.1006","0.1026","","","","","","1.101","","","","has coordinates,has disorder","231022","2020-10-21","18:00:00",""
"7701973","9.1003","0.0002","9.0877","0.0002","15.9711","0.0003","90","","90.77","0.002","90","","1320.7","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Br Cu N6 -","- C11 H13 Br Cu N6 -","- C44 H52 Br4 Cu4 N24 -","4","1","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0568","0.0455","","","0.1181","0.1332","","","","","","1.044","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7701974","19.2461","0.0002","19.2461","0.0002","14.4823","0.0003","90","","90","","90","","5364.42","0.14","100","0.11","100","0.11","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C88 H96 Br Cu10 N48 -","- C88 H96 Br Cu10 N48 -","- C176 H192 Br2 Cu20 N96 -","2","0.25","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0761","0.0491","","","0.1195","0.131","","","","","","1.044","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7701975","8.615","0.0001","14.25","0.0002","10.5755","0.0001","90","","93.057","0.001","90","","1296.44","0.03","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 F6 N12 Si -","- C22 H26 Cu2 F6 N12 Si -","- C44 H52 Cu4 F12 N24 Si2 -","2","0.5","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0745","0.0748","","","","","","1.06","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7701976","19.3296","0.0003","19.3296","0.0003","14.3057","0.0004","90","","90","","90","","5345.09","0.19","100","0.11","100","0.11","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C88 H96 Cl Cu10 N48 -","- C88 H96 Cl Cu10 N48 -","- C176 H192 Cl2 Cu20 N96 -","2","0.25","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.1277","0.0658","","","0.1606","0.1922","","","","","","1.026","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7701977","26.631","0.005","12.879","0.002","14.387","0.002","90","","119.171","0.005","90","","4308.6","1.2","294","2","293.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cd Cl2 N2 O3 -","- C18 H16 Cd Cl2 N2 O3 -","- C144 H128 Cd8 Cl16 N16 O24 -","8","1","","Wang, Haiyu; Tu, Zu Ming; Zhang, Hong","A novel photochromic coordination polymer based on a robust viologen ligand exhibiting multiple detection properties in solid state","Dalton Transactions","2019","","","","","10.1039/C9DT03835C","","","0.71073","MoKα","","0.0352","0.0283","","","0.0763","0.0817","","","","","","1.09","","","","has coordinates","231023","2020-10-21","18:00:00",""
"7701978","26.6346","0.0019","12.786","0.001","14.3789","0.0009","90","","119.578","0.002","90","","4258.6","0.5","295","2","295.42","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cd Cl2 N2 O3 -","- C18 H16 Cd Cl2 N2 O3 -","- C144 H128 Cd8 Cl16 N16 O24 -","8","1","","Wang, Haiyu; Tu, Zu Ming; Zhang, Hong","A novel photochromic coordination polymer based on a robust viologen ligand exhibiting multiple detection properties in solid state","Dalton Transactions","2019","","","","","10.1039/C9DT03835C","","","0.71073","MoKα","","0.0325","0.0221","","","0.0473","0.051","","","","","","1.045","","","","has coordinates","231023","2020-10-21","18:00:00",""
"7701983","9.2689","0.0006","11.033","0.0008","11.9125","0.0008","77.115","0.001","75.899","0.001","72.131","0.001","1109.92","0.13","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 N2 Si2 Y2 -","- C44 H68 N2 Si2 Y2 -","- C44 H68 N2 Si2 Y2 -","1","0.5","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0403","0.0329","","","0.0915","0.1134","","","","","","1.206","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7701984","9.8597","0.0008","15.9005","0.0013","14.3669","0.0012","90","","106.924","0.001","90","","2154.8","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 N2 Sc2 Si2 -","- C44 H68 N2 Sc2 Si2 -","- C88 H136 N4 Sc4 Si4 -","2","0.5","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0679","0.0507","","","0.1268","0.1431","","","","","","1.037","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7701985","8.732","0.006","22.278","0.014","24.533","0.016","90","","99.094","0.011","90","","4712","5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 B4 N2 Nd2 -","- C36 H64 B4 N2 Nd2 -","- C144 H256 B16 N8 Nd8 -","4","1","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0363","0.0292","","","0.071","0.0741","","","","","","1.027","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7701986","20.3069","0.0012","10.579","0.0006","24.3769","0.0015","90","","111.264","0.001","90","","4880.3","0.5","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Cl5 Li N2 O2 Y2 -","- C44 H64 Cl5 Li N2 O2 Y2 -","- C176 H256 Cl20 Li4 N8 O8 Y8 -","4","1","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0674","0.0426","","","0.1144","0.129","","","","","","1.052","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7701987","12.5958","0.0008","24.8514","0.0015","12.0503","0.0007","90","","90","","90","","3772","0.4","185","2","185","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H48 Cl4 Lu2 N2 -","- C36 H48 Cl4 Lu2 N2 -","- C144 H192 Cl16 Lu8 N8 -","4","0.5","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0268","0.0214","","","0.0514","0.0534","","","","","","1.043","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7701988","8.6992","0.0005","12.417","0.0007","21.8057","0.0012","92.15","0.001","94.739","0.001","96.583","0.001","2329.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 B4 N2 Sm2 -","- C36 H58 B4 N2 Sm2 -","- C72 H116 B8 N4 Sm4 -","2","1","","Mu, Ying; Song, Tingting; Liu, Ning; Tong, Xiaobo; Li, Feng; Mu, Xiaoyue","Half-Sandwich Rare-Earth Metal Complexes Bearing a C5Me4-C6H4-o-CH2NMe2 Ligand: Synthesis, Characterization and Catalytic Properties for Isoprene, 1-Hexene and MMA Polymerization","Dalton Transactions","2019","","","","","10.1039/C9DT04029C","","","0.71073","MoKα","","0.0421","0.036","","","0.0989","0.1155","","","","","","1.102","","","","has coordinates","231026","2020-10-21","18:00:00",""
"7701994","24.7006","0.0016","24.1052","0.0017","24.8467","0.0016","90","","118.302","0.0011","90","","13025.6","1.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H143 Cu6 K3 N12 Nb16 O95 -","- C60 H48 Cu6 K3 N12 Nb16 O69 -","- C240 H192 Cu24 K12 N48 Nb64 O276 -","4","0.5","","Niu, Jingyang; Liang, Zhijie; Qiao, Yuanyuan; Li, Miaomiao; Ma, Pengtao; Wang, Jingping","Two synthetic routes generate two isopolyoxoniobates based on {Nb16} and {Nb20}","Dalton Transactions","2019","","","","","10.1039/C9DT04147H","","","0.71073","MoKα","","0.09","0.0542","","","0.1487","0.1755","","","","","","1.038","","","","has coordinates","231110","2020-10-21","18:00:00",""
"7701995","19.1459","0.0007","19.639","0.0008","35.0769","0.0015","97.782","0.002","94.089","0.001","115.18","0.001","11703.1","0.8","296","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H228 Cu11 N22 Nb20 O131 -","- C110 H88 Cu11 N22 Nb20 O79 -","- C220 H176 Cu22 N44 Nb40 O158 -","2","1","","Niu, Jingyang; Liang, Zhijie; Qiao, Yuanyuan; Li, Miaomiao; Ma, Pengtao; Wang, Jingping","Two synthetic routes generate two isopolyoxoniobates based on {Nb16} and {Nb20}","Dalton Transactions","2019","","","","","10.1039/C9DT04147H","","","0.71073","MoKα","","0.0695","0.0573","","","0.1551","0.1648","","","","","","1.061","","","","has coordinates,has disorder","231110","2020-10-21","18:00:00",""
"7701996","40.567","0.003","9.3711","0.0007","29.875","0.002","90","","121.95","0.001","90","","9636.7","1.2","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H45 F12 Na Ni O11 P2 Sb2 -","- C35 H45 F12 Na Ni O11 P2 Sb2 -","- C280 H360 F96 Na8 Ni8 O88 P16 Sb16 -","8","1","","Xiao, Dawei; Cai, Zhongzheng; Do, Loi","Accelerating Ethylene Polymerization Using Secondary Metal Ions in Tetrahydrofuran","Dalton Transactions","2019","","","","","10.1039/C9DT04288A","","","0.71073","MoKα","","0.0741","0.0567","","","0.1547","0.1723","","","","","","1.03","","","","has coordinates,has disorder","231189","2020-10-21","18:00:00",""
"7701997","8.7204","0.0004","14.0336","0.0006","25.4624","0.0011","90","","90.973","0.001","90","","3115.6","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 F6 Ni O5 P2 Sb -","- C27 H33 F6 Ni O5 P2 Sb -","- C108 H132 F24 Ni4 O20 P8 Sb4 -","4","1","","Xiao, Dawei; Cai, Zhongzheng; Do, Loi","Accelerating Ethylene Polymerization Using Secondary Metal Ions in Tetrahydrofuran","Dalton Transactions","2019","","","","","10.1039/C9DT04288A","","","0.71073","MoKα","","0.0213","0.0197","","","0.0501","0.0511","","","","","","1.03","","","","has coordinates","231189","2020-10-21","18:00:00",""
"7701998","10.2493","0.0017","15.708","0.003","17.072","0.003","97.691","0.002","105.207","0.002","108.91","0.002","2436","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37.47 H54.87 F12 Na Ni O9.53 P2 Sb2 -","- C37.47 H54.88 F12 Na Ni O9.53 P2 Sb2 -","- C74.94 H109.76 F24 Na2 Ni2 O19.06 P4 Sb4 -","2","1","","Xiao, Dawei; Cai, Zhongzheng; Do, Loi","Accelerating Ethylene Polymerization Using Secondary Metal Ions in Tetrahydrofuran","Dalton Transactions","2019","","","","","10.1039/C9DT04288A","","","0.71073","MoKα","","0.0887","0.0731","","","0.2113","0.2261","","","","","","1.034","","","","has coordinates,has disorder","231189","2020-10-21","18:00:00",""
"7702242","12.9712","0.0006","28.4832","0.0012","22.9004","0.001","90","","105.719","0.0013","90","","8144.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H57 Cl2 F3 Ir N7 -","- C80 H57 Cl2 F3 Ir N7 -","- C320 H228 Cl8 F12 Ir4 N28 -","4","1","","Wang, Yue; Xiao, Yu-Ping; Zhou, Yue-Yue; Hu, Cheng-Gui; Tong, Bi-Hai; Ye, Shang-Hui; Mei, Qun-Bo","Novel phosphorescent triptycene-based Ir(iii) complexes for organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16289","16297","10.1039/c9dt03182k","","","0.71073","MoKα","","0.0393","0.0283","","","0.0638","0.0672","","","","","","1.005","","","","has coordinates","237898","2020-10-21","18:00:00",""
"7702243","11.9187","0.001","21.3168","0.0017","15.1658","0.0012","90","","90","","90","","3853.2","0.5","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C27 H17 N S -","- C27 H17 N S -","- C216 H136 N8 S8 -","8","1","","Wang, Yue; Xiao, Yu-Ping; Zhou, Yue-Yue; Hu, Cheng-Gui; Tong, Bi-Hai; Ye, Shang-Hui; Mei, Qun-Bo","Novel phosphorescent triptycene-based Ir(iii) complexes for organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16289","16297","10.1039/c9dt03182k","","","0.71073","MoKα","","0.046","0.0363","","","0.0823","0.0896","","","","","","1.023","","","","has coordinates","237898","2020-10-21","18:00:00",""
"7702244","21.865","0.009","9.516","0.004","27.182","0.016","90","","106.251","0.006","90","","5430","5","296","2","296","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C52 H50 Cl3 Dy N4 O7 -","- C52 H50 Cl3 Dy N4 O7 -","- C208 H200 Cl12 Dy4 N16 O28 -","4","0.5","","Yu, Shui; Chen, Zilu; Hu, Huancheng; Li, Bo; Liang, Yuning; Liu, Dongcheng; Zou, Huahong; Yao, Di; Liang, Fupei","Two mononuclear dysprosium(iii) complexes with their slow magnetic relaxation behaviors tuned by coordination geometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16679","16686","10.1039/c9dt03253c","","","0.71073","MoKα","","0.0809","0.0433","","","0.1085","0.1257","","","","","","1.08","","","","has coordinates","237900","2020-10-21","18:00:00",""
"7702245","9.4922","0.0002","20.0288","0.0004","28.8092","0.0006","90","","90","","90","","5477.1","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 Cl3 Dy N6 O8.5 -","- C55 H53 Cl3 Dy N6 O8.5 -","- C220 H212 Cl12 Dy4 N24 O34 -","4","1","","Yu, Shui; Chen, Zilu; Hu, Huancheng; Li, Bo; Liang, Yuning; Liu, Dongcheng; Zou, Huahong; Yao, Di; Liang, Fupei","Two mononuclear dysprosium(iii) complexes with their slow magnetic relaxation behaviors tuned by coordination geometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16679","16686","10.1039/c9dt03253c","","","0.71073","MoKα","","0.0642","0.0521","","","0.1191","0.1237","","","","","","1.077","","","","has coordinates,has disorder","237900","2020-10-21","18:00:00",""
"7702246","47.81","0.003","47.81","0.003","9.5696","0.0006","90","","90","","120","","18944","2","150","2","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H98 N6 Nd4 O28 -","- C66 H98 N6 Nd4 O28 -","- C594 H882 N54 Nd36 O252 -","9","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0582","0.0415","","","0.0988","0.1086","","","","","","1.068","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702247","14.8441","0.0011","15.0331","0.001","17.0783","0.0013","90","","99.366","0.002","90","","3760.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 Dy4 N6 O26 -","- C64 H90 Dy4 N6 O26 -","- C128 H180 Dy8 N12 O52 -","2","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0815","0.0463","","","0.1072","0.1269","","","","","","1.078","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702248","14.8527","0.0007","15.0504","0.0008","17.165","0.0007","90","","99.43","0.004","90","","3785.2","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 Gd4 N6 O24 -","- C62 H82 Gd4 N6 O24 -","- C124 H164 Gd8 N12 O48 -","2","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0898","0.0644","","","0.1823","0.2081","","","","","","1.003","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702249","24.4789","0.0012","15.0651","0.0007","20.8613","0.0011","90","","98.526","0.002","90","","7608.1","0.7","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 N6 O26 Sm4 -","- C64 H90 N6 O26 Sm4 -","- C256 H360 N24 O104 Sm16 -","4","1","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0774","0.0476","","","0.1154","0.1358","","","","","","1.053","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702250","8.56","0.0004","14.0982","0.0007","14.3191","0.0006","96.775","0.002","94.875","0.002","101.833","0.002","1668.88","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H66 Cl4 Lu4 N6 O20 -","- C58 H66 Cl4 Lu4 N6 O20 -","- C58 H66 Cl4 Lu4 N6 O20 -","1","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0383","0.0291","","","0.0656","0.0691","","","","","","1.04","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702251","14.8499","0.0011","15.0852","0.0012","17.2237","0.0013","90","","99.221","0.002","90","","3808.5","0.5","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 N6 O26 Tm4 -","- C64 H90 N6 O26 Tm4 -","- C128 H180 N12 O52 Tm8 -","2","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0977","0.0567","","","0.1439","0.1812","","","","","","1.03","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702252","11.518","0.0009","12.4304","0.0009","17.4525","0.0012","104.453","0.004","98.872","0.004","109.749","0.003","2197.9","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H82 Er6 N12 O26 -","- C78 H82 Er6 N12 O26 -","- C78 H82 Er6 N12 O26 -","1","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0926","0.0491","","","0.1039","0.1208","","","","","","1.02","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702253","24.4547","0.001","15.0632","0.0007","20.8363","0.001","90","","98.3314","0.0016","90","","7594.4","0.6","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 Eu4 N6 O26 -","- C64 H90 Eu4 N6 O26 -","- C256 H360 Eu16 N24 O104 -","4","1","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0629","0.045","","","0.1119","0.1303","","","","","","1.039","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702254","15.3614","0.0016","12.8302","0.0013","35.007","0.004","90","","94.671","0.003","90","","6876.6","1.3","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H78 N6 O23 Tb4 -","- C61 H78 N6 O23 Tb4 -","- C244 H312 N24 O92 Tb16 -","4","1","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.1548","0.0944","","","0.2244","0.2606","","","","","","1.062","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702255","13.0254","0.0007","16.3691","0.001","23.8144","0.0014","90","","101.522","0.002","90","","4975.2","0.5","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H82 N12 O26 Yb6 -","- C78 H82 N12 O26 Yb6 -","- C156 H164 N24 O52 Yb12 -","2","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0546","0.0381","","","0.092","0.103","","","","","","1.05","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702256","8.5987","0.0003","11.4331","0.0004","12.2092","0.0005","80.142","0.001","71.848","0.001","75.265","0.001","1097.5","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Fe N O2.5 P -","- C25 H25 Fe N O2.5 P -","- C50 H50 Fe2 N2 O5 P2 -","2","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.037","0.0298","","","0.0724","0.0759","","","","","","1.049","","","","has coordinates","237903","2020-10-21","18:00:00",""
"7702257","9.9817","0.0003","12.5696","0.0003","24.8429","0.0006","104.189","0.001","91.525","0.001","106.34","0.001","2884.45","0.13","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H58 Cl5 Fe2 I2 N2 O2 P2 Pd -","- C55 H58 Cl5 Fe2 I2 N2 O2 P2 Pd -","- C110 H116 Cl10 Fe4 I4 N4 O4 P4 Pd2 -","2","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0407","0.0313","","","0.0734","0.0782","","","","","","1.036","","","","has coordinates,has disorder","237903","2020-10-21","18:00:00",""
"7702258","24.6811","0.0007","24.6811","0.0007","19.4321","0.0007","90","","90","","90","","11837.2","0.6","150","2","150","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C56 H60 Br2 Cl6 Fe2 N2 O2 P2 Pd -","- C56 H60 Br2 Cl6 Fe2 N2 O2 P2 Pd -","- C448 H480 Br16 Cl48 Fe16 N16 O16 P16 Pd8 -","8","0.5","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0927","0.0515","","","0.1208","0.1413","","","","","","1.016","","","","has coordinates","237903","2020-10-21","18:00:00",""
"7702259","13.3402","0.0003","10.6845","0.0002","19.5177","0.0004","90","","97.843","0.001","90","","2755.9","0.1","150","2","150","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2 -","- C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2 -","- C106 H100 Cl4 F12 Fe4 N4 O16 P4 Pd2 S4 -","2","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0387","0.0326","","","0.0712","0.0743","","","","","","1.023","","","","has coordinates","237903","2020-10-21","18:00:00",""
"7702260","10.9881","0.0002","11.6075","0.0002","12.538","0.0003","112.701","0.001","95.227","0.001","97.821","0.001","1443.39","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H35 Fe N2 O P Pd -","- C34 H35 Fe N2 O P Pd -","- C68 H70 Fe2 N4 O2 P2 Pd2 -","2","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0219","0.0201","","","0.0478","0.0487","","","","","","1.036","","","","has coordinates,has disorder","237903","2020-10-21","18:00:00",""
"7702261","33.6489","0.0011","13.9071","0.0004","25.6588","0.001","90","","115.785","0.002","90","","10811.7","0.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H58 Cl6 Fe2 N2 O3 P2 Pd -","- C51 H47 Cl3 Fe2 N2 O2 P2 Pd -","- C408 H376 Cl24 Fe16 N16 O16 P16 Pd8 -","8","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0473","0.0371","","","0.0933","0.1","","","","","","1.024","","","","has coordinates","237903","2020-10-21","18:00:00",""
"7702262","22.3817","0.0005","9.5691","0.0002","22.7215","0.0005","90","","94.3249","0.0008","90","","4852.47","0.18","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cl2 Fe2 N3 O2 P2 Pd -","- C52 H51 Cl2 Fe2 N3 O2 P2 Pd -","- C208 H204 Cl8 Fe8 N12 O8 P8 Pd4 -","4","1","","Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16412","16425","10.1039/c9dt03646f","","","0.71073","MoKα","","0.0526","0.0333","","","0.0692","0.0767","","","","","","1.006","","","","has coordinates","237903","2020-10-21","18:00:00",""
"7702263","21.477","0.0002","21.477","0.0002","45.3378","0.0005","90","","90","","120","","18110.8","0.3","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C276 H264 Mg6 N12 P6 -","- C276.012 H264 Mg6 N12 P6 -","- C828.036 H792 Mg18 N36 P18 -","3","0.166667","","Lawrence, Samuel R.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Mechanistic insights of anionic ligand exchange and fullerene reduction with magnesium(i) compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","45","16936","16942","10.1039/c9dt03976g","","","1.54184","CuKα","","0.0627","0.0544","","","0.1509","0.1582","","","","","","1.06","","","","has coordinates,has disorder","237906","2020-10-21","18:00:00",""
"7702907","15.7163","0.0018","15.7163","0.0018","52.205","0.01","90","","90","","120","","11167","3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C46 H30 In3 N7 O24 -","- C46 H30.0006 In3 N7 O24 -","- C276 H180.004 In18 N42 O144 -","6","0.166667","","Li, Guodong; Ji, Guoxun; Liu, Wei; Zhang, Jiarong; Song, Liping; Cheng, Liwei; Wang, Xia; Wang, Yanlong; Liu, Jianjun; Chen, Xudan; Sun, Xinli; Diwu, Juan","A hydrolytically stable anionic layered indium‒organic framework for the efficient removal of 90Sr from seawater","Dalton Transactions","2019","","","","","10.1039/C9DT03112J","","","0.71073","MoKα","","0.0856","0.0516","","","0.1368","0.1496","","","","","","1.08","","","","has coordinates","244796","2020-10-21","18:00:00",""
"7702908","12.7515","0.0016","12.8834","0.0016","13.5198","0.0016","90","","107.355","0.007","90","","2120","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cu N6 O6 -","- C16 H17 Cu N5 O5 -","- C64 H68 Cu4 N20 O20 -","4","1","","Millan, Simon; Gil-Hernández, Beatriz; Milles, Erik; Gökpinar, Serkan; Makhloufi, Gamall; Schmitz, Alexa; Schlüsener, Carsten; Janiak, Christoph","rtl-M-MOFs (M = Cu, Zn) with a T-shaped bifunctional pyrazole-isophthalate ligand showing flexibility and S-shaped Type F-IV sorption isotherms with high saturation uptakes for M = Cu.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8057","8067","10.1039/c9dt01499c","","","0.71073","MoKα","","0.1311","0.0672","","","0.1474","0.1756","","","","","","0.999","","","","has coordinates","244800","2020-10-21","18:00:00",""
"7702920","29.577","0.003","5.0295","0.0004","14.2565","0.0012","90","","92.983","0.003","90","","2117.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N16 O12 -","- C8 H12 N16 O12 -","- C32 H48 N64 O48 -","4","0.5","","Xiong, Hualin; Yang, Hongwei; Lei, Caijin; Yang, Pengjiu; Hu, Wei; Cheng, Guangbin","Combinations of furoxan and 1,2,4-oxadiazole for the generation of high performance energetic materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14705","14711","10.1039/c9dt02684c","","","0.71073","MoKα","","0.1134","0.0691","","","0.179","0.2079","","","","","","1.169","","","","has coordinates,has disorder","244810","2020-10-21","18:00:00",""
"7702927","11.6141","0.0006","20.4509","0.0011","25.1549","0.0013","90","","91.713","0.001","90","","5972.1","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ba(AB)]","","","- C57 H82 B Ba N7 -","- C57 H82 B Ba N7 -","- C228 H328 B4 Ba4 N28 -","4","1","","Shi, Xianghui; Liu, Zhizhou; Cheng, Jianhua","Barium tetraalkylaluminate complexes supported by the super-bulky hydrotris(pyrazolyl)borate ligand","Dalton Transactions","2019","","","","","10.1039/C9DT04182F","","","0.71073","MoKα","","0.0718","0.0516","","","0.124","0.1354","","","","","","1.035","","","","has coordinates","244822","2020-10-21","18:00:00",""
"7702928","11.6917","0.0006","13.0673","0.0006","19.1695","0.0009","80.152","0.001","80.831","0.001","75.528","0.001","2773","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","[(TpAd,iPr)Ba(AlEt4)]","","","- C56 H90 Al B Ba N6 -","- C56 H90 Al B Ba N6 -","- C112 H180 Al2 B2 Ba2 N12 -","2","1","","Shi, Xianghui; Liu, Zhizhou; Cheng, Jianhua","Barium tetraalkylaluminate complexes supported by the super-bulky hydrotris(pyrazolyl)borate ligand","Dalton Transactions","2019","","","","","10.1039/C9DT04182F","","","0.71073","MoKα","","0.0351","0.0319","","","0.0801","0.0821","","","","","","1.029","","","","has coordinates","244822","2020-10-21","18:00:00",""
"7702929","12.2575","0.0012","14.7303","0.0014","15.1632","0.0014","95.071","0.001","93.004","0.002","95.766","0.001","2708.1","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","[(TpAd,iPr)Ba(AlMe4)]2","","","- C52 H82 Al B Ba N6 -","- C52 H82 Al B Ba N6 -","- C104 H164 Al2 B2 Ba2 N12 -","2","1","","Shi, Xianghui; Liu, Zhizhou; Cheng, Jianhua","Barium tetraalkylaluminate complexes supported by the super-bulky hydrotris(pyrazolyl)borate ligand","Dalton Transactions","2019","","","","","10.1039/C9DT04182F","","","0.71073","MoKα","","0.0467","0.0382","","","0.0931","0.0976","","","","","","1.043","","","","has coordinates","244822","2020-10-21","18:00:00",""
"7702930","12.6731","0.001","18.95","0.0013","10.049","0.0008","90","","90","","90","","2413.3","0.3","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H22 Cu N8 O4 -","- C26 H22 Cu N8 O4 -","- C104 H88 Cu4 N32 O16 -","4","0.5","","Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao","Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities","Dalton Transactions","2019","","","","","10.1039/C9DT03746B","","","0.71073","MoKα","","0.0554","0.0381","","","0.0626","0.0683","","","","","","0.994","","","","has coordinates","244823","2020-10-21","18:00:00",""
"7702931","11.7488","0.0003","9.2765","0.0003","31.8767","0.0008","90","","90","","90","","3474.17","0.17","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H36 Cu N10 O6 -","- C32 H36 Cu N10 O6 -","- C128 H144 Cu4 N40 O24 -","4","0.5","","Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao","Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities","Dalton Transactions","2019","","","","","10.1039/C9DT03746B","","","1.54178","CuKα","","0.0434","0.0362","","","0.0992","0.1057","","","","","","1.065","","","","has coordinates,has disorder","244823","2020-10-21","18:00:00",""
"7702932","11.7231","0.0003","9.5146","0.0003","30.8378","0.0011","90","","90","","90","","3439.67","0.19","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H36 Cu N10 O6 -","- C32 H36 Cu N10 O6 -","- C128 H144 Cu4 N40 O24 -","4","0.5","","Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao","Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities","Dalton Transactions","2019","","","","","10.1039/C9DT03746B","","","1.54178","CuKα","","0.0542","0.0433","","","0.1168","0.1266","","","","","","1.056","","","","has coordinates","244823","2020-10-21","18:00:00",""
"7703227","11.205","0.0006","11.6532","0.0006","15.7734","0.0007","99.762","0.002","97.186","0.002","118.544","0.002","1731.79","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H55 N2 Re Si -","- C37 H55 N2 Re Si -","- C74 H110 N4 Re2 Si2 -","2","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0257","0.0247","","","0.0672","0.0679","","","","","","1.024","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703228","18.2169","0.0014","13.5751","0.001","23.0882","0.0016","90","","92.707","0.003","90","","5703.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 N2 Na O9 Re -","- C62 H88 N2 Na O9 Re -","- C248 H352 N8 Na4 O36 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0376","0.0299","","","0.072","0.0743","","","","","","1.028","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703229","17.4379","0.0008","19.7759","0.001","10.2741","0.0005","90","","90","","90","","3543","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H55 N4 Re Si -","- C37 H56 N4 Re Si -","- C148 H224 N16 Re4 Si4 -","4","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0432","0.0419","","","0.1045","0.105","","","","","","1.302","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703230","12.1197","0.0006","12.6219","0.0006","12.7468","0.0006","83.6242","0.0018","71.618","0.0017","80.2046","0.0017","1820.02","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H112 N4 Na2 O4 Re2 -","- C78 H112 N4 Na2 O4 Re2 -","- C78 H112 N4 Na2 O4 Re2 -","1","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0224","0.0207","","","0.0496","0.0506","","","","","","1.023","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703231","14.4071","0.0007","16.3244","0.0008","17.5429","0.0009","86.467","0.002","70.184","0.002","65.348","0.002","3512.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H107 N3 Na O10 Re -","- C75 H107 N3 Na O10 Re -","- C150 H214 N6 Na2 O20 Re2 -","2","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0286","0.025","","","0.059","0.0602","","","","","","1.072","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703232","12.244","0.0006","19.7563","0.001","17.8939","0.0009","90","","92.124","0.002","90","","4325.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H65 N3 Na O Re -","- C47 H65 N3 Na O Re -","- C188 H260 N12 Na4 O4 Re4 -","4","2","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0371","0.0357","","","0.0911","0.092","","","","","","1.02","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703233","9.9082","0.0004","21.1364","0.0009","14.5809","0.0006","90","","91.647","0.002","90","","3052.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C35 H49 N2 Re -","- C35 H48.5 N2 Re -","- C140 H194 N8 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0514","0.046","","","0.1051","0.1092","","","","","","1.214","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703234","40.42","0.006","9.9942","0.0012","28.451","0.004","90","","134.07","0.004","90","","8258","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H130 N8 Re2 Zr -","- C90 H130 N8 Re2 Zr -","- C360 H520 N32 Re8 Zr4 -","4","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.71073","MoKα","","0.0579","0.0386","","","0.0814","0.0882","","","","","","1.034","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703235","26.7486","0.0011","14.7414","0.0006","23.335","0.001","90","","90","","90","","9201.3","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C98 H134 N4 Na2 O11 Re2 -","- C98 H134 N4 Na2 O11 Re2 -","- C392 H536 N16 Na8 O44 Re8 -","4","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.026","0.0235","","","0.0523","0.0535","","","","","","1.053","","","","has coordinates,has disorder","246604","2020-10-21","18:00:00",""
"7703236","38.4204","0.0019","10.5896","0.0005","18.2368","0.0008","90","","108.02","0.002","90","","7055.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H102 N4 O2 Re2 Zr -","- C80 H102 N4 O2 Re2 Zr -","- C320 H408 N16 O8 Re8 Zr4 -","4","0.5","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.71073","MoKα","","0.0296","0.0233","","","0.0474","0.0497","","","","","","1.029","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703237","22.3061","0.0013","10.3851","0.0006","17.2124","0.001","90","","105.885","0.002","90","","3835","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H62 N2 O Re Si -","- C41 H62 N2 O Re Si -","- C164 H248 N8 O4 Re4 Si4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17936","17944","10.1039/c9dt04489b","","","0.7288","synchrotron","","0.0453","0.0343","","","0.0694","0.0737","","","","","","1.076","","","","has coordinates","246604","2020-10-21","18:00:00",""
"7703238","16.22393","0.00014","24.1502","0.0002","23.9945","0.0002","90","","100.926","0.0009","90","","9230.89","0.14","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H144 In4 N8 O S4 -","- C72 H104 In4 N8 S4 -","- C288 H416 In16 N32 S16 -","4","0.5","","Desat, Marcella E.; Kretschmer, Robert","Facile oxidative addition of O<sub>2</sub> and S<sub>8</sub> by an indium bis(carbene) analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17718","17722","10.1039/c9dt04481g","","","1.54184","CuKα","","0.035","0.0273","","","0.0654","0.0671","","","","","","0.906","","","","has coordinates","246605","2020-10-21","18:00:00",""
"7703239","9.2217","0.0002","18.6267","0.0005","24.4822","0.0006","90","","90","","90","","4205.3","0.18","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 N4 S4 -","- C43 H60 N4 S4 -","- C172 H240 N16 S16 -","4","1","","Desat, Marcella E.; Kretschmer, Robert","Facile oxidative addition of O<sub>2</sub> and S<sub>8</sub> by an indium bis(carbene) analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17718","17722","10.1039/c9dt04481g","","x-ray","1.54184","CuKα","","0.0389","0.0348","","","0.086","0.0884","","","","","","1.048","","","","has coordinates,has disorder","246605","2020-10-21","18:00:00",""
"7703240","11.7484","0.0002","12.834","0.0003","14.8693","0.0003","106.288","0.002","110.634","0.002","98.668","0.002","1934.67","0.08","123.01","0.16","123.01","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 In4 N8 O1.96 -","- C72 H104 In4 N8 O1.9552 -","- C72 H104 In4 N8 O1.9552 -","1","0.5","","Desat, Marcella E.; Kretschmer, Robert","Facile oxidative addition of O<sub>2</sub> and S<sub>8</sub> by an indium bis(carbene) analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17718","17722","10.1039/c9dt04481g","","x-ray","1.54184","CuKα","","0.0232","0.0207","","","0.0499","0.051","","","","","","1.033","","","","has coordinates,has disorder","246605","2020-10-21","18:00:00",""
"7703241","21.8277","0.0004","21.8277","0.0004","7.6152","0.0001","90","","90","","90","","3628.25","0.11","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Fe2 N8 P -","- C96 H60 Cl4 Fe2 N8 P -","- C192 H120 Cl8 Fe4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.1063","0.0727","","","0.204","0.2425","","","","","","1.588","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703242","21.5677","0.0004","21.5677","0.0004","7.5411","0.0001","90","","90","","90","","3507.86","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Co2 N16 P -","- C88 H52 Cl4 Co2 N16 P -","- C176 H104 Cl8 Co4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0622","0.0524","","","0.1588","0.1674","","","","","","1.241","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703243","21.5347","0.0004","21.5347","0.0004","7.6345","0.0001","90","","90","","90","","3540.45","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Co2 N16 P -","- C88 H52 Br4 Co2 N16 P -","- C176 H104 Br8 Co4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0582","0.052","","","0.1573","0.1627","","","","","","1.19","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703244","21.6858","0.0004","21.6858","0.0004","7.5871","0.0001","90","","90","","90","","3568.02","0.1","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Co2 N8 P -","- C96 H60 Cl4 Co2 N8 P -","- C192 H120 Cl8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0673","0.0557","","","0.1729","0.1816","","","","","","1.35","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703245","21.5443","0.0004","21.5443","0.0004","7.5258","0.0001","90","","90","","90","","3493.15","0.1","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Co2 N8 P -","- C96 H60 Cl4 Co2 N8 P -","- C192 H120 Cl8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0594","0.0508","","","0.1581","0.1651","","","","","","1.285","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703246","21.4211","0.0004","21.4211","0.0004","7.6146","0.0001","90","","90","","90","","3494.06","0.1","111","2","111","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Br4 Co2 N8 P -","- C96 H60 Br4 Co2 N8 P -","- C192 H120 Br8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0605","0.0527","","","0.1697","0.177","","","","","","1.339","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703247","21.6659","0.0004","21.6659","0.0004","7.5523","0.0001","90","","90","","90","","3545.13","0.1","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Cl4 Fe2 N8 P -","- C96 H60 Cl4 Fe2 N8 P -","- C192 H120 Cl8 Fe4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0773","0.0616","","","0.1854","0.1984","","","","","","1.433","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703248","21.5389","0.0004","21.5389","0.0004","7.6686","0.0001","90","","90","","90","","3557.65","0.1","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C96 H60 Br4 Co2 N8 P -","- C96 H60 Br4 Co2 N8 P -","- C192 H120 Br8 Co4 N16 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0672","0.0524","","","0.1642","0.1769","","","","","","1.227","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703249","21.5815","0.0004","21.5815","0.0004","7.533","0.0001","90","","90","","90","","3508.58","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Fe2 N16 P -","- C88 H52 Cl4 Fe2 N16 P -","- C176 H104 Cl8 Fe4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0464","0.042","","","0.1442","0.15","","","","","","1.261","","","","has coordinates","246606","2020-10-21","18:00:00",""
"7703250","21.5372","0.0004","21.5372","0.0004","7.6257","0.0001","90","","90","","90","","3537.19","0.1","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Br4 Fe2 N16 P -","- C88 H52 Br4 Fe2 N16 P -","- C176 H104 Br8 Fe4 N32 P2 -","2","0.25","","Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki","Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17723","17728","10.1039/c9dt03653a","","","1.54187","CuKα","","0.0568","0.0512","","","0.1472","0.154","","","","","","1.103","","","","has coordinates","246606","2020-10-21","18:00:00",""
"8000281","9.8223","0.0006","19.3229","0.0002","17.8964","0.0011","90","","144.97","0.014","90","","1949.7","0.7","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 B F4 N2 O2 -","- C25 H13 B F4 N2 O2 -","- C100 H52 B4 F16 N8 O8 -","4","1","","Li, Tian-Yi; Benduhn, Johannes; Qiao, Zhi; Liu, Yuan; Li, Yue; Shivhare, Rishi; Jaiser, Frank; Wang, Pei; Ma, Jie; Zeika, Olaf; Neher, Dieter; Mannsfeld, Stefan C. B.; Ma, Zaifei; Vandewal, Koen; Leo, Karl","Effect of H- and J-Aggregation on the Photophysical and Voltage Loss of Boron Dipyrromethene Small Molecules in Vacuum-Deposited Organic Solar Cells.","The journal of physical chemistry letters","2019","","","2684","2691","10.1021/acs.jpclett.9b01222","","x-ray","1.54184","CuKα","","0.0386","0.035","","","0.0947","0.0982","","","","","","1.053","","","","has coordinates","215113","2020-10-21","18:00:00",""
"8000282","8.4155","0.0006","8.4155","0.0006","11.6376","0.0008","90","","90","","120","","713.76","0.09","273","2","273","2","","","","","","","","47","R 3 m :H","R 3 -2""","160","","","","- C8 H13 Be Br N O3 ad ar at2 be2 ca co d2 de di2 dr e5 ec en er ff h hy ic2 io ld n nn of og om ou rd re s sh si so t te th4 to tu ul us wh wi -","- C6 H13 Br N O3 -","- C18 H39 Br3 N3 O9 -","3","0.166667","","Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S.","High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation.","The journal of physical chemistry letters","2019","","","6650","6655","10.1021/acs.jpclett.9b02875","","","0.71073","MoKα","","0.0188","0.0188","","","0.0436","0.0436","","","","","","0.972","","","","has coordinates","219627","2020-10-21","18:00:00",""
"8000283","8.4617","0.0006","8.4617","0.0006","11.6938","0.0014","90","","90","","120","","725.11","0.11","435","2","435","2","","","","","","","","30","R -3 m :H","-R 3 2""","166","","","","- C54 H0 Br3 N6 O36 Th Z at2 ca2 de di e3 ed2 er in is lc ll lu of rd se so th ua ul us va vi y -","- C54 Br3 N6 O36 -","- C54 Br3 N6 O36 -","1","0.0277778","","Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S.","High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation.","The journal of physical chemistry letters","2019","","","6650","6655","10.1021/acs.jpclett.9b02875","","","0.71073","MoKα","","0.1119","0.1115","","","0.263","0.2634","","","","","","1.301","","","","has coordinates,has disorder","219628","2020-10-21","18:00:00",""
"8000284","10.8426","0.0005","21.9098","0.0011","11.8473","0.0006","90","","106.849","0.001","90","","2693.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 B F2 N3 S -","- C31 H30 B F2 N3 S -","- C124 H120 B4 F8 N12 S4 -","4","1","","Sansalone, Lorenzo; Zhang, Yang; Mazza, Mercedes M. A.; Davis, Janel L.; Song, Ki-Hee; Captain, Burjor; Zhang, Hao F.; Raymo, Françisco M","High-Throughput Single-Molecule Spectroscopy Resolves the Conformational Isomers of BODIPY Chromophores.","The journal of physical chemistry letters","2019","","","6807","6812","10.1021/acs.jpclett.9b02250","","","0.71073","MoKα","","0.053","0.0402","","","0.0872","0.0935","","","","","","1.024","","","","has coordinates","219629","2020-10-21","18:00:00",""
"8000285","21.349","0.0009","5.8099","0.0002","31.5108","0.0013","90","","109.762","0.004","90","","3678.3","0.3","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 N2 O -","- C54 H34 N2 O -","- C216 H136 N8 O4 -","4","1","","Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang","Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet.","The journal of physical chemistry letters","2019","","","6878","6884","10.1021/acs.jpclett.9b02751","","x-ray","1.54184","CuKα","","0.0768","0.0674","","","0.1795","0.1897","","","","","","1.031","","","","has coordinates","219630","2020-10-21","18:00:00",""
"8000286","9.5474","0.0003","13.5232","0.0004","13.8528","0.0004","96.265","0.002","101.881","0.002","94.046","0.002","1731.81","0.09","100","0.9","100","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 N2 O -","- C50 H32 N2 O -","- C100 H64 N4 O2 -","2","1","","Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang","Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet.","The journal of physical chemistry letters","2019","","","6878","6884","10.1021/acs.jpclett.9b02751","","x-ray","1.54184","CuKα","","0.0585","0.0508","","","0.1328","0.1384","","","","","","1.072","","","","has coordinates,has disorder","219631","2020-10-21","18:00:00",""
"8000287","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0257","0.0257","","0.0307","0.0307","0.0824","","","3.0967","3.0967","3.0967","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000288","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0173","0.0173","","0.0153","0.0153","0.0824","","","1.5629","1.5629","1.5629","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000289","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0178","0.0178","","0.0162","0.0162","0.0824","","","1.659","1.659","1.659","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000290","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0245","0.0245","","0.0297","0.0297","0.061","","","2.4429","2.4429","2.4429","","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000291","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0161","0.0161","","0.0153","0.0153","0.061","","","1.2718","1.2718","1.2718","1.078","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000292","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-Ala_HAR-ELMO_12K","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0167","0.0167","","0.0162","0.0162","0.061","","","1.3447","1.3447","1.3447","1.078","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000293","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0258","0.0258","","0.0295","0.0295","0.0647","","","2.1406","2.1406","2.1406","","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000294","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0179","0.0179","","0.0167","0.0167","0.0647","","","1.2239","1.2239","1.2239","1.037","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000295","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0187","0.0187","","0.0179","0.0179","0.0647","","","1.3097","1.3097","1.3097","1.037","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000296","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0299","0.0299","","0.0298","0.0298","0.0746","","","2.739","2.739","2.739","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000297","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0193","0.0193","","0.0153","0.0153","0.0746","","","1.4226","1.4226","1.4226","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000298","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0206","0.0206","","0.0167","0.0167","0.0746","","","1.5517","1.5517","1.5517","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000299","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0251","0.0251","","0.0291","0.0291","0.0642","","","3.0926","3.0926","3.0926","1.095","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000300","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0161","0.0161","","0.0142","0.0142","0.0642","","","1.5282","1.5282","1.5282","","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000301","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0168","0.0168","","0.0154","0.0154","0.0642","","","1.6507","1.6507","1.6507","","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000302","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0446","0.0446","","0.053","0.053","","","","3.1979","3.1979","3.1979","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000303","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0436","0.0436","","0.0522","0.0522","","","","3.1469","3.1469","3.1469","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000304","14.002","","4.879","","15.1","","75.234","","75.88","","78.894","","957.957","","100","2","100","2","","","","","","","","4","P 1","P 1","1","HUMAN PRION PEPTIDE, RESIDUES 170-175","","","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","- C29 H52 N10 O17 -","1","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.8856","synchrotron","","0.0474","0.0474","","0.0572","0.0572","","","","3.4515","3.4515","3.4515","","","","","has coordinates,has disorder","220568","2020-10-21","18:00:00",""
"8000305","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0703","0.0703","","0.0833","0.0833","","","","2.21","2.21","2.21","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000306","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0715","0.0715","","0.0843","0.0843","","","","2.2369","2.2369","2.2369","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000307","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0618","0.0618","","0.0776","0.0776","","","","2.7385","2.7385","2.7385","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000308","40.824","","18.498","","22.371","","90","","90.47","","90","","16893.2","","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Crambine","","","- C202 H315 N55 O64 S6 -","- C202 H315 N55 O64 S6 -","- C404 H630 N110 O128 S12 -","2","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.54","synchrotron","","0.0624","0.0624","","0.0785","0.0785","","","","2.7698","2.7698","2.7698","","","","","has coordinates,has disorder","220569","2020-10-21","18:00:00",""
"8000309","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0269","0.0269","","0.0295","0.0295","0.065","","","4.1247","4.1247","4.1247","","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000310","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0198","0.0198","","0.0149","0.0149","0.065","","","2.0966","2.0966","2.0966","1.113","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000311","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0204","0.0204","","0.0164","0.0164","0.065","","","2.2979","2.2979","2.2979","1.113","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000312","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0284","0.0284","","0.0317","0.0317","0.0694","","","2.28","2.28","2.28","","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000313","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.0163","0.0163","0.0694","","","1.1829","1.1829","1.1829","1.071","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000314","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0204","0.0204","","0.0178","0.0178","0.0694","","","1.2913","1.2913","1.2913","1.071","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000315","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0279","0.0279","","0.033","0.033","0.0739","","","2.6228","2.6228","2.6228","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000316","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0202","0.0202","","0.0222","0.0222","0.0739","","","1.7754","1.7754","1.7754","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000317","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.021","0.021","","0.0235","0.0235","0.0739","","","1.877","1.877","1.877","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000318","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.0557","0.0557","","0.0337","0.0337","","","","1.0304","1.0304","1.0304","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000319","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.0423","0.0423","","0.0232","0.0232","","","","0.7104","0.7104","0.7104","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000320","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.043","0.043","","0.0242","0.0242","","","","0.7383","0.7383","0.7383","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000321","15.7708","0.0004","18.1452","0.0005","20.416","0.0006","75.089","0.002","68.707","0.003","78.676","0.002","5225.7","0.3","123","0.19","123","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Cl Ir N6 -","- C60 H56 Cl Ir N6 -","- C240 H224 Cl4 Ir4 N24 -","4","2","","Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N.","Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design.","The journal of physical chemistry letters","2019","","","7015","7024","10.1021/acs.jpclett.9b03002","","x-ray","1.54184","CuKα","","0.0421","0.0364","","","0.0941","0.0985","","","","","","1.038","","","","has coordinates,has disorder","222182","2020-10-21","18:00:00",""
"8000322","14.7346","0.0002","14.9699","0.0003","23.4455","0.0003","74.694","0.001","79.203","0.001","80.84","0.001","4866.79","0.14","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C99 H96 Cl2 Ir2 N10 O3 -","- C99 H96 Cl2 Ir2 N10 O3 -","- C198 H192 Cl4 Ir4 N20 O6 -","2","1","","Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N.","Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design.","The journal of physical chemistry letters","2019","","","7015","7024","10.1021/acs.jpclett.9b03002","","x-ray","1.54184","CuKα","","0.0331","0.028","","","0.0677","0.0714","","","","","","1.074","","","","has coordinates,has disorder","222184","2020-10-21","18:00:00",""
"8000323","7.7534","0.0014","6.1617","0.001","11.687","0.0017","90","","100.352","0.015","90","","549.25","0.16","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 -","- C14 H14 -","- C28 H28 -","2","0.5","","Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong","Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence.","The journal of physical chemistry letters","2019","","","7077","7085","10.1021/acs.jpclett.9b02752","","","0.71073","MoKα","","0.1153","0.0739","","","0.1753","0.2212","","","","","","1.038","","","","has coordinates","223433","2020-10-21","18:00:00",""
"8000324","5.5945","0.0006","6.5367","0.0005","11.7666","0.0009","102.817","0.007","100.053","0.008","102.883","0.008","397.49","0.07","199.99","0.11","199.99","0.11","","","","","","","","2","P -1","-P 1","2","","","","- C20 H26 -","- C20 H26 -","- C20 H26 -","1","0.5","","Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong","Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence.","The journal of physical chemistry letters","2019","","","7077","7085","10.1021/acs.jpclett.9b02752","","x-ray","0.71073","MoKα","","0.0679","0.0527","","","0.1444","0.1583","","","","","","1.002","","","","has coordinates","223434","2020-10-21","18:00:00",""
"8000325","5.124","0.003","5.124","0.003","9.039","0.005","90","","90","","90","","237.3","0.2","295","2","295.15","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C H6 I N -","- C H6 I N -","- C2 H12 I2 N2 -","2","0.125","","Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F.","Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds.","The journal of physical chemistry letters","2019","10","22","7245","7250","10.1021/acs.jpclett.9b02972","","","0.71073","MoKα","","0.0399","0.037","","","0.0952","0.0976","","","","","","1.16","","","","has coordinates,has disorder","246581","2020-10-21","18:00:00",""
"8000326","9.0182","0.0002","24.4582","0.0005","8.5723","0.0002","90","","116.569","0.003","90","","1691.11","0.08","100","0.02","100","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","caffeine:3-hydroxy-2-naphthoic acid","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0582","0.0467","","","0.1195","0.1247","","","","","","1.066","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000327","9.0479","0.0003","24.4512","0.0006","8.63","0.0003","90","","116.789","0.004","90","","1704.32","0.11","150","0.02","150","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0721","0.0511","","","0.1309","0.1404","","","","","","1.041","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000328","9.0743","0.0003","24.4428","0.0006","8.6752","0.0003","90","","117.006","0.004","90","","1714.36","0.11","200","0.02","200","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1422","0.1536","","","","","","1.022","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000329","9.0145","0.0002","24.45","0.0005","8.565","0.0002","90","","116.585","0.003","90","","1688.17","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.057","0.034","","","","0.065","","","","","","1.366","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000330","7.3987","0.0002","7.8597","0.0002","13.983","0.0003","79.178","0.002","76.444","0.002","67.127","0.003","724.07","0.04","100","0.02","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0415","0.0362","","","0.097","0.1","","","","","","1.063","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000331","7.4335","0.0003","7.8619","0.0003","14.0401","0.0004","78.971","0.003","76.114","0.003","67.082","0.003","729.26","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0489","0.0405","","","0.1076","0.1128","","","","","","1.061","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000332","7.45886","0.00019","7.8664","0.0002","14.0846","0.0003","78.745","0.002","75.831","0.002","67.053","0.003","733.24","0.03","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0474","0.0393","","","0.1084","0.1131","","","","","","1.074","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000333","7.4144","0.0001","7.8692","0.0002","13.9978","0.0002","79.205","0.002","76.448","0.002","67.097","0.002","727.15","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","caffeine:3,5-pyrazoledicarboxylic acid","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.034","0.023","","","","0.053","","","","","","1.116","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000334","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0968","0.0582","","","0.1222","0.1382","","","","","","1.075","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000335","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0917","0.0537","","","0.1073","0.1212","","","","","","1.093","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000336","6.79266","0.00012","7.42265","0.00013","20.4135","0.0003","93.5078","0.0014","99.2464","0.0014","90.7721","0.0014","1013.68","0.03","100","0.02","100","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.1046","0.1093","","","","","","1.025","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000337","6.80954","0.00016","7.4556","0.0002","20.4333","0.0005","93.733","0.002","99.374","0.002","90.457","0.002","1021.18","0.04","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0594","0.045","","","0.1197","0.1305","","","","","","1.027","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000338","6.8289","0.0002","7.4919","0.0002","20.4608","0.0005","94.001","0.002","99.524","0.003","90.156","0.003","1029.75","0.05","200","0.02","200","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0714","0.0487","","","0.1303","0.1418","","","","","","1.048","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000339","6.7952","0.0001","7.4236","0.0001","20.4083","0.0002","93.501","0.001","99.23","0.001","90.718","0.001","1014.01","0.02","100","2","100.01","0.13","","","","","","","","5","P -1","-P 1","2","theophylline:2,5-diflurobenzoic acid","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.048","0.026","","","","0.05","","","","","","1.085","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000340","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2262","0.0823","","","0.0957","0.127","","","","","","1.077","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000341","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2277","0.0846","","","0.1004","0.1327","","","","","","1.086","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000342","3.80841","0.00013","8.3454","0.0003","8.5998","0.0003","81.922","0.003","80.362","0.003","85.796","0.003","266.446","0.016","100","0.02","100","0.02","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0407","0.0359","","","0.1064","0.1097","","","","","","1.065","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000343","3.84026","0.00019","8.3386","0.0004","8.6155","0.0005","82.02","0.004","80.617","0.004","86.006","0.004","269.25","0.02","150","0.02","150","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0434","0.0383","","","0.1161","0.1194","","","","","","1.067","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000344","3.87078","0.00013","8.3374","0.0003","8.6101","0.0003","82.173","0.003","80.895","0.003","86.179","0.003","271.521","0.017","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0542","0.0456","","","0.1383","0.1454","","","","","","1.051","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000345","3.8078","0.0001","8.3463","0.0002","8.5971","0.0003","81.918","0.002","80.381","0.002","85.89","0.002","266.383","0.013","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.044","","","","","","1.171","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000346","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.12","0.0778","","","0.1703","0.1924","","","","","","1.102","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000347","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.1044","0.0625","","","0.1432","0.1616","","","","","","1.196","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000391","34.557","0.003","22.3796","0.0019","32.859","0.003","90","","90","","90","","25412","4","160","","160","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C216 H144 Cu25 F36 P12 -","- C216 H144 Cu25 F36 P12 -","- C864 H576 Cu100 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1692","0.0956","","","0.2458","0.2819","","","","","","0.984","","","","has coordinates","236666","2020-10-21","18:00:00",""
"8000392","34.5313","0.0012","22.4275","0.0009","32.5487","0.0014","90","","90","","90","","25207.4","1.7","170","","170","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C216 H144 Au Cu24 F36 P12 -","- C216 H144 Au Cu24 F36 P12 -","- C864 H576 Au4 Cu96 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1369","0.0758","","","0.1897","0.2154","","","","","","0.94","","","","has coordinates","236668","2020-10-21","18:00:00",""
"8000393","33.383","0.0009","38.6374","0.0011","39.1118","0.001","90","","90","","90","","50448","2","161","","161","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C216 H180 Au Cu24 P12 -","- C216 H180 Au Cu24 P12 -","- C1728 H1440 Au8 Cu192 P96 -","8","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1036","0.0534","","","0.1259","0.1428","","","","","","0.97","","","","has coordinates","236670","2020-10-21","18:00:00",""
"8000394","35.5019","0.0005","16.1885","0.0002","33.0801","0.0005","90","","112.283","0.002","90","","17592.1","0.5","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C202 H181 N10 S -","- C202 H180.994 N10 S1.0064 -","- C808 H723.974 N40 S4.0256 -","4","0.5","","Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang","Polarized Species in an Organic Semiconductor Laser.","The journal of physical chemistry letters","2019","10","24","7905","7909","10.1021/acs.jpclett.9b03198","","x-ray","1.54184","CuKα","","0.0568","0.0516","","","0.1528","0.1575","","","","","","1.031","","","","has coordinates,has disorder","246580","2020-10-21","18:00:00",""
"8104545","6.3373","0.0002","6.9892","0.0002","9.3457","0.0003","90","","90","","90","","413.95","0.02","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","Hibbingite","","","- Cl Fe2 H3 O3 -","- Cl Fe2 H3 O3 -","- Cl4 Fe8 H12 O12 -","4","0.5","","Natalia V. Zubkova; Igor V. Pekov; Evgeny V. Sereda; Vasiliy O. Yapaskurt; Dmitry Yu. Pushcharovsky","The crystal structure of hibbingite, orthorhombic Fe2Cl(OH)3","Zeitschrift fur Kristallographie","2019","234","","379","382","10.1515/zkri-2018-2124","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0417","0.0429","","","","","","1.047","","","","has coordinates","250400","2020-10-21","18:00:00",""
"8104995","7.1284","0.0003","8.5538","0.0005","18.7089","0.001","90","","99.76","0.002","90","","1124.26","0.1","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl N O9 -","- C8 H10 Cl N O9 -","- C32 H40 Cl4 N4 O36 -","4","1","","Cai, Bin; Li, Shu-Jing; Zhu, Meng-En; Li, Meng-Qi; Meng, Yuning","The crystal structure of 3,5-dicarboxybenzenaminium perchlorate monohydrate, C8H8ClNO9","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","1","2","10.1515/ncrs-2019-0358","","","0.71073","MoKα","","0.0424","0.0381","","","0.0982","0.1031","","","","","","1.0672","","","","has coordinates","274208","2022-04-01","09:02:27",""
"8104996","4.7134","0.0004","15.4354","0.0013","12.0064","0.0009","90","","98.942","0.008","90","","862.89","0.12","292.67","0.1","292.67","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Br O4 Zn -","- C8 H3 Br O4 Zn -","- C32 H12 Br4 O16 Zn4 -","4","1","","Chang, Xin-Hong","The crystal structure of poly[(m4-4-bromoisophthalato-κ4O: O′:O′′:O′′′)zinc(II)], C8H3BrO4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","3","4","10.1515/ncrs-2019-0397","","x-ray","0.71073","MoKα","","0.0544","0.0445","","","0.1113","0.1193","","","","","","1.0371","","","","has coordinates","274209","2022-04-01","09:06:47",""
"8104997","12.662","0.002","5.2782","0.0008","14.841","0.002","90","","94.103","0.003","90","","989.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N3 O S -","- C8 H8 Cl N3 O S -","- C32 H32 Cl4 N12 O4 S4 -","4","1","","Li, Xia; Liu, Shangjun; Yan, Weihong; Shen, Mingle; Xue, Chaohui","Crystal structure of (E)-2-(2-chloro-6-hydroxybenzylidene)hydrazine-1-carbothioamide, C8H8ClN3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","5","6","10.1515/ncrs-2019-0410","","","0.71073","MoKα","","0.0402","0.0317","","","0.1068","0.1232","","","","","","1.036","","","","has coordinates","274297","2022-04-04","07:17:22",""
"8104998","14.975","0.003","9.897","0.002","13.525","0.003","90","","105.507","0.003","90","","1931.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F12 N4 P2 -","- C11 H18 F12 N4 P2 -","- C44 H72 F48 N16 P8 -","4","1","","Xiong, Wan-Ming; Chen, Jing; Zhao, Wen; Zhou, Yao-Hong; Jing, Chen; Nie, Xu-Liang","Crystal structure of 1,1′-methylenebis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate(V)), C11H18F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","7","9","10.1515/ncrs-2019-0430","","","0.71073","MoKα","","0.0951","0.059","","","0.154","0.1843","","","","","","1.052","","","","has coordinates,has disorder","274298","2022-04-04","07:25:08",""
"8104999","8.149","0.0008","17.0301","0.0015","16.8649","0.0014","90","","101.629","0.003","90","","2292.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl2 Cu N12 -","- C36 H58 Cl2 Cu N12 -","- C72 H116 Cl4 Cu2 N24 -","2","0.5","","Cheng, Miao; Cheng, Shuang","The crystal structure of hexakis(1-isopropyl-1H-imidazole-κ1N)copper(II) dichloride, C36H58Cl2CuN12","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","11","13","10.1515/ncrs-2019-0432","","","0.71073","MoKα","","0.0717","0.0419","","","0.0988","0.1121","","","","","","0.994","","","","has coordinates","274299","2022-04-04","07:29:35",""
"8105000","13.1152","0.0004","13.1152","0.0004","14.2497","0.0006","90","","90","","90","","2451.07","0.15","293.2","0.3","293.2","0.3","","","","","","","","6","I -4","I -4","82","","","","- C19 H10 Cl6 Co N3 O6 -","- C19 H10 Cl6 Co N3 O6 -","- C76 H40 Cl24 Co4 N12 O24 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia; Bai, Ruo-Fei","Crystal structure of catena-poly[μ2-4,4′-bipyridine-κ2N:N′)-tetrakis(μ2-2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κ2O:O′)dicobalt(II)], C19H10Cl6CoN3O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","15","17","10.1515/ncrs-2019-0434","","x-ray","0.71073","MoKα","","0.0396","0.0359","","","0.082","0.0843","","","","","","1.048","","","","has coordinates","274300","2022-04-04","07:35:03",""
"8105001","10.9311","0.0008","3.9554","0.0003","16.5215","0.0012","90","","92.743","0.002","90","","713.52","0.09","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C32 H30 Br2 N4 O4 -","2","1","","Ma, Jin-Xia; Wei, Ping; Li, Qing-Lin; Fu, Tao; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-(4-(((E)-2-bromo-6-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","19","20","10.1515/ncrs-2019-0435","","","0.71073","MoKα","","0.046","0.0335","","","0.0614","0.0655","","","","","","1","","","","has coordinates","274301","2022-04-04","07:39:42",""
"8105002","7.2345","0.0018","10.842","0.003","11.573","0.003","69.174","0.004","77.335","0.004","79.555","0.004","822.5","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C36 H42 N2 O6 S2 -","2","1","","Luo, Han-Sheng; Liu, Yao","Crystal structure of ethyl 2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H21NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","21","22","10.1515/ncrs-2019-0436","","","0.71073","MoKα","","0.0528","0.0471","","","0.1335","0.1419","","","","","","1.114","","","","has coordinates","274303","2022-04-04","08:02:04",""
"8105003","12.3735","0.0008","20.869","0.0011","6.8385","0.0006","90","","90","","90","","1765.9","0.2","293","2","293","2","","","","","","","","4","A e a m","-A 2 2ab","64","","","","- C3.5 H3 Br0.5 N2.5 -","- C3.5 H3 Br0.5 N2.5 -","- C56 H48 Br8 N40 -","16","1","","Tang, Hang-Jun; Xu, Yang-Rong; Wang, Xiao-Hui; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of 5-bromo-2-(1-methyl-1H-tetrazol-5-yl)pyridine, C7H6BrN5","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","23","25","10.1515/ncrs-2019-0442","","x-ray","0.71073","MoKα","","0.0757","0.0471","","","0.1026","0.1152","","","","","","1.036","","","","has coordinates,has disorder","274304","2022-04-04","08:05:23",""
"8105004","7.7547","0.0016","7.8666","0.0016","8.2798","0.0017","90.46","0.03","96.24","0.03","93.25","0.03","501.24","0.18","310","","310","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 Ni O4 -","- C18 H26 N4 Ni O4 -","- C18 H26 N4 Ni O4 -","1","0.5","","Li, Zhuang-Yu; Liu, E.; Jian, Fang-fang; Liang, Tong-ling","Crystal structure of Bis(acetato-κ2O,O′)-bis[4-(dimethylamino)pyridine-κN]nickel(II), C18H26N4NiO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","27","28","10.1515/ncrs-2019-0443","","","0.71073","MoKα","","0.0301","0.0294","","","0.0867","0.0873","","","","","","1.0643","","","","has coordinates","274305","2022-04-04","08:21:41",""
"8105005","21.039","0.006","4.0172","0.0012","14.561","0.004","90","","97.849","0.005","90","","1219.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Song, Wei; Yang, Yanju","Crystal structure of (E)-3-chloro-2-(((4-chlorophenyl)imino)methyl)phenol, C13H9Cl2NO","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","29","30","10.1515/ncrs-2019-0444","","","0.71073","MoKα","","0.0509","0.0378","","","0.1023","0.1211","","","","","","1.035","","","","has coordinates","274306","2022-04-04","08:26:37",""
"8105006","16.167","0.003","9.3424","0.0019","25.656","0.005","90","","108.27","0.03","90","","3679.7","1.4","153","2","153.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C160 H232 N8 O24 -","8","4","","Gong, Xiao F.; Song, Tao; Ning, Li F.; Chen, Xiao F.; Xu, Juan; Li, Peng; Gou, Ying Z.; Wang, Hui P.","The co-crystal structure of (17b)-estra-1,3,5(10)-triene-3,17diol – acetamide (1/1), a Z′ = 4 structure, C20H29NO3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","31","34","10.1515/ncrs-2019-0451","","","0.71073","MoKα","","0.1104","0.103","","","0.224","0.2296","","","","","","1.067","","","","has coordinates","274307","2022-04-04","08:32:15",""
"8105007","9.2062","0.0006","11.5258","0.0007","11.5263","0.0007","90","","90","","90","","1223.04","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","","Zhang, Qi-Long; Xie, Hai-Fang; Yu, Qing; Yang, Xiao-Sheng","Crystal structure of 3-(3-(pyridin-3-yl)ureido)benzoic acid, C13H11N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","35","36","10.1515/ncrs-2019-0454","","","0.71073","MoKα","","0.0461","0.0377","","","0.0961","0.1006","","","","","","1.042","","","","has coordinates","274308","2022-04-04","08:36:39",""
"8105008","12.395","0.004","16.63","0.006","26.899","0.01","90","","90.395","0.007","90","","5545","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F12 N5 P2 -","- C24 H27 F12 N5 P2 -","- C192 H216 F96 N40 P16 -","8","2","","Shilu, Zhang; Bo, Zhao; Jiewei, Luo","The crystal structure of 1,1′-(9-ethyl-9H-carbazole-3,6-diyl)bis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate(IV)), C24H27N5F12P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","37","39","10.1515/ncrs-2019-0456","","","0.71073","MoKα","","0.0785","0.065","","","0.1557","0.1651","","","","","","1.101","","","","has coordinates","274310","2022-04-04","08:39:53",""
"8105009","4.8161","0.0003","7.3727","0.0005","12.123","0.0007","81.004","0.003","78.897","0.003","72.829","0.003","401.3","0.04","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 Br O4 -","- C8 H5 Br O4 -","- C16 H10 Br2 O8 -","2","1","","Li, Shu-Jing; Li, Ke; Li, Yi-Wen","The crystal structure of 2-bromoisophthalic acid, C8H5BrO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","41","42","10.1515/ncrs-2019-0457","","","0.71073","MoKα","","0.0252","0.0201","","","0.0459","0.0479","","","","","","1.0379","","","","has coordinates","274311","2022-04-04","08:44:35",""
"8105010","17.0104","0.0015","8.6786","0.0007","20.4283","0.0018","90","","93.977","0.001","90","","3008.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cl N2 O3 S -","- C14 H15 Cl N2 O3 S -","- C112 H120 Cl8 N16 O24 S8 -","8","1","","Cui, Chuansheng; Zhang, Haichao; Gu, Xiaoyu","The crystal structure of 13-ethoxycarbonyl-9-methyl-4-chlor-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene, C14H15ClN2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","43","44","10.1515/ncrs-2019-0459","","","0.71073","MoKα","","0.0556","0.0363","","","0.0841","0.0937","","","","","","1.013","","","","has coordinates","274312","2022-04-04","08:59:40",""
"8105011","10.677","0.004","11.325","0.004","21.53","0.008","88.026","0.005","75.646","0.005","71.504","0.004","2389","1.5","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H29 N3 -","- C29 H29 N3 -","- C116 H116 N12 -","4","2","","Liu, Yue; Yang, Zhou-Hua; Ni, Jian-Jun; Liu, Zhaod-Di","The crystal structure of (E)-4-((4-(diethylamino)benzylidene)amino)-N,N-diphenylaniline, C29H29N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","45","47","10.1515/ncrs-2019-0461","","","0.71073","MoKα","","0.1219","0.0663","","","0.1655","0.2002","","","","","","1.025","","","","has coordinates","274313","2022-04-04","09:03:28",""
"8105012","6.9263","0.0004","10.0832","0.0007","17.3531","0.001","75.708","0.005","87.142","0.005","74.935","0.006","1133.92","0.13","289.36","0.1","289.36","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C54 H54 N6 O4 -","2","1","","Feng, Aiqing; Lv, Bin","Crystal structure of 2-(3-(2-(4-phenylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C27H27N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","49","51","10.1515/ncrs-2019-0463","","x-ray","0.71073","MoKα","","0.08","0.0605","","","0.1488","0.1661","","","","","","1.0262","","","","has coordinates","274314","2022-04-04","09:06:49",""
"8105013","19.779","0.009","5.332","0.002","18.945","0.008","90","","94.572","0.006","90","","1991.6","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Wenhui, Su; Dayong, Tian; Zhichao, Yu; Liguo, Yang; Yongsheng, Niu","Crystal structure of 2-ethoxy-6-((E)-((3-(((E)-3-ethoxy-2-hydroxybenzylidene)amino)-2-hydroxypropyl)iminio)methyl)phenolate, C21H26N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","53","54","10.1515/ncrs-2019-0468","","","0.71073","MoKα","","0.069","0.0425","","","0.1017","0.1179","","","","","","1.07","","","","has coordinates","274315","2022-04-04","09:09:37",""
"8105014","13.1205","0.0004","13.1205","0.0004","14.2717","0.0006","90","","90","","90","","2456.84","0.15","293.2","0.3","293.2","0.3","","","","","","","","6","I -4","I -4","82","","","","- C19 H10 Cl6 N3 Ni O6 -","- C19 H10 Cl6 N3 Ni O6 -","- C76 H40 Cl24 N12 Ni4 O24 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia; Bai, Ruo-Fei","The crystal structure of catena-poly(μ2-4,4′-bipyridine-κ2N:N′)-tetrakis(μ2-2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κ2O:O′)dinickel(II)], C19H10Cl6N3NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","55","56","10.1515/ncrs-2019-0470","","x-ray","0.71073","MoKα","","0.0452","0.0384","","","0.0701","0.0756","","","","","","1.048","","","","has coordinates","274316","2022-04-04","09:13:43",""
"8105015","9.9928","0.0014","10.1374","0.0014","14.2362","0.0019","71.71","0.002","76.166","0.002","71.086","0.002","1280.1","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","tetra-(1,10-phenanthroline-N,N') octa-(azido-N) tetra-zinc(II)","","- C48 H32 N32 Zn4 -","- C48 H32 N32 Zn4 -","- C48 H32 N32 Zn4 -","1","0.5","","Feng, Yu-Quan; Zhong, Zhi-Guo; Yue, Zi-Long","Crystal structure of hexakis(μ2-azido-κ2N:N)-diazido-κ1N-tetrakis(phenanthroline-κ2N,N′)tetrazinc(II), C48H32N32Zn4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","57","58","10.1515/ncrs-2019-0473","","","0.71073","MoKα","","0.0466","0.0314","","","0.073","0.0795","","","","","","1.0249","","","","has coordinates","274317","2022-04-04","09:17:39",""
"8105016","30.281","0.003","8.9971","0.0008","13.905","0.0013","90","","107.053","0.005","90","","3621.7","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Br2 Cl4 Co N4 O4 -","- C34 H32 Br2 Cl4 Co N4 O4 -","- C136 H128 Br8 Cl16 Co4 N16 O16 -","4","0.5","","Fu, Tao; Ma, Jin-Xia; Wei, Ping; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of bis{2-bromo-6-(((4-(1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2N,O}cobalt(II)–dichloromethane(1/1), C34H32Br2Cl4CoN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","59","60","10.1515/ncrs-2019-0474","","","0.71073","MoKα","","0.1288","0.0648","","","0.1325","0.1629","","","","","","1.049","","","","has coordinates","274318","2022-04-04","09:21:49",""
"8105017","7.401","0.003","12.005","0.005","13.808","0.005","90","","90","","90","","1226.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Song, Wei; Yang, Yanju; Li, Jin","Crystal structure of (E)-3-chloro-2-(((4-nitrophenyl)imino)methyl)phenol, C13H9ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","61","62","10.1515/ncrs-2019-0476","","","0.71073","MoKα","","0.1071","0.0673","","","0.1375","0.1473","","","","","","1.024","","","","has coordinates","274319","2022-04-04","09:24:58",""
"8105018","15.43","0.0003","10.6264","0.0002","11.4638","0.0002","90","","90","","90","","1879.67","0.06","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H16 Br2 N2 O7 Zn -","- C14 H16 Br2 N2 O7 Zn -","- C56 H64 Br8 N8 O28 Zn4 -","4","1","","Li, Jun-Xia; Du, Zhong-Xiang; Bai, Ruo-Fei","Crystal structure of aqua-bis(5-bromo-6-methyl-picolinato-κ2N,O)zinc(II) dihydrate, C14H16Br2N2O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","63","65","10.1515/ncrs-2019-0486","","","0.71073","MoKα","","0.0454","0.0328","","","0.0667","0.0709","","","","","","1.054","","","","has coordinates","274320","2022-04-04","09:28:10",""
"8105019","12.7175","0.001","10.678","0.001","15.0802","0.0016","90","","96.786","0.009","90","","2033.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 Ni O10 -","- C19 H15 N3 Ni O10 -","- C76 H60 N12 Ni4 O40 -","4","1","","Jiang, Jin-Ke; Yang, Ying-Wen; Jiang, Hui","Crystal structure of biaqua(2,2′-bipyridine-4,4′-dicarboxylato-κ2N,N′)(pyridine-2,6-dicarboxylato-κ3O,N,O′)nickel(II) hydrate, C19H15N3NiO10","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","67","68","10.1515/ncrs-2019-0490","","","0.71073","MoKα","","0.0491","0.0358","","","0.0884","0.096","","","","","","1.063","","","","has coordinates","274321","2022-04-04","09:31:44",""
"8105020","9.5132","0.0005","13.0781","0.0006","14.0448","0.0006","63.095","0.001","73.564","0.001","78.87","0.002","1490.24","0.12","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 F2 N4 O5 Zn -","- C33 H32 F2 N4 O5 Zn -","- C66 H64 F4 N8 O10 Zn2 -","2","1","","Zhao, Ji-Xing","Synthesis and crystal structure of bis(2-(((4-(1-(ethoxyimino)ethyl)phenyl)imino)methyl)-5-fluorophenolato-κ2N,O)zinc(II) - methanol (1/1), C33H32F2N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","69","71","10.1515/ncrs-2019-0491","","","0.71073","MoKα","","0.0776","0.0459","","","0.0884","0.1004","","","","","","1.043","","","","has coordinates","274322","2022-04-04","09:34:43",""
"8105021","29.642","0.004","6.2241","0.0004","21.667","0.002","90","","108.592","0.013","90","","3788.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N3 Ni O6 S -","- C18 H17 N3 Ni O6 S -","- C144 H136 N24 Ni8 O48 S8 -","8","1","","Chang, Xin-Hong; Zhai, Zhi-Min; Lu, Xiao-Min","Crystal structure of tetraaqua-bis(μ2-5-aminoisophthalato-κ3N:O,O′)-bis(4,4′-dipyridylsulfide-κ1N)dizinc(II), C36H34N6O12S2Ni2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","73","75","10.1515/ncrs-2019-0492","","x-ray","0.71073","MoKα","","0.1392","0.0907","","","0.143","0.1605","","","","","","1.188","","","","has coordinates","274323","2022-04-04","09:37:59",""
"8105022","8.9786","0.0009","8.3191","0.0009","11.9489","0.0012","90","","94.772","0.003","90","","889.42","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) tetracyanonickelate(II)","","- C14 H24 N8 Ni Pd -","- C14 H24 N8 Ni Pd -","- C28 H48 N16 Ni2 Pd2 -","2","0.5","","Ha, Kwang","Crystal structure of (1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)palladium(II) tetracyanonickelate(II), C14H24N8NiPd","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","77","78","10.1515/ncrs-2019-0497","","","0.71073","MoKα","","0.0191","0.0161","","","0.0375","0.0401","","","","","","1.103","","","","has coordinates","274324","2022-04-04","09:41:25",""
"8105023","18.0589","0.0018","12.51","0.0009","13.3659","0.0012","90","","124.522","0.007","90","","2487.9","0.4","113","2","113","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 F6 N3 O P -","- C27 H24 F6 N3 O P -","- C108 H96 F24 N12 O4 P4 -","4","1","","Jiewei, Luo; Shilu, Zhang; Yiming, Liu; Bo, Zhao","The crystal structure of 3-benzyl-1-((8-(benzyloxy)quinolin-2-yl)methyl)-1H-imidazol-3-ium hexafluorophosphate, C27H24N3OF6P","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","79","80","10.1515/ncrs-2019-0498","","","0.71073","MoKα","","0.0609","0.0437","","","0.1076","0.1141","","","","","","0.967","","","","has coordinates","274335","2022-04-05","08:01:07",""
"8105024","13.3204","0.0007","7.2517","0.0004","18.5627","0.0009","90","","90","","90","","1793.07","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Cl I O2 -","- C8 H6 Cl I O2 -","- C64 H48 Cl8 I8 O16 -","8","1","","Mphahlele, Malose J.","Crystal structure of 1-(4-chloro-2-hydroxy-5-iodophenyl)ethan-1-one, C8H6ClIO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","81","83","10.1515/ncrs-2019-0504","","x-ray","0.71073","MoKα","","0.0222","0.0195","","","0.0471","0.0483","","","","","","1.101","","","","has coordinates","274336","2022-04-05","08:03:58",""
"8105025","6.1988","0.0003","7.1103","0.0004","38.7135","0.0004","90","","91.519","0.003","90","","1705.71","0.13","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Magnesium (II) 4-[[(4-dimethylamino)phenyl]-azo]benzenesulfonate hexahydrate","","- C28 H40 Mg N6 O12 S2 -","- C28 H40 Mg N6 O12 S2 -","- C56 H80 Mg2 N12 O24 S4 -","2","0.5","","Park, Garam; Oh, In-Hwan; Park, Seong-Hun","Crystal structure of hexaaquamagnesium(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MgN6O12S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","85","86","10.1515/ncrs-2019-0509","","x-ray","0.71073","MoKα","","0.0884","0.036","","","0.0612","0.0755","","","","1.39","1.39","1.27","","","","has coordinates","274337","2022-04-05","08:13:29",""
"8105026","10.4368","0.0003","15.1527","0.0005","12.9007","0.0003","90","","101.9","0.003","90","","1996.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O7 Zn -","- C20 H17 N3 O7 Zn -","- C80 H68 N12 O28 Zn4 -","4","1","","Liu, Guang-Zhen; Ma, Lu-Ping; Jia, Ru","Crystal structure of the coordination polymer catena-poly[(1,2-di(pyridin-4-yl)ethane-κN)-(μ2-2-nitroisophthalato-κ2O:O′)zinc(II)], C20H17N3O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","87","89","10.1515/ncrs-2019-0510","","x-ray","0.71073","MoKα","","0.0537","0.041","","","0.085","0.0898","","","","","","1.053","","","","has coordinates","274338","2022-04-05","08:18:13",""
"8105027","5.3734","0.0001","11.0473","0.0002","22.2264","0.0005","102.075","0.002","96.202","0.002","97.383","0.002","1267.06","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 N2 Na2 O7 S4 -","- C16 H34 N2 Na2 O7 S4 -","- C32 H68 N4 Na4 O14 S8 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena-{[tri-aqua-di-sodium bis(2-{[n-butyl(methyl)carbamothioyl]sulfanyl}acetate)]}n, [C16H34N2Na2O7S4]n","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","91","94","10.1515/ncrs-2019-0513","","","1.54178","CuKα","","0.0361","0.0335","","","0.0923","0.0941","","","","","","1.07","","","","has coordinates","274339","2022-04-05","08:23:53",""
"8105028","9.6537","0.0004","31.1374","0.0011","9.8927","0.0004","90","","112.709","0.002","90","","2743.13","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 N4 O22 P2 Zn2 -","- C56 H46 N4 O22 P2 Zn2 -","- C112 H92 N8 O44 P4 Zn4 -","2","0.5","","Li, Yesheng; Chen, Huating; Chen, Han; Hu, Xingen; Xiao, Hongping","The crystal structure of diaqua-bis(μ2-3-((3-acetyl-5-carboxyphenyl)oxidophosphoryl)-5-carboxybenzoato-κ2O:O′)bis(5,5′-dimethyl-2,2′-bipyridine-k2N,N′)zinc(II), C56H46N4O22P2Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","95","97","10.1515/ncrs-2019-0517","","","1.54178","CuKα","","0.035","0.0341","","","0.0924","0.0934","","","","","","1.092","","","","has coordinates","274340","2022-04-05","08:27:25",""
"8105029","12.236","0.007","20.199","0.01","6.992","0.004","90","","105.987","0.009","90","","1661.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 N4 O2 S -","- C15 H12 Cl2 N4 O2 S -","- C60 H48 Cl8 N16 O8 S4 -","4","1","","Liu, Weiping","Crystal structure of N′,2-bis((E)-2-chloro-6-hydroxybenzylidene)hydrazine-1-carbothiohydrazide, C15H12Cl2N4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","99","100","10.1515/ncrs-2019-0518","","","0.71073","MoKα","","0.1005","0.0707","","","0.1639","0.1917","","","","","","1.143","","","","has coordinates","274341","2022-04-05","08:31:26",""
"8105030","26.1698","0.0004","9.4863","0.0002","9.0929","0.0002","90","","97.376","0.002","90","","2238.67","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H39 N O5 -","- C23 H39 N O5 -","- C92 H156 N4 O20 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 2-[(1E)-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminiumyl}methyl]-5-(dodecyloxy)benzen-1-olate, C23H39NO5","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","101","103","10.1515/ncrs-2019-0523","","","1.54184","CuKα","","0.0624","0.0539","","","0.1506","0.158","","","","","","1.025","","","","has coordinates","274342","2022-04-05","08:34:52",""
"8105031","11.6537","0.0006","5.1315","0.0002","26.8047","0.0013","90","","96.266","0.003","90","","1593.37","0.13","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Crystal structure of 12-(2-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione","","- C23 H13 N O4 -","- C23 H13 N O4 -","- C92 H52 N4 O16 -","4","1","","Luo, Peng; Chittiboyina, Amar G.; Wang, Mei; Khan, Ikhlas A.; Pan, Wei-Gao; Wei, Wan-Xing","Crystal structure of 12-(2-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione, C23H13NO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","105","107","10.1515/ncrs-2019-0524","","","0.71073","MoKα","","0.0875","0.0531","","","0.1258","0.1432","","","","","","1.023","","","","has coordinates","274343","2022-04-05","09:00:49",""
"8105032","9.4028","0.0016","30.928","0.005","9.3071","0.0016","90","","103.222","0.002","90","","2634.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cl2 N2 P Pd -","- C29 H23 Cl2 N2 P Pd -","- C116 H92 Cl8 N8 P4 Pd4 -","4","1","","Xu, Chen; Lou, Xin-Hua","Crystal structure of chlorido-(4-chloro-6-(p-tolyl)pyrimidine-κ2C,N)-(triphenylphosphane-κP)palladium(II), C29H23Cl2N2PPd","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","109","111","10.1515/ncrs-2019-0526","","","0.71073","MoKα","","0.0527","0.0423","","","0.0989","0.1047","","","","","","1.076","","","","has coordinates","274344","2022-04-05","09:03:31",""
"8105033","24.3935","0.0003","11.4505","0.0001","11.7004","0.0001","90","","90","","90","","3268.13","0.06","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br8 Co N2 O10 -","- C26 H14 Br8 Co N2 O10 -","- C104 H56 Br32 Co4 N8 O40 -","4","0.5","","Li, Yong-Shuang; Luo, Jia-Yang; He, Man-Qiu; Han, Min-Le","Crystal structure of catena-poly[diaqua-bis(3,4,5,6-tetrabromo-carboxybenzoato-κ1O)-(μ2-4,4′-bipyridine-κ2N:N′)cobalt(II)], C26H14Br8CoN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","113","115","10.1515/ncrs-2019-0527","","x-ray","1.54184","CuKα","","0.0338","0.0313","","","0.0805","0.0819","","","","","","1.065","","","","has coordinates","274345","2022-04-05","09:06:50",""
"8105034","12.6418","0.0001","13.2422","0.0001","13.6364","0.0001","90","","104.637","0.001","90","","2208.72","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 N2 O2 Sn -","- C24 H22 Cl2 N2 O2 Sn -","- C96 H88 Cl8 N8 O8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena-poly[dibenzyl-dichlorido-(μ2-[4,4′-bipyridine]1,1′-dioxide-κ2O:O′)tin(IV)], C24H22Cl2N2O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","117","119","10.1515/ncrs-2019-0529","","","1.54184","CuKα","","0.0304","0.0292","","","0.0768","0.0778","","","","","","1.025","","","","has coordinates","274346","2022-04-05","09:10:17",""
"8105035","16.3469","0.0002","5.7512","0.0001","11.8647","0.0001","90","","91.046","0.001","90","","1115.27","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N Na O2 S2 -","- C6 H16 N Na O2 S2 -","- C24 H64 N4 Na4 O8 S8 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of benzyl-chlorido-(4-chloro-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonato)-methanol-tin(IV), C22H20Cl2N2O3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","121","124","10.1515/ncrs-2019-0530","","","1.54178","CuKα","","0.0233","0.0212","","","0.0549","0.0562","","","","","","1.018","","","","has coordinates,has disorder","274347","2022-04-05","09:13:25",""
"8105036","7.9667","0.0003","11.5847","0.0004","13.5305","0.0005","81.096","0.003","83.11","0.003","69.997","0.004","1156.26","0.08","292.73","0.13","292.73","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N5 O10.5 -","- C20 H22 Co N5 O10.5 -","- C40 H44 Co2 N10 O21 -","2","1","","Yin, Wei-Dong; Liu, Qian-Long; Li, Gui-Lian","Crystal structure of catena-poly[triaqua-(1,3-di(1H-imidazol-1-yl)benzene-κ2N:N′)-(3-nitrophthalato-κ1O)cobalt(II)] — water (2/3), C20H22N5O10.5Co","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","125","128","10.1515/ncrs-2019-0531","","x-ray","0.71073","MoKα","","0.0523","0.0439","","","0.1052","0.1096","","","","","","1.032","","","","has coordinates","274348","2022-04-05","09:16:02",""
"8105037","6.71147","0.00014","16.6565","0.0004","25.0815","0.0006","90","","90","","90","","2803.85","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O3 -","- C30 H52 O3 -","- C120 H208 O12 -","4","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Luan, Ming-Zhu; Zheng, Xia; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3R,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol, C30H52O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","129","131","10.1515/ncrs-2019-0533","","x-ray","1.54184","CuKα","","0.047","0.0405","","","0.1027","0.1092","","","","","","1.037","","","","has coordinates","274349","2022-04-05","09:29:58",""
"8105038","15.7471","0.0018","14.1486","0.0015","13.7894","0.0015","90","","109.588","0.003","90","","2894.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl2 N6 O14 -","- C26 H24 Cl2 N6 O14 -","- C104 H96 Cl8 N24 O56 -","4","1","","Zhang, Qi-Long; Yu, Qing; Xie, Hai-Fang; Yang, Xiao-Sheng","Crystal structure of 3-(3-(4-carboxyphenyl)ureido)pyridin-1-ium perchlorate, C26H24Cl2N6O14","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","133","134","10.1515/ncrs-2019-0537","","","0.71073","MoKα","","0.1148","0.0744","","","0.19","0.2246","","","","","","1.026","","","","has coordinates","274350","2022-04-05","09:33:33",""
"8105039","7.2706","0.0002","14.844","0.0005","10.391","0.0003","90","","101.101","0.002","90","","1100.46","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C40 H56 Cl4 N4 O12 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 8-hydroxy-2-methylquinolin-1-ium chloride dihydrate, C10H14ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","135","137","10.1515/ncrs-2019-0540","","","1.54184","CuKα","","0.0292","0.0268","","","0.0718","0.0735","","","","","","1.07","","","","has coordinates","274351","2022-04-05","09:36:22",""
"8105040","8.4055","0.0001","26.9988","0.0003","6.4207","0.0001","90","","98.164","0.001","90","","1442.34","0.03","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C28 H26 Br4 O S Sn -","- C28 H26 Br4 O S Sn -","- C56 H52 Br8 O2 S2 Sn2 -","2","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (dibenzyl sulphoxide-κO)dibromido-bis(4-bromobenzyl-κC)tin(IV), C28H26Br4OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","139","141","10.1515/ncrs-2019-0541","","","1.54184","CuKα","","0.0175","0.0174","","","0.0453","0.0454","","","","","","1.025","","","","has coordinates","274352","2022-04-05","09:39:07",""
"8105041","8.8297","0.0001","12.2632","0.0002","12.6884","0.0002","84.191","0.001","83.94","0.001","76.086","0.001","1322.04","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Br Cl3 N O Sn -","- C26 H24 Br Cl3 N O Sn -","- C52 H48 Br2 Cl6 N2 O2 Sn2 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of bromido-tri(4-chlorophenyl-κ1C)-(ethanol-κ1O)tin(IV) — 4,4′-dimethyl-2,2′-bipyridine (2/1), C52H48Br2Cl6N2O2Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","143","145","10.1515/ncrs-2019-0542","","","1.54184","CuKα","","0.0231","0.0222","","","0.0614","0.0621","","","","","","1.055","","","","has coordinates","274376","2022-04-06","08:16:07",""
"8105042","27.5693","0.0013","8.3005","0.0004","16.8797","0.0008","90","","127.022","0.0012","90","","3084","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Liu, Peilian; Jiang, Fangru; Huang, Guiyuan; Sun, Ying; Huang, Liping","Crystal structure of 2-butyl-6-(ethylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, C18H20N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","147","149","10.1515/ncrs-2019-0548","","","0.71073","MoKα","","0.081","0.0642","","","0.2057","0.2248","","","","","","1.045","","","","has coordinates","274377","2022-04-06","08:19:49",""
"8105043","27.8125","0.0004","8.4443","0.0002","10.7891","0.0001","90","","91.074","0.001","90","","2533.45","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl2 F2 N2 O2 Sn -","- C28 H20 Cl2 F2 N2 O2 Sn -","- C112 H80 Cl8 F8 N8 O8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (4-chloro-N-[(2-oxido-5-chlorophenyl)methylidene] benzene-carbohydrazonato-κ3N,O,O′)bis(2-fluorobenzyl)tin(IV), C28H20Cl2F2N2O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","151","153","10.1515/ncrs-2019-0550","","","1.54184","CuKα","","0.0619","0.06","","","0.1599","0.1608","","","","","","1.166","","","","has coordinates","274378","2022-04-06","08:25:51",""
"8105044","7.1473","0.0006","12.8246","0.0011","13.2899","0.0011","97.541","0.005","94.503","0.006","96.247","0.005","1195.13","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Cl F N2 O5 Sn -","- C26 H22 Cl F N2 O5 Sn -","- C52 H44 Cl2 F2 N4 O10 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of aqua-chlorido-(4-fluorobenzyl-κC)-(N′-(4-methoxy-2-oxidobenzylidene)-3-hydroxy-2-naphthohydrazidato-κ3N,O,O′)tin(IV), C26H22ClFN2O5Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","155","157","10.1515/ncrs-2019-0551","","","0.71073","MoKα","","0.0412","0.0325","","","0.0713","0.0756","","","","","","0.994","","","","has coordinates","274379","2022-04-06","08:31:27",""
"8105045","13.336","0.0001","8.2332","0.0001","20.2443","0.0002","90","","104.07","0.001","90","","2156.1","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl3 O2 Sn -","- C21 H21 Cl3 O2 Sn -","- C84 H84 Cl12 O8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of catena-poly[tri(4-chlorophenyl)-(μ2-hydroxido)tin(IV)] – 2-propanol (1/1), C21H21Cl3O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","159","161","10.1515/ncrs-2019-0552","","","1.54178","CuKα","","0.021","0.0199","","","0.0535","0.0544","","","","","","1.047","","","","has coordinates","274380","2022-04-06","08:34:52",""
"8105046","10.9369","0.0001","12.217","0.0001","18.8402","0.0001","90","","91.869","0.001","90","","2516.01","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Br O P Sn -","- C27 H28 Br O P Sn -","- C108 H112 Br4 O4 P4 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of bromido-dimethyl-4-tolyl-(triphenylphosphine oxide)tin(IV), C27H28BrOPSn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","163","165","10.1515/ncrs-2019-0553","","","1.54178","CuKα","","0.0289","0.0279","","","0.0747","0.0754","","","","","","1.08","","","","has coordinates","274381","2022-04-06","08:38:23",""
"8105047","15.167","0.005","6.422","0.005","10.969","0.005","90","0.005","117.407","0.005","90","0.005","948.5","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 N O5 S -","- C6 H15 N O5 S -","- C24 H60 N4 O20 S4 -","4","1","","Wang, Baogang; Man, Xiaxia","Crystal structure of 2-(bis(2-hydroxyethyl)ammonio)ethane-1-sulfonate, C6H15NO5S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","167","168","10.1515/ncrs-2019-0554","","","0.71069","MoKα","","0.0301","0.0278","","","0.0738","0.0755","","","","","","1.043","","","","has coordinates","274382","2022-04-06","08:56:12",""
"8105048","12.3456","0.0003","13.768","0.0004","19.9125","0.0005","90","","107.051","0.002","90","","3235.84","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O8 S Zn -","- C13 H15 N O8 S Zn -","- C104 H120 N8 O64 S8 Zn8 -","8","1","","Li, Xiao-Ling; Xin, Ling-Yun; Yu, Yue-Yi; Yang, Qing-Qing; Liu, Meng-Ke","Crystal structure of bis[triaqua-(μ2-1,2-di(4-pyridyl)ethylene-κ2N:N′)-(4-sulfonatobenzoato-κ2O,O′)zinc(II)], C13H15NO8SZn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","169","170","10.1515/ncrs-2019-0558","","x-ray","0.71073","MoKα","","0.0399","0.0325","","","0.0779","0.0819","","","","","","1.015","","","","has coordinates","274383","2022-04-06","08:58:45",""
"8105049","6.3728","0.0006","14.3835","0.0014","20.453","0.002","90","","90","","90","","1874.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O10 -","- C20 H24 O10 -","- C80 H96 O40 -","4","1","","Li, Yu-Yan; Nie, Xu-Liang; Fu, Xiao-Xiang; Li, Bao-Tong; Peng, Wen-Wen","Crystal structure of 2-((2-(3-hydroxy-7-methylene-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol – a marmesin derivative, C20H24O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","171","173","10.1515/ncrs-2019-0561","","","0.71073","MoKα","","0.0292","0.0272","","","0.0551","0.0558","","","","","","1.038","","","","has coordinates","274384","2022-04-06","09:01:29",""
"8105050","27.6269","0.0008","9.0623","0.0002","24.7099","0.0007","90","","103.07","0.001","90","","6026.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H54 Cl10 O4 Sn4 -","- C58 H54 Cl10 O4 Sn4 -","- C232 H216 Cl40 O16 Sn16 -","4","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of octa(4-chlorobenzyl)-dichlorido-bis(μ2-methanolato)-bis(μ3-oxo)-tetratin(IV), C58H54Cl10O4Sn4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","175","177","10.1515/ncrs-2019-0562","","","0.71073","MoKα","","0.0324","0.0259","","","0.0636","0.0671","","","","","","1.026","","","","has coordinates","274385","2022-04-06","09:04:16",""
"8105051","9.7251","0.0006","17.3609","0.0011","10.0542","0.0006","90","","114.379","0.001","90","","1546.16","0.17","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 I O P Sn -","- C36 H30 I O P Sn -","- C72 H60 I2 O2 P2 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of iodido-triphenyl-(triphenylphosphine oxide)tin(IV), C36H30IOPSn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","179","181","10.1515/ncrs-2019-0563","","","0.71073","MoKα","","0.0113","0.0113","","","0.0301","0.0301","","","","","","1.021","","","","has coordinates","274386","2022-04-06","09:07:41",""
"8105052","10.84633","0.00006","14.61376","0.00009","13.53951","0.00008","90","","91.5073","0.0006","90","","2145.35","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 As2 Cl2 O2 Sn -","- C50 H44 As2 Cl2 O2 Sn -","- C100 H88 As4 Cl4 O4 Sn2 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-bis(4-methylphenyl-κC)-bis(triphenylarsine oxide-κO)tin(IV), C50H44As2Cl2O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","183","185","10.1515/ncrs-2019-0564","","","1.54184","CuKα","","0.025","0.0237","","","0.0633","0.0642","","","","","","1.034","","","","has coordinates","274387","2022-04-06","09:09:46",""
"8105053","9.149","0.004","9.249","0.004","13.508","0.007","91.995","0.009","101.158","0.008","108.392","0.008","1058.5","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O3 -","- C26 H21 N3 O3 -","- C52 H42 N6 O6 -","2","1","","Wei, Xian; Li, Ying Fen; Xu, You Lin; Lv, Meng Lan","Crystal structure of 4-benzyl-1-oxo-N-phenethyl-1H-[1,4]oxazino [4,3-b]indazole-3-carboxamide, C26H21N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","187","188","10.1515/ncrs-2019-0565","","","0.71073","MoKα","","0.1158","0.0628","","","0.1418","0.1668","","","","","","0.925","","","","has coordinates","274388","2022-04-06","09:12:24",""
"8105054","7.7151","0.0002","10.5336","0.0002","12.5668","0.0002","73.027","0.002","76.226","0.002","72.269","0.002","917.83","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Cl2 Mo2 N6 O10 -","- C38 H26 Cl2 Mo2 N6 O10 -","- C38 H26 Cl2 Mo2 N6 O10 -","1","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bis{(N-[(5-chloro-2-oxidophenyl)methylidene]-2-hydroxybenzenecarbohydrazonato)-dioxo-molybdenum(VI)}(μ2-4,4′-bipyridine), C38H26Cl2Mo2N6O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","189","191","10.1515/ncrs-2019-0566","","","1.54178","CuKα","","0.0236","0.0234","","","0.0611","0.0612","","","","","","0.996","","","","has coordinates","274470","2022-04-12","07:17:47",""
"8105055","13.9593","0.0002","11.1227","0.0002","21.6656","0.0003","90","","90","","90","","3363.91","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H44 Cl2 N2 O4 Sn4 -","- C24 H44 Cl2 N2 O4 Sn4 -","- C96 H176 Cl8 N8 O16 Sn16 -","4","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-octamethyl-bis(μ3-oxido)-bis(μ2-2-(phenylamino)ethanolato-κ2O:O)tetratin(IV), C24H44Cl2N2O4Sn4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","193","195","10.1515/ncrs-2019-0567","","","1.54178","CuKα","","0.0269","0.0252","","","0.0633","0.0642","","","","","","1.124","","","","has coordinates","274471","2022-04-12","07:20:47",""
"8105056","9.393","0.008","10.894","0.01","13.716","0.012","107.741","0.014","100.379","0.015","92.869","0.014","1307","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 F12 N5 O P2 -","- C20 H23 F12 N5 O P2 -","- C40 H46 F24 N10 O2 P4 -","2","1","","Bo, Zhao; Yue, Zhong; Jiewei, Luo","The crystal structure of 1-(2-(2-(imidazo[1,5-a]pyridine-4-ium)ethoxy)ethyl)-imidazo[1,5-a]pyridine-4-ium bis(hexafluorophosphate) — acetonitrile (1/1), C18H20ON4F12P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","197","199","10.1515/ncrs-2019-0572","","","0.71073","MoKα","","0.1176","0.0916","","","0.183","0.197","","","","","","1.04","","","","has coordinates","274472","2022-04-12","07:23:14",""
"8105057","8.6416","0.0003","14.2237","0.0005","15.5573","0.0005","90","","93.8054","0.0012","90","","1908.02","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra(μ~2~-cyano-<i>C,N</i>)-tetracyano-bis(1,4,7,10-tetraazacyclododecane- κ^4^<i>N,N',N'',N'''</i>)-dinickel(II)-dipalladium(II) hexahydrate","","- C24 H52 N16 Ni2 O6 Pd2 -","- C24 H52 N16 Ni2 O6 Pd2 -","- C48 H104 N32 Ni4 O12 Pd4 -","2","0.5","","Ha, Kwang","Crystal structure of cyclo[tetra(μ2-cyanido)-tetracyanido-bis(1,4,7,10-tetraazacyclododecane-κ4N,N′,N′′,N′′′)dinickel(II)dipalladium(II)] hexahydrate, C24H52N16Ni2O6Pd2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","201","202","10.1515/ncrs-2019-0574","","","0.71073","MoKα","","0.0357","0.0312","","","0.0882","0.0915","","","","","","1.057","","","","has coordinates","274473","2022-04-12","07:34:34",""
"8105058","13.406","0.0001","16.5112","0.0001","17.6357","0.0001","90","","90","","90","","3903.65","0.04","100","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Mo N2 O6 S -","- C19 H20 Mo N2 O6 S -","- C152 H160 Mo8 N16 O48 S8 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of (dimethyl sulfoxide)-dioxido-[2-hydroxy-N′-(4-oxo-4-phenylbutan-2-ylidene)benzohydrazidato κ3N,O,O′]molybdenum(VI), C19H20MoN2O6S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","203","205","10.1515/ncrs-2019-0576","","","1.54184","CuKα","","0.0219","0.0217","","","0.0601","0.0602","","","","","","1.041","","","","has coordinates","274474","2022-04-12","07:38:05",""
"8105059","7.7319","0.0003","9.9198","0.0005","11.6827","0.0005","81.866","0.004","75.576","0.004","74.562","0.004","833.78","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 Cu N O5 -","- C14 H25 Cu N O5 -","- C28 H50 Cu2 N2 O10 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of bis(acetylacetonato-κ2O,O′)-(ethanolamine-κ2N,O)copper(II), C14H25CuNO5","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","207","209","10.1515/ncrs-2019-0577","","","0.71073","MoKα","","0.0313","0.0287","","","0.0789","0.0807","","","","","","1.002","","","","has coordinates","274475","2022-04-12","07:40:23",""
"8105060","10.1894","0.0001","14.0236","0.0002","14.5114","0.0002","91.07","0.001","96.997","0.001","98.222","0.001","2035.59","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 Cl N S2 Sn -","- C19 H24 Cl N S2 Sn -","- C76 H96 Cl4 N4 S8 Sn4 -","4","2","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-diphenyl-(isopropyl(propyl)carbamodithioato-κ2S,S′)tin(IV), C19H24ClNS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","211","214","10.1515/ncrs-2019-0578","","","1.54184","CuKα","","0.0219","0.0211","","","0.055","0.0556","","","","","","1.039","","","","has coordinates","274674","2022-04-26","07:36:44",""
"8105061","15.7815","0.0013","4.3242","0.0003","12.4658","0.0009","90","","106.301","0.008","90","","816.5","0.11","113.25","0.1","113.25","","","","","","","","","4","I 1 2 1","I 2y","5","","Bis(imidazole-1-yl)methane","","- C7 H10 N4 O -","- C7 H10 N4 O -","- C28 H40 N16 O4 -","4","1","","Wang, Yong; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen","The crystal structure of bis(imidazole-1-yl)methane monohydrate, C7H10N4O","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","215","216","10.1515/ncrs-2019-0581","","","0.71073","MoKα","","0.0566","0.0473","","","0.0967","0.1067","","","","","","1.065","","","","has coordinates","274675","2022-04-26","07:40:56",""
"8105062","21.0402","0.0007","7.9959","0.0003","11.8012","0.0004","90","","102.379","0.001","90","","1939.22","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(imidazole-1-yl)methane","","- C7 H6 N6 O4 -","- C7 H6 N6 O4 -","- C56 H48 N48 O32 -","8","2","","Yong, Wang; Jun, Yuan; Duanlin, Cao; Jianlong, Wang; Lizhen, Chen","The crystal structure of bis(4-nitroimidazole-1-1yl)methane, C7H6N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","217","218","10.1515/ncrs-2019-0582","","","0.71073","MoKα","","0.0627","0.0481","","","0.1184","0.1296","","","","","","1.049","","","","has coordinates","274676","2022-04-26","07:44:12",""
"8105063","31.155","0.003","5.8419","0.0006","7.7505","0.0008","90","","94.664","0.004","90","","1406","0.2","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(C10H7)2S","","","- C20 H14 S -","- C20 H14 S -","- C80 H56 S4 -","4","0.5","","Ma, Wen; Li, Pu-Bo; Liang, Sen","Crystal structure of di(naphthalen-2-yl)sulfane, C20H14S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","219","220","10.1515/ncrs-2019-0583","","","0.71073","MoKα","","0.0553","0.048","","","0.1279","0.1352","","","","","","1.158","","","","has coordinates","274677","2022-04-26","07:47:00",""
"8105064","4.3164","0.0005","10.7922","0.0012","11.1521","0.0011","98.075","0.004","100.741","0.004","95.325","0.005","501.55","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","3-acetyl-6-bromo-4-hydroxy-2H-chromen-2-one","","- C11 H7 Br O4 -","- C11 H7 Br O4 -","- C22 H14 Br2 O8 -","2","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Hosten, Eric C.; Kaye, Perry T.","Crystal structure of 3-acetyl-6-bromo-4-hydroxy-2H-chromen-2-one, C11H7BrO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","221","222","10.1515/ncrs-2019-0590","","","0.71073","MoKα","","0.0234","0.0203","","","0.0529","0.0544","","","","","","1.094","","","","has coordinates","274678","2022-04-26","08:22:46",""
"8105065","10.277","0.003","10.081","0.003","11.264","0.004","90","","104.582","0.004","90","","1129.4","0.6","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C21 H25 N9 O4 -","- C21 H25 N9 O4 -","- C42 H50 N18 O8 -","2","0.5","","Xiangqing, Fang; Ren, Wang; Kai, Du; Jia, Gu; Liguo, Yang","Crystal structure of N′2,N′6-bis((E)-1-(pyrazin-2-yl)ethylidene)pyridine-2,6-dicarbohydrazide — methanol (1/2), C21H25N9O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","223","224","10.1515/ncrs-2019-0591","","","0.71073","MoKα","","0.0485","0.0452","","","0.1229","0.1278","","","","","","1.047","","","","has coordinates","274679","2022-04-26","08:31:09",""
"8105066","10.7105","0.0005","11.2685","0.0005","13.0145","0.0006","99.292","0.004","109.607","0.004","96.771","0.004","1435.01","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","3-nitro-4-(<i>p</i>-tolylamino)-coumarin","3-nitro-4-(<i>p</i>-tolylamino)-2<i>H</i>-chromen-2-one","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","2","","Dekić, Vidoslav S.; Rodić, Marko V.; Radulović, Niko S.; Ristić, Milenko N.; Dekić, Biljana R.; Gurešić, Dejan M.; Ristić, Novica R.","The crystal structure of 3-nitro-4-(p-tolylamino)-2H-chromen-2-one, C16H12N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","225","227","10.1515/ncrs-2019-0592","","x-ray","0.71073","MoKα","","0.0624","0.0427","","","0.1002","0.1124","","","","","","1.01","","","","has coordinates","274680","2022-04-26","08:45:45",""
"8105067","9.7401","0.0014","34.509","0.005","21.97","0.003","90","","90","","90","","7384.6","1.8","298","2","298","2","","","","","","","","3","C c c 2","C 2 -2c","37","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C384 H288 O32 -","16","2","","Wu, Shuai; Peng, Ling; Zhou, Pan; Zeng, Zhigang","The crystal structure of 1,2-bis((4-methoxyphenyl)ethynyl)benzene, C24H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","229","231","10.1515/ncrs-2019-0593","","x-ray","0.71073","MoKα","","0.1066","0.0738","","","0.1417","0.1559","","","","","","1.126","","","","has coordinates","274681","2022-04-26","08:50:17",""
"8105068","15.2379","0.0001","17.3322","0.0002","21.8829","0.0001","75.919","0.001","78.05","0.001","68.17","0.001","5159.97","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H112 N8 O16 P8 S16 Zn4 -","- C72 H112 N8 O16 P8 S16 Zn4 -","- C144 H224 N16 O32 P16 S32 Zn8 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of a low-temperature (100 K) polymorph of catena-poly[(μ2-4,4′-bipyridine-κ2N,N′)-bis(O,O′-diethyldithiophosphato-κ1S)zinc(II)], C18H28N2O4P2S4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","233","237","10.1515/ncrs-2019-0594","","","1.54184","CuKα","","0.0262","0.0246","","","0.0669","0.0681","","","","","","0.99","","","","has coordinates,has disorder","274682","2022-04-26","09:08:58",""
"8105069","10.3735","0.0001","15.2066","0.0002","26.5231","0.0002","85.178","0.001","81.311","0.001","71.541","0.001","3920.17","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H84 Cd3 N6 O12 P6 S12 -","- C54 H84 Cd3 N6 O12 P6 S12 -","- C108 H168 Cd6 N12 O24 P12 S24 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","The pseudosymmetric low temperature polymorph of catena-poly[(μ2-4,4′-bipyridyl-κN,N′)-bis(O,O′-diethyldithiophosphato-κS)-cadmium(II)], {C18H28CdN2O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","239","242","10.1515/ncrs-2019-0596","","","1.54184","CuKα","","0.0227","0.0214","","","0.0547","0.0556","","","","","","1.073","","","","has coordinates,has disorder","274683","2022-04-26","09:12:46",""
"8105070","4.557","0.0003","7.772","0.0005","12.766","0.0008","99.906","0.003","97.718","0.003","105.651","0.003","421.02","0.05","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 I O4 -","- C8 H5 I O4 -","- C16 H10 I2 O8 -","2","1","","Du, Chao-Jun; Wang, Zong-Dong; Zhu, Da-Feng; Zhu, Yuan-Liang; Zeng, Yan","Crystal structure of 3-iodophthalic acid, C8H5IO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","243","244","10.1515/ncrs-2019-0598","","","0.71073","MoKα","","0.0244","0.0191","","","0.041","0.0433","","","","","","1.0509","","","","has coordinates","274684","2022-04-26","09:24:01",""
"8105071","9.0896","0.0004","10.8609","0.0004","18.5637","0.0008","90","","99.505","0.001","90","","1807.47","0.13","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Br F N O4 -","- C16 H21 Br F N O4 -","- C64 H84 Br4 F4 N4 O16 -","4","1","","Ji, Chun; Qin, Yu-Mei","The crystal structure of tert-butyl (tert-butoxy(oxo)methyl)(5-bromo-2-fluorophenyl)carbamate, C16H21BrFNO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","245","246","10.1515/ncrs-2019-0600","","","0.71073","MoKα","","0.0657","0.0382","","","0.0777","0.09","","","","","","1.022","","","","has coordinates","274685","2022-04-26","09:26:50",""
"8105072","10.72","0.005","12.232","0.005","14.267","0.005","65.288","0.005","71.325","0.005","88.067","0.005","1599.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 Cl12 Eu2 N6 O8 -","- C63 H39 Cl12 Eu2 N6 O8 -","- C63 H39 Cl12 Eu2 N6 O8 -","1","0.5","","Alexander, Orbett T.; Brink, Alice; Visser, Hendrik G.","The crystal structure of bis(μ2-5,7-dichloroquinolin-8-olato-κ3N,O:O)-tetrakis(5,7-dichloroquinolin-8-olato-κ2N,O)bis(methanol-κ1O)dieuropium(III) — toluene (1/1), C63H39Cl12Eu2N6O8","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","247","249","10.1515/ncrs-2019-0606","","","0.71073","MoKα","","0.0482","0.0358","","","0.0718","0.0785","","","","","","1.001","","","","has coordinates","274686","2022-04-26","09:30:18",""
"8105073","9.833","0.002","17.404","0.004","11.694","0.003","90","","112.901","0.003","90","","1843.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd Cl2 N4 O2 -","- C16 H18 Cd Cl2 N4 O2 -","- C64 H72 Cd4 Cl8 N16 O8 -","4","1","","Duan, Wei-Guo; Guo, Yi-Peng; Lin, Long; Wu, Wei-Na","Crystal structure of dichlorido-(N′-(1-(3-ethylpyrazin-2-yl)ethylidene)-4-methoxybenzohydrazide-κ3N,N′,O)cadmium(II), C16H18N4O2Cl2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","251","252","10.1515/ncrs-2019-0608","","","0.71073","MoKα","","0.0319","0.028","","","0.0695","0.0728","","","","","","1.057","","","","has coordinates","274687","2022-04-26","09:34:36",""
"8105074","12.2264","0.0001","10.8805","0.0001","12.959","0.0001","90","","108.172","0.001","90","","1637.95","0.03","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cd N4 O4 P2 S4 -","- C24 H38 Cd N4 O4 P2 S4 -","- C48 H76 Cd2 N8 O8 P4 S8 -","2","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","A redetermination of the crystal structure of catena-poly[(bis(O,O′-isopropyl dithiophosphato-κ2S,S′)-(μ2-1,2-bis(3-pyridylmethylene)hydrazine-κ2N,N′)cadmium(II)], {C24H38CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","253","255","10.1515/ncrs-2019-0641","","","1.54184","CuKα","","0.0193","0.0183","","","0.0461","0.0468","","","","","","1.042","","","","has coordinates","274688","2022-04-26","09:36:32",""
"8105585","7.8749","0.0006","9.6746","0.0006","16.0818","0.0012","78.2","0.006","83.007","0.006","85.035","0.006","1188","0.15","295.42","0.1","295.42","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N2 O2 -","- C14 H11 N2 O2 -","- C56 H44 N8 O8 -","4","2","","Linxin, Deng; Xinya, Kuang; Huarong, Yang; Song, Li","Crystal structure of 1H-indole-5-carboxylic acid – 4,4′-bipyridine (2/1), C14H11N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","191","192","10.1515/ncrs-2017-0084","","x-ray","0.71073","MoKα","","0.1267","0.0638","","","0.1354","0.1712","","","","","","1.026","","","","has coordinates","276440","2022-06-30","08:53:06",""
"8105586","7.624","0.004","9.197","0.005","15.058","0.005","94.13","0.03","102.27","0.03","106.72","0.03","978","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O6 -","- C23 H21 N O6 -","- C46 H42 N2 O12 -","2","1","","Liu, Xue-Kun; Geng, Xiao-Yu; Zhang, Meng; Ye, Bai-Jun; Shi, Zhan; Wang, Yan-Qiu","Crystal structure of ethyl 2-amino-4-(4-ethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C23H21NO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","193","194","10.1515/ncrs-2018-0151","","","0.71073","MoKα","","0.1579","0.0662","","","0.143","0.1733","","","","","","0.805","","","","has coordinates","276441","2022-06-30","08:59:37",""
"8105587","9.649","0.004","15.108","0.004","14.994","0.005","90","","128.65","0.02","90","","1707","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O4 S -","- C16 H16 Br N O4 S -","- C64 H64 Br4 N4 O16 S4 -","4","1","","Yan, Jun-Feng; Xiong, Xin; He, Hai-Lei","Crystal structure of ethyl 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C16H16BrNO4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","195","196","10.1515/ncrs-2018-0153","","","0.71073","MoKα","","0.1009","0.0444","","","0.0895","0.0999","","","","","","0.907","","","","has coordinates","276442","2022-06-30","09:13:59",""
"8105588","12.1257","0.0014","11.0862","0.0014","16.028","0.0019","90","","95.948","0.002","90","","2143","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N5 O S -","- C22 H25 N5 O S -","- C88 H100 N20 O4 S4 -","4","1","","Li, Da; Zhang, Hua; Zhang, Qing; Zhou, Yan; Zhou, Sheng","The crystal structure of 6-amino-2-methyl-8-(4-(methylthio)phenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile – ethanol (1/1), C20H19N5S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","197","198","10.1515/ncrs-2018-0167","","","0.71073","MoKα","","0.0642","0.0486","","","0.1391","0.1487","","","","","","1.091","","","","has coordinates","276443","2022-06-30","09:17:23",""
"8105589","10.352","0.009","10.911","0.01","12.48","0.006","97.33","0.02","110.29","0.02","115.353","0.015","1129.7","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N5 O -","- C24 H29 N5 O -","- C48 H58 N10 O2 -","2","1","","Liu, Xian-Chang; Zhang, Pei-Pei; Wang, Yong","Crystal structure of 6-amino-8-(4-isopropylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile-ethanol (1/1), C24H29N5O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","199","200","10.1515/ncrs-2018-0172","","","0.71073","MoKα","","0.1196","0.0614","","","0.161","0.1855","","","","","","1.033","","","","has coordinates","276444","2022-06-30","09:20:33",""
"8105590","7.012","0.002","15.507","0.005","10.398","0.002","90","","118.945","0.015","90","","989.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 F12 N4 P2 -","- C12 H20 F12 N4 P2 -","- C24 H40 F24 N8 P4 -","2","0.5","","Wan-Ming, Xiong; Yi-Bo, Di; Ying-Dong, Lan; Jing, Chen; Xu-Liang, Nie; Chang-Gan, Huang","Crystal structure of 1,1′-(ethane-1,2-diyl)bis(3-ethyl-1H-imidazol-3-ium)bis(hexafluorido phosphate), C12H20F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","201","203","10.1515/ncrs-2018-0178","","","0.71073","MoKα","","0.0752","0.0526","","","0.138","0.1537","","","","","","1.076","","","","has coordinates","276445","2022-06-30","09:24:13",""
"8105591","12.905","0.003","13.37","0.003","13.09","0.003","90","","118.19","0.03","90","","1990.7","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O8 -","- C21 H25 N O8 -","- C84 H100 N4 O32 -","4","1","","Dorovatovskii, Pavel V.; Sadigova, Nurlana D.; Huseynzada, Alakbar E.; Hajiyeva, Sarvinaz F.; Cárdenas, Alejandro; Cisterna, Jonathan; Brito, Iván","Crystal structure of dimethyl (3aS,6R,6aS,7S)-2-pivaloyl-2,3-dihydro-1H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isoquinoline-3a1,6a-dicarboxylate, C21H25NO8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","205","207","10.1515/ncrs-2018-0192","","","0.9699","SynchrotronRadiation","","0.0959","0.0629","","","0.1545","0.1966","","","","","","1.362","","","","has coordinates","276446","2022-06-30","09:27:33",""
"8105592","11.558","0.005","13.098","0.005","12.25","0.005","90","","106.923","0.017","90","","1774.2","1.3","293","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O3 S -","- C18 H20 Br N O3 S -","- C72 H80 Br4 N4 O12 S4 -","4","1","","Tang, Bo","Crystal structure of methyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H20BrNO3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","209","210","10.1515/ncrs-2018-0202","","","0.71073","MoKα","","0.1144","0.0528","","","0.1224","0.1526","","","","","","1.016","","","","has coordinates","276447","2022-06-30","09:32:12",""
"8105593","9.1991","0.0004","9.7349","0.0004","19.584","0.0008","102.77","0.004","90.522","0.003","100.879","0.004","1677.31","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 N6 O5 Zn -","- C38 H34 N6 O5 Zn -","- C76 H68 N12 O10 Zn2 -","2","1","","Wei-Dong, Yin; Yu-Ying, He; Jia, Shen; Gui-Lian, Li","Hydrothermal synthesis and crystal structure of catena-poly[bis(4-((pyridin-4-ylmethyl)amino)benzoato-κ3 N:O,O′)zinc(II) – 1,2-di(pyridin-4-yl)ethene – water (1/1/1), C38H34N6O5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","211","213","10.1515/ncrs-2018-0217","","x-ray","0.71073","MoKα","","0.0499","0.0405","","","0.0889","0.0928","","","","","","1.053","","","","has coordinates","276448","2022-06-30","09:34:48",""
"8105594","7.8936","0.0007","14.421","0.0013","16.0109","0.0015","90","","99.124","0.003","90","","1799.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dimethyl-3,4-dinitrobenzene","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C64 H64 N16 O32 -","8","2","","Fanfan, Shen; Shaomin, Xue; Jianlong, Wang","The crystal structure of 1,2-dimethyl-3,4-dinitrobenzene, C8H8N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","215","216","10.1515/ncrs-2018-0248","","x-ray","0.71073","MoKα","","0.1353","0.059","","","0.1034","0.1293","","","","","","1.037","","","","has coordinates,has disorder","276449","2022-06-30","09:37:24",""
"8105595","15.7219","0.0007","8.0394","0.0004","17.1968","0.0008","90","","92.21","0.004","90","","2171.97","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O26 S2 Zn -","- C38 H48 N2 O26 S2 Zn -","- C76 H96 N4 O52 S4 Zn2 -","2","0.5","","Chen, Hai-Lin; Pan, Li-Wei; Qin, Yong-Ling; Xie, Yan-Jun; Zhang, Peng","Synthesis and crystal structure of trans-tetraaqua-bis(3-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)propanoato-κO)zinc(II) tetrahydrate, C38H48N2O26S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","217","219","10.1515/ncrs-2018-0250","","","0.71073","MoKα","","0.0589","0.0395","","","0.0839","0.0951","","","","","","1.03","","","","has coordinates","276450","2022-06-30","09:39:44",""
"8105596","12.0062","0.0008","12.0072","0.0008","12.2324","0.0008","115.371","0.003","103.452","0.003","107.883","0.003","1373.64","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cl6 N10 O8 Tb2 -","- C54 H38 Cl6 N10 O8 Tb2 -","- C54 H38 Cl6 N10 O8 Tb2 -","1","0.5","","Youzhu, Yu; Nana, Liu; Weiyun, Shi; Yuhua, Guo; Dongxu, Wu","Crystal structure of diaqua-bis(μ2-6-chloropyridin-2-olato-κ3 N,O:O)-tetrakis(chloropyridin-2-olato-κ1 O)-bis(penanthroline-κ2 N,N′)diterbium(III), C54H38Cl6Tb2N10O8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","221","222","10.1515/ncrs-2018-0258","","","0.71073","MoKα","","0.0297","0.0237","","","0.0714","0.102","","","","","","1.14","","","","has coordinates","276467","2022-07-01","06:41:29",""
"8105597","7.0892","0.0002","8.8797","0.0002","13.8486","0.0003","87.101","0.001","82.316","0.001","71.411","0.001","818.84","0.03","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C12 H20 N2 O S4 V -","- C12 H20 N2 O S4 V -","- C24 H40 N4 O2 S8 V2 -","2","1","","Machálková, Aneta; Charamzová, Iva; Honzíček, Jan; Vinklárek, Jaromír; Císařová, Ivana","Crystal structure of oxidobis(piperidine-1-carbodithioato-κ2 S,S′)vanadium(IV), C12H20N2OS4V","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","223","225","10.1515/ncrs-2018-0265","","","0.71073","MoKα","","0.0291","0.0249","","","0.0682","0.0707","","","","","","1.097","","","","has coordinates","276468","2022-07-01","06:45:36",""
"8105598","10.0187","0.0005","11.9948","0.0005","13.6259","0.0007","90","","102.521","0.005","90","","1598.51","0.14","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 Si -","- C15 H22 O3 Si -","- C60 H88 O12 Si4 -","4","1","","Liu, Peilian; Liu, Na; Liu, Cuiling; Jia, Yongmei; Zhou, Guohua; Sun, Ying","Crystal structure of 2-((tert-butyldimethylsilyl)oxy)-5-methylisophthalaldehyde, C15H22O3Si","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","227","229","10.1515/ncrs-2018-0266","","x-ray","0.71073","MoKα","","0.0654","0.0485","","","0.1157","0.1273","","","","","","1.046","","","","has coordinates","276469","2022-07-01","06:50:40",""
"8105599","4.3592","0.0011","20.116","0.005","12.713","0.003","90","","96.838","0.005","90","","1106.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Hg I2 N2 -","- C7 H7 Hg I2 N2 -","- C28 H28 Hg4 I8 N8 -","4","1","","Hou, Bing-Jie; Osman, Ibrahim Omar; Hu, Dong-Cheng; Liu, Jia-Cheng","Crystal structure of catena-poly[tetraiodido-(μ2-1,4-bis(2-methyl-1H-imidazol-1-yl)benzene-κ2 N:N′)dimercury(II)], C14H14Hg2I4N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","231","232","10.1515/ncrs-2018-0271","","","0.71073","MoKα","","0.0419","0.0362","","","0.0841","0.0863","","","","","","1.018","","","","has coordinates","276470","2022-07-01","06:54:09",""
"8105600","8.881","0.0008","16.8999","0.0013","10.5705","0.001","90","","92.046","0.001","90","","1585.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 N2 O4 Sn2 -","- C30 H44 N2 O4 Sn2 -","- C60 H88 N4 O8 Sn4 -","2","0.5","","Cuihong, Zhang; Xiaohu, Wei; Liguo, Yang; Zhenzhen, He; Jiaze, Wu; Hao, Liu; Xin, Li; Zongcheng, Miao","Crystal structure of tetrakis(n-butyl)-(μ2-1,2-bis(2-oxidobenzoyl)hydrazine-1,2-diido-κ6 N,O,O′:N′,O′′,O′′′)ditin(IV), C30H44N2O4Sn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","233","234","10.1515/ncrs-2018-0273","","","0.71073","MoKα","","0.1103","0.066","","","0.1387","0.1528","","","","","","1.134","","","","has coordinates","276471","2022-07-01","06:57:38",""
"8105601","9.14","0.002","14.233","0.002","13.846","0.003","90","","99.246","0.004","90","","1777.8","0.6","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O7 -","- C19 H19 N O7 -","- C76 H76 N4 O28 -","4","1","","Zeng, Xiao-Qiong; Tang, Qin; Xie, Xian-Hong; Feng, Jing; Hu, Juan-Juan","Crystal structure of ethyl 2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano-[4,3-b]pyran-3-carboxylate, C19H19NO7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","235","236","10.1515/ncrs-2018-0277","","","0.71073","MoKα","","0.0812","0.0413","","","0.0869","0.0979","","","","","","0.965","","","","has coordinates","276472","2022-07-01","07:07:33",""
"8105602","10.1022","0.0008","9.4818","0.0008","7.0832","0.0006","90","","94.138","0.001","90","","676.71","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N5 O -","- C5 H7 N5 O -","- C20 H28 N20 O4 -","4","1","","Gao, Liang-Liang; Huang, Shan-Xiu; Wu, Wei-Na","Crystal structure of 3-aminopyrazine-2-carbohydrazide, C5H7N5O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","237","238","10.1515/ncrs-2018-0278","","","0.71073","MoKα","","0.0417","0.0357","","","0.103","0.1088","","","","","","1.071","","","","has coordinates","276473","2022-07-01","07:11:18",""
"8105603","8.482","0.006","15.272","0.012","15.285","0.012","112.024","0.011","95.325","0.009","98.958","0.009","1788","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Cu N6 O7 -","- C36 H42 Cu N6 O7 -","- C72 H84 Cu2 N12 O14 -","2","1","","Xue, Wen-Zhao; Hu, Qiang; Song, Yu-Fei; Wu, Wei-Na","Crystal structure of ethanol-bis(N-((5-(ethoxycarbonyl)-3,4-dimethyl-1H-pyrrol-2-yl)methylene)benzohydrazonato-κ 2 N,O)copper(II), C36H42N6O7Cu","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","239","241","10.1515/ncrs-2018-0279","","","0.71073","MoKα","","0.0787","0.057","","","0.15","0.1687","","","","","","1.059","","","","has coordinates,has disorder","276474","2022-07-01","07:14:18",""
"8105604","6.141","0.005","8.108","0.006","12.234","0.009","79.257","0.012","76.82","0.012","74.687","0.011","566.9","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Wang, Bei-Bei; Zang, Chuan-Yi; Zhang, Ling; Wu, Wei-Na","Crystal structure of 3-methyl-2-oxo-2H-chromen-7-yl propionate, C13H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","243","244","10.1515/ncrs-2018-0281","","","0.71073","MoKα","","0.0627","0.0515","","","0.1469","0.1575","","","","","","1.088","","","","has coordinates","276475","2022-07-01","07:17:38",""
"8105605","6.1516","0.001","13.711","0.002","13.7392","0.0018","90","","90","","90","","1158.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","","Li, Linglan; Liu, Hui; Wu, Zhongjun; Miao, Junfeng; Zhang, Shu","Crystal structure of 2-(dimethylamino)ethyl 4-aminobenzoate, C11H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","245","246","10.1515/ncrs-2018-0284","","x-ray","0.71073","MoKα","","0.104","0.0657","","","0.168","0.194","","","","","","1.04","","","","has coordinates","276476","2022-07-01","07:28:39",""
"8105606","10.7988","0.0007","15.7684","0.001","8.5906","0.0006","90","","112.302","0.008","90","","1353.38","0.17","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 N2 O2 S -","- C15 H10 N2 O2 S -","- C60 H40 N8 O8 S4 -","4","1","","Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Guo, Da-Feng; Chu, Yi-Xin","Crystal structure of 3-(benzo[d]thiazol-2-ylamino)isobenzofuran-1(3H)-one, C15H10N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","247","248","10.1515/ncrs-2018-0285","","x-ray","1.54184","CuKα","","0.0384","0.0353","","","0.0891","0.0922","","","","","","1.068","","","","has coordinates","276477","2022-07-01","07:42:30",""
"8105607","13.2081","0.0005","23.362","0.0011","12.2769","0.0005","90","","102.345","0.004","90","","3700.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O -","- C22 H16 N6 O -","- C176 H128 N48 O8 -","8","2","","Zeng, Dai; Xing, Ai-Ping; Wei, Jun-Jun; Chu, Yi-Xin; Zhang, Shu-Ling","Crystal structure of 3-((1H-benzo[d]imidazol-2-yl)amino)-2-(1H-benzo[d]imidazol-2-yl)isoindolin-1-one, C22H16N6O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","249","251","10.1515/ncrs-2018-0286","","x-ray","1.54184","CuKα","","0.1191","0.0648","","","0.14","0.173","","","","","","1.013","","","","has coordinates","276478","2022-07-01","07:56:00",""
"8105608","24.166","0.002","19.5652","0.0018","9.6477","0.0009","90","","90","","90","","4561.6","0.7","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H48 B Cu F4 N4 P2 -","- C50 H48 B Cu F4 N4 P2 -","- C200 H192 B4 Cu4 F16 N16 P8 -","4","0.5","","Fazal, Atif; Fettouhi, Mohammed","Crystal structure of (2,2′-bipyridine-κ 2 N,N′)bis(4-(dimethylamino)phenyldiphenylphosphane-κP)copper(I) tetrafluoroborate, C50H48BCuF4N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","253","254","10.1515/ncrs-2018-0289","","","0.71073","MoKα","","0.0677","0.0494","","","0.1397","0.1546","","","","","","1.031","","","","has coordinates","276479","2022-07-01","08:00:38",""
"8105609","5.5944","0.0013","10.402","0.003","10.666","0.003","110.297","0.002","101.342","0.003","104.701","0.002","534.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O7 -","- C8 H11 N O7 -","- C16 H22 N2 O14 -","2","1","","Liu, Yang; Zheng, Xiao-Yuan; Qin, Liu-Lei; Zhu, Chun-Li; Liu, Zunqi","Crystal structure of citric acid–acetonitrile (1/1), C8H11NO7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","255","256","10.1515/ncrs-2018-0290","","","0.71073","MoKα","","0.0337","0.0318","","","0.0816","0.0833","","","","","","1.068","","","","has coordinates","276480","2022-07-01","08:06:36",""
"8105610","9.2625","0.0008","10.5974","0.001","11.7431","0.0011","77.836","0.008","87.564","0.008","66.951","0.009","1035.83","0.18","107.5","","107.5","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Tan, Hong-Bo; Meng, Jiang-Ping","Crystal structure of diethyl 2-(4-methoxyphenyl)-1-phenyl-1,2-dihydropyridine-3,5-dicarboxylate, C24H25NO5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","257","258","10.1515/ncrs-2018-0297","","","0.7107","MoKα","","0.0499","0.0404","","","0.0914","0.0985","","","","","","1.042","","","","has coordinates","276481","2022-07-01","09:19:21",""
"8105611","6.91","0.0014","9.17","0.0018","10.72","0.002","69.53","0.03","83.56","0.03","87.01","0.03","632.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Poly[[[Triaqua(bi-2,5-dihydroxyterephthalato-κO)cerium ] -μ-2,5-dihydroxyterephthalato-κ2O:O\#8242;]-μ-oxalato]","","- C9 H10 Ce O11 -","- C9 H10 Ce O11 -","- C18 H20 Ce2 O22 -","2","1","","Xue, Li; Han-Yang, Sun; Shuang, Han; Jia-Jun, Wang; Hao-Yan, Mao; Chun-Ling, Liu; Shou-Cai, Zhang; Chuan-Bi, Li","The crystal structure of poly[triaqua-bis(μ3-2,5-dihydroxyterephthalato-κ4 O,O′:O′′:O′′′)-(μ4-oxalato-κ4 O,O′:O′′,O′′′)cerium(III)], C9H10CeO11","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","259","260","10.1515/ncrs-2018-0300","","","0.71073","MoKα","","0.0316","0.0265","","","0.0474","0.0487","","","","","","1","","","","has coordinates","276482","2022-07-01","09:22:16",""
"8105612","16.4367","0.0008","12.7804","0.0006","19.5474","0.0008","90","","96.17","0.0014","90","","4082.5","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C208 H176 N16 O16 -","8","2","","Feng, Qi; Wang, Jiali; Huan, Wenhui; Lu, Jiadan; Diao, Guowang","Crystal structure of 1-(5-(anthracen-9-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C26H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","261","263","10.1515/ncrs-2018-0306","","","0.71073","MoKα","","0.0986","0.0516","","","0.1195","0.1415","","","","","","1.06","","","","has coordinates","276510","2022-07-04","07:28:31",""
"8105613","8.3926","0.0009","9.0469","0.0006","15.3442","0.0015","78.195","0.007","74.352","0.009","70.169","0.008","1047.08","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O12 S -","- C19 H23 N O12 S -","- C38 H46 N2 O24 S2 -","2","1","","Chen, Hai-Lin; Yin, Xiu-Ju","Synthesis and crystal structure of 5-(8-(((2-carboxyethyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate trihydrate, C19H23NO12S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","265","267","10.1515/ncrs-2018-0307","","","0.71073","MoKα","","0.0903","0.0538","","","0.1086","0.1289","","","","","","1.018","","","","has coordinates","276511","2022-07-04","07:31:34",""
"8105614","7.8246","0.0013","23.695","0.004","13.225","0.002","90","","95.987","0.017","90","","2438.6","0.7","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Br2 Cl Co8 N2 O4 -","- C22 H26 Br2 Cl Co N2 O4 -","- C88 H104 Br8 Cl4 Co4 N8 O16 -","4","1","","Wu, Qiong; Zi, Qiaoli; Li, Jindong; Li, Yajuan","Crystal structure of rac-trans-6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromophenolato-κ4 N,N′,O,O′)-bis(methanol)cobalt(III) chloride, C22H25Br2Co8N2O4Cl","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","269","270","10.1515/ncrs-2018-0309","","","0.71073","MoKα","","0.2142","0.0844","","","0.1541","0.2192","","","","","","1.018","","","","has coordinates","276512","2022-07-04","07:40:49",""
"8105615","8.7252","0.0005","15.6732","0.0008","18.9746","0.0009","90","","90","","90","","2594.8","0.2","276","2","276","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O S -","- C31 H29 N3 O S -","- C124 H116 N12 O4 S4 -","4","1","","Zhang, Jun na; Liu, Peng; Wei, He","Crystal structure of 1-((R)-(2′-(dimethylamino)-[1,1′-binaphthalen]-2-yl))-3-((S)-2-hydroxy-1-phenylethyl)thiourea, C31H29N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","271","273","10.1515/ncrs-2018-0311","","","0.71073","MoKα","","0.215","0.0689","","","0.0903","0.1179","","","","","","0.996","","","","has coordinates","276513","2022-07-04","07:43:25",""
"8105616","7.604","0.004","11.556","0.005","13.09","0.007","93.964","0.008","93.209","0.008","90.619","0.009","1145.6","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C60 H44 S4 -","2","1","","Bin, Wen; Li-Hua, Xu; Na, Liu; Zhong-Hai, Ni","Crystal structure and photochemical property of 1,8-bis(p-tolylthio)pyrene, C30H22S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","275","278","10.1515/ncrs-2018-0318","","","0.71073","MoKα","","0.0847","0.0497","","","0.1104","0.1295","","","","","","1.016","","","","has coordinates","276514","2022-07-04","07:48:12",""
"8105617","7.7966","0.0003","8.2167","0.0004","12.9574","0.0007","82.444","0.004","81.604","0.004","86.751","0.004","813.46","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl N5 O4 -","- C14 H18 Cl N5 O4 -","- C28 H36 Cl2 N10 O8 -","2","1","","Wang, Jian-Ge; Ji, Li","Crystal structure of 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate, C14H18ClN5O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","279","280","10.1515/ncrs-2018-0325","","x-ray","0.71073","MoKα","","0.0527","0.0454","","","0.1086","0.1131","","","","","","1.083","","","","has coordinates","276515","2022-07-04","07:51:02",""
"8105618","16.146","0.005","14.653","0.004","14.621","0.004","90","","106.052","0.008","90","","3324.3","1.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C132 H144 N48 O24 -","12","3","","Feng, Zhiqiang; Liu, Yujie; He, Yuxuan; Sha, Wenjing; Tang, Jie","Crystal structure of ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, C11H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","281","283","10.1515/ncrs-2018-0328","","","0.71073","MoKα","","0.0558","0.0415","","","0.09","0.0965","","","","","","1.042","","","","has coordinates","276516","2022-07-04","07:53:37",""
"8105619","10.0908","0.0001","18.5381","0.0002","19.7643","0.0002","90","","90","","90","","3697.19","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H31 Al Cl6 N2 -","- C39 H31 Al Cl6 N2 -","- C156 H124 Al4 Cl24 N8 -","4","1","","Zhong, Hailan; Peng, Ziyi; Lei, Hao","Crystal structure of trichloro-(4-chloro-2,6-bis(diphenylmethyl)-N-((pyridin-2-yl)methylene)aniline)-aluminum dichloromethane solvate, C39H31AlCl6N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","285","287","10.1515/ncrs-2018-0332","","","1.54178","CuKα","","0.0529","0.0516","","","0.1421","0.143","","","","","","1.136","","","","has coordinates","276517","2022-07-04","07:57:08",""
"8105620","7.3165","0.0015","8.266","0.0017","8.7599","0.0018","71.6","0.03","77.07","0.03","64.19","0.03","450.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mg N4 O6 -","- C16 H22 Mg N4 O6 -","- C16 H22 Mg N4 O6 -","1","0.5","","Xi-Shi, Tai; Guan-Yu, Jiang; Ya-Ting, Yu; Hui, Yao; Ai-Jing, Wang","Bis(ethanol-κO)-bis(6-aminopicolinato-κ2N,O)magnesium(II), C16H22O6N4Mg","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","289","290","10.1515/ncrs-2018-0345","","","0.71073","MoKα","","0.0553","0.0513","","","0.1283","0.1335","","","","","","1.142","","","","has coordinates","276518","2022-07-04","08:00:23",""
"8105621","7.4252","0.0008","13.5409","0.0014","23.02","0.003","90","","94.488","0.001","90","","2307.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B10 Cu N2 O5 -","- C16 H20 B10 Cu N2 O5 -","- C64 H80 B40 Cu4 N8 O20 -","4","1","","Liguo, Yang; Xin, Wang; Yongsheng, Niu; Haixiang, Song; Dayong, Tian; Linna, Gao","Crystal structure of catena-poly[aqua-(μ2-1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ2 O:O′)-(1,10-phenanthrolin-κ2 N,N′)copper(II)], C16H20B10CuN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","291","293","10.1515/ncrs-2018-0351","","","0.71073","MoKα","","0.1383","0.0583","","","0.1069","0.132","","","","","","0.872","","","","has coordinates","276520","2022-07-04","08:15:12",""
"8105622","14.3766","0.0013","11.636","0.0011","18.946","0.0015","90","","104.963","0.001","90","","3061.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 B10 N4 S2 Zn -","- C26 H26 B10 N4 S2 Zn -","- C104 H104 B40 N16 S8 Zn4 -","4","1","","Liguo, Yang; Xin, Wang; Yongsheng, Niu; Haixiang, Song; Dayong, Tian; Linna, Gao","Crystal structure of (1,2-dicarba-closo-dodecaborane-1,2-dithiolato κ2 S,S′)-bis(1,10-phenanthroline κ2 N,N′)zinc(II), C26H26B10Zn4S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","295","297","10.1515/ncrs-2018-0353","","","0.71073","MoKα","","0.1024","0.0451","","","0.0864","0.0999","","","","","","0.862","","","","has coordinates","276521","2022-07-04","08:18:03",""
"8105623","10.372","0.011","11.92","0.012","12.141","0.013","61.136","0.011","85.699","0.01","67.497","0.011","1203","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 B20 Co2 N4 O11 -","- C34 H46 B20 Co2 N4 O11 -","- C34 H46 B20 Co2 N4 O11 -","1","0.5","","Xin, Wang; Jinglan, Kan; Liguo, Yang; Yongsheng, Niu; Haixiang, Song; Dayong, Tian; Linna, Gao","Crystal structure of diaqua-bis(1,10-phenanthroline-κ 2 N,N′)-bis(1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ 3 O,O′:O′′) dicobalt(II) — ethanol (1/1), C34H46B20Co2N4O11","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","299","301","10.1515/ncrs-2018-0354","","","0.71073","MoKα","","0.0569","0.041","","","0.0948","0.1065","","","","","","1.037","","","","has coordinates,has disorder","276522","2022-07-04","08:21:28",""
"8105624","15.7861","0.0011","5.3211","0.0004","21.6563","0.0016","90","","92.129","0.004","90","","1817.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cu N2 O4 -","- C22 H18 Cu N2 O4 -","- C88 H72 Cu4 N8 O16 -","4","1","","Ling, Zhao; Xin, Wang; Liguo, Yang; Linna, Gao","Crystal structure of ((5,5′-dimethoxy-2,2′-(1,2-phenylenebis(nitrilomethylidyne)))diphenolato-κ4 O,N,O′,N′)copper(II), C22H18N2CuO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","303","304","10.1515/ncrs-2018-0361","","","0.71073","MoKα","","0.0297","0.0254","","","0.0718","0.0765","","","","","","1.113","","","","has coordinates","276523","2022-07-04","08:24:37",""
"8105625","31.437","0.003","5.5224","0.0005","16.6545","0.0016","90","","94.703","0.004","90","","2881.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C136 H112 Br8 N8 O16 -","8","1","","Mphahlele, Malose J.","Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethan-1-ol, C17H14BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","305","307","10.1515/ncrs-2018-0363","","x-ray","0.71073","MoKα","","0.0281","0.0251","","","0.0644","0.067","","","","","","1.04","","","","has coordinates","276524","2022-07-04","08:50:45",""
"8105626","21.36266","0.00013","11.83583","0.00008","12.09985","0.00009","90","","90","","90","","3059.38","0.04","173","0.1","173.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H34 Br N5 O2 -","- C34 H34 Br N5 O2 -","- C136 H136 Br4 N20 O8 -","4","1","","Xing, Ai-Ping; Zeng, Dai; Wang, Xin-Ling","Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(diethylamino)spiro[isoindoline-1,9′-xanthen]-3-one, C34H34N5O2Br","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","309","311","10.1515/ncrs-2018-0365","","","1.54184","CuKα","","0.0512","0.0507","","","0.1394","0.1401","","","","","","1.073","","","","has coordinates","276526","2022-07-04","09:03:15",""
"8105627","21.057","0.003","6.5535","0.0007","24.069","0.004","90","","113.535","0.003","90","","3045.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Zhong, Qiong","Crystal structure of (Z)-2-((adamantan-1-ylimino)methyl)-5-methoxyphenol, C18H23NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","313","314","10.1515/ncrs-2018-0366","","","0.71073","MoKα","","0.0701","0.0607","","","0.1163","0.1204","","","","","","1.061","","","","has coordinates","276527","2022-07-04","09:06:08",""
"8105628","8.5942","0.0007","25.888","0.002","4.8204","0.0004","90","","97.785","0.003","90","","1062.59","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cu N2 O6 -","- C22 H28 Cu N2 O6 -","- C44 H56 Cu2 N4 O12 -","2","0.5","","Xin, Wang; Jinglan, Kan; Yonghui, Zhang; Liguo, Yang; Linna, Gao","Crystal structure of bis((E)-2-ethoxy-6-(((2-hydroxyethyl)imino)methyl)phenolato-κ2 N,O)copper(II), C22H28N2CuO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","315","316","10.1515/ncrs-2018-0367","","","0.71073","MoKα","","0.0322","0.0313","","","0.0866","0.0878","","","","","","1.163","","","","has coordinates","276528","2022-07-04","09:09:25",""
"8105629","11.4545","0.0006","21.0333","0.001","10.0604","0.0005","90","","103.571","0.006","90","","2356.1","0.2","289.3","0.7","289.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C120 H96 N8 O8 -","4","1","","Li, Dongmi; Lianglu, Juanzi; Peng, Yuanyuan","Crystal structure of 2,3-diphenyl-5,6-bis(4-methoxyphenyl)pyrazine, C30H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","317","319","10.1515/ncrs-2018-0369","","x-ray","0.71073","MoKα","","0.1024","0.0652","","","0.126","0.1414","","","","","","1.08","","","","has coordinates","276529","2022-07-04","09:12:22",""
"8105630","9.3081","0.0002","11.7526","0.0003","24.9876","0.0006","90","","94.184","0.002","90","","2726.22","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H26 Cd Cl2 N10 -","- C24 H26 Cd Cl2 N10 -","- C96 H104 Cd4 Cl8 N40 -","4","1","","Wang, Xia; Ling, Ning; Yang, Jing; Song, Ning","Crystal structure of dichlorido bis[1-((2,4-dimethyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN]cadmium(II), Cd(C12H13N5)2Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","321","323","10.1515/ncrs-2018-0370","","x-ray","0.71073","MoKα","","0.0534","0.0412","","","0.0524","0.0581","","","","","","1.016","","","","has coordinates","276530","2022-07-04","09:15:48",""
"8105631","10.7674","0.0016","19.542","0.003","20.97","0.003","90","","90","","90","","4412.4","1.1","153","","153.03","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C240 H184 N8 O16 -","8","1","","Zuo, Zhenyu; Hu, Kunxia; Song, Xiao; Zhang, Hong; Tang, Zhishu","The crystal structure of 1,5-di(naphthalen-2-yl)-3-(pyridin-2-yl)pentane-1,5-dione, C30H23NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","325","326","10.1515/ncrs-2018-0378","","","1.54178","CuKα","","0.0371","0.035","","","0.094","0.0963","","","","","","1.063","","","","has coordinates","276531","2022-07-04","09:18:39",""
"8105632","3.9497","0.0004","9.0268","0.0013","12.2935","0.0016","86.522","0.011","87.209","0.01","80.673","0.01","431.37","0.1","296","2","296","3","","","","","","","","4","P -1","-P 1","2","[(3-Methylthiophen-2-yl)methylidene]propanedinitrile","[(3-Methylthiophen-2-yl)methylidene]propanedinitrile","","- C9 H6 N2 S -","- C9 H6 N2 S -","- C18 H12 N4 S2 -","2","1","","Al-Sehemi, Abdullah G.; Pannipara, Mehboobali; Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Kalam, Abul","The crystal structure of 2-((3-methylthiophen-2-yl)methylene)malononitrile, C9H6N2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","327","328","10.1515/ncrs-2018-0379","","x-ray","0.71073","MoKα","","0.0747","0.0496","","","0.1098","0.1227","","","","","","1.054","","","","has coordinates","276532","2022-07-04","09:21:44",""
"8105633","21.953","0.003","7.0292","0.0009","13.5984","0.0019","90","","127.569","0.004","90","","1663.2","0.4","122","2","122","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-dinitroso-2,3,5,6-tetraacetoxy-piperazine","","- C12 H16 N4 O10 -","- C12 H16 N4 O10 -","- C48 H64 N16 O40 -","4","0.5","","Mei, Xue; Yunlu, Li; Jianlong, Wang; Jun, Chen; Jianghong, Li","The crystal structure of 1,4-dinitroso-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","329","330","10.1515/ncrs-2018-0389","","","0.71073","MoKα","","0.1012","0.0555","","","0.1053","0.1224","","","","","","1.051","","","","has coordinates,has disorder","276533","2022-07-04","09:24:26",""
"8105634","12.098","0.0011","10.0628","0.0009","15.1518","0.0014","90","","104.231","0.001","90","","1788","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H6 Cl6 O4 -","- C15 H6 Cl6 O4 -","- C60 H24 Cl24 O16 -","4","1","","Yun-Lian, Shi; Tao, Huang; Xu-Liang, Nie; Da-Yong, Peng; Jin-Chuan, Liu; Bao-Tong, Li","Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","331","332","10.1515/ncrs-2018-0394","","","0.71073","MoKα","","0.0221","0.0214","","","0.0562","0.0568","","","","","","1.041","","","","has coordinates","276534","2022-07-04","09:27:05",""
"8105635","6.694","0.0003","9.5552","0.0006","10.7954","0.0006","83.8311","0.0019","88.1577","0.0016","86.8053","0.0017","685.2","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-dichloridobis(pyridine-2-carboxylato-κ^2^<i>N,O</i>)platinum(IV)","","- C12 H8 Cl2 N2 O4 Pt -","- C12 H8 Cl2 N2 O4 Pt -","- C24 H16 Cl4 N4 O8 Pt2 -","2","1","","Ha, Kwang","The crystal structure of trans-dichlorido-bis(pyridine-2-carboxylato-κ2 N,O)platinum(IV), C12H8Cl2N2O4Pt","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","333","334","10.1515/ncrs-2018-0396","","","0.71073","MoKα","","0.0392","0.0244","","","0.0538","0.0601","","","","","","1.091","","","","has coordinates","288216","2023-12-11","20:37:33",""
"8105636","8.7156","0.0003","9.4003","0.0003","19.8188","0.0007","90","","97.426","0.003","90","","1610.12","0.1","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C72 H48 N16 O24 -","8","2","","Mi, Xia; Wang, Xinling","Crystal structure of 3-nitroquinoline 1-oxide, C9H6N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","335","336","10.1515/ncrs-2018-0397","","","1.54184","CuKα","","0.0591","0.0491","","","0.1279","0.1347","","","","","","1.097","","","","has coordinates","276536","2022-07-04","09:31:57",""
"8105637","7.2704","0.0007","11.475","0.0012","18.7004","0.0019","90","","95.475","0.002","90","","1553","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Cl2 N3 O2 -","- C12 H21 Cl2 N3 O2 -","- C48 H84 Cl8 N12 O8 -","4","1","","Cai, Bin; Li, Shu-Jing; Liu, Gui-Jie; Shi, Xiao-Ming; Du, Chao-Jun","Crystal structure of 2-(piperidin-1-ium-4-yl)-1H-benzo[d]imidazol-3-ium dichloride dihydrate, C12H21Cl2N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","337","339","10.1515/ncrs-2018-0402","","","0.71073","MoKα","","0.0446","0.0372","","","0.0979","0.1022","","","","","","1.06","","","","has coordinates","276537","2022-07-04","09:34:41",""
"8105638","6.7397","0.0007","12.0404","0.0012","30.864","0.003","90","","90","","90","","2504.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","","He, Kang; Fan, Lin-Lin; Wu, Tian-Tai; Xu, Hong; Zhang, Qi-Long; Zou, Juan","Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene, C30H50O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","341","342","10.1515/ncrs-2018-0404","","","0.71073","MoKα","","0.0844","0.0555","","","0.1131","0.1234","","","","","","1.043","","","","has coordinates","276538","2022-07-04","09:38:00",""
"8105639","4.4773","0.0004","14.1089","0.0011","20.1449","0.0016","90","","95.425","0.004","90","","1266.85","0.18","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F4 N4 S -","- C11 H8 F4 N4 S -","- C44 H32 F16 N16 S4 -","4","1","","Aouad, Mohamed Reda; Messali, Mouslim; Rezki, Nadjet; Zarrouk, Abdelkader; Warad, Ismail","Crystal structure of (E)-4-((2-fluoro-3-(trifluoromethyl)benzylidene)amino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione, C11H8F4N4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","343","344","10.1515/ncrs-2018-0405","","","1.54178","CuKα","","0.0437","0.0383","","","0.11","0.1176","","","","","","1.102","","","","has coordinates","276539","2022-07-04","09:40:48",""
"8105640","15.8636","0.0006","7.6641","0.0003","16.4472","0.0007","90","","106.016","0.002","90","","1922.04","0.13","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F2 N6 S2 -","- C18 H16 F2 N6 S2 -","- C72 H64 F8 N24 S8 -","4","1","","Aouad, Mohamed Reda; Messali, Mouslim; Alharbi, Khalid; Rezki, Nadjet; Zarrouk, Abdelkader; Warad, Ismail","Crystal structure of 5-(4-fluorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, C9H8FN3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","345","346","10.1515/ncrs-2018-0406","","","1.54178","CuKα","","0.0358","0.0348","","","0.0987","0.1001","","","","","","1.06","","","","has coordinates","276540","2022-07-04","09:43:44",""
"8105641","12.954","0.003","11.494","0.003","20.825","0.005","90","","90","","90","","3100.7","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F N3 S2 Sn -","- C12 H14 F N3 S2 Sn -","- C96 H112 F8 N24 S16 Sn8 -","8","1","","Sun, Junshan","Crystal structure of catena-poly[(1-(4-fluorophenyl)-N–(5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine], (C12H14FN3S2Sn)n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","347","348","10.1515/ncrs-2018-0407","","","0.71073","MoKα","","0.0462","0.0274","","","0.0573","0.0658","","","","","","1.034","","","","has coordinates","276541","2022-07-04","09:45:55",""
"8105642","4.8541","0.0019","5.88","0.002","29.194","0.011","90","","91.43","0.005","90","","833","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Mono-Methyl terephthalate","4-(methoxycarbonyl)benzoic acid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Li, Yong; Wang, Jingjing","The crystal structure of 4-(methoxycarbonyl)benzoic acid, C9H8O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","349","350","10.1515/ncrs-2018-0408","","","0.71073","MoKα","","0.0525","0.0477","","","0.1213","0.1259","","","","","","1.042","","","","has coordinates,has disorder","276542","2022-07-04","09:48:27",""
"8105643","11.8434","0.0005","11.2298","0.0006","17.0706","0.0008","90","","94.661","0.002","90","","2262.86","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 N5 O3 S3 -","- C17 H27 N5 O3 S3 -","- C68 H108 N20 O12 S12 -","4","2","","Zuo, Zhenyu; Yan, Hao; Song, Xiao; Song, XiaoMei; Guo, Dongyan","The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","351","353","10.1515/ncrs-2018-0414","","","1.54184","CuKα","","0.0294","0.0287","","","0.0802","0.0809","","","","","","1.066","","","","has coordinates,has disorder","276552","2022-07-05","07:22:08",""
"8105644","20.3702","0.0007","7.3482","0.0002","23.2504","0.001","90","","106.507","0.004","90","","3336.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","2","","Alotaibi, Mohammad Hayal; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of N′-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","355","357","10.1515/ncrs-2018-0417","","","0.71073","MoKα","","0.0995","0.0571","","","0.1277","0.1507","","","","","","1.052","","","","has coordinates","276553","2022-07-05","07:26:36",""
"8105645","15.7947","0.001","6.2958","0.0004","12.2787","0.0008","90","","94.216","0.002","90","","1217.69","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","Smit, Jireh B. M.; Marais, Charlene; Malan, Frederick P.; Bezuidenhout, Barend C. B.","Crystal structure of 3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one, C16H12O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","359","360","10.1515/ncrs-2018-0418","","","1.54178","CuKα","","0.0439","0.0398","","","0.1283","0.1336","","","","","","1.138","","","","has coordinates","276554","2022-07-05","07:30:38",""
"8105646","7.889","0.002","9.367","0.003","9.63","0.003","64.82","0.03","65.89","0.03","84.57","0.02","585.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C26 H22 N6 O4 -","2","1","","Alotaibi, Mohammad Hayal; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of N′-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","361","362","10.1515/ncrs-2018-0420","","","0.71073","MoKα","","0.0889","0.055","","","0.1236","0.1455","","","","","","1.041","","","","has coordinates","276555","2022-07-05","07:33:59",""
"8105647","12.159","0.007","14.299","0.008","19.186","0.011","90","","90","","90","","3336","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl6 Cu4 N8 O -","- C20 H24 Cl6 Cu4 N8 O -","- C80 H96 Cl24 Cu16 N32 O4 -","4","1","","Li, Ting; Xing, Zheng","Crystal structure of hexa-μ2-chlorido-μ4-oxido-tetrakis(1-vinyl-1H-imidazole-κN)tetracopper(II), C20H24Cu4Cl6N8O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","363","365","10.1515/ncrs-2018-0421","","","0.71073","MoKα","","0.0579","0.0382","","","0.0569","0.0615","","","","","","1.034","","","","has coordinates","276556","2022-07-05","07:37:37",""
"8105648","8.108","0.0002","14.4763","0.0004","18.2819","0.0005","90","","95.27","0.003","90","","2136.75","0.1","291","","291","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","1","","Yu, Xiang; Qin, Yan; Yan, Jing; Chen, Ya-Fang","Crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-4-methylbenzenesulfonohydrazide, C22H22O5N2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","367","368","10.1515/ncrs-2018-0427","","x-ray","0.71073","MoKα","","0.064","0.0488","","","0.115","0.122","","","","","","1.094","","","","has coordinates","276557","2022-07-05","07:42:27",""
"8105649","8.0788","0.0016","8.1221","0.0016","18.162","0.004","91.01","0.03","94.62","0.03","92.8","0.03","1186.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","2","","Xu, Yun-Hui; Miao, Bao-Xi; Zhang, Ran","Crystal structure of 2-acetyl pyrene, C18H12O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","369","371","10.1515/ncrs-2018-0432","","","0.71073","MoKα","","0.0582","0.0415","","","0.0998","0.1044","","","","","","0.94","","","","has coordinates","276558","2022-07-05","07:45:22",""
"8105650","8.6162","0.0004","11.0217","0.0005","45.266","0.002","90","","92.828","0.004","90","","4293.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 Mn2 N2 O10 -","- C52 H40 Mn2 N2 O10 -","- C208 H160 Mn8 N8 O40 -","4","0.5","","Chen, Shi-Jun; Li, Shi-Hui; Wang, Wei-Hua; Long, Yong-Fu; Zhang, Wen-Lai; Wang, Tao; Xu, Yan-Li","Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2 N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4 O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","373","375","10.1515/ncrs-2017-0312","","x-ray","0.71073","MoKα","","0.0704","0.0476","","","0.0882","0.0988","","","","","","1.051","","","","has coordinates","276559","2022-07-05","07:49:57",""
"8105651","5.3944","0.0006","10.1144","0.0012","10.9297","0.0012","65.236","0.003","81.959","0.003","79.882","0.003","531.61","0.11","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 Ni O6 -","- C20 H24 N6 Ni O6 -","- C20 H24 N6 Ni O6 -","1","0.5","","Wang, Li; Yu, Meng; Liu, Ling-Zhi; Ma, Jin-Xia; Dong, Wen-Kui","Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3 N,N′,O]nickel(II), C20H24N6NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","377","378","10.1515/ncrs-2017-0390","","","0.71073","MoKα","","0.0285","0.0262","","","0.0636","0.0649","","","","","","1.089","","","","has coordinates","276560","2022-07-05","07:56:51",""
"8105652","8.704","0.0005","12.7375","0.0009","14.2626","0.0009","99.054","0.002","95.727","0.002","92.477","0.002","1550.96","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Co N4 O5 -","- C34 H36 Co N4 O5 -","- C68 H72 Co2 N8 O10 -","2","1","","Yang, Yu-Hua; Wei, Zhi-Li; Li, Yi-Zheng; Zhao, Ji-Xing; Dong, Wen-Kui","Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2 N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","379","381","10.1515/ncrs-2017-0413","","","0.71073","MoKα","","0.0886","0.0554","","","0.1211","0.1369","","","","","","1.029","","","","has coordinates,has disorder","276561","2022-07-05","08:00:28",""
"8105653","9.7533","0.0006","10.2969","0.0008","17.9128","0.0012","104.131","0.002","99.242","0.002","91.106","0.002","1718.7","0.2","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N4 O4 -","- C24 H22 Cl2 N4 O4 -","- C72 H66 Cl6 N12 O12 -","3","1.5","","Zhang, Yang; Cui, Yong-Fan; An, Xiao-Xin; Li, Peng-Peng; Dong, Wen-Kui","Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","383","385","10.1515/ncrs-2017-0428","","","0.71073","MoKα","","0.0781","0.0502","","","0.1125","0.1256","","","","","","1.028","","","","has coordinates","276562","2022-07-05","08:15:39",""
"8105654","12.6527","0.0016","16.395","0.002","20.606","0.003","90","","90","","90","","4274.5","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N24 O33 -","- C21 H30 N24 O33 -","- C84 H120 N96 O132 -","4","1","","Shen, Fanfan","The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","387","389","10.1515/ncrs-2018-0141","","","0.71073","MoKα","","0.048","0.0367","","","0.0848","0.0907","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"8105655","16.477","0.01","10.008","0.006","24.201","0.015","90","","90","","90","","3991","4","296","2","296.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C20 H48 Cl10 Cu8 N8 -","- C20 H48 Cl10 Cu8 N8 -","- C80 H192 Cl40 Cu32 N32 -","4","0.25","","Xing, Zheng; Yin, Heng-Bo","Crystal structure of (1,4-diazepane)4CuII 2(μ-Cl)10CuI 6, C20H48Cl10Cu8N8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","391","392","10.1515/ncrs-2018-0185","","","0.71073","MoKα","","0.0595","0.0364","","","0.0723","0.0798","","","","","","1.026","","","","has coordinates","276564","2022-07-05","08:23:13",""
"8105656","9.0403","0.0015","18.213","0.003","11.1889","0.0019","90","","107.964","0.002","90","","1752.5","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C76 H92 N4 O12 S4 -","4","1","","Lu, Xiao-Qing; Zhang, Huan-Hu; Yang, Rui; Zhu, Si-Yuan; Wang, Fu-Sheng","Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","393","394","10.1515/ncrs-2018-0191","","","0.71073","MoKα","","0.0645","0.0498","","","0.1407","0.1536","","","","","","1.052","","","","has coordinates","276565","2022-07-05","08:36:37",""
"8105657","4.6502","0.0018","11.937","0.003","13.1822","0.0019","115.26","0.04","94.81","0.05","96.49","0.05","650.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C30 H26 N6 O4 -","2","1","","Fang, Bo; Meng, Jiang Ping; Luo, Yan","Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","395","396","10.1515/ncrs-2018-0224","","","0.71073","MoKα","","0.1535","0.0762","","","0.1585","0.1794","","","","","","1.014","","","","has coordinates","276566","2022-07-05","08:40:22",""
"8105658","11.9922","0.0009","16.7099","0.0008","29.1262","0.0016","90","","90","","90","","5836.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N2 O2 S -","- C31 H50 N2 O2 S -","- C248 H400 N16 O16 S8 -","8","2","","Wang, Jia-Zhen; Weng, Wei-Zhao; Ma, Ying; He, Xiu-Ting; Meng, Qing-Guo","Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","397","400","10.1515/ncrs-2018-0238","","","1.54178","CuKα","","0.1398","0.0654","","","0.0935","0.123","","","","","","0.965","","","","has coordinates","276725","2022-07-07","08:14:04",""
"8105659","18.4662","0.0006","15.2888","0.0005","33.2661","0.001","90","","90","","90","","9391.9","0.5","180","0.5","180","0.5","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis [{[(4-fluorophenyl)amino]methyl}(triphenyl)phosphanium] tetrachloro-Cobaltate","","- C50 H44 Cl4 Co F2 N2 P2 -","- C50 H44 Cl4 Co F2 N2 P2 -","- C400 H352 Cl32 Co8 F16 N16 P16 -","8","1","","Kanchanadevi, S.; Fronczek, Frank R.; Arun, V.; Mahalingam, V.","Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","401","403","10.1515/ncrs-2018-0288","","","0.71073","MoKα","","0.0544","0.0403","","","0.0921","0.1005","","","","","","1.074","","","","has coordinates","276726","2022-07-07","08:19:34",""
"8105660","5.2601","0.0003","12.7161","0.0006","22.0116","0.0011","90","","90","","90","","1472.31","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","1","","Cisterna, Jonathan; Bórquez, Jorge; Muñoz, Rubén; Simirgiotis, Mario; Cárdenas, Alejandro; Brito, Iván","Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","405","407","10.1515/ncrs-2018-0295","","","1.54178","CuKα","","0.065","0.043","","","0.0982","0.1089","","","","","","1.041","","","","has coordinates","276727","2022-07-07","08:23:07",""
"8105661","9.6166","0.0005","10.8331","0.0006","11.0982","0.0006","90","","105.997","0.002","90","","1111.41","0.1","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C21 H25 B F4 Fe N6 -","- C21 H25 B F4 Fe N6 -","- C42 H50 B2 F8 Fe2 N12 -","2","1","","Xu, Jianghua; Li, Jian; Ling, Yun; Xu, Bo","Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","409","410","10.1515/ncrs-2018-0395","","","0.71073","MoKα","","0.0523","0.0388","","","0.077","0.0831","","","","","","1.076","","","","has coordinates","276732","2022-07-08","06:47:54",""
"8105662","7.641","0.003","24.184","0.008","7.947","0.003","90","","111.196","0.005","90","","1369.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","","Liu, Xiao-Xing; Cai, Hong-Xin","Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","411","412","10.1515/ncrs-2018-0416","","","0.71073","MoKα","","0.0359","0.0322","","","0.0936","0.0968","","","","","","1.045","","","","has coordinates","276733","2022-07-08","06:55:26",""
"8105663","10.0901","0.0002","11.5016","0.0002","14.4098","0.0003","69.207","0.001","86.555","0.002","65.579","0.003","1416.1","0.06","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N O Si -","- C34 H39 N O Si -","- C68 H78 N2 O2 Si2 -","2","1","","Govender, Kimberleigh B.; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia","Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","413","415","10.1515/ncrs-2018-0422","","","0.71073","MoKα","","0.0503","0.0463","","","0.1176","0.12","","","","","","1.107","","","","has coordinates,has disorder","276734","2022-07-08","06:58:37",""
"8105664","16.0836","0.0017","8.0165","0.0007","14.7754","0.0015","90","","90","","90","","1905.1","0.3","173","","173","","","","","","","","","4","P b a m","-P 2 2ab","55","","1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine","","- C12 H16 N4 O12 -","- C12 H16 N4 O12 -","- C48 H64 N16 O48 -","4","0.5","","Yunlu, Li; Mei, Xue; Jianlong, Wang; Luyao, Zhang; Jie, Ning","The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","417","418","10.1515/ncrs-2018-0423","","","0.71073","MoKα","","0.1018","0.0499","","","0.1207","0.1606","","","","","","1.059","","","","has coordinates","276735","2022-07-08","07:07:38",""
"8105665","6.9535","0.0005","7.4037","0.0006","14.5179","0.0009","97.879","0.004","93.543","0.005","116.785","0.005","654.43","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O -","- C15 H19 N O -","- C30 H38 N2 O2 -","2","1","","Bai, Yunli; Wang, Yanhong; Li, Xingyi; Xun, Miao-Miao; Yuan, Changchun","Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","419","420","10.1515/ncrs-2018-0425","","","1.54184","CuKα","","0.06","0.052","","","0.1454","0.1518","","","","","","1.111","","","","has coordinates","276736","2022-07-08","07:10:26",""
"8105666","10.6506","0.0013","10.6506","0.0013","10.6506","0.0013","90","","90","","90","","1208.2","0.3","293","2","293","0.2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu~0.51~In~0.49~)~tet~[Cr~1.74~In~0.26~]~oct~Se~4~ selenospinel","","- Cr1.74 Cu0.51 In0.75 Se4 -","- Cr1.74 Cu0.51 In0.75 Se4 -","- Cr13.92 Cu4.08 In6 Se32 -","8","0.0416667","","Moris, Silvana; Barahona, Patricia; Galdámez, Antonio","Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","421","422","10.1515/ncrs-2018-0426","","x-ray","0.71073","MoKα","","0.0371","0.0371","","","0.0911","0.0911","","","","","","1.306","","","","has coordinates","276737","2022-07-08","07:15:08",""
"8105667","7.1609","0.0003","4.6329","0.0002","30.0028","0.0014","90","","96.635","0.004","90","","988.7","0.08","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Chen, Pei-Wen; Tao, Yi-Wen","Crystal structure of 7-hydroxy-5-methoxy-4,6-dimethylisobenzofuran-1(3H)-one, C11H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","423","424","10.1515/ncrs-2018-0429","","x-ray","1.54184","CuKα","","0.0884","0.0708","","","0.1663","0.1761","","","","","","1.034","","","","has coordinates","276743","2022-07-11","07:20:17",""
"8105668","14.319","0.002","16.7358","0.0005","22.6972","0.0016","90","","90","","90","","5439.2","0.9","235","","235.38","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Cl6 F12 N4 P4 Ru -","- C46 H44 Cl6 F12 N4 P4 Ru -","- C184 H176 Cl24 F48 N16 P16 Ru4 -","4","0.5","","Junwei, Zheng; Lu, Xiu Lian","Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","425","427","10.1515/ncrs-2018-0430","","","1.54178","CuKα","","0.1517","0.0727","","","0.1326","0.1672","","","","","","1.032","","","","has coordinates,has disorder","276744","2022-07-11","07:24:30",""
"8105669","6.984","0.004","7.494","0.004","9.174","0.005","97.249","0.009","95.155","0.008","108.515","0.008","447.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 N O3 S -","- C8 H9 N O3 S -","- C16 H18 N2 O6 S2 -","2","1","","Lv, Mu-Xuan; Bian, Lin-Yan","Crystal structure of 2-((4-nitrophenyl)thio)ethan-1-ol, C8H9NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","429","430","10.1515/ncrs-2018-0439","","","0.71073","MoKα","","0.0579","0.0538","","","0.1547","0.1617","","","","","","1.04","","","","has coordinates","276745","2022-07-11","07:31:14",""
"8105670","8.3378","0.0008","21.188","0.002","22.802","0.002","90","","90","","90","","4028.2","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl2 N4 O12 Zn3 -","- C36 H44 Cl2 N4 O12 Zn3 -","- C144 H176 Cl8 N16 O48 Zn12 -","4","0.5","","Tan, Yuye; Huang, Junjie; Lu, Hui; Sun, Jianhua","Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6 O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","431","432","10.1515/ncrs-2018-0440","","","0.71073","MoKα","","0.0755","0.0513","","","0.1051","0.1193","","","","","","1.071","","","","has coordinates","276746","2022-07-11","07:39:00",""
"8105671","7.9798","0.0002","10.2392","0.0003","20.6956","0.0004","103.632","0.002","96.082","0.002","96.053","0.002","1619.14","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Cl O10 S4 -","- C35 H25 Cl O10 S4 -","- C70 H50 Cl2 O20 S8 -","2","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-chlorobenzoic acid (2/1), C35H25ClO10S4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","433","436","10.1515/ncrs-2018-0442","","","1.54178","CuKα","","0.0522","0.0493","","","0.1388","0.1413","","","","","","1.031","","","","has coordinates","276747","2022-07-11","07:47:13",""
"8105672","12.943","0.0008","9.3196","0.0005","12.5959","0.0008","90","","115.861","0.008","90","","1367.21","0.17","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl F N3 O2 -","- C15 H11 Cl F N3 O2 -","- C60 H44 Cl4 F4 N12 O8 -","4","1","","Li, Yong; Wu, Yun-Deng; Wang, Jingjing","The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","437","438","10.1515/ncrs-2018-0445","","","0.71073","MoKα","","0.0733","0.0512","","","0.12","0.1359","","","","","","1.05","","","","has coordinates","276748","2022-07-11","07:58:03",""
"8105673","11.235","0.006","11.251","0.007","17.814","0.01","90","","98.872","0.012","90","","2225","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O6 -","- C23 H23 N3 O6 -","- C92 H92 N12 O24 -","4","1","","Tan, Hong-bo; Hu, Chun-sheng","Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","439","440","10.1515/ncrs-2018-0447","","","0.71073","MoKα","","0.1022","0.0581","","","0.1437","0.159","","","","","","1.045","","","","has coordinates","276749","2022-07-11","08:13:42",""
"8105674","7.2786","0.0002","8.1014","0.0003","16.1084","0.0005","76.32","0.001","87.918","0.001","80.784","0.001","911","0.05","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F N O2 S -","- C9 H6 F N O2 S -","- C36 H24 F4 N4 O8 S4 -","4","2","","Brasil, Edikarlos; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia","Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","441","442","10.1515/ncrs-2018-0449","","x-ray","0.71073","MoKα","","0.0319","0.0298","","","0.0836","0.0857","","","","","","1.052","","","","has coordinates","276750","2022-07-11","08:20:11",""
"8105675","11.9615","0.0008","16.5865","0.0007","12.911","0.001","90","","115.879","0.009","90","","2304.7","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-{(E) [3-chloropropyl)imino]}-5-bromo phenol-oxovanadium(IV)","","- C20 H20 Br2 Cl2 N2 O3 V -","- C20 H20 Br2 Cl2 N2 O3 V -","- C80 H80 Br8 Cl8 N8 O12 V4 -","4","1","","Wei, Wei; Wu, Qiong; Zhang, Heng-Qiang; Liu, Rui; Chen, Hong-Li","Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","443","444","10.1515/ncrs-2018-0456","","","0.71073","MoKα","","0.0681","0.0459","","","0.1025","0.1132","","","","","","1.055","","","","has coordinates","276751","2022-07-11","08:23:59",""
"8105676","9.657","0.004","9.679","0.004","24.324","0.009","95.397","0.005","90.138","0.005","119.283","0.005","1971.2","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N2 O Sn2 -","- C46 H38 N2 O Sn2 -","- C92 H76 N4 O2 Sn4 -","2","1","","Sun, Junshan; Kong, Yan","The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","445","447","10.1515/ncrs-2018-0457","","","0.71073","MoKα","","0.0623","0.0369","","","0.0743","0.0873","","","","","","1.042","","","","has coordinates","276752","2022-07-11","08:37:29",""
"8105677","9.8281","0.0002","11.8792","0.0002","21.1568","0.0004","90","","91.1599","0.0019","90","","2469.55","0.08","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl3 N1.5 O4 Tb0.5 -","- C9 H5 Cl3 N1.5 O4 Tb0.5 -","- C72 H40 Cl24 N12 O32 Tb4 -","8","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Li, Xiao-Ling","Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2 O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2 O:O′)terbium(III), C18H10Cl6N3O8Tb","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","449","450","10.1515/ncrs-2018-0461","","x-ray","0.71073","MoKα","","0.0202","0.0196","","","0.047","0.0473","","","","","","1.05","","","","has coordinates","276753","2022-07-11","08:45:55",""
"8105678","26.803","0.005","5.8243","0.0012","16.893","0.003","90","","98.53","0.03","90","","2608","0.9","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine","","- C34 H31 N3 O -","- C34 H31 N3 O -","- C136 H124 N12 O4 -","4","1","","Bo, Zhao; Lin, Cai; Jiewei, Luo","The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","451","452","10.1515/ncrs-2018-0463","","","0.71073","MoKα","","0.1092","0.0759","","","0.1791","0.2028","","","","","","1.095","","","","has coordinates","276754","2022-07-11","08:49:31",""
"8105679","11.0791","0.0005","11.5747","0.0005","12.4037","0.0006","77.782","0.004","86.304","0.004","69.491","0.004","1455.97","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Cu N2 O7 -","- C33 H28 Cu N2 O7 -","- C66 H56 Cu2 N4 O14 -","2","1","","Ren-Shu, Wang; Jing, Feng","The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2 O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","453","454","10.1515/ncrs-2018-0464","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.077","0.083","","","","","","1.032","","","","has coordinates","276755","2022-07-11","08:53:18",""
"8105680","9.4083","0.0004","17.1334","0.0008","31.9251","0.0014","90","","90","","90","","5146.2","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Cl2 N3 O Pd -","- C25 H31 Cl2 N3 O Pd -","- C200 H248 Cl16 N24 O8 Pd8 -","8","1","","Sun, Kai-Xin; Wu, Xiang-Ting; Li, Guo-Xing","Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","455","456","10.1515/ncrs-2018-0466","","","0.71073","MoKα","","0.0748","0.06","","","0.1163","0.1232","","","","","","1.242","","","","has coordinates","276756","2022-07-11","09:05:48",""
"8105681","9.5201","0.0006","12.1701","0.0008","12.8721","0.0007","79.949","0.005","88.35","0.005","75.893","0.006","1424.05","0.16","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C80 H52 N8 -","2","1","","Al-Dies, Al-Anood M.; Asiri, Abdullah M.; Khan, Salman A.; Tiekink, Edward R.T.","Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","457","459","10.1515/ncrs-2018-0471","","","0.71073","MoKα","","0.0835","0.0519","","","0.1188","0.1403","","","","","","1.015","","","","has coordinates","276757","2022-07-11","09:08:48",""
"8105682","9.1462","0.0004","9.9732","0.0005","13.5252","0.0006","90.098","0.002","91.031","0.002","109.874","0.002","1160.02","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate","","- C8 H13 N5 O5 -","- C8 H13 N5 O5 -","- C32 H52 N20 O20 -","4","2","","Kloda, Matouš; Matulková, Irena; Císařová, Ivana; Němec, Ivan","The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","461","463","10.1515/ncrs-2018-0472","","","0.71073","MoKα","","0.0475","0.0392","","","0.0972","0.1015","","","","","","1.086","","","","has coordinates","276758","2022-07-11","09:17:35",""
"8105683","10.1233","0.0005","12.1414","0.0007","13.742","0.0007","90","","98.389","0.005","90","","1670.97","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C44 H34 N4 -","- C44 H34 N4 -","- C88 H68 N8 -","2","1","","Al-Dies, Al-Anood M.; Asiri, Abdullah M.; Khan, Salman A.; Tiekink, Edward R.T.","Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","465","467","10.1515/ncrs-2018-0473","","","0.71073","MoKα","","0.0693","0.0452","","","0.1024","0.1136","","","","","","1.001","","","","has coordinates","276759","2022-07-11","09:22:24",""
"8105684","9.4531","0.0003","40.9487","0.0015","7.5118","0.0003","90","","95.11","0.003","90","","2896.2","0.18","287.15","0.1","287.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 Br2 F4 I2 N4 -","- C30 H14 Br2 F4 I2 N4 -","- C120 H56 Br8 F16 I8 N16 -","4","1","","Dang, Limin; Huang, Saijin; Yin, Aiwu","Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","469","471","10.1515/ncrs-2018-0478","","x-ray","0.71073","MoKα","","0.0581","0.041","","","0.0764","0.0828","","","","","","1.06","","","","has coordinates","276760","2022-07-11","09:27:28",""
"8105685","11.309","0.003","19.477","0.005","11.615","0.003","90","","109.071","0.009","90","","2418","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Co N3 O6 -","- C27 H24 Co N3 O6 -","- C108 H96 Co4 N12 O24 -","4","1","","Cuihong, Zhang; Yuan, Ge; Xiaoping, Huo; Liguo, Yang; Xin, Li; Zongcheng, Miao","Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2 N,O)cobalt(III), C27H24N3O6Co","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","473","474","10.1515/ncrs-2018-0479","","","0.71073","MoKα","","0.0323","0.0296","","","0.0812","0.0845","","","","","","1.093","","","","has coordinates","276761","2022-07-11","09:32:40",""
"8105686","7.0779","0.0006","19.0203","0.0016","14.7233","0.0012","90","","103.157","0.001","90","","1930.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl Fe N2 O4 -","- C22 H18 Cl Fe N2 O4 -","- C88 H72 Cl4 Fe4 N8 O16 -","4","1","","Cuihong, Zhang; Yuan, Ge; Xiaoping, Huo; Liguo, Yang; Xin, Li; Zongcheng, Miao","Crystal structure of chlorido-(6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(3-methoxyphenolato)-κ4 O,N,N′,O′)iron(III), C22H18ClN2FeO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","475","476","10.1515/ncrs-2018-0480","","","0.71073","MoKα","","0.0299","0.0278","","","0.1","0.1037","","","","","","0.953","","","","has coordinates","276762","2022-07-11","09:35:34",""
"8105754","13.5247","0.0006","15.3257","0.0007","20.6985","0.0008","90","","101.863","0.001","90","","4198.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 Cd2 Cl4 N8 O12 S4 -","- C88 H64 Cd2 Cl4 N8 O12 S4 -","- C176 H128 Cd4 Cl8 N16 O24 S8 -","2","0.5","","Ding, Yong-Jie; Zhao, Chun-Xiang; Hu, Si-Shi; Wang, Peng-Hui; Ye, Chen-Cheng; Jia, Hua-Li; Chen, Guang-Ying","Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3 O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2 O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","477","479","10.1515/ncrs-2018-0482","","","0.71073","MoKα","","0.0952","0.0484","","","0.0831","0.0967","","","","","","1.034","","","","has coordinates","277591","2022-09-02","08:24:28",""
"8105755","13.113","0.003","7.1325","0.0004","19.527","0.003","90","","103.628","0.002","90","","1774.9","0.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 Cu N6 -","- C17 H12 Cl2 Cu N6 -","- C68 H48 Cl8 Cu4 N24 -","4","1","","Zhang, Lili; Gu, Xuefan; Xue, Ming; Qu, Chengtun; Ma, Yun; Chen, Gang","Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2 N:N′)] copper(II), C17H12N6Cl2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","481","482","10.1515/ncrs-2018-0483","","","0.71073","MoKα","","0.0471","0.031","","","0.0621","0.0682","","","","","","1.013","","","","has coordinates","277592","2022-09-02","08:28:50",""
"8105756","11.2656","0.0009","17.1737","0.0014","8.7774","0.0007","90","","98.194","0.001","90","","1680.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 Cu N3 O3 -","- C16 H13 Cl2 Cu N3 O3 -","- C64 H52 Cl8 Cu4 N12 O12 -","4","1","","Feng, Xuan; Yang, Zhannan; Li, Xin-Hua","Crystal structure of dichlorido-([2,2′:6′,2′′-terpyridine]-4′-carboxylic acid-κ3 N,N′,N′′)copper(II) monohydrate, C16H13Cl2CuN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","483","484","10.1515/ncrs-2018-0487","","","0.71073","MoKα","","0.0306","0.027","","","0.0822","0.0852","","","","","","1.07","","","","has coordinates","277594","2022-09-02","08:51:56",""
"8105757","3.7933","0.0005","7.6762","0.0011","15.534","0.002","79.109","0.002","89.864","0.002","78.122","0.002","434.35","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H5 Ag O6 -","- C9 H5 Ag O6 -","- C18 H10 Ag2 O12 -","2","1","","Tong, Ling; Tian, Dong","The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4 O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","489","491","10.1515/ncrs-2018-0489","","","0.71073","MoKα","","0.0398","0.0302","","","0.0611","0.065","","","","","","1.027","","","","has coordinates","277792","2022-09-13","07:44:44",""
"8105758","14.347","0.004","9.907","0.003","17.834","0.005","90","","108.388","0.004","90","","2405.4","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N3 O0 S3 Sn -","- C25 H19 N3 S3 Sn -","- C100 H76 N12 S12 Sn4 -","4","1","","Sun, Junshan","Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","493","494","10.1515/ncrs-2018-0490","","","0.71073","MoKα","","0.049","0.0287","","","0.066","0.0777","","","","","","1.001","","","","has coordinates","277793","2022-09-13","07:47:07",""
"8105759","9.2687","0.0004","9.7747","0.0006","12.0131","0.0006","87.947","0.004","82.062","0.004","67.258","0.005","993.95","0.1","292.6","0.3","292.6","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl2 Co0.5 N3 O3 -","- C19 H18 Cl2 Co0.5 N3 O3 -","- C38 H36 Cl4 Co N6 O6 -","2","1","","Ling-Yun, Xin; Zhou-Ru, Ji; Rong-Rong, Guo","Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1 O)-bis(1,3-di(pyridin-4-yl)propane-κ1 N)cobalt(II), C38H36Cl4N6O6Co","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","495","497","10.1515/ncrs-2018-0491","","x-ray","0.71073","MoKα","","0.0461","0.0397","","","0.0848","0.0881","","","","","","1.042","","","","has coordinates","277794","2022-09-13","07:53:47",""
"8105760","44.71","0.007","12.8847","0.0017","11.9901","0.0018","90","","102.286","0.013","90","","6749","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Cu3 N4 O32 -","- C62 H70 Cu3 N4 O32 -","- C248 H280 Cu12 N16 O128 -","4","0.5","","Deng, Peng; Li, Da; Zhou, Yan; Ling, Zhi-Hong; Li, Yue-Ming","Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2 N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1 O)tricopper(II) - water (1/4), C62H70Cu3N4O32","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","499","501","10.1515/ncrs-2018-0493","","","0.71073","MoKα","","0.1268","0.0618","","","0.1567","0.1978","","","","","","0.964","","","","has coordinates","277797","2022-09-13","08:34:08",""
"8105761","14.1678","0.0016","14.3469","0.0018","19.335","0.002","90","","90","","90","","3930.1","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H22 Mn N2 O6 -","- C20 H22 Mn N2 O6 -","- C160 H176 Mn8 N16 O48 -","8","1","","Cuihong, Zhang; Xiaohu, Wei; Liguo, Yang; Zhenzhen, He; Xin, Li; Zongcheng, Miao","Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3 O,N,O′)manganes(IV), C20H22N2O6Mn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","503","504","10.1515/ncrs-2018-0495","","","0.71073","MoKα","","0.057","0.0504","","","0.137","0.1441","","","","","","1.163","","","","has coordinates","277798","2022-09-13","08:45:02",""
"8105762","17.353","0.004","11.474","0.002","18.074","0.004","90","","101.056","0.002","90","","3531.9","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Co N5 O8 -","- C36 H40 Co N5 O8 -","- C144 H160 Co4 N20 O32 -","4","1","","Cuihong, Zhang; Yuan, Ge; Xiaoping, Huo; Liguo, Yang; Xin, Li; Zongcheng, Miao","Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3 N,N′,O)cobalt(III), C36H40N5O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","505","507","10.1515/ncrs-2018-0497","","","0.71073","MoKα","","0.0663","0.0464","","","0.1168","0.1323","","","","","","1.02","","","","has coordinates,has disorder","277799","2022-09-13","08:47:47",""
"8105763","10.6897","0.0005","10.559","0.0005","17.4099","0.0009","90","","105.491","0.002","90","","1893.71","0.16","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Bi N2 O3 -","- C20 H23 Bi N2 O3 -","- C80 H92 Bi4 N8 O12 -","4","1","","Tan, Nianyuan; Wu, Shuisheng; Huiqiong, Yang; Lan, Donghui; Au, Chak-Tong; Yi, Bing","Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","509","511","10.1515/ncrs-2018-0507","","","0.71073","MoKα","","0.0344","0.0253","","","0.0542","0.0576","","","","","","1.065","","","","has coordinates","277800","2022-09-13","08:52:59",""
"8105764","14.805","0.003","10.0557","0.0018","18.061","0.003","90","","98.935","0.005","90","","2656.2","0.8","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 N2 O3 -","- C28 H48 N2 O3 -","- C112 H192 N8 O12 -","4","2","","Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Chen; Du, Jiang","Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","513","516","10.1515/ncrs-2018-0511","","","0.71073","MoKα","","0.109","0.0674","","","0.1663","0.1955","","","","","","0.97","","","","has coordinates","277801","2022-09-13","09:22:34",""
"8105765","27.967","0.007","5.929","0.0013","19.698","0.005","90","","118.122","0.003","90","","2880.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N3 S -","- C14 H12 Cl N3 S -","- C112 H96 Cl8 N24 S8 -","8","1","","Liu, Chao","Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","517","518","10.1515/ncrs-2018-0515","","","0.71073","MoKα","","0.0536","0.0369","","","0.1012","0.1082","","","","","","1.068","","","","has coordinates","277802","2022-09-13","09:27:32",""
"8105766","7.5177","0.001","12.4761","0.0016","16.118","0.002","90","","90","","90","","1511.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Chen, Shi-Jun; Zhu, Hao; Zhang, Meng-Meng; Xu, Wen-Wu; Wang, Yu-Cai; Zhang, Zhi-Fei","Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","519","520","10.1515/ncrs-2018-0516","","","0.71073","MoKα","","0.0528","0.0424","","","0.0917","0.0967","","","","","","1.077","","","","has coordinates","277803","2022-09-13","09:30:37",""
"8105767","7.9457","0.0007","8.719","0.0009","9.9964","0.001","100.254","0.008","100.036","0.008","94.76","0.008","666.39","0.12","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C26 H30 N2 O10 -","2","1","","Li, Guo-Qiang; Li, Yun-Yi; Zhao, Yi-Ting; Xu, Qing-Peng; Li, Yao-Lan; Wang, Guo-Cai","Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","521","522","10.1515/ncrs-2018-0517","","x-ray","1.54184","CuKα","","0.0514","0.0453","","","0.118","0.1243","","","","","","1.046","","","","has coordinates","277804","2022-09-13","09:33:30",""
"8105768","9.7643","0.0012","15.44","0.002","13.6274","0.0013","90","","122.253","0.006","90","","1737.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ni O10 -","- C16 H22 Ni O10 -","- C64 H88 Ni4 O40 -","4","1","","Jin, Lanlan; Tao, Defu; Hu, Rongyue; Pang, Haixia","Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","523","525","10.1515/ncrs-2018-0528","","","0.71073","MoKα","","0.0518","0.0382","","","0.1138","0.1282","","","","","","1.057","","","","has coordinates","277826","2022-09-14","08:57:55",""
"8105769","7.9827","0.0003","12.6787","0.0006","14.0183","0.0009","90","","90.903","0.005","90","","1418.62","0.13","298","2","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 N2 O9 -","- C30 H44 N2 O9 -","- C60 H88 N4 O18 -","2","1","","Li, Guo-Qiang; Xu, Qing-Peng; Zhao, Yi-Ting; Li, Yun-Yi; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of ajacisine D monohydrate, C30H44N2O9","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","527","529","10.1515/ncrs-2018-0531","","x-ray","0.71073","MoKα","","0.1012","0.0607","","","0.1107","0.1298","","","","","","1.023","","","","has coordinates","277827","2022-09-14","09:02:41",""
"8105770","8.503","0.0009","7.6199","0.0008","18.738","0.002","90","","92.852","0.002","90","","1212.6","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Shi, Xiao-Ming; Li, Shu-Jing; Xiao, Li-Na; Cai, Bin; Peng, Peng","The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","531","532","10.1515/ncrs-2018-0540","","","0.71073","MoKα","","0.0516","0.0413","","","0.1156","0.1247","","","","","","1.045","","","","has coordinates","277828","2022-09-14","09:05:56",""
"8105771","12.6503","0.0009","8.0959","0.0006","22.9723","0.0014","90","","99.424","0.006","90","","2321","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H9 Co N3 O4 -","- C11 H9 Co N3 O4 -","- C88 H72 Co8 N24 O32 -","8","1","","Li, Xiao-Jun; Zeng, Xu-Li; Che, Li-Rui; Xu, Zhen","Crystal structure of poly[(μ 4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4 N,N′,O,O′)(formiato-κ1 O)cobalt(II)], C11H9CoN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","533","534","10.1515/ncrs-2018-0541","","x-ray","1.54184","CuKα","","0.0435","0.037","","","0.0974","0.1101","","","","","","1.088","","","","has coordinates","277829","2022-09-14","09:09:17",""
"8105772","15.331","0.0005","15.6093","0.0004","15.9394","0.0005","90","","109.132","0.004","90","","3603.7","0.2","104","","104","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H112 N4 O29 V6 -","- C58 H112 N4 O29 V6 -","- C116 H224 N8 O58 V12 -","2","0.5","","Xiao, Zicheng; Huang, Bo; Hu, Xiaokang; Wu, Pingfan","The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","535","537","10.1515/ncrs-2018-0542","","","0.71073","MoKα","","0.0847","0.0579","","","0.1315","0.145","","","","","","1.052","","","","has coordinates","277830","2022-09-14","09:13:03",""
"8105773","13.1119","0.0007","13.5673","0.0008","11.7167","0.0005","90","","99.714","0.007","90","","2054.44","0.19","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N4 Pt -","- C20 H24 Cl2 N4 Pt -","- C80 H96 Cl8 N16 Pt4 -","4","1","","Kiwada, Tatsuto; Katakasu, Hiromu; Odani, Akira","Crystal structure of (N-benzylpropane-1,3-diamine-κ 2 N, N′)(2,2′-bipyridine-κ 2 N,N′)platinum(II) chloride, C20H24Cl2N4Pt","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","539","541","10.1515/ncrs-2018-0543","","","0.71075","MoKα","","0.0316","0.0233","","","0.0497","0.0516","","","","","","1.054","","","","has coordinates","277861","2022-09-15","07:52:26",""
"8105774","10.0503","0.0006","17.5265","0.0009","22.8763","0.0016","90","","91.554","0.006","90","","4028.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl N5 O -","- C23 H16 Cl N5 O -","- C184 H128 Cl8 N40 O8 -","8","2","","Alotaibi, Mohammad Hayal; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","543","545","10.1515/ncrs-2018-0546","","","0.71073","MoKα","","0.188","0.0748","","","0.1726","0.2274","","","","","","1.003","","","","has coordinates","277862","2022-09-15","07:56:52",""
"8105775","31.125","0.003","31.125","0.003","10.133","0.002","90","","90","","120","","8501","2","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H14 Cu N4 O6 S -","- C18 H14 Cu N4 O6 S -","- C324 H252 Cu18 N72 O108 S18 -","18","1","","Liu, Zheng-Jun; Chen, Xiao-Miao; Cheng, Jing-Song; Deng, Tao-Li; Qin, Lan","Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3 N: O:O′)(μ2-4,4′-bipyridine-κ2 N:N′)copper(II)], C18H14CuN4O6S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","547","548","10.1515/ncrs-2018-0550","","","0.71073","MoKα","","0.0494","0.0346","","","0.0839","0.09","","","","","","1.043","","","","has coordinates","277863","2022-09-15","08:17:58",""
"8105776","31.014","0.011","31.014","0.011","10.125","0.007","90","","90","","120","","8434","7","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H14 N4 Ni O6 S -","- C18 H14 N4 Ni O6 S -","- C324 H252 N72 Ni18 O108 S18 -","18","1","","Liu, Zheng-Jun; Chen, Xiao-Miao; Cheng, Jing-Song; Deng, Tao-Li; Qin, Lan","Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3 N:O:O′)(μ2-4,4′-bipyridine-κ2 N:N′) nickel(II)], C18H14NiN4O6S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","549","550","10.1515/ncrs-2018-0551","","","0.71073","MoKα","","0.0625","0.038","","","0.0848","0.0941","","","","","","1.041","","","","has coordinates","277864","2022-09-15","08:20:54",""
"8105777","6.53","0.002","11.728","0.004","35.236","0.012","90","","90","","90","","2698.5","1.5","220","","220","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N2 O -","- C31 H48 N2 O -","- C124 H192 N8 O4 -","4","1","","Tan, Bo; Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Cheng; Du, Jiang","Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","551","553","10.1515/ncrs-2018-0557","","","0.71073","MoKα","","0.0724","0.0492","","","0.0937","0.1034","","","","","","0.921","","","","has coordinates","277865","2022-09-15","08:24:38",""
"8105778","8.7287","0.0006","31.5431","0.0018","9.5605","0.0006","90","","108.893","0.002","90","","2490.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl2 N3 O2 Pd -","- C23 H29 Cl2 N3 O2 Pd -","- C92 H116 Cl8 N12 O8 Pd4 -","4","1","","Sun, Kai-Xin; Wu, Xiang-Ting; Li, Guo-Xing","The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","555","557","10.1515/ncrs-2018-0558","","","0.71073","MoKα","","0.0508","0.0438","","","0.0992","0.1033","","","","","","1.135","","","","has coordinates","277913","2022-09-16","09:08:06",""
"8105779","11.441","0.002","13.422","0.002","14.37","0.003","101.129","0.003","99.587","0.003","114.972","0.003","1884.9","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Br4 N8 O2 Zn2 -","- C34 H32 Br4 N8 O2 Zn2 -","- C68 H64 Br8 N16 O4 Zn4 -","2","1","","Pang, Haixia","Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O}zinc(II)], C34H32Br4N8O2Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","559","561","10.1515/ncrs-2018-0559","","","0.71073","MoKα","","0.1314","0.051","","","0.1267","0.1775","","","","","","0.941","","","","has coordinates","277914","2022-09-16","09:11:04",""
"8105780","7.4399","0.0009","9.5362","0.0011","13.1754","0.0015","73.589","0.002","84.396","0.002","74.709","0.002","864.68","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cl2 Co2 N6 O6 -","- C36 H36 Cl2 Co2 N6 O6 -","- C36 H36 Cl2 Co2 N6 O6 -","1","0.5","","Pang, Haixia; He, Xiong; Feng, Xiang; Yuan, Ximing","Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4 O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","563","565","10.1515/ncrs-2018-0560","","","0.71073","MoKα","","0.0384","0.0306","","","0.0848","0.1068","","","","","","1.124","","","","has coordinates","277915","2022-09-16","09:14:14",""
"8105781","17.6153","0.0006","6.6922","0.0002","24.133","0.0009","90","","107.899","0.004","90","","2707.23","0.17","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 N3 O6 Zn -","- C12 H12 N3 O6 Zn -","- C96 H96 N24 O48 Zn8 -","8","1","","Feng-Yang, Ju; Ke-Xin, Ding; Fang, Liu","Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2 N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2 O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","567","569","10.1515/ncrs-2018-0565","","x-ray","0.71073","MoKα","","0.0319","0.0262","","","0.0663","0.0691","","","","","","1.047","","","","has coordinates","277916","2022-09-16","09:17:21",""
"8105782","8.1022","0.0014","9.6916","0.0017","10.2476","0.0017","78.346","0.004","68.657","0.004","71.167","0.004","706.1","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide","","- C12 H6 Cl2 N4 O5 -","- C12 H6 Cl2 N4 O5 -","- C24 H12 Cl4 N8 O10 -","2","1","","Cao, Junyan; Wang, Jianlong; Chen, Jun; Zhang, Xiyu; Qin, Zhiang","The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","571","572","10.1515/ncrs-2018-0570","","","0.71073","MoKα","","0.0411","0.0356","","","0.1052","0.1109","","","","","","1.05","","","","has coordinates","277917","2022-09-16","09:19:54",""
"8105783","8.1588","0.0005","7.867","0.0004","10.2161","0.0005","90","","90.52","0.004","90","","655.7","0.06","290","","290","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O S -","- C16 H14 O S -","- C32 H28 O2 S2 -","2","1","","Liu, Jin-Qiang; Ji, Li; Wang, Weizhou","Crystal structure of 2-isopropylthioxanthone, C16H14OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","573","574","10.1515/ncrs-2018-0576","","x-ray","0.71073","MoKα","","0.0617","0.0539","","","0.1245","0.1312","","","","","","1.037","","","","has coordinates","277918","2022-09-16","09:23:51",""
"8105784","14.734","0.006","13.565","0.005","33.385","0.012","90","","91.311","0.009","90","","6671","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C304 H272 N80 O32 -","16","2","","Fang, Bo; Meng, Jiang Ping; Gan, Lin Ling","Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","575","577","10.1515/ncrs-2018-0580","","","0.71073","MoKα","","0.162","0.0638","","","0.1438","0.1783","","","","","","0.899","","","","has coordinates","277919","2022-09-16","09:26:31",""
"8105785","10.6224","0.0009","11.8639","0.0009","13.3139","0.0011","90","","105.903","0.003","90","","1613.6","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 F3 N2 O0 -","- C6 H9 F3 N2 -","- C48 H72 F24 N16 -","8","2","","Said, A. Musa; Warad, Ismail; Alzahrani, O. Seraj; Zarrouk, Abdelkader; Lentz, Dieter","Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","579","580","10.1515/ncrs-2018-0582","","","0.71073","MoKα","","0.0729","0.0618","","","0.1531","0.1629","","","","","","1.03","","","","has coordinates","277920","2022-09-16","09:29:01",""
"8105786","7.095","0.004","11.882","0.007","13.661","0.008","95.004","0.009","104.918","0.009","107.323","0.009","1045.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N O8 S -","- C22 H21 N O8 S -","- C44 H42 N2 O16 S2 -","2","1","","Li, Wu-Wu; Zheng, Min-Yan; Ying, Guo; Jiang, Yan-Ping; Wang, Qiao; Wang, Mei; Ji, Min-Xiang; Zhang, Yu-Tao; Zhang, Zun-Ting","Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","581","583","10.1515/ncrs-2018-0585","","","0.71073","MoKα","","0.1607","0.0627","","","0.131","0.1745","","","","","","0.978","","","","has coordinates","277921","2022-09-16","09:31:34",""
"8105787","25.4","0.004","5.9738","0.001","12.746","0.002","90","","94.318","0.002","90","","1928.5","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","","Li-Min, Fang; Jian-Ping, Huang; Jian-Cheng, Dai; Xu-Liang, Nie; Chang-Xiang, Liu; Nian-Qian, Kang; Lin, Huang","Crystal structure of methyl 4-acetoxybenzoate, C10H10O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","585","586","10.1515/ncrs-2018-0591","","","0.71073","MoKα","","0.051","0.0434","","","0.1167","0.1276","","","","","","1.051","","","","has coordinates","277922","2022-09-16","09:34:04",""
"8105788","9.1383","0.0004","9.5039","0.0006","10.5526","0.0006","91.564","0.004","94.624","0.005","91.737","0.004","912.68","0.09","124.95","0.1","124.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Mn N14 O2 S2 -","- C34 H40 Mn N14 O2 S2 -","- C34 H40 Mn N14 O2 S2 -","1","0.5","","Wang, Mengyang; Yang, Kaiqiang; Wang, Yujiu; Ying, Ying","Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ 2 N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","587","588","10.1515/ncrs-2018-0603","","","0.71073","MoKα","","0.0467","0.0374","","","0.0836","0.091","","","","","","1.044","","","","has coordinates","277923","2022-09-16","09:36:59",""
"8105789","7.3979","0.0004","8.5384","0.0004","18.2771","0.001","90","","90.999","0.003","90","","1154.32","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","589","591","10.1515/ncrs-2019-0045","","","0.71073","MoKα","","0.0527","0.0409","","","0.1015","0.1093","","","","","","1.025","","","","has coordinates","277924","2022-09-16","09:39:44",""
"8105790","7.1841","0.0006","23.3361","0.0017","7.1672","0.0005","90","","90","","90","","1201.57","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 F N2 O -","- C14 H13 F N2 O -","- C56 H52 F4 N8 O4 -","4","1","","Bai, Ling; Hong, Yong; Liu, Wei; Wu, Jie","Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-5-fluorophenol, C14H13FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","593","594","10.1515/ncrs-2018-0072","","","0.71073","MoKα","","0.0543","0.0437","","","0.1052","0.1112","","","","","","1.042","","","","has coordinates","277979","2022-09-19","08:39:56",""
"8105791","3.9631","0.0003","24.119","0.002","13.6138","0.0011","90","","91.185","0.003","90","","1301.01","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N2 O -","- C14 H12 Cl2 N2 O -","- C56 H48 Cl8 N8 O4 -","4","1","","Zong, Heyun; Hong, Yong; Liu, Wei; Wu, Jie","Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4,6-dichlorophenol, C14H12Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","595","596","10.1515/ncrs-2018-0073","","","0.71073","MoKα","","0.1484","0.0586","","","0.0956","0.1171","","","","","","1.005","","","","has coordinates","277980","2022-09-19","08:42:59",""
"8105792","27.748","0.005","5.6488","0.001","16.437","0.003","90","","93.393","0.003","90","","2571.9","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N4 O3 -","- C13 H12 N4 O3 -","- C104 H96 N32 O24 -","8","1","","Gao, Dong-Mei; Liu, Lu; Tang, Meng; He, Chunting; Du, Zhen-Ting","The crystal structure of (E)-1-(4-methoxyphenyl)-3-(2-nitrophenyl)triaz-1-ene C8H8N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","597","598","10.1515/ncrs-2018-0234","","","0.71073","MoKα","","0.0394","0.033","","","0.0902","0.0963","","","","","","1.046","","","","has coordinates","277992","2022-09-20","08:24:29",""
"8105793","9.1179","0.0002","9.3291","0.0003","18.4706","0.0006","91.187","0.003","95.764","0.002","102.256","0.002","1526.14","0.08","105.7","0.5","105.7","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Br N5 O3 -","- C33 H34 Br N5 O3 -","- C66 H68 Br2 N10 O6 -","2","1","","Xing, Ai-Ping; Zeng, Dai","Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(ethylamino)-2′,7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one—methanol (1:1), C32H30N5O2Br ⋅ CH4O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","599","601","10.1515/ncrs-2018-0500","","x-ray","1.54184","CuKα","","0.0371","0.0357","","","0.0942","0.0954","","","","","","1.033","","","","has coordinates","277993","2022-09-20","08:29:05",""
"8105794","13.2406","0.0003","21.0883","0.0005","7.1364","0.0002","90","","90","","90","","1992.64","0.09","173","2","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-Pentanedione Bis(2,4-dinitrophenylhydrazone)","","- C17 H16 N8 O8 -","- C17 H16 N8 O8 -","- C68 H64 N32 O32 -","4","1","","Akpan, Ekemini D.; Zamisa, Sizwe J.; Omondi, Bernard","Crystal structure of 2,4-pentanedione bis(2,4-dinitrophenylhydrazone), C17H16N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","603","604","10.1515/ncrs-2018-0509","","","0.71073","MoKα","","0.0301","0.0285","","","0.079","0.0802","","","","","","1.06","","","","has coordinates","277995","2022-09-20","08:34:13",""
"8105795","28.8222","0.0013","5.6782","0.0003","12.381","0.0006","90","","102.074","0.002","90","","1981.43","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 N Na O3 S2 -","- C5 H12 N Na O3 S2 -","- C40 H96 N8 Na8 O24 S16 -","8","2","","Solomane, Nolwazi; Ajibade, Peter A.; Omondi, Bernard","Crystal structure of sodium morpholine-4-carbodithioate, (C5H12NNaO3S2)","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","605","607","10.1515/ncrs-2018-0512","","x-ray","0.71073","MoKα","","0.0283","0.0269","","","0.0584","0.0591","","","","","","1.208","","","","has coordinates,has disorder","277996","2022-09-20","08:37:25",""
"8105796","8.7921","0.0012","16.173","0.002","9.1376","0.0012","90","","111.236","0.001","90","","1211.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 F12 N4 P2 -","- C16 H28 F12 N4 P2 -","- C32 H56 F24 N8 P4 -","2","0.5","","Wen, Zhao; Jing, Chen; Wan-Ming, Xiong; Ying-Dong, Lan; Xu-Liang, Nie","Crystal structure of 1,1′-(hexane-1,6-diyl)bis(3-ethyl-1H-imidazol-3-ium) bis(hexafluorido phosphate), C16H28F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","609","611","10.1515/ncrs-2018-0527","","","0.71073","MoKα","","0.059","0.0475","","","0.1197","0.1262","","","","","","1.061","","","","has coordinates,has disorder","277997","2022-09-20","08:40:24",""
"8105797","20.286","0.004","5.3827","0.0011","16.254","0.003","90","","104.95","0.03","90","","1714.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F N2 -","- C21 H16 Cl F N2 -","- C84 H64 Cl4 F4 N8 -","4","1","","Shen, Zhenpeng; Liu, E.; Tian, Xinzhe; Jian, Fangfang","Crystal structure of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole, C21H16ClFN2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","613","615","10.1515/ncrs-2018-0553","","","0.71073","MoKα","","0.066","0.0548","","","0.1138","0.1199","","","","","","1.087","","","","has coordinates,has disorder","277998","2022-09-20","08:43:45",""
"8105798","6.5186","0.001","9.4111","0.0014","12.1777","0.0018","79.365","0.002","77.535","0.002","89.226","0.002","716.66","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O12 -","- C26 H28 Co N4 O12 -","- C26 H28 Co N4 O12 -","1","0.5","","Han, Min-Le","Crystal structure of catena-poly[diaqua-bis(3-carboxy-5-methoxybenzoato-κO)-(1,2-bis(imidazol-1-yl)ethane-κ2 N:N′)cobalt(II)], C26H28CoN4O12, [Co(C9H6O5)2(H2O)2(C8H10N4)]","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","617","618","10.1515/ncrs-2018-0555","","","0.71073","MoKα","","0.0348","0.0304","","","0.0743","0.0778","","","","","","1.043","","","","has coordinates","277999","2022-09-20","09:08:45",""
"8105799","12.737","0.0005","11.4565","0.0007","10.043","0.0006","90","","103.34","0.001","90","","1425.95","0.13","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Wu-Lan, Zeng; Wan, Xin","The crystal structure of 3-cyclohexyl-1,5-dioxaspiro[5.5]undecane-2,4-dione, C15H22O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","619","620","10.1515/ncrs-2018-0572","","","0.71073","MoKα","","0.0677","0.0508","","","0.1272","0.1406","","","","","","1.019","","","","has coordinates","278000","2022-09-20","09:11:22",""
"8105800","8.0017","0.0002","11.1702","0.0003","17.8353","0.0004","104.9","0.001","96.536","0.001","97.738","0.001","1508.05","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,4-dimethoxybenzyl-triphenylphosphonium trifluoroacetate trifluoroacetic acid","","- C31 H27 F6 O6 P -","- C31 H27 F6 O6 P -","- C62 H54 F12 O12 P2 -","2","1","","Smit, Jireh B.M.; Marais, Charlene; Malan, Frederick P.; Bezuidenhout, Barend C.B.","Crystal structure of (2,4-dimethoxybenzyl)triphenylphosphonium trifluoroacetate — trifluoroacetic acid (1/1), C31H27F6O6P","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","621","623","10.1515/ncrs-2018-0573","","","1.54178","CuKα","","0.04","0.0354","","","0.0863","0.0896","","","","","","1.038","","","","has coordinates,has disorder","278001","2022-09-20","09:14:04",""
"8105801","22.2821","0.0008","10.8464","0.0004","10.8509","0.0004","90","","90","","90","","2622.45","0.17","100","2","100.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C112 H152 N24 -","8","2","","Yerima, Iliya B.; Zamisa, Sizwe J.; Bala, Muhammad D.","Crystal structure of 4-tert-butyl-1-(2,6-dimethylphenyl)-1H-1,2,3-triazole, C14H19N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","625","627","10.1515/ncrs-2018-0574","","","0.71073","MoKα","","0.0331","0.0318","","","0.0853","0.0865","","","","","","1.04","","","","has coordinates","278002","2022-09-20","09:16:36",""
"8105802","20.7559","0.001","9.3427","0.0005","27.6827","0.0012","90","","90","","90","","5368.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl6 Co N2 -","- C20 H30 Cl6 Co N2 -","- C160 H240 Cl48 Co8 N16 -","8","1","","Ayom, Gwaza E.; Zamisa, Sizwe J.; Van Zyl, Werner E.","Crystal structure of 1,1′-methylenebis(4-tert-butylpyridinium) tetrachloridocobaltate(II) – dichloromethane (1:1), C20H30Cl6CoN2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","629","631","10.1515/ncrs-2018-0581","","","0.71073","MoKα","","0.0333","0.0235","","","0.0573","0.0593","","","","","","1.029","","","","has coordinates,has disorder","278003","2022-09-20","09:19:50",""
"8105803","22.27","0.004","13.648","0.002","10.006","0.002","90","","111.222","0.003","90","","2835","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N6 Ni O4 -","- C32 H26 N6 Ni O4 -","- C128 H104 N24 Ni4 O16 -","4","0.5","","Wei, Wei; Wu, Qiong; Zhang, Heng-Qiang; Jin, Tong-Yin; Chen, Hong-Li","Crystal structure of (4,4′-(ethane-1,2-diylbis((nitrilo)(2-furylmethylylidene)))bis(3-methyl-1-phenyl-1H-pyrazol-5-olato-κ4 N,N′,O,O′))-nickel(II)), C32H26N6NiO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","633","634","10.1515/ncrs-2018-0584","","","0.71073","MoKα","","0.0666","0.0481","","","0.1335","0.144","","","","","","1.053","","","","has coordinates","278004","2022-09-20","09:22:30",""
"8105804","8.0172","0.0013","10.9003","0.0017","42.154","0.008","90","","94.749","0.006","90","","3671.2","1.1","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cu N4 O4 -","- C44 H38 Cu N4 O4 -","- C176 H152 Cu4 N16 O16 -","4","1","","Huang, Jing; Ma, Jin-Xia; Wei, Ping; Zhao, Ji-Xing","Synthesis and crystal structure of bis{((E)-((4-((E)-1-(benzyloxyimino)ethyl)phenyl)imino)methyl)-2-phenolato-κ2 N,O}copper(II), C44H38CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","635","637","10.1515/ncrs-2018-0589","","","0.71073","MoKα","","0.0748","0.0483","","","0.0983","0.1072","","","","","","1.074","","","","has coordinates","278005","2022-09-20","09:25:39",""
"8105805","10.1837","0.0005","11.2878","0.0006","11.3984","0.0004","90","","90","","90","","1310.26","0.11","290.6","0.2","290.6","0.2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C11 H8 Cl2 Co0.5 N2 O3 -","- C11 H8 Cl2 Co0.5 N2 O3 -","- C44 H32 Cl8 Co2 N8 O12 -","4","1","","Li, Xiao-Ling; Feng, Kai-Xin; Xin, Ling-Yun","Crystal structure of catena-poly[diaqua-bis(3,5-dichloropyridine-4-carboxylato-κ1 O)-bis(μ2-4,4′-bipyridine-κ2 N:N′)cobalt(II)], C22H16Cl4CoN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","639","640","10.1515/ncrs-2018-0592","","x-ray","0.71073","MoKα","","0.0463","0.04","","","0.0879","0.091","","","","","","1.022","","","","has coordinates","278006","2022-09-20","09:28:20",""
"8105806","50.136","0.003","8.1074","0.0005","15.9816","0.0011","90","","91.927","0.002","90","","6492.4","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3,5-dinitrophenyl)diazene 1-oxide","","- C12 H4 Cl2 N6 O9 -","- C12 H4 Cl2 N6 O9 -","- C192 H64 Cl32 N96 O144 -","16","2","","Cao, Junyan; Wang, Jianlong; Li, Min; Zhang, Ke; Li, Shuai; Wan, Zhen","The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3,5-dinitrophenyl)diazene 1-oxide, C12H4Cl2N6O9","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","641","643","10.1515/ncrs-2018-0596","","","0.71073","MoKα","","0.0762","0.0427","","","0.0849","0.0969","","","","","","1.064","","","","has coordinates","278007","2022-09-20","09:32:30",""
"8105807","10.1495","0.0004","8.9769","0.0005","22.1431","0.001","90","","99.901","0.004","90","","1987.43","0.16","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-(1H-benzo[d]imidazol-2-yl)-7-chloro-1-cyclopropyl-6-fluoroquinolin-4(1H)-one DMSO","","- C21 H19 Cl F N3 O2 S -","- C21 H19 Cl F N3 O2 S -","- C84 H76 Cl4 F4 N12 O8 S4 -","4","1","","Rasras, Anas J.; Sinnokrot, Mutasem; AlDamen, Murad A.; Khanfar, Monther A.; Al-Qawasmeh, Raed A.","The crystal structure of 3-(1H-benzo[d]imidazol-2-yl)-7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydroquinolin — dimethylsulfoxide (1/1), C21H19ClFN3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","645","647","10.1515/ncrs-2018-0599","","x-ray","0.71073","MoKα","","0.077","0.0473","","","0.1198","0.1418","","","","","","1.0595","","","","has coordinates","278021","2022-09-21","07:23:09",""
"8105808","13.3238","0.0011","15.9366","0.0013","18.0943","0.0016","90","","90","","90","","3842.1","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl2 N4 Zn -","- C14 H24 Cl2 N4 Zn -","- C112 H192 Cl16 N32 Zn8 -","8","1","","Li, Zongmu","The crystal structure of dichlorido-bis(1-butyl-1H-imidazole-κN)zinc(II), C14H24Cl2ZnN4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","649","651","10.1515/ncrs-2019-0001","","","0.71073","MoKα","","0.0819","0.0393","","","0.0877","0.1053","","","","","","1.038","","","","has coordinates","278022","2022-09-21","07:27:07",""
"8105809","8.5266","0.0003","17.9521","0.0007","11.8709","0.0004","90","","97.288","0.003","90","","1802.4","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C72 H72 Cl8 N8 O8 -","4","1","","Mi, Xia; Zhang, Jingyu; Yang, Jing","(Z)-N-tert-butyl-1-(2-(3,5-dichlorobenzamido)phenyl) methanimine oxide, C18H18Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","653","654","10.1515/ncrs-2019-0005","","x-ray","1.54184","CuKα","","0.0633","0.0515","","","0.1357","0.1497","","","","","","1.034","","","","has coordinates,has disorder","278023","2022-09-21","07:31:29",""
"8105810","8.821","0.002","14.6587","0.0014","14.8211","0.0014","119.608","0.001","95.365","0.001","99.249","0.001","1610.8","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 Br4 N8 Ni O18 -","- C66 H54 Br4 N8 Ni O18 -","- C66 H54 Br4 N8 Ni O18 -","1","0.5","","Han, Min-Le","Crystal structure of diaqua-bis(3-carboxy-5-bromoisophthalato-κO)-bis(1-(3-(1H-benzo[d]imidazol-1-yl)propyl)-1H-benzo[d]imidazol-3-ium-κN)nickel(II) bis(3-carboxy-5-bromoisophthalate), C66H54Br4N8NiO18","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","655","657","10.1515/ncrs-2019-0006","","","0.71073","MoKα","","0.0491","0.0345","","","0.0755","0.0815","","","","","","1.026","","","","has coordinates","278024","2022-09-21","07:35:50",""
"8105811","8.5834","0.0008","10.2975","0.001","22.727","0.002","78.325","0.001","82.934","0.001","69.214","0.001","1836.3","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Co2 N8 O12 -","- C34 H36 Co2 N8 O12 -","- C68 H72 Co4 N16 O24 -","2","1","","Ling, Xun-Li; Wei, Yue-Min; Zhang, Bi-Gang; Han, Min-Le","Crystal structure of poly[aqua(μ2-5-methoxyisophthalato-κ2 O,O′:O′′)-(1,2-bis(imidazol-1′-yl)ethane-κ2 N:N′)cobalt(II), C34H36Co2N8O12","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","659","661","10.1515/ncrs-2019-0007","","","0.71073","MoKα","","0.045","0.0319","","","0.0703","0.0761","","","","","","1.024","","","","has coordinates","278025","2022-09-21","07:43:37",""
"8105812","8.508","0.002","8.659","0.003","12.755","0.004","71.12","0.01","84.432","0.016","88.133","0.016","884.9","0.5","223","2","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Mn N10 O10 -","- C32 H38 Mn N10 O10 -","- C32 H38 Mn N10 O10 -","1","0.5","","Zhu, Xia","Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)manganese(II)] terephthalate tetrahydrate, MnC32H38N10O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","663","664","10.1515/ncrs-2019-0014","","","0.71075","MoKα","","0.0521","0.0371","","","0.0971","0.104","","","","","","0.968","","","","has coordinates","278026","2022-09-21","07:46:51",""
"8105813","20.0584","0.0009","16.1373","0.0007","10.6232","0.0005","90","","93.238","0.004","90","","3433.1","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","5,5'-(methylenebis(azanediyl))bis(1-(2,6-dichloro-4-(trifluoromethyl) phenyl)-4-((trifluoromethyl)sulfinyl)-1<i>H<i>-pyrazole-3-carbonitrile)","","- C12.5 H4 Cl2 F6 N4 O S -","- C12.5 H4 Cl2 F6 N4 O S -","- C100 H32 Cl16 F48 N32 O8 S8 -","8","1","","Du, Yanting; Zhou, Quan; Huang, Yufeng; Chen, Lianqing","Crystal structure of the fluorescent fipronil derivative 5,5′-(methylenebis(azanediyl))bis(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile), C25H6N8O2Cl4F12S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","665","667","10.1515/ncrs-2019-0018","","x-ray","1.54184","CuKα","","0.1046","0.0543","","","0.1121","0.1427","","","","","","1.045","","","","has coordinates,has disorder","278027","2022-09-21","07:50:06",""
"8105814","9.4097","0.0006","13.2837","0.0009","20.64","0.0014","90","","90","","90","","2579.9","0.3","293","2","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(2-phenylpyridinato-C^2^,N)iridium(O,O'-diethyldithiophosphate)","","- C26 H26 Ir N2 O2 P S2 -","- C26 H26 Ir N2 O2 P S2 -","- C104 H104 Ir4 N8 O8 P4 S8 -","4","1","","Chen, Lianqing; Wu, Zhongda","Crystal structure of the phosphorescent complex diethyldithiophosphonato-κ2 S,S′-bis(2-phenylpyridinato-κ2 C,N)iridium(III), C26H26N2O2PS2Ir","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","669","671","10.1515/ncrs-2019-0020","","","0.71073","MoKα","","0.0249","0.0202","","","0.0457","0.0471","","","","","","0.975","","","","has coordinates","278028","2022-09-21","07:54:55",""
"8105815","9.762","0.002","11.832","0.002","13.376","0.003","90","","102.81","0.03","90","","1506.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Li-Hua, Wang; Dan-Dan, Lin","The crystal structure of 4,10-diethoxy-6H,12H-6,12-epoxydibenzo[b,f][1,5]dioxocine, C18H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","673","674","10.1515/ncrs-2019-0021","","","0.71073","MoKα","","0.0819","0.0417","","","0.1017","0.138","","","","","","1.118","","","","has coordinates","278029","2022-09-21","08:02:44",""
"8105816","10.749","0.005","11.074","0.005","15.951","0.007","80.471","0.008","80.987","0.008","77.283","0.008","1812.3","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl2 Cu N4 O6 -","- C38 H36 Cl2 Cu N4 O6 -","- C76 H72 Cl4 Cu2 N8 O12 -","2","1","","Wang, Wan-Wan; Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of dichlorido-bis(N-benzyl-2-(quinolin-8-yloxy)acetamide-κ2 N,O)copper(II) — ethyl acetate (1/1), C38H36N4O6Cl2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","675","676","10.1515/ncrs-2019-0023","","","0.71073","MoKα","","0.0709","0.0465","","","0.1138","0.1279","","","","","","1.037","","","","has coordinates","278030","2022-09-21","08:09:46",""
"8105817","18.315","0.002","12.1533","0.0012","17.518","0.002","90","","105.289","0.004","90","","3761.3","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H84 Cu2 N8 O8 -","- C92 H84 Cu2 N8 O8 -","- C184 H168 Cu4 N16 O16 -","2","0.5","","Huang, Jing; Ma, Jin-Xia; Wei, Ping; Zhao, Ji-Xing","Synthesis and crystal structure of bis{4-methyl-2-((E)-((4-((E)-1-(benzyloxyimino)ethyl)phenyl)imino)methyl)phenolato-κ3 N,O,O}copper(II), C92H84Cu2N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","677","679","10.1515/ncrs-2019-0025","","","0.71073","MoKα","","0.0893","0.0658","","","0.1634","0.1809","","","","","","1.025","","","","has coordinates","278031","2022-09-21","09:12:20",""
"8105818","10.5199","0.0019","13.436","0.003","15.235","0.003","90","","90","","90","","2153.4","0.7","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3,5-trinitro-4,6-diazidobenzene","","- C6 H N9 O6 -","- C6 H N9 O6 -","- C48 H8 N72 O48 -","8","1","","Peilan, Wang; Jianlong, Wang; Lizhen, Chen","The crystal structure of 1,3,5-trinitro-4,6-diazidobenzene, C6HN9O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","681","682","10.1515/ncrs-2019-0027","","x-ray","0.71073","MoKα","","0.0564","0.0435","","","0.1243","0.1355","","","","","","1.047","","","","has coordinates","278032","2022-09-21","09:16:25",""
"8105819","12.764","0.003","8.744","0.002","18.733","0.005","90","","93.944","0.005","90","","2085.8","0.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Tan, Hong-Bo; Huang, Zheng","Crystal structure 1-cinnamyl-2-((Z)-styryl)-1H-benzo[d]imidazole — methanol (1/1), C24H20N2 ⋅ CH4O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","683","684","10.1515/ncrs-2019-0033","","","0.71073","MoKα","","0.0756","0.0501","","","0.1252","0.1447","","","","","","1.0355","","","","has coordinates","278033","2022-09-21","09:19:13",""
"8105820","7.0769","0.0014","9.5622","0.0019","10.952","0.002","115.14","0.03","90.46","0.03","106.53","0.03","636.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Na4 O19 S4 -","- C14 H18 Na4 O19 S4 -","- C14 H18 Na4 O19 S4 -","1","0.5","","Xi-Shi, Tai; Li-Li, Liu; Xiao-Jing, Zhou","The crystal structure of poly[m2-aqua-tetraaqua-bis(m9-4-formylbenzene-1,3-disulfonato)tetrasodium(I) hydrate, C14H18O19S4Na4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","685","686","10.1515/ncrs-2019-0035","","","0.71073","MoKα","","0.0462","0.0448","","","0.1179","0.1191","","","","","","1.021","","","","has coordinates","278034","2022-09-21","09:21:25",""
"8105821","7.9873","0.0001","11.0534","0.0002","13.238","0.0003","105.617","0.001","102.189","0.001","106.075","0.001","1028.76","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 F9 N2 O3 -","- C19 H17 F9 N2 O3 -","- C38 H34 F18 N4 O6 -","2","1","","Wardell, James L.; Tiekink, Edward R.T.","Crystal structure of 2-((2,8-bis(trifluoromethyl)quinolin-4-yl)(hydroxy)methyl)piperidin-1-ium trifluoroacetate, [C17H17F6N2O][C2F3O2]","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","687","689","10.1515/ncrs-2019-0037","","","0.71073","MoKα","","0.0461","0.0403","","","0.1038","0.1086","","","","","","0.999","","","","has coordinates","278035","2022-09-21","09:23:47",""
"8105822","7.4758","0.0004","7.7447","0.0005","16.2929","0.001","87.111","0.002","85.196","0.002","89.736","0.002","938.81","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cu Fe2 N6 O4 -","- C40 H44 Cu Fe2 N6 O4 -","- C40 H44 Cu Fe2 N6 O4 -","1","0.5","","Wang, Su-Juan; Zhu, Dong-Jian; Ren, Ai-Shan; Yan, Xiao-Wei","The crystal structure of bis(ferrocenecarboxylato-κ2 O,O′)bis[4-(dimethylamino)pyridine-κN]copper(II) — acetonitrile(1/2), C40H44CuO4Fe2N6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","691","692","10.1515/ncrs-2019-0038","","","0.71073","MoKα","","0.094","0.0672","","","0.1197","0.1316","","","","","","1.163","","","","has coordinates","278036","2022-09-21","09:26:43",""
"8105823","7.9122","0.0005","9.0693","0.0006","18.6637","0.0011","95.174","0.005","100.765","0.006","107.158","0.006","1242","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","","Zhang, Peng; Su, Yan","Crystal structure of poly[di-μ2-aqua)-diaqua-bis(μ6-4,4′,4′′-(benzene-1,3,5-triyltris(oxy))tribenzoato-κ6O1:O2:O3:O3:O5:O6)tricadmium(II)] dihydrate, C54H42Cd3O24","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","693","695","10.1515/ncrs-2019-0042","","","0.71073","MoKα","","0.0336","0.0266","","","0.0605","0.0646","","","","","","1.027","","","","has coordinates","278037","2022-09-21","09:29:41",""
"8105824","12.8249","0.0008","16.0552","0.0009","20.5611","0.001","90","","115.396","0.003","90","","3824.5","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 Cl2 N3 Pd -","- C38 H45 Cl2 N3 Pd -","- C152 H180 Cl8 N12 Pd4 -","4","1","","Bao, Zhen; Lin, Ping","The crystal structure of dichlorido(1,3-bis(2,6-diisopropyl-phenyl)-1H-3λ4-imidazol-2-yl)(3-phenyl-pyridine-κN)palladium(IV), C38H45N3Cl2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","697","699","10.1515/ncrs-2019-0050","","","0.71073","MoKα","","0.0341","0.0287","","","0.0809","0.0879","","","","","","1.1","","","","has coordinates","278067","2022-09-22","08:50:49",""
"8105825","19.2743","0.0018","7.3515","0.0007","17.817","0.0016","90","","112.593","0.002","90","","2330.8","0.4","153","2","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl N3 O -","- C12 H8 Cl N3 O -","- C96 H64 Cl8 N24 O8 -","8","1","","Zuo, Zhenyu; Song, Xiaomei; Liu, Rui; Xue, Lei; Han, Xiaojuan","The crystal structure of 2-chloro-4-(prop-2-yn-1-yloxy)-6-phenyl-1,3,5-triazine, C12H8ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","701","702","10.1515/ncrs-2019-0054","","","1.54178","CuKα","","0.0334","0.0333","","","0.0905","0.0906","","","","","","1.08","","","","has coordinates","278068","2022-09-22","08:54:25",""
"8105826","12.2441","0.0002","14.935","0.0002","15.2081","0.0003","73.671","0.0016","70.1267","0.0017","70.7828","0.0015","2424.41","0.08","297.1","0.2","297.1","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 O3 S -","- C27 H32 O3 S -","- C108 H128 O12 S4 -","4","2","","Liu, Zhang-Qin; Tang, Min; Zhang, Liang-Dong; You, Peng-Sheng; Liu, Sheng-Shu","The crystal structure of 2,6-di-tert-butyl-4-(phenyl(phenylsulfonyl)methyl)phenol, C27H32O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","703","705","10.1515/ncrs-2019-0059","","","1.54184","CuKα","","0.0527","0.0442","","","0.1209","0.1319","","","","","","1.081","","","","has coordinates","278069","2022-09-22","08:57:41",""
"8105827","16.241","0.003","12.1604","0.0019","15.531","0.003","90","","96.364","0.003","90","","3048.4","0.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H68 Cu2 N8 O8 -","- C68 H68 Cu2 N8 O8 -","- C136 H136 Cu4 N16 O16 -","2","0.5","","Huang, Jing; Ma, Jin-Xia; Wei, Ping; Zhao, Ji-Xing","Crystal structure of bis{μ2-bis{(((((1-methoxyimino)ethyl)phenyl)imino)methyl)-2-phenolato-κ3 N,O:O}copper(II)}, C68H68Cu2N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","707","709","10.1515/ncrs-2019-0062","","","0.71073","MoKα","","0.1008","0.0497","","","0.1052","0.1263","","","","","","1.009","","","","has coordinates","278070","2022-09-22","09:00:45",""
"8105828","24.0549","0.0015","14.5539","0.0004","18.8986","0.0011","90","","130.953","0.01","90","","4996.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H47 N5 Ni2 O13 -","- C53 H47 N5 Ni2 O13 -","- C212 H188 N20 Ni8 O52 -","4","0.5","","Wu, Hao; Zhang, Li; Ma, Yun; Du, Weichao","Crystal structure of catena-poly[tetraaqua-bis(μ2-2-(4-carboxylatophenoxy)benzoato-κ2 O:O′)-pentakis(pyridine-κ1 N)dinickel(II)], C53H47N5Ni2O13","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","711","713","10.1515/ncrs-2019-0063","","","0.71073","MoKα","","0.0625","0.0435","","","0.1047","0.1158","","","","","","1.019","","","","has coordinates,has disorder","278071","2022-09-22","09:04:06",""
"8105829","8.581","0.003","10.967","0.004","13.802","0.005","106.287","0.004","105.505","0.004","101.592","0.004","1146.7","0.7","173","","173","","","","","","","","","7","P -1","-P 1","2","","1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-5-(3-methoxy-benzylamino)-4- trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile","","- C20 H12 Cl2 F6 N4 O2 S -","- C20 H12 Cl2 F6 N4 O2 S -","- C40 H24 Cl4 F12 N8 O4 S2 -","2","1","","Chen, Lianqing; Wu, Zhongda","Synthesis and crystal structure of 1-(2,6-dichloro-4-trifluoromethyl-phenyl)-5-(3-methoxy-benzylamino)-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile, C20H12N4Cl2F6O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","715","717","10.1515/ncrs-2019-0065","","","0.71073","MoKα","","0.0618","0.05","","","0.1341","0.1426","","","","","","1.04","","","","has coordinates,has disorder","278072","2022-09-22","09:06:59",""
"8105830","15.349","0.0002","11.7992","0.0001","13.3377","0.0001","90","","103.998","0.001","90","","2343.81","0.04","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N2 O6 Re2 S4 -","- C16 H20 N2 O6 Re2 S4 -","- C64 H80 N8 O24 Re8 S16 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Heard, Peter J.; Tiekink, Edward R.T.","Redetermination of the crystal structure of bis(μ2-di-ethyldithiocarbamato-κ3 S,S′:S;κ3 S:S: S′)-hexacarbonyl-di-rhenium(I), C16H20N2O6Re2S4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","719","721","10.1515/ncrs-2019-0070","","","1.54178","CuKα","","0.0169","0.0166","","","0.0443","0.0445","","","","","","1.07","","","","has coordinates","278073","2022-09-22","09:10:09",""
"8105831","12.2","0.002","9.58","0.0019","25.06","0.005","90","","90","","90","","2928.9","1","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C152 H128 N16 O16 -","8","1","","Xi-Shi, Tai; Li-Hua, Wang; Li-Li, Liu; Xiao-Jing, Zhou","The crystal structure of (E)-N′-((2-hydroxynaphthalen-1-yl)methylene)-2-phenylacetohydrazide, C19H16O2N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","723","724","10.1515/ncrs-2019-0074","","","0.71073","MoKα","","0.1201","0.0818","","","0.2172","0.2438","","","","","","1.187","","","","has coordinates","278074","2022-09-22","09:13:31",""
"8105832","12.6727","0.0004","19.8422","0.0007","7.5471","0.0003","90","","90","","90","","1897.75","0.12","243","2","242.97","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C41 H64 O9 -","- C41 H64 O9 -","- C82 H128 O18 -","2","0.5","","Zou, Juan; Tang, Tian-Tian; Ye, Jiang-Hai; Zhao, Chen-Liang; He, Kang; Pan, Lu-Tai","Crystal structure of 6-hydroxy-4,8,11b-trimethyltetradecayhdro-8,11-epoxy-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid – methanol (1/1), C20H30O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","725","727","10.1515/ncrs-2019-0075","","","0.71073","MoKα","","0.0475","0.0448","","","0.1275","0.1311","","","","","","1.088","","","","has coordinates,has disorder","278075","2022-09-22","09:16:12",""
"8105833","7.9616","0.0003","9.5386","0.0003","14.2569","0.0004","81.713","0.003","82.724","0.003","73.103","0.003","1021.03","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","aquabis(3-acetyl-4-hydroxycoumarino)zinc(II) monohydrate","aquabis(3-acetyl-2-oxo-2H-chromen-4-olate)zinc(II) monohydrate","","- C22 H18 O10 Zn -","- C22 H18 O10 Zn -","- C44 H36 O20 Zn2 -","2","1","","Ristić, Milenko N.; Rodić, Marko V.; Radulović, Niko S.; Dekić, Biljana R.; Dekić, Vidoslav S.; Ristić, Novica R.; Gurešić, Dejan M.","The crystal structure of aqua-bis(3-acetyl-2-oxo-2H-chromen-4-olato-κ2 O,O′)zinc(II) monohydrate, C22H18O10Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","729","731","10.1515/ncrs-2019-0077","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0592","0.0603","","","","","","1.052","","","","has coordinates","278076","2022-09-22","09:20:44",""
"8105834","8.3522","0.001","13.6076","0.0016","14.1628","0.0017","64.664","0.001","76.13","0.001","79.045","0.001","1405.4","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Br Co N9 O5 -","- C26 H23 Br Co N9 O5 -","- C52 H46 Br2 Co2 N18 O10 -","2","1","","Sun, Tao","Crystal structure of poly[bis(μ2-4-bromoisophthalate-κ2 O:O′)-tris(μ2-1-(3-((1H-1,2,4-triazol-1-yl)methyl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)dicobalt(II)] monohydrate, C26H23CoN9O5Br","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","733","735","10.1515/ncrs-2019-0079","","","0.71073","MoKα","","0.0656","0.0445","","","0.1044","0.1156","","","","","","1.0272","","","","has coordinates","278077","2022-09-22","09:24:59",""
"8105835","9.46793","0.0001","11.58276","0.00012","16.41497","0.00018","90","","100.844","0.001","90","","1768","0.03","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 I5 N4 O2 -","- C7 H9 I5 N4 O2 -","- C28 H36 I20 N16 O8 -","4","1","","Reiss, Guido J.","A cyclic I10 2− anion in the layered crystal structure of theophyllinium pentaiodide, C7H9I5N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","737","739","10.1515/ncrs-2019-0082","","","0.71073","MoKα","","0.0334","0.0306","","","0.071","0.0728","","","","","","1.399","","","","has coordinates","278078","2022-09-22","09:28:03",""
"8105836","16.937","0.003","6.1323","0.0012","33.322","0.007","90","","99.31","0.03","90","","3415.3","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd N6 O7 -","- C38 H30 Cd N6 O7 -","- C152 H120 Cd4 N24 O28 -","4","0.5","","Zhao, Ying","Crystal structure of catena-poly[diaqua-bis(μ2-4-((4-(pyridin-2-ylmethoxy)phenyl)diazenyl)benzoato-κ3 O,O′:N)cadmium(III)], Cd(C19H14O3N3)2(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","741","742","10.1515/ncrs-2019-0083","","","0.71073","MoKα","","0.0395","0.0314","","","0.0639","0.0668","","","","","","1.03","","","","has coordinates","278079","2022-09-22","09:31:06",""
"8105837","8.0014","0.0002","10.3376","0.0002","14.2488","0.0003","84.676","0.002","76.042","0.002","79.752","0.002","1124.01","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H20 N2 O4 P2 S4 Zn -","- C14 H20 N2 O4 P2 S4 Zn -","- C28 H40 N4 O8 P4 S8 Zn2 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(μ2-4,4′-bipyridyl-κN,N′)-bis(O,O′-dimethyldithiophosphato-κS)-zinc(II)], {C14H20N2O4P2S4Zn}n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","743","745","10.1515/ncrs-2019-0085","","","1.54184","CuKα","","0.0276","0.0265","","","0.0648","0.0655","","","","","","1.022","","","","has coordinates","278080","2022-09-22","09:34:00",""
"8105838","26.279","0.015","30.02","0.017","4.404","0.002","90","","90","","90","","3474","3","296","2","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H22 N4 O7 -","- C16 H22 N4 O7 -","- C128 H176 N32 O56 -","8","0.5","","Gan, Lin Ling; Wang, Bo","Crystal structure of 3-amino-2-hydroxy-6-methoxybenzamide hydrate, C16H22N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","747","748","10.1515/ncrs-2019-0088","","","0.71073","MoKα","","0.043","0.0332","","","0.0835","0.0899","","","","","","1.055","","","","has coordinates","278081","2022-09-22","09:36:34",""
"8105839","6.7956","0.0002","7.284","0.0003","10.2615","0.0004","70.483","0.003","80.902","0.003","66.404","0.003","438.55","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C18 H24 N4 O4 -","2","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of hemikis(cyclohexane-1,4-diammonium) (pyridine-2-carboxylate), [C6H16N2]0.5[C6H4NO2]","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","749","751","10.1515/ncrs-2019-0091","","","1.54178","CuKα","","0.0383","0.0359","","","0.0972","0.0988","","","","","","1.105","","","","has coordinates","278082","2022-09-22","09:39:44",""
"8105840","18.3141","0.0004","7.31845","0.00015","17.7885","0.0004","90","","110.495","0.003","90","","2233.29","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-chloro-4-(prop-2-yn-1-yloxy)-6-(thiophen-2-yl)-1,3,5-triazine","","- C10 H6 Cl N3 O S -","- C10 H6 Cl N3 O S -","- C80 H48 Cl8 N24 O8 S8 -","8","1","","Zuo, Zhenyu; Guo, Tianyu; Song, Xiaomei; Guo, Dongyan; Song, Xiao","Crystal structure of 2-chloro-4-(prop-2-yn-1-yloxy)-6-(thiophen-2-yl)-1,3,5-triazine, C10H6ClN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","753","755","10.1515/ncrs-2019-0092","","","1.54184","CuKα","","0.0364","0.0331","","","0.0872","0.0904","","","","","","1.026","","","","has coordinates,has disorder","278083","2022-09-22","09:42:33",""
"8105841","7.7781","0.0009","9.7129","0.0015","19.158","0.002","90","","90","","90","","1447.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 Br3 N2 Pb -","- C8 H15 Br3 N2 Pb -","- C32 H60 Br12 N8 Pb4 -","4","1","","Zhang, Hui; Yu, Shan Shan","The crystal structure of 3-butyl-1-methyl-1H-imidazol-3-ium catena-poly[tris(μ2-bromido-κ 2 Br:Br)lead(II)], C8H15Br3N2Pb","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","757","759","10.1515/ncrs-2019-0093","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0743","0.078","","","","","","1.045","","","","has coordinates","278084","2022-09-22","09:45:21",""
"8105842","8.1215","0.0001","13.2833","0.0002","11.0258","0.0002","90","","110.083","0.002","90","","1117.14","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N5 O -","- C10 H17 N5 O -","- C40 H68 N20 O4 -","4","1","","Tan, Lin Yuing; Lim, Felicia Phei Lin; Dolzhenko, Anton V.; Tiekink, Edward R.T.","Crystal structure of 3-(5-amino-1H-1,2,4-triazol-3-yl)-1-(piperidin-1-yl)propan-1-one, C10H17N5O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","761","763","10.1515/ncrs-2019-0094","","","1.54178","CuKα","","0.0335","0.0311","","","0.077","0.079","","","","","","1.057","","","","has coordinates","278107","2022-09-23","08:22:50",""
"8105843","13.6408","0.0001","20.3377","0.0002","10.7272","0.0001","90","","109.896","0.001","90","","2798.34","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl3 N4 Nd O4 -","- C27 H26 Cl3 N4 Nd O4 -","- C108 H104 Cl12 N16 Nd4 O16 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of aqua-2,2′,2′′-(((nitrilo-κN-tris(ethane-2,1-diyl))tris(azanylylidene-κ3 N′,N′′,N′′′))tris(methanylylidene))tris(4-chlorophenolato-κ3 O,O′,O′′)neodymium(III), C27H26Cl3N4NdO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","765","767","10.1515/ncrs-2019-0095","","","0.71073","MoKα","","0.0342","0.0258","","","0.0562","0.059","","","","","","1.029","","","","has coordinates","278108","2022-09-23","08:29:04",""
"8105844","3.9815","0.0008","8.9837","0.0018","9.755","0.002","102.1","0.03","99.54","0.03","98.82","0.03","329.99","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl2 Hg2 N2 -","- C12 H8 Cl2 Hg2 N2 -","- C12 H8 Cl2 Hg2 N2 -","1","0.5","","Zhao, Ying","Crystal structure of dichlorido-(μ2-2,2′-(diazene-1,2-diyl)bis(benzen-1-ido)-κ2 C:C′)dimercury(II), C12H8Cl2Hg2N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","769","770","10.1515/ncrs-2019-0096","","","0.71073","MoKα","","0.0399","0.0368","","","0.1037","0.1061","","","","","","1.096","","","","has coordinates","278109","2022-09-23","08:36:07",""
"8105845","8.091","0.006","42.84","0.03","7.096","0.006","90","","107.806","0.01","90","","2342","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 F N3 O3 S -","- C27 H18 F N3 O3 S -","- C108 H72 F4 N12 O12 S4 -","4","1","","Li, Xiao-Yan; Meng, Qing-Guo; Hou, Gui-Ge","Crystal structure of (3E,5E)-3,5-bis(4-cyanobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C27H18FN3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","771","773","10.1515/ncrs-2019-0097","","","0.71073","MoKα","","0.1109","0.0616","","","0.1147","0.1321","","","","","","0.983","","","","has coordinates","278110","2022-09-23","08:39:25",""
"8105846","12.5392","0.0005","11.5655","0.0006","15.5085","0.0008","90","","102.463","0.0017","90","","2196.07","0.18","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorido(pyridine-κ<i>N</i>)(2,4,6-tri-2-pyridyl-1,3,5-triazine- κ^3^N^2^,N^1^,N^6^)nickel(II)","","- C23 H17 Cl2 N7 Ni -","- C23 H17 Cl2 N7 Ni -","- C92 H68 Cl8 N28 Ni4 -","4","1","","Ha, Kwang","Crystal structure of dichlorido(pyridine-κN)(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ3 N 2,N 1,N 6)nickel(II), C23H17Cl2N7Ni","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","775","776","10.1515/ncrs-2019-0098","","","0.71073","MoKα","","0.0596","0.0348","","","0.0709","0.0792","","","","","","1.058","","","","has coordinates","278111","2022-09-23","08:41:59",""
"8105847","22.016","0.0001","20.7969","0.0001","11.1523","0.0001","90","","90","","90","","5106.24","0.06","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H24 Cl4 Sn -","- C28 H24 Cl4 Sn -","- C224 H192 Cl32 Sn8 -","8","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Redetermination of the crystal structure of tetrakis(4-chlorobenzyl)tin(IV), C28H24Cl4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","777","778","10.1515/ncrs-2019-0100","","","1.54178","CuKα","","0.0134","0.0134","","","0.0369","0.037","","","","","","1.02","","","","has coordinates","278112","2022-09-23","08:44:51",""
"8105848","11.8748","0.0012","13.3493","0.0013","16.4721","0.0017","90","","90","","90","","2611.2","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl4 Cu N4 O5 -","- C24 H24 Cl4 Cu N4 O5 -","- C96 H96 Cl16 Cu4 N16 O20 -","4","1","","Liu, Zhi-Min","The crystal structure of 2,6-bis(pyridin-1-ium-3-ylmethyl)hexahydro-4,8-ethenopyrrolo-[3,4-f] isoindole-1,3,5,7-tetrone tetrachloridocuprate(II) monohydrate, C24H24Cl4CuN4O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","779","781","10.1515/ncrs-2019-0102","","","0.71073","MoKα","","0.0474","0.0351","","","0.0815","0.0873","","","","","","1.001","","","","has coordinates","278113","2022-09-23","08:48:03",""
"8105849","7.4934","0.0003","16.1409","0.0005","16.1522","0.0005","90","","101.827","0.003","90","","1912.14","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Mg4 N40 O8 -","- C20 H24 Mg4 N40 O8 -","- C40 H48 Mg8 N80 O16 -","2","0.5","","Zhang, Nan; Hou, Shao Gang","Crystal structure of cyclo-[octaaqua-tetrakis(μ2-5,5′-(1H-imidazole-4,5-diyl)bis(tetrazol-2-ido)-κ4 N,N′,N′′,N′′′)tetramagnesium(II)], C20H24N40O8Mg4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","783","784","10.1515/ncrs-2019-0103","","","0.71073","MoKα","","0.0649","0.0577","","","0.1648","0.1726","","","","","","1.037","","","","has coordinates","278114","2022-09-23","08:50:46",""
"8105850","5.3476","0.0001","14.4068","0.0002","22.3285","0.0004","90","","90","","90","","1720.23","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N4 O -","- C18 H26 Cl N4 O -","- C72 H104 Cl4 N16 O4 -","4","1","","Jing-Min, Ye; Hui-Qing, He; Xu-Hong, Jiang; Zhan-Mei, Liu; Xing-An, Cheng; Zhao-Chang, He","The crystal structure of a matrine derivative, 13-(4-Cl-pyrrole)-matrine, C18H26ClN4O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","785","786","10.1515/ncrs-2019-0105","","x-ray","1.54184","CuKα","","0.0372","0.035","","","0.0935","0.095","","","","","","1.082","","","","has coordinates","278115","2022-09-23","09:03:17",""
"8105851","10.6342","0.0002","12.9298","0.0003","20.3576","0.0004","90","","101.82","0.001","90","","2739.78","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl4 O S Sn -","- C28 H26 Cl4 O S Sn -","- C112 H104 Cl16 O4 S4 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (dibenzyl sulphoxide-κO)bis(2-chlorobenzyl-κC 1)dichloridotin(IV), C28H26Cl4OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","787","789","10.1515/ncrs-2019-0113","","","0.71073","MoKα","","0.0209","0.0197","","","0.0513","0.052","","","","","","1.021","","","","has coordinates","278116","2022-09-23","09:07:14",""
"8105852","6.3568","0.0004","8.8323","0.0006","10.8584","0.0007","103.891","0.001","94.868","0.001","105.453","0.001","563.16","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cu N4 O3 -","- C9 H8 Cu N4 O3 -","- C18 H16 Cu2 N8 O6 -","2","1","","Li, Dong; Deng, Ping-Ping; Wu, Li","Crystal structure of catena-poly[(μ2-azido-κ2 N:N)(μ2-4-cyanobenzoato-κ2 O:O′)-(μ2-methanol-κ2 O:O)copper(II)], C9H8CuN4O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","791","792","10.1515/ncrs-2019-0115","","","0.71073","MoKα","","0.033","0.0245","","","0.0659","0.0701","","","","","","1.041","","","","has coordinates","278117","2022-09-23","09:09:51",""
"8105853","11.472","0.002","6.0805","0.0012","29.787","0.006","90","","92.448","0.003","90","","2075.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C104 H88 N16 -","4","1","","Zhu, Hao; Chen, Shi-Jun; Lin, Yu-Xuann; Zhong, Qi-Di; Sun, Wu-Ji; Zhang, Xiu-Jun","Crystal structure of 1,1′-dibenzyl-3,3′-dicyano-1,1′,4,4′-tetrahydro-4,4′-bipyridine, C26H22N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","793","794","10.1515/ncrs-2019-0118","","","0.71073","MoKα","","0.0563","0.0427","","","0.0843","0.0882","","","","","","1.093","","","","has coordinates","278118","2022-09-23","09:15:15",""
"8105854","7.1658","0.001","7.6868","0.0011","14.971","0.002","76.328","0.003","84.313","0.003","81.952","0.003","791.51","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","(2-bromobenzyl)((1-bromonaphthalen-2-yl)methyl)sulfane","","- C18 H14 Br2 S -","- C18 H14 Br2 S -","- C36 H28 Br4 S2 -","2","1","","Tan, Nianyuan; Wu, Shuisheng; Huiqiong, Yang; Lan, Donghui; Au, Chak-Tong; Yi, Bing","Crystal structure of (2-bromobenzyl)((1-bromonaphthalen-2-yl)methyl)sulfane, C18H14Br2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","795","796","10.1515/ncrs-2019-0119","","","0.71073","MoKα","","0.0555","0.0436","","","0.1171","0.1237","","","","","","1.065","","","","has coordinates","278119","2022-09-23","09:18:49",""
"8105855","9.7616","0.0001","16.7411","0.0002","18.6843","0.0002","90","","90","","90","","3053.39","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N4 O6 S2 -","- C32 H34 N4 O6 S2 -","- C128 H136 N16 O24 S8 -","4","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of 2-(4-ammoniocyclohexyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium 2-[(2-carboxylatophenyl)disulfanyl]benzoate dihydrate, [C18H22N4][C14H8O4S2] ⋅ 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","797","799","10.1515/ncrs-2019-0120","","","1.54178","CuKα","","0.0292","0.0273","","","0.0665","0.0679","","","","","","1.015","","","","has coordinates","278120","2022-09-23","09:22:37",""
"8105856","9.8091","0.0011","7.6661","0.0008","19.095","0.002","90","","93.171","0.004","90","","1433.7","0.3","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H54 N2 O3 -","- C29 H54 N2 O3 -","- C58 H108 N4 O6 -","2","1","","Tan, Bo; Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Cheng; Du, Jiang","Crystal structure of (E)-N-((3R,5S,10S, 13S,14S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide – water – methanol (1/1/1), C29H54N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","801","803","10.1515/ncrs-2019-0122","","","0.71073","MoKα","","0.1498","0.0657","","","0.1082","0.1362","","","","","","1.013","","","","has coordinates","278121","2022-09-23","09:26:17",""
"8105857","7.389","0.005","14.011","0.009","16.733","0.011","96.568","0.013","100.432","0.013","94.589","0.013","1683.5","1.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F2 N3 O2 -","- C21 H15 F2 N3 O2 -","- C84 H60 F8 N12 O8 -","4","2","","Meng, Jiang Ping; Fang, Bo; Tan, Hong Bo","Crystal structure of methyl 2-(4-(3-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C21H15F2N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","805","807","10.1515/ncrs-2019-0123","","","0.71073","MoKα","","0.1596","0.0589","","","0.1258","0.1621","","","","","","0.878","","","","has coordinates","278122","2022-09-23","09:28:55",""
"8105858","6.7739","0.0013","14.16","0.003","18.506","0.004","90","","97.908","0.004","90","","1758.2","0.6","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N5 O9 Zn2 -","- C15 H13 N5 O9 Zn2 -","- C60 H52 N20 O36 Zn8 -","4","1","","Meng, Gaoxiang; Li, Qiang; Yang, Yongming","Crystal structure of poly[triaqua-(μ4-benzene-1,3,5-tricarboxylato-κ5 O 1,O 2:O 3:O 4:O 5)-(μ2-5-(3-pyridyl)tetrazolato-κ2 N 1:N 3)dizinc(II)], C15H13N5O9Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","809","811","10.1515/ncrs-2019-0124","","","0.71073","MoKα","","0.0971","0.0597","","","0.099","0.1125","","","","","","1.057","","","","has coordinates","278123","2022-09-23","09:32:08",""
"8105859","21.0452","0.0012","6.1447","0.0004","17.1892","0.001","90","","93.352","0.001","90","","2219","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C88 H120 N8 O8 S8 -","8","1","","Yeo, Chien Ing; Tiekink, Edward R. T.","Crystal structure of N-(3-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","813","815","10.1515/ncrs-2019-0125","","","0.71073","MoKα","","0.0338","0.0291","","","0.0815","0.0854","","","","","","1.013","","","","has coordinates","278163","2022-09-26","15:31:32",""
"8105860","8.2649","0.0005","9.7841","0.0006","10.0808","0.0006","94.069","0.007","104.912","0.007","97.695","0.007","775.89","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cd N10 O7 -","- C28 H32 Cd N10 O7 -","- C28 H32 Cd N10 O7 -","1","0.5","","Wang, Bo; Zhou, Yu; Wang, Yu; Chen, Gao-Hui; Lian, Qi-Xin; Wang, Hai-Dong","Crystal structure of poly[(μ2-1,3-bis(imidazol-1-ylmethyl)benzene-κ2 N:N′)(nitrato-κ1 O)cadmium(II)] — water (2/1), C28H32CdN10O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","817","818","10.1515/ncrs-2019-0126","","","0.71073","MoKα","","0.0458","0.0432","","","0.1122","0.114","","","","","","1.078","","","","has coordinates,has disorder","278165","2022-09-26","15:31:38",""
"8105861","6.0155","0.0001","14.1062","0.0001","10.199","0.0001","90","","98.871","0.001","90","","855.092","0.018","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 S -","- C8 H7 N3 S -","- C32 H28 N12 S4 -","4","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of 4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, C8H7N3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","819","820","10.1515/ncrs-2019-0128","","","1.54178","CuKα","","0.025","0.0241","","","0.0603","0.0609","","","","","","1.061","","","","has coordinates","278166","2022-09-26","15:31:53",""
"8105862","32.4593","0.0004","7.434","0.0001","14.7108","0.0002","90","","106.084","0.001","90","","3410.8","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Cl3 N4 Sn -","- C13 H15 Cl3 N4 Sn -","- C104 H120 Cl24 N32 Sn8 -","8","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of benzyltrichloridobis(1H-pyrazole-κ2 N)tin(IV), C13H15Cl3N4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","821","822","10.1515/ncrs-2019-0129","","","0.71073","MoKα","","0.016","0.0151","","","0.0401","0.041","","","","","","1.002","","","","has coordinates","278167","2022-09-26","15:31:58",""
"8105863","9.3897","0.0001","9.3897","0.0001","26.2753","0.0004","90","","90","","90","","2316.6","0.05","293","2","293","2","","","","","","","","7","P 41","P 4w","76","","","","- C27 H22 Cl F N2 O2 Sn -","- C27 H22 Cl F N2 O2 Sn -","- C108 H88 Cl4 F4 N8 O8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-4-fluorobenzyl-bis(2-methylquinolin-8-olato-κ2 N,O)tin(IV), C27H22ClFN2O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","823","825","10.1515/ncrs-2019-0130","","","0.71073","MoKα","","0.0142","0.0141","","","0.0381","0.0381","","","","","","0.981","","","","has coordinates","278169","2022-09-26","15:32:12",""
"8105864","7.9496","0.0001","11.5638","0.0002","16.5616","0.0002","75.604","0.001","86.321","0.001","83.103","0.002","1463.06","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H66 N4 O8 P4 S8 Zn2 -","- C36 H66 N4 O8 P4 S8 Zn2 -","- C36 H66 N4 O8 P4 S8 Zn2 -","1","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of tetrakis(O,O′-diisopropyldithiophosphato-κ2 S,S′)-(μ2-1,2-bis(4-pyridylmethylene)hydrazine-κ2 N:N′)zinc(II), C36H66N4O8P4S8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","827","829","10.1515/ncrs-2019-0133","","","1.54184","CuKα","","0.045","0.0424","","","0.1057","0.1072","","","","","","1.176","","","","has coordinates","278172","2022-09-26","15:32:17",""
"8105865","16.485","0.003","17.441","0.003","41.1","0.007","90","","90","","90","","11817","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H98 B2 N2 O17 -","- C46 H98 B2 N2 O17 -","- C368 H784 B16 N16 O136 -","8","1","","Cui, Yongxia; Chen, Xiaohui; Zhang, Tingting","Crystal structure of tetrabutylammonium 4,4-oxydibenzoate – boric acid – water (1/2/6) C46H98B2N2O17","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","831","834","10.1515/ncrs-2019-0140","","","0.71073","MoKα","","0.0804","0.0516","","","0.1335","0.1557","","","","","","1.037","","","","has coordinates,has disorder","278173","2022-09-26","15:32:32",""
"8105866","9.6167","0.0001","16.3285","0.0002","14.5921","0.0002","90","","97.643","0.001","90","","2270.99","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O2 Sn -","- C27 H25 N O2 Sn -","- C108 H100 N4 O8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Redetermination of the crystal structure of catena-poly[[tribenzyltin(IV)]-(μ2-pyridine-4-carboxylato-κ2 N:O)], C27H25NO2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","835","837","10.1515/ncrs-2019-0146","","","0.71073","MoKα","","0.0261","0.0221","","","0.0545","0.0566","","","","","","1.014","","","","has coordinates","278176","2022-09-26","15:33:15",""
"8105867","5.6682","0.0007","31.13","0.004","12.2829","0.0016","90","","98.328","0.002","90","","2144.5","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5-amino-1-(2,6-dichloro-4-trifluoromethyl-phenyl)-4-trifluoromethanesulfinyl- 1<i>H</i>-pyrazole-3-carboxylic acid cyclohexyl ester","","- C18 H15 Cl2 F6 N3 O3 S -","- C18 H15 Cl2 F6 N3 O3 S -","- C72 H60 Cl8 F24 N12 O12 S4 -","4","1","","Chen, Lianqing; Wei, Xiaoshan","The synthysis and crystal structure of cyclohexyl 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxylate, C18H15N3Cl2F6O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","839","841","10.1515/ncrs-2019-0148","","","0.71073","MoKα","","0.082","0.0535","","","0.103","0.1133","","","","","","1.025","","","","has coordinates,has disorder","278177","2022-09-26","15:33:39",""
"8105868","9.94437","0.00014","8.33132","0.00015","22.5305","0.0004","90","","92.5633","0.0014","90","","1864.78","0.05","295.22","0.1","295.22","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Yang, Ying; Shao, Jin; Zhao, Tong; Ma, Hui-Ping; Zhang, Dong-Mei; Jing, Lin-Lin","The crystal structure of 5,7-bis(2-hydroxyethoxy)-2-phenyl-4H-chromen-4-one, C19H18O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","843","844","10.1515/ncrs-2019-0158","","","1.54184","CuKα","","0.0558","0.0507","","","0.1513","0.1564","","","","","","1.069","","","","has coordinates","278178","2022-09-26","15:33:56",""
"8105869","9.4486","0.0007","12.4694","0.0008","13.869","0.0008","65.734","0.006","74.523","0.005","83.726","0.006","1435.63","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 F2 N3 O3 -","- C14 H13 F2 N3 O3 -","- C56 H52 F8 N12 O12 -","4","2","","Li, Wu-Wu; Zheng, Min-Yan; Guo, Ying; Jiang, Yan-Ping; Wang, Qiao; Wang, Mei; Ji, Min-Xiang; Zhang, Yu-Tao; Zhang, Zun-Ting","Synthesis and crystal structure of (±)-Ethyl 5′-(difluoromethyl)-2-oxo-4′,5′-dihydrospiro[indoline-3,3′-pyrazole]-4′-carboxylate, C14H13F2N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","845","847","10.1515/ncrs-2019-0188","","","0.71073","MoKα","","0.0664","0.0495","","","0.1136","0.1249","","","","","","1.112","","","","has coordinates","278179","2022-09-26","15:34:15",""
"8105870","8.7989","0.0003","10.4284","0.0003","23.6873","0.0006","90","","90","","90","","2173.51","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H7 Cu O5 -","- C11 H7 Cu O5 -","- C88 H56 Cu8 O40 -","8","1","","Li, Wenjun; Mai, Si Lang Jiu","Crystal structure of poly[diaqua-(μ8-1,1′:2′,1′′-terphenyl-3,3′′,4′,5′-tetracarboxylato-κ8 O 1:O 2:O 3:O 4:O 5:O 6:O 7:O 8)dicopper(II)], C22H14Cu2O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","849","850","10.1515/ncrs-2019-0004","","","0.71073","MoKα","","0.058","0.0398","","","0.0878","0.0969","","","","","","1.059","","","","has coordinates","278180","2022-09-26","15:34:33",""
"8105871","18.4984","0.0004","11.4221","0.0003","9.796","0.00019","90","","90.9652","0.0019","90","","2069.51","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O -","- C22 H27 N3 O -","- C88 H108 N12 O4 -","4","1","","Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Wei, Jun-Jun; Guo, Da-Feng","Crystal structure of 2-((1H-benzo[d]imidazol-2-ylimino)methyl)-4,6-di-tert-butylphenol, C22H27N3O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","851","853","10.1515/ncrs-2019-0009","","x-ray","1.54184","CuKα","","0.0747","0.0605","","","0.1637","0.1773","","","","","","1.068","","","","has coordinates,has disorder","278181","2022-09-26","15:34:55",""
"8105872","17.373","0.004","7.829","0.0016","19.781","0.004","90","","93.62","0.03","90","","2685.1","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","1","","Li, Ming-Qiang; Wang, Peng; Wang, Kui; Ye, Fei; Fu, Ying","Crystal structure of (4-ethoxynaphthalen-1-yl)(furan-2-yl)methanone, C17H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","855","856","10.1515/ncrs-2019-0019","","","0.71073","MoKα","","0.0582","0.0447","","","0.1235","0.1313","","","","","","1.026","","","","has coordinates","278182","2022-09-26","15:35:19",""
"8105873","5.6693","0.0003","8.9457","0.0004","16.2919","0.0007","83.341","0.004","89.534","0.004","82.491","0.004","813.63","0.07","293","2","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 I N2 -","- C13 H23 I N2 -","- C26 H46 I2 N4 -","2","1","","Said, Musa A.; Hughes, David L.; Almutairi, Saud M.; Aouad, Mohamed Reda; Messali, Mouslim","Crystal structure of 1-nonylpyridazin-1-ium iodide, C13H23N2I","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","857","859","10.1515/ncrs-2019-0024","","","0.71073","Mo-Kα","","0.0597","0.0446","","","0.0823","0.0873","","","","","","1.048","","","","has coordinates","278183","2022-09-26","15:35:35",""
"8105874","15.6362","0.0011","13.2418","0.0009","23.6641","0.0014","90","","98.858","0.006","90","","4841.2","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis [diaqua (1,10-phenanthroline-<i>κ</i>^2^<i>N</i>, <i>N'</i> ) -copper(II) ] diphenylphosphopentamolybdate dihydrate, [{Cu(H~2~O) ~2~ (phen) }~2~{(C~6~H~5~PO~3~) ~2~Mo~5~O~15~}]\χdot2H~2~O","","- C36 H38 Cu2 Mo5 N4 O27 P2 -","- C36 H38 Cu2 Mo5 N4 O27 P2 -","- C144 H152 Cu8 Mo20 N16 O108 P8 -","4","0.5","","Li, Dong-Dong; Jiang, Hui; Jia, Bing-Xin; Yuan, Yuan; Shi, Ye-Shun; Ma, Feng-Xia","Crystal structure of bis[diaqua(1,10-phenanthroline-κ 2 N, N′)-copper(II)]diphenylphosphopentamolybdate dihydrate, C36H38Cu2Mo5N4O27P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","861","862","10.1515/ncrs-2019-0032","","x-ray","0.71073","MoKα","","0.0263","0.0219","","","0.0504","0.0522","","","","","","1.099","","","","has coordinates","278184","2022-09-26","15:35:48",""
"8105875","13.102","0.002","9.7902","0.0018","14.727","0.003","90","","102.336","0.006","90","","1845.4","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu F6 N8 P -","- C12 H16 Cu F6 N8 P -","- C48 H64 Cu4 F24 N32 P4 -","4","0.5","","Zhong, Wen-Wu; Tang, Qian; Liu, Ying-Jie; Shi, Lei; Feng, Yuan-Jiao; Tan, Tao","The crystal structure of tetrakis(imidazole)-copper(I) hexafluorophosphate, C12H16CuF6PN8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","863","864","10.1515/ncrs-2019-0034","","","0.71073","MoKα","","0.0383","0.0291","","","0.07","0.0733","","","","","","1.075","","","","has coordinates","278206","2022-09-27","08:53:13",""
"8105876","10.4629","0.0003","11.4909","0.0005","19.3341","0.0009","90","","98.201","0.004","90","","2300.73","0.16","298.4","0.3","298.4","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 O4 P -","- C23 H33 O4 P -","- C92 H132 O16 P4 -","4","1","","Liu, Zhang-Qin; You, Peng-Sheng; Tang, Min; Zhang, Liang-Dong; Liu, Sheng-Shu","The crystal structure of dimethyl ((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)phosphonate, C23H33O4P","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","865","867","10.1515/ncrs-2019-0051","","x-ray","0.71073","MoKα","","0.0748","0.055","","","0.103","0.1109","","","","","","1.021","","","","has coordinates","278207","2022-09-27","08:57:28",""
"8105877","10.063","0.0011","9.625","0.001","18.196","0.002","90","","116.1","0.03","90","","1582.7","0.5","293","2","297","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","diaqua-bis(1,10-phenanthroline)-nickel(II) trifluoroacetate trifluoroacetic acid","","- C30 H21 F9 N4 Ni O8 -","- C30 H21 F9 N4 Ni O8 -","- C60 H42 F18 N8 Ni2 O16 -","2","0.5","","Zhang, Lan; Wang, Qiang; Ding, Wu-Xiu; Hao, Hui-Min","Crystal structure of diaqua-bis(1,10-phenanthroline κ2 N,N′)nickel(II) trifluoroacetate- trifluoroacetic acid (1/1), C30H21F9N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","869","871","10.1515/ncrs-2019-0052","","","0.71073","MoKα","","0.0903","0.0511","","","0.1129","0.1261","","","","","","1.028","","","","has coordinates,has disorder","278208","2022-09-27","09:01:22",""
"8105878","27.514","0.005","6.3231","0.0011","7.4175","0.0013","90","","95.805","0.002","90","","1283.8","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 -","- C18 H12 N2 -","- C72 H48 N8 -","4","1","","Jia, Guo-Kai; Xiu-Wen, Chen; Jing-Kun, Lv; Chen, Xiao-Ming","Crystal structure of 2-(naphthalen-2-yl)-1,8-naphthyridine, C18H12N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","873","874","10.1515/ncrs-2019-0061","","","0.71073","MoKα","","0.0561","0.0439","","","0.1141","0.1233","","","","","","1.046","","","","has coordinates","278209","2022-09-27","09:04:11",""
"8105879","9.1804","0.0005","19.4133","0.001","13.9191","0.0007","90","","90.593","0.003","90","","2480.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","4","","Reiss, Guido J.; Meyer, Michaela K.; Graf, Jürgen","Synthesis and crystal structure of a new polymorph of diisopropylammonium trichloroacetate, C8H16Cl3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","875","879","10.1515/ncrs-2019-0064","","","0.71073","MoKα","","0.0733","0.0605","","","0.1338","0.1387","","","","","","1.257","","","","has coordinates","278210","2022-09-27","09:22:28",""
"8105880","9.6872","0.0006","10.4523","0.0007","10.8422","0.0009","113.022","0.007","96.919","0.006","104.526","0.006","948.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cd N12 O2 S2 -","- C34 H34 Cd N12 O2 S2 -","- C34 H34 Cd N12 O2 S2 -","1","0.5","","Ling, Ning; Wang, Xia; Zhang, Ya-Wen; Zhao, Tian-Tian; Ruan, Yuan; Yang, Jing","Crystal structure of dimethanol-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)cadmium(II) C34H34CdN12O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","881","882","10.1515/ncrs-2019-0068","","x-ray","1.54184","CuKα","","0.0601","0.0564","","","0.1461","0.1511","","","","","","1.084","","","","has coordinates","278211","2022-09-27","09:26:18",""
"8105881","6.8723","0.0002","27.0231","0.0007","7.3669","0.0002","90","","109.235","0.003","90","","1291.74","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F2 O5 -","- C14 H12 F2 O5 -","- C56 H48 F8 O20 -","4","1","","He, Linfeng; Wang, An-Jun","Crystal structure of ethyl 2,2-difluoro-2-(7-methoxy-2-oxo-2H-chromen-3-yl)acetate, C14H12F2O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","883","884","10.1515/ncrs-2019-0072","","x-ray","1.54184","CuKα","","0.0505","0.0484","","","0.1307","0.1335","","","","","","1.06","","","","has coordinates","278212","2022-09-27","09:28:58",""
"8105882","9.5058","0.0002","10.8362","0.0002","14.3325","0.0003","72.4","0.001","75.241","0.001","77.132","0.001","1343.7","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Ag2 Fe2 N4 P2 S4 -","- C56 H56 Ag2 Fe2 N4 P2 S4 -","- C56 H56 Ag2 Fe2 N4 P2 S4 -","1","0.5","","Škoch, Karel; Štěpnička, Petr","The crystal structure of bis[μ2-(N,N-diethylcarbamodithioato-κS:κS,κS′)] bis[1′-(diphenylphosphino-κP)-1-cyanoferrocene]disilver(I), C56H56Ag2Fe2N4P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","885","887","10.1515/ncrs-2019-0086","","","0.71073","MoKα","","0.0219","0.0191","","","0.0432","0.0443","","","","","","1.039","","","","has coordinates","278213","2022-09-27","09:31:46",""
"8105883","12.3981","0.0002","13.2742","0.0002","11.0847","0.0002","90","","111.657","0.002","90","","1695.49","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl4 N2 Sn -","- C28 H50 Cl4 N2 Sn -","- C56 H100 Cl8 N4 Sn2 -","2","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of bis(di-n-butylammonium) tetrachloridodiphenylstannate(IV), C28H50Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","889","891","10.1515/ncrs-2019-0107","","","1.54178","CuKα","","0.0175","0.0161","","","0.0421","0.0431","","","","","","1.002","","","","has coordinates","278214","2022-09-27","09:34:32",""
"8105884","26.13","0.0015","6.1547","0.0004","8.3908","0.0005","90","","91.76","0.005","90","","1348.79","0.14","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br N Na O4 S -","- C13 H9 Br N Na O4 S -","- C52 H36 Br4 N4 Na4 O16 S4 -","4","1","","Tai, Xi-Shi; Wang, Li-Hua","The crystal structure of poly[(μ5-2-((5-bromo-3-formyl-2-hydroxybenzylidene)amino)benzenesulfonato-κ6 O:O:O,O′:O′:O′′)sodium(I)], C13H9O4NSBrNa","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","893","894","10.1515/ncrs-2019-0114","","x-ray","0.71073","MoKα","","0.056","0.0402","","","0.0786","0.0866","","","","","","1.041","","","","has coordinates","278215","2022-09-27","09:37:31",""
"8105885","11.2847","0.0002","12.6967","0.0003","13.6595","0.0003","64.738","0.002","72.181","0.002","76.681","0.002","1673.68","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 N6 O4 P2 S4 Zn -","- C24 H36 N6 O4 P2 S4 Zn -","- C48 H72 N12 O8 P4 S8 Zn2 -","2","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-{poly[bis(O,O′-diethyldithiophosphato-S)-(μ2-1,2-bis(4-pyridylmethylene)hydrazine-N,N′)-zinc(II)] di-acetonitrile solvate}, {C20H30N4O4P2S4Zn ⋅ 2 C2H3N}n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","895","897","10.1515/ncrs-2019-0116","","","1.54184","CuKα","","0.0237","0.0225","","","0.0576","0.0582","","","","","","1.049","","","","has coordinates","278216","2022-09-27","09:40:13",""
"8105886","9.2818","0.0002","6.55289","0.00016","11.0561","0.0003","90","","114.051","0.003","90","","614.08","0.03","109","","109","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","2-iodoanilinium triiodide","2-iodobenzenaminium triiodide","","- C6 H7 I4 N -","- C6 H7 I4 N -","- C12 H14 I8 N2 -","2","0.5","","Reiss, Guido J.","Halogen and hydrogen bonding in the layered crystal structure of 2-iodoanilinium triiodide, C6H7I4N","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","899","902","10.1515/ncrs-2019-0127","","","0.71073","MoKα","","0.0234","0.018","","","0.0351","0.0367","","","","","","0.986","","","","has coordinates","278217","2022-09-27","09:43:09",""
"8105887","7.8612","0.0001","12.2464","0.0002","14.1615","0.0002","111.293","0.001","105.767","0.002","93.69","0.001","1202.11","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N3 O6 S2 -","- C23 H33 N3 O6 S2 -","- C46 H66 N6 O12 S4 -","2","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of cyclohexane-1,4-diammonium 2-[(2-carboxylatophenyl)disulfanyl]benzoate — dimethylformamide — monohydrate (1/1/1), [C6H16N2][C14H8O4S2] ⋅ C3H7NO⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","903","905","10.1515/ncrs-2019-0131","","","1.54184","CuKα","","0.0404","0.0373","","","0.1025","0.1054","","","","","","1.028","","","","has coordinates","278506","2022-10-10","08:25:48",""
"8105888","5.865","0.001","30.196","0.005","11.777","0.002","90","","96.619","0.002","90","","2071.8","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5-Amino-1-(2,6-dichloro-4-trifluoromethyl-phenyl)-4-trifluoromethanesulfinyl- 1H-pyrazole-3-carboxylic acid isobutyl ester","","- C16 H13 Cl2 F6 N3 O3 S -","- C16 H13 Cl2 F6 N3 O3 S -","- C64 H52 Cl8 F24 N12 O12 S4 -","4","1","","Chen, Lianqing; Du, Yanting","The synthesis and crystal structure of isobutyl 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxylate, C16H13Cl2F6N3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","907","909","10.1515/ncrs-2019-0137","","","0.71073","MoKα","","0.0685","0.0521","","","0.114","0.1211","","","","","","1.043","","","","has coordinates","278507","2022-10-10","08:56:54",""
"8105889","9.2473","0.0001","9.9061","0.0002","12.5907","0.0002","90","","101.264","0.002","90","","1131.15","0.03","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7 -","- C25 H34 O7 -","- C50 H68 O14 -","2","1","","Li, Guo-Qiang; Zhao, Yi-Ting; Xu, Qing-Peng; Tian, Hai-Yan; Guo, Peng-ran; Wu, Fu-wang","Isolation and crystal structure of bufotalinin — methanol (1/1), C25H34O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","911","913","10.1515/ncrs-2019-0138","","x-ray","1.54178","CuKα","","0.0383","0.038","","","0.1022","0.1025","","","","","","1.066","","","","has coordinates","278561","2022-10-13","08:55:05",""
"8105890","10.4233","0.0003","19.506","0.0006","14.8084","0.0005","90","","94.148","0.002","90","","3002.91","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl O4 Sn -","- C37 H29 Cl O4 Sn -","- C148 H116 Cl4 O16 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of benzylbis(1,3-diphenylpropane-1,3-dionato-κ2 O,O′) chloridotin(IV), C37H29ClO4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","915","917","10.1515/ncrs-2019-0143","","","0.71073","MoKα","","0.0525","0.0432","","","0.0987","0.1036","","","","","","1.047","","","","has coordinates","278562","2022-10-13","08:58:58",""
"8105891","10.5476","0.0008","11.1759","0.0009","12.7735","0.001","103.372","0.007","105.811","0.007","100.27","0.006","1361.8","0.2","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cd I2 N10 -","- C22 H22 Cd I2 N10 -","- C44 H44 Cd2 I4 N20 -","2","1","","Yang, Hai-Yan; He, Fang; Zhao, Yao-Min; Li, Hui; Wang, Hong-Fang; Li, Ying-Hua","Crystal structure of Bis{1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-methyl-imidazol)}diiodidocadmium(II), [Cd(C11H11N5)2I2], C22H22N10I2Cd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","919","921","10.1515/ncrs-2019-0144","","","0.71073","MoKα","","0.0465","0.0324","","","0.06","0.0661","","","","","","1.028","","","","has coordinates","278584","2022-10-14","09:01:53",""
"8105892","13.5152","0.0002","6.1912","0.0001","14.3917","0.0002","90","","115.467","0.002","90","","1087.22","0.03","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-isobutoxybenzaldehyde oxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","","Tang, Xian; Wang, De-Cai","Crystal structure of 4-isobutoxybenzaldehyde oxime, C11H15NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","923","924","10.1515/ncrs-2019-0147","","","1.54184","CuKα","","0.0408","0.0384","","","0.1074","0.1104","","","","","","1.029","","","","has coordinates","278585","2022-10-14","09:07:29",""
"8105893","15.3188","0.0009","10.9014","0.0007","14.3601","0.0009","90","","90.516","0.005","90","","2398","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Mn N8 O8 -","- C16 H26 Mn N8 O8 -","- C64 H104 Mn4 N32 O32 -","4","0.5","","Yin, Xiu-Ju; Zhu, Long-Guan","The crystal structure of bis(acetato-κ1 O)-bis(N′-hydroxypyrimidine-2-carboximidamide-κ2 N,N′)manganese(II) — methanol (1/2), C14H18MnN8O6, 2(CH3OH)′","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","925","926","10.1515/ncrs-2019-0149","","","0.71073","MoKα","","0.0492","0.0377","","","0.0856","0.0942","","","","","","1.035","","","","has coordinates","278586","2022-10-14","09:18:31",""
"8105894","9.9673","0.001","8.6759","0.0009","20.756","0.002","90","","98.926","0.007","90","","1773.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cd N12 O6 -","- C36 H30 Cd N12 O6 -","- C72 H60 Cd2 N24 O12 -","2","0.5","","Wang, Boyang; Wang, Jian","Crystal structure of poly[bis(μ2-bis(4-(1H-imidazol-1-yl)phenyl)amine-κ2 N:N′)-bis(nitrato-κO)cadmium(II)], C36H30CdN12O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","927","928","10.1515/ncrs-2019-0150","","","0.71073","MoKα","","0.079","0.0554","","","0.1422","0.1561","","","","","","1.021","","","","has coordinates","278587","2022-10-14","09:25:29",""
"8105895","10.196","0.003","14.756","0.004","9.508","0.003","90","","103.965","0.014","90","","1388.2","0.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 S2 -","- C18 H14 S2 -","- C72 H56 S8 -","4","1","","Wang, Guang-Qing; Fang, Hong-Bo; Xu, Li-Hua; Ni, Zhong-Hai","Crystal structure and optical properties of 1,6-bis(methylthio)pyrene, C18H14S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","929","931","10.1515/ncrs-2019-0151","","","0.71073","MoKα","","0.0755","0.048","","","0.1043","0.1207","","","","","","1.036","","","","has coordinates","278588","2022-10-14","09:28:48",""
"8105896","6.1154","0.0003","7.9529","0.0004","9.0459","0.0005","77.744","0.002","82.589","0.002","81.134","0.003","422.67","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","2,3-dinitro-1H-pyrazole-Magnesium","","- C6 H14 Mg N8 O14 -","- C6 H14 Mg N8 O14 -","- C6 H14 Mg N8 O14 -","1","0.5","","TianLi, Liu; Jianlong, Wang; Lizhen, Chen; DuanLin, Cao; ZhiYan, Lu; NaNa, Wu","The crystal structure of hexaquamagnesium(II) bis(3,4-dinitropyrazol-1-ide), C6H14MgN8O14","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","933","934","10.1515/ncrs-2019-0153","","","0.71073","MoKα","","0.0583","0.0454","","","0.1021","0.1112","","","","","","1.089","","","","has coordinates","278645","2022-10-20","07:20:31",""
"8105897","17.9705","0.0008","6.5423","0.0003","17.8916","0.0008","90","","98.634","0.004","90","","2079.65","0.16","290.52","0.18","290.52","0.18","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 F4 I2 N3 -","- C21 H11 F4 I2 N3 -","- C84 H44 F16 I8 N12 -","4","0.5","","Wang, Weizhou","Halogen bonds in the crystal structure of 4,3:5,4-terpyridine – 1,4-diiodotetrafluorobenzene (1/1), C21H11F4I2N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","935","937","10.1515/ncrs-2019-0155","","x-ray","0.71073","MoKα","","0.0408","0.0313","","","0.0727","0.0784","","","","","","1.053","","","","has coordinates","278646","2022-10-20","07:24:37",""
"8105898","19.0525","0.0018","8.5569","0.0009","15.3792","0.0015","90","","97.241","0.002","90","","2487.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F6 N4 S2 -","- C24 H18 F6 N4 S2 -","- C96 H72 F24 N16 S8 -","4","1","","Li, Yongjie; Zheng, Chunhong; Pu, Shouzhi","Crystal structure and photochromic properties of a novel photochromic perfluordiarylethene containing a triazole bridged pyridine group moiety, C24H18F6N4S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","939","941","10.1515/ncrs-2019-0159","","","0.71073","MoKα","","0.1493","0.0513","","","0.1065","0.1425","","","","","","0.932","","","","has coordinates,has disorder","278647","2022-10-20","07:34:12",""
"8105899","13.7756","0.0004","13.9663","0.0005","16.6392","0.0005","71.501","0.002","73.952","0.002","63.18","0.002","2675.49","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H136 N4 O10 S8 Sn4 -","- C100 H136 N4 O10 S8 Sn4 -","- C100 H136 N4 O10 S8 Sn4 -","1","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of bis[(μ3-oxido)-(μ2-(N,N-diisopropylthiocarbamoylthio) acetato-κ2 O,O′)-((N,N-diisopropylthiocarbamoylthio)acetato-κO)-bis(di-4-methylbenzyl-tin(IV))], C100H136N4O10S8Sn4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","943","946","10.1515/ncrs-2019-0161","","","0.71073","MoKα","","0.0559","0.0383","","","0.1042","0.1209","","","","","","0.998","","","","has coordinates","278648","2022-10-20","07:36:50",""
"8105900","12.6379","0.0002","4.9674","0.0001","26.1845","0.0004","90","","94.507","0.001","90","","1638.71","0.05","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H12 Br4 Sn -","- C14 H12 Br4 Sn -","- C56 H48 Br16 Sn4 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dibromidobis(4-bromobenzyl)tin(IV), C14H12Br4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","947","948","10.1515/ncrs-2019-0162","","","1.54184","CuKα","","0.0148","0.0142","","","0.0355","0.0358","","","","","","1.023","","","","has coordinates","278649","2022-10-20","07:43:07",""
"8105901","9.8611","0.0002","15.8027","0.0003","16.2473","0.0003","90","","100.15","0.002","90","","2492.23","0.08","296","2","296","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4<i>Z</i>)-2-[(<i>E</i>)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene) methyl]-4-[(1,3,3-trimethyl-3<i>H</i>-indolium-2-yl)methylidene] -3-oxocyclobut-1-en-1-olate","(4<i>Z</i>)-2-[(<i>E</i>)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene) methyl]-4-[(1,3,3-trimethyl-3<i>H</i>-indolium-2-yl)methylidene] -3-oxocyclobut-1-en-1-olate","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","1","","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Albukhari, Soha M.; Al-Soliemy, Amerah M.","The crystal structure of (4Z)-2-[(E)-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-4-[(1-ethyl-3,3-dimethyl-3H-indolium-2-yl)methylidene]-3-oxocyclobut-1-en-1-olate, C30H32N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","949","951","10.1515/ncrs-2019-0165","","x-ray","1.54184","CuKα","","0.063","0.0542","","","0.1578","0.1677","","","","","","1.074","","","","has coordinates,has disorder","278650","2022-10-20","07:46:58",""
"8105902","6.0033","0.0003","11.5667","0.0007","23.5556","0.0012","77.121","0.005","89.635","0.004","78.852","0.005","1563.27","0.15","296","2","296","3","","","","","","","","4","P -1","-P 1","2","3-[2-(4-Dimethylamino-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enone","3-[2-(4-Dimethylamino-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enone","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","2","","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Albukhari, Soha M.; Al-Soliemy, Amerah M.; Khan, Salman A.","The crystal structure of (E)-3-(4-(dimethylamino)styryl)-5,5-dimethylcyclohex-2-en-1-one, C18H23NO","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","953","955","10.1515/ncrs-2019-0167","","x-ray","0.71073","MoKα","","0.1223","0.063","","","0.1482","0.1733","","","","","","1.034","","","","has coordinates","278651","2022-10-20","08:30:50",""
"8105903","4.3368","0.0006","15.483","0.002","13.8852","0.0019","90","","97.714","0.003","90","","923.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 N6 O4 -","- C5 H12 N6 O4 -","- C20 H48 N24 O16 -","4","1","","Latinović, Nedeljko; Novaković, Sladjana B.; Bogdanović, Goran A.; Kastratović, Vlatko; Giester, Gerald; Jaćimović, Željko K.","Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","957","958","10.1515/ncrs-2019-0168","","","0.71073","MoKα","","0.0523","0.0411","","","0.1056","0.1109","","","","","","1.122","","","","has coordinates","278652","2022-10-20","08:34:11",""
"8105904","7.3941","0.0006","15.3043","0.0014","9.7831","0.0007","90","","101.315","0.007","90","","1085.55","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H44 Co2 N8 O7 S2 -","- C42 H44 Co2 N8 O7 S2 -","- C42 H44 Co2 N8 O7 S2 -","1","0.5","","Yin, Chonglan; Jiang, Wei; Dai, Jihong","Crystal structure of poly[μ2-1,4-bis((1H-imidazol-1-yl)methyl)benzene-κ2 N:N′)-(μ2-4-sulfidobenzoate-κ2 O:S)cobalt(II)] dihydrate, C42H44Co2N8O7S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","959","960","10.1515/ncrs-2019-0175","","","0.71073","MoKα","","0.0457","0.0392","","","0.073","0.0749","","","","","","1.098","","","","has coordinates","278653","2022-10-20","08:40:59",""
"8105905","8.602","0.0017","14.835","0.003","11.624","0.002","90","","90.07","0.03","90","","1483.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Wang, Xia; Zeng, Wu-Lan","Crystal structure of 8-(3,4-dimethylbenzylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione, C17H18O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","961","963","10.1515/ncrs-2019-0180","","","0.71073","MoKα","","0.0595","0.0474","","","0.1338","0.1439","","","","","","1.122","","","","has coordinates","278654","2022-10-20","08:44:34",""
"8105906","10.2014","0.0015","21.499","0.003","12.1885","0.0018","90","","95.175","0.002","90","","2662.3","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Br N2 O3 -","- C33 H31 Br N2 O3 -","- C132 H124 Br4 N8 O12 -","4","1","","Liu, Fu-Jie; Wang, Guo-Xi","Crystal structure of 4-(2-bromo-4-(6-morpholino-3-phenyl-3H-benzo[f]chromen-3-yl) cyclohexa-2,5-dien-1-yl)morpholine, C33H31BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","965","967","10.1515/ncrs-2019-0187","","","0.71073","MoKα","","0.1002","0.0521","","","0.1445","0.1993","","","","","","1.055","","","","has coordinates","278655","2022-10-20","08:57:38",""
"8105907","19.4988","0.0009","19.506","0.0009","9.2893","0.0004","90","","90","","90","","3533.1","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 N2 O S -","- C23 H16 N2 O S -","- C184 H128 N16 O8 S8 -","8","2","","Alqahtani, Alaa; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Synthesis and crystal structure of 2-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2,3-dihydro-1H-inden-1-one, C23H16N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","969","971","10.1515/ncrs-2019-0189","","","0.71073","MoKα","","0.0804","0.0501","","","0.1082","0.1269","","","","","","1.034","","","","has coordinates,has disorder","278656","2022-10-20","09:11:55",""
"8105908","9.1134","0.0004","16.0238","0.0007","17.8763","0.0007","90","","103.376","0.007","90","","2539.7","0.2","130","3","130","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O7 Zn -","- C26 H22 N4 O7 Zn -","- C104 H88 N16 O28 Zn4 -","4","1","","Xu, Bo-Tao; Mao, Ze-Jun; He, Li-Xiang; Guo, Sheng-Cong; Zhang, Guo-Dong","Crystal structure of poly[(μ2-1,1′-(oxybis(4,1-phenylene)bis(1H-imidazole)-κ2N,N′)(μ2-1,3-benzenecarboxylato-κ3 O,O′:O′′)zinc(II)] dihydrate, C26H22N4O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","973","974","10.1515/ncrs-2019-0191","","","0.71073","MoKα","","0.0736","0.0465","","","0.0912","0.099","","","","","","1.08","","","","has coordinates,has disorder","278657","2022-10-20","09:14:41",""
"8105909","11.7049","0.0004","5.0943","0.0001","14.323","0.0004","90","","100.37","0.002","90","","840.11","0.04","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 O6 Zn -","- C18 H18 O6 Zn -","- C36 H36 O12 Zn2 -","2","0.5","","Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of diaqua-bis(cinnamato-κ2 O,O′)zinc(II), C18H18ZnO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","975","976","10.1515/ncrs-2019-0194","","","0.71073","MoKα","","0.0345","0.0309","","","0.0562","0.0583","","","","","","1.086","","","","has coordinates","278658","2022-10-20","09:16:59",""
"8105910","7.498","0.003","7.973","0.003","9.66","0.004","67.211","0.013","84.489","0.014","72.224","0.014","506.8","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C28 H20 O4 -","2","1","","Aljohani, Ghadah; Lentz, Dieter; Said, Musa A.; Alraqa, Shaya Y.; Ali, Adeeb A.; Basar, Norazah","Crystal structure of 2-(prop-2-yn-1-yloxy)-1-naphthaldehyde, C14H10O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","977","978","10.1515/ncrs-2019-0195","","","0.71073","MoKα","","0.0466","0.0394","","","0.1086","0.1135","","","","","","1.054","","","","has coordinates","278659","2022-10-20","09:23:17",""
"8105911","11.7525","0.0012","12.243","0.0012","13.421","0.0013","84.914","0.001","66.86","0.001","82.543","0.001","1759.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H26 F6 N2 S2 -","- C41 H26 F6 N2 S2 -","- C82 H52 F12 N4 S4 -","2","1","","Xu, Dongming; Zheng, Chunhong; Pu, Shouzhi","Crystal structure and photochromic properties of 1-(2-methyl-5-phenyl-3-thienyl)-2-{2-methyl-5-[4-(9-fluorenone hydrazone)-phenyl]-3-thienyl}perfluorocyclopentene, C41H26F6N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","979","981","10.1515/ncrs-2019-0197","","","0.71073","MoKα","","0.0889","0.0623","","","0.1634","0.1847","","","","","","1.032","","","","has coordinates,has disorder","278660","2022-10-20","09:26:10",""
"8105912","15.4152","0.0005","10.8836","0.0003","16.1172","0.0005","90","","112.097","0.004","90","","2505.41","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N5 Ni O8 -","- C26 H23 N5 Ni O8 -","- C104 H92 N20 Ni4 O32 -","4","1","","Wei-Dong, Yin; Gui-Lian, Li; Qian-Long, Liu","Hydrothermal synthesis and crystal structure of cylo[tetraaqua-bis(μ2-1,4-bis(1H-benzo[d]imidazol-1-yl)but-2-ene-κ2 N:N′)-bis(μ2-4-nitro-phthalate-κ2 O,O′)dinickel(II)], C26H23N5O8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","983","986","10.1515/ncrs-2019-0202","","x-ray","0.71073","MoKα","","0.0394","0.0361","","","0.0863","0.0876","","","","","","1.122","","","","has coordinates,has disorder","278661","2022-10-20","09:29:18",""
"8105913","10.4801","0.0001","10.8132","0.0001","12.1341","0.0001","90","","107.823","0.001","90","","1309.08","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 S -","- C14 H15 N3 S -","- C56 H60 N12 S4 -","4","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of 3-[methyl(phenyl)amino]-1-phenylthiourea, C14H15N3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","987","988","10.1515/ncrs-2019-0204","","","1.54184","CuKα","","0.0273","0.0266","","","0.0723","0.0728","","","","","","1.098","","","","has coordinates","278680","2022-10-21","06:32:34",""
"8105914","10.4","0.0002","11.5622","0.0002","23.4776","0.0004","90","","90","","90","","2823.11","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl N3 S -","- C14 H14 Cl N3 S -","- C112 H112 Cl8 N24 S8 -","8","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of 1-(4-chlorophenyl)-3-[methyl(phenyl)amino]thiourea, C14H14ClN3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","989","990","10.1515/ncrs-2019-0205","","","1.54184","CuKα","","0.031","0.0284","","","0.0749","0.0774","","","","","","1.046","","","","has coordinates","278681","2022-10-21","06:43:30",""
"8105915","9.4795","0.0007","10.7585","0.001","18.8783","0.0013","90","","90","","90","","1925.3","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Huang, Guo-Ling; Chen, Xiu-Wen; Chen, Lu; Li, Yi-Biao","Crystal structure of 2-tert-butyl-1H-imidazo[4,5-b]pyridine, C10H13N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","991","992","10.1515/ncrs-2019-0208","","x-ray","0.71073","MoKα","","0.0788","0.0702","","","0.1883","0.1959","","","","","","1.053","","","","has coordinates","278682","2022-10-21","06:51:52",""
"8105916","5.1122","0.0005","15.015","0.0013","17.3561","0.0015","90","","95.152","0.004","90","","1326.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O8 -","- C12 H12 N2 O8 -","- C48 H48 N8 O32 -","4","1","","Li, Xiao-Fei; Wang, Ke; Zhang, Wei; Fu, Zi-Ying","Crystal structure of 5-carboxy-2-(2-carboxyphenyl)-1H-imidazol-3-ium-4-carboxylate dihydrate, C12H8N2O6⋅2(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","993","995","10.1515/ncrs-2019-0209","","","0.71073","MoKα","","0.1126","0.0711","","","0.1325","0.1509","","","","","","1.095","","","","has coordinates","278683","2022-10-21","06:56:23",""
"8105917","7.204","0.004","8.593","0.005","21.112","0.012","89.153","0.007","85.294","0.007","84.604","0.006","1296.7","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl4 Cu2 N2 -","- C24 H30 Cl4 Cu2 N2 -","- C48 H60 Cl8 Cu4 N4 -","2","1","","Wang, Guo-Xi; Xing, Zheng","The crystal structure of dichlorido-μ2-dichlorido-(η2-1,4-bis(4-vinylbenzyl)-1,4-diazabicyclo[2.2.2]octane-1,4-diium)dicopper(I), C24H30N2Cu2Cl4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","997","999","10.1515/ncrs-2019-0212","","","0.71073","MoKα","","0.0934","0.0535","","","0.1305","0.1471","","","","","","1.033","","","","has coordinates,has disorder","278684","2022-10-21","06:59:29",""
"8105918","7.1722","0.0003","10.235","0.0004","14.8756","0.0006","73.607","0.002","84.702","0.001","88.721","0.001","1043.11","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Br N2 O S -","- C22 H29 Br N2 O S -","- C44 H58 Br2 N4 O2 S2 -","2","1","","Al-Ghulikah, Hanan A.; Ghabbour, Hazem A.; Tiekink, Edward R.T.; El-Emam, Ali A.","Crystal structure of 4-bromobenzyl (Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C22H29BrN2OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1001","1003","10.1515/ncrs-2019-0216","","","0.71073","MoKα","","0.1027","0.0467","","","0.0748","0.087","","","","","","1.005","","","","has coordinates","278685","2022-10-21","07:02:50",""
"8105919","10.8192","0.0012","16.4915","0.0017","28.832","0.003","90","","90","","90","","5144.3","0.9","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C60 H96 O4 -","- C60 H96 O4 -","- C240 H384 O16 -","4","1","","He, Kang; Fan, Lin-Lin; Wu, Tian-Tai; Zhang, Qi-Long; Zou, Juan","Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene-1(6bH)-one, C30H48O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1005","1007","10.1515/ncrs-2019-0217","","","0.71073","MoKα","","0.1174","0.0582","","","0.1","0.1169","","","","","","1.026","","","","has coordinates","278686","2022-10-21","07:11:30",""
"8105920","9.3012","0.0005","10.2734","0.0005","15.185","0.0008","81.982","0.002","78.696","0.002","83.882","0.002","1404.25","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 F6 N3 S -","- C30 H33 F6 N3 S -","- C60 H66 F12 N6 S2 -","2","1","","Al-Wahaibi, Lamya H.; Al-Shaalan, Nora H.; Ghabbour, Hazem A.; Tiekink, Edward R.T.; El-Emam, Ali A.","Crystal structure of 3,5-bis(trifluoromethyl)benzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C30H33F6N3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1009","1012","10.1515/ncrs-2019-0220","","","0.71073","MoKα","","0.1143","0.0779","","","0.2212","0.2499","","","","","","1.043","","","","has coordinates,has disorder","278687","2022-10-21","07:15:34",""
"8105921","12.7731","0.0019","5.4767","0.0009","17.3616","0.0018","90","","119.747","0.007","90","","1054.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Wu, Deng-Ze","The crystal structure of 3-methoxyphenanthridin-6(5H)-one, C14H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1013","1014","10.1515/ncrs-2019-0222","","","0.71073","MoKα","","0.0613","0.0562","","","0.1863","0.1907","","","","","","1.183","","","","has coordinates","278688","2022-10-21","07:19:14",""
"8105922","8.2997","0.0003","11.818","0.0009","14.0849","0.0007","106.388","0.005","101.841","0.004","95.2","0.004","1280.87","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 B F2 Fe I4 N3 -","- C18 H19 B F2 Fe I4 N3 -","- C36 H38 B2 F4 Fe2 I8 N6 -","2","1","","Gao, Yan; Xiao, Zhiyin; Zhang, Peipei; Xiang, Yali; Wang, Wei; Hu, Haimeng","Crystal structure of 4-(5,5-difluoro-1,3,7,9-tetramethyl-3H,5H-5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinin-10-yl)pyridin-1-ium tetraiodidoferrate(III), C18H19BF2FeI4N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1015","1016","10.1515/ncrs-2019-0226","","x-ray","0.71073","MoKα","","0.0581","0.0393","","","0.0948","0.1045","","","","","","1.015","","","","has coordinates","278689","2022-10-21","07:22:51",""
"8105923","12.1263","0.0002","11.6913","0.0003","12.7643","0.0003","90","","92.34","0.002","90","","1808.11","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O3 S -","- C21 H18 N2 O3 S -","- C84 H72 N8 O12 S4 -","4","1","","Mi, Xia; Zhong, Zheng; Yang, Jing; Zhang, Jingyu","Crystal structure of 2-(3-methoxyphenyl)-3-((phenylsulfonyl)methyl)imidazo[1,2-a]pyridine, C21H18N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1017","1018","10.1515/ncrs-2019-0228","","x-ray","1.54184","CuKα","","0.0523","0.0433","","","0.1199","0.131","","","","","","1.024","","","","has coordinates","278690","2022-10-21","07:38:32",""
"8105924","20.601","0.003","13.5059","0.0016","25.015","0.003","90","","90","","90","","6960","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H50 Cl2 N4 Ni O8 -","- C29 H50 Cl2 N4 Ni O8 -","- C232 H400 Cl16 N32 Ni8 O64 -","8","1","","Guang-Chuan, Ou; Jia, Guo-Kai; Tan, Ying-Zhi","Crystal structure of [(2-(2-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2 O,O′) (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′)]nickel(II) perchlorate, C29H50Cl2N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1019","1021","10.1515/ncrs-2019-0236","","","0.71073","MoKα","","0.0873","0.0495","","","0.1341","0.1652","","","","","","1.028","","","","has coordinates","278691","2022-10-21","07:44:09",""
"8105925","10.287","0.0003","11.9918","0.0004","13.8995","0.0005","109.21","0.003","96.833","0.003","107.594","0.003","1497.29","0.1","110","1","110","1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N7 O -","- C35 H35 N7 O -","- C70 H70 N14 O2 -","2","1","","Zeng, Dai; Xing, Ai-Ping","Crystal structure of (Z)-6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-2-(2-(quinoxalin-2-ylmethylene)hydrazinyl)-2,3-dihydroinden-1-one, C35H35N7O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1023","1025","10.1515/ncrs-2019-0238","","x-ray","1.54184","CuKα","","0.0466","0.0401","","","0.1027","0.1091","","","","","","1.016","","","","has coordinates","278692","2022-10-21","07:47:41",""
"8105926","15.5175","0.0005","7.9715","0.0003","17.3941","0.0005","90","","90.005","0.003","90","","2151.61","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N8 O2 -","- C22 H22 N8 O2 -","- C88 H88 N32 O8 -","4","1","","Aldosari, Obaid Fahad; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","5-Methyl-N′-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide, C22H22N8O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1027","1029","10.1515/ncrs-2019-0241","","","0.71073","MoKα","","0.0932","0.0592","","","0.1539","0.178","","","","","","1.031","","","","has coordinates","278693","2022-10-21","07:57:24",""
"8105927","15.597","0.006","3.9346","0.0016","15.614","0.006","90","","101.834","0.004","90","","937.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cl2 N2 O -","- C9 H6 Cl2 N2 O -","- C36 H24 Cl8 N8 O4 -","4","1","","Yang, Zhi-Hai; Guo, Zi-Yin; Shao, Jia-Xin; Peng, Shi-Yong; Zhu, Zhong-Zhi; Chen, Xiu-Wen","Crystal structure of 2,3-dichloro-6-methoxyquinoxaline, C9H6Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1031","1032","10.1515/ncrs-2019-0242","","","0.71073","MoKα","","0.0439","0.036","","","0.0963","0.1019","","","","","","1.046","","","","has coordinates","278694","2022-10-21","08:36:11",""
"8105928","15.07","0.003","4.905","0.001","21.018","0.004","90","","105.59","0.03","90","","1496.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl F N2 O2 S2 -","- C14 H10 Cl F N2 O2 S2 -","- C56 H40 Cl4 F4 N8 O8 S8 -","4","1","","Zhang, Yuming; Xiao, Tao; Guo, Xuan; Dou, Chaolong; Wu, Wenyuan","Synthesis and crystal structure of 7-chloro-2-(ethylsulfinyl)-6-fluoro-3-(1H-pyrazole-1-yl)-4H-thiochromen-4-one, C13H10FN3OS2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1033","1034","10.1515/ncrs-2019-0243","","","0.71073","MoKα","","0.1417","0.0667","","","0.115","0.1363","","","","","","1.003","","","","has coordinates","278695","2022-10-21","08:38:31",""
"8105929","16.9951","0.001","11.4397","0.0007","9.7678","0.0006","90","","103.913","0.001","90","","1843.33","0.19","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 N4 S4 -","- C14 H26 N4 S4 -","- C56 H104 N16 S16 -","4","0.5","","Ayom, Gwaza E.; Khan, Malik D.; Zamisa, Sizwe J.; Revaprasadu, Neerish","Crystal structure of 4-ethylpiperazine-1-carbothioic dithioperoxyanhydride, C14H26N4S4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1035","1036","10.1515/ncrs-2019-0246","","x-ray","0.71073","MoKα","","0.0209","0.02","","","0.0545","0.0553","","","","","","1.045","","","","has coordinates","278696","2022-10-21","08:42:15",""
"8105930","11.0487","0.0004","13.5","0.0006","21.1032","0.001","90","","90","","90","","3147.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","Lou, Xin-Hua","Crystal structure of 2-(2-(6-methylpyridin-2-yl)naphthalen-1-yl)pyrimidine, C20H15N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1037","1038","10.1515/ncrs-2019-0247","","x-ray","0.71073","MoKα","","0.0653","0.0448","","","0.1009","0.1136","","","","","","1.032","","","","has coordinates","278697","2022-10-21","08:48:54",""
"8105931","17.7478","0.0004","10.0041","0.0002","24.4749","0.0006","90","","111.111","0.002","90","","4053.88","0.17","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","2","","Yu, Xiang; Zhao, You-Fang; Qin, Yan; Yan, Jing; Chen, Ya-Fang","The crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-3-methylbenzohydrazide, C23H22N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1039","1041","10.1515/ncrs-2019-0249","","x-ray","0.71073","MoKα","","0.0959","0.0614","","","0.1574","0.1749","","","","","","1.064","","","","has coordinates","278698","2022-10-21","08:53:53",""
"8105932","18.3123","0.0003","8.97463","0.00015","30.1437","0.0005","90","","99.5396","0.0016","90","","4885.49","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N6 O6.5 Zn -","- C26 H21 N6 O6.5 Zn -","- C208 H168 N48 O52 Zn8 -","8","1","","Wang, Yu-Fang; Zhang, Yong-Hua","Crystal structure of catena-poly[(μ2-isophthalato-κ2 O:O′)-(2,5-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)zinc(II)] — water (2/5), C26H21N6O6.5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1043","1045","10.1515/ncrs-2019-0250","","x-ray","0.71073","MoKα","","0.0393","0.0352","","","0.0731","0.0746","","","","","","1.182","","","","has coordinates","278699","2022-10-21","08:56:46",""
"8105933","12.1975","0.0006","13.9973","0.0007","16.3818","0.001","69.365","0.005","76.62","0.005","77.292","0.004","2516.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H38 Cl2 F6 N6 O14 S2 -","- C53 H38 Cl2 F6 N6 O14 S2 -","- C106 H76 Cl4 F12 N12 O28 S4 -","2","1","","Sun, Yue; Wang, Shu-Xia; Hou, Gui-Ge","Crystal structure of (3E,5E)-3,5-bis(3-nitrobenzylidene)-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-one — dichloromethane (2/1), C53H38Cl2F6N6O14S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1047","1049","10.1515/ncrs-2019-0253","","","0.71073","MoKα","","0.0715","0.054","","","0.1297","0.1413","","","","","","1.031","","","","has coordinates","278700","2022-10-21","09:00:12",""
"8105934","24.6961","0.0008","14.0952","0.0005","24.696","","90","","90","","90","","8596.6","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H43 Fe2 N5 O10 -","- C47 H43 Fe2 N5 O10 -","- C376 H344 Fe16 N40 O80 -","8","1","","Ya, Li; Xiangqing, Fang; Junyi, Liu; Chi, Dong; Liguo, Yang","Crystal structure of (μ2-oxido)-bis(N,N′-o-phenylenebis(salicylideneiminato))diiron(III) — N,N′-dimethylformamide, C47H43Fe2N4O9","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1051","1053","10.1515/ncrs-2019-0256","","","0.71073","MoKα","","0.0593","0.0374","","","0.099","0.1209","","","","","","1.06","","","","has coordinates","278701","2022-10-21","09:04:02",""
"8105935","12.0519","0.0011","12.667","0.0012","12.9161","0.0012","117.088","0.003","92.459","0.001","108.199","0.002","1627.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H28 Br2 N2 O2 -","- C11 H28 Br2 N2 O2 -","- C44 H112 Br8 N8 O8 -","4","2","","Su, Chang-Ming; Wang, Chun-Hua; Hou, Gui-Ge","Crystal structure of N 1,N 3-bis(2-hydroxyethyl)-N 1, N 1,N 3,N 3-tetramethylpropane-1,3-diaminium dibromide, C11H28Br2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1055","1057","10.1515/ncrs-2019-0258","","","0.71073","MoKα","","0.1273","0.0645","","","0.1455","0.1632","","","","","","0.904","","","","has coordinates","278702","2022-10-21","09:06:27",""
"8105936","19.0184","0.0003","4.8122","0.0001","11.3896","0.0002","90","","107.388","0.001","90","","994.75","0.03","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 -","- C12 H9 Cl N2 -","- C48 H36 Cl4 N8 -","4","1","","Diko, Nyameka; Zamisa, Sizwe J.; Friedrich, Holger B.; Shozi, Mzamo L.","Crystal structure of (E)-N-(4-chlorophenyl)-1-(pyridin-2-yl)methanimine, C12H9ClN2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1059","1061","10.1515/ncrs-2019-0260","","x-ray","0.71073","MoKα","","0.0328","0.0284","","","0.0768","0.08","","","","","","1.04","","","","has coordinates","278703","2022-10-21","09:09:12",""
"8105937","20.745","0.002","6.7956","0.0008","20.47","0.003","90","","90","","90","","2885.8","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H10 Br N O2 -","- C18 H10 Br N O2 -","- C144 H80 Br8 N8 O16 -","8","1","","Maluleka, Marole M.; Mphahlele, Malose J.; Onwu, Eugene E.","Crystal structure of 8-bromo-6-oxo-2-phenyl-6H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde, C18H11BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1063","1065","10.1515/ncrs-2019-0262","","x-ray","0.71073","MoKα","","0.0438","0.034","","","0.079","0.0846","","","","","","1.114","","","","has coordinates","278704","2022-10-21","09:12:35",""
"8105938","17.3812","0.0011","7.3688","0.0005","14.0744","0.0009","90","","107.915","0.003","90","","1715.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cl2 N8 O3 -","- C8 H24 Cl2 N8 O3 -","- C32 H96 Cl8 N32 O12 -","4","0.5","","Hao, Zhi Jian","Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride trihydrate, C8H18N8Cl2 ⋅ 3 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1067","1068","10.1515/ncrs-2019-0263","","","0.71073","MoKα","","0.0462","0.0365","","","0.0957","0.1012","","","","","","1.002","","","","has coordinates","278705","2022-10-21","09:15:23",""
"8105939","19.2197","0.0012","4.8579","0.0003","11.4679","0.0009","90","","106.88","0.004","90","","1024.6","0.12","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br N2 -","- C12 H9 Br N2 -","- C48 H36 Br4 N8 -","4","1","","Diko, Nyameka; Zamisa, Sizwe J.; Friedrich, Holger B.; Shozi, Mzamo L.","Crystal structure of (E)-4-bromo-N-(pyridin-2-ylmethylene)aniline, C12H9BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1069","1070","10.1515/ncrs-2019-0264","","x-ray","0.71073","MoKα","","0.0538","0.0449","","","0.1155","0.1257","","","","","","1.05","","","","has coordinates","278706","2022-10-21","09:17:49",""
"8105940","8.546","0.007","10.162","0.007","13.831","0.013","92.943","0.009","101.096","0.008","111.71","0.005","1085.1","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Br2 N4 Ni O8 -","- C40 H60 Br2 N4 Ni O8 -","- C40 H60 Br2 N4 Ni O8 -","1","0.5","","Tan, Ying-Zhi; Jia, Guo-Kai; Liu, Xiao-Wen","Crystal structure of bis[(2-(3-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylato-κ-O)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N′′,N′′′)]nickel(II), C40H60Br2N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1071","1072","10.1515/ncrs-2019-0266","","","0.71073","MoKα","","0.0431","0.0317","","","0.0834","0.0905","","","","","","0.943","","","","has coordinates","278707","2022-10-21","09:20:35",""
"8105941","12.3281","0.0004","15.8887","0.0005","16.9037","0.0006","89.015","0.002","77.885","0.003","72.021","0.003","3075.2","0.19","291.2","0.3","291.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C67 H49 Cl3 N6 O18 -","- C67 H49 Cl3 N6 O18 -","- C134 H98 Cl6 N12 O36 -","2","1","","Yu, Xiang; Yang, Xu-Li; Zhao, You-Fang; Qin, Yan; Yan, Jing; Chen, Ya-Fang","The crystal structure of (1E,2E)-2-methyl-4-((7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy)but-2-enal O-isonicotinoyl oxime–trichloromethane (3/1), C67H49Cl3N6O18","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1073","1075","10.1515/ncrs-2019-0269","","x-ray","0.71073","MoKα","","0.1121","0.0658","","","0.1356","0.1558","","","","","","1.042","","","","has coordinates","278708","2022-10-21","09:23:49",""
"8105942","9.0228","0.0012","13.6501","0.0018","11.2771","0.0015","90","","112.904","0.001","90","","1279.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 F6 N2 O2 P -","- C8 H13 F6 N2 O2 P -","- C32 H52 F24 N8 O8 P4 -","4","1","","Huang, Ting; Nie, Xu-Liang; Chen, Jing; Zhao, Wen; Xiong, Wan-Ming","Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-methyl-1H-imidazol-3-ium hexafluoridophosphate(V), C8H13F6N2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1077","1079","10.1515/ncrs-2019-0273","","","0.71073","MoKα","","0.0854","0.0773","","","0.2317","0.2385","","","","","","1.047","","","","has coordinates","278709","2022-10-21","09:27:09",""
"8105943","14.852","0.002","12.1965","0.0018","14.166","0.002","90","","117.755","0.001","90","","2270.8","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H65 Br2 N4 Ni O8.5 -","- C42 H64 Br2 N4 Ni O8 -","- C84 H128 Br4 N8 Ni2 O16 -","2","0.5","","Qiong, Wang; Jia, Guo-Kai; Liu, Xiao-Wen","Crystal structure of bis[(2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ O)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N′′,N′′′)]nickel(II) hemihydrate C42H65Br2N4NiO8.5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1081","1082","10.1515/ncrs-2019-0280","","","0.71073","MoKα","","0.0605","0.0449","","","0.12","0.1276","","","","","","1.093","","","","has coordinates","278710","2022-10-21","09:30:37",""
"8105944","20.3481","0.0008","10.2647","0.0004","23.6975","0.0011","90","","105.317","0.005","90","","4773.8","0.4","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H23 F2 N3 O S -","- C28 H23 F2 N3 O S -","- C224 H184 F16 N24 O8 S8 -","8","1","","Alotaibi, Mohammad Hayal; Abdel-Wahab, Bakr F.; Aldosari, Obaid Fahad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of N-(7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonothioyl)benzamide, C28H23F2N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1083","1085","10.1515/ncrs-2019-0281","","","0.71073","MoKα","","0.0908","0.0489","","","0.1256","0.1543","","","","","","1.027","","","","has coordinates,has disorder","278711","2022-10-21","09:32:52",""
"8105945","7.8951","0.0005","9.9303","0.0007","10.5446","0.0007","90","","105.508","0.007","90","","796.61","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C36 H40 N8 O4 -","2","0.5","","Luo, Xiao-Li; Yang, Tao","The crystal structure of N 1,N 4-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide, C18H20N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1087","1089","10.1515/ncrs-2019-0284","","","1.54178","CuKα","","0.05","0.0357","","","0.088","0.0923","","","","","","0.974","","","","has coordinates","278712","2022-10-21","09:35:59",""
"8105946","8.9446","0.0003","13.4223","0.0004","13.4559","0.0004","83.371","0.003","71.724","0.003","75.383","0.003","1483.18","0.09","105.6","0.5","105.6","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C34 H37 N5 O3 -","- C34 H37 N5 O3 -","- C68 H74 N10 O6 -","2","1","","Yuan, Juan","Crystal structure of (E)-2-(3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl)-N′-((6-methylpyridin-2-yl)methylene)benzohydrazide – methanol (1/1), C34H37N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1091","1093","10.1515/ncrs-2019-0285","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.0965","0.0981","","","","","","1.034","","","","has coordinates","278713","2022-10-21","09:38:22",""
"8105947","11.3525","0.001","12.753","0.0011","13.1926","0.0012","83.894","0.001","69.314","0.001","84.72","0.001","1773.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F3 N4 O2 -","- C20 H13 F3 N4 O2 -","- C80 H52 F12 N16 O8 -","4","2","","Yun-lian, Shi; Tao, Huang; Xu-Liang, Nie; Feng-Rong, Zhang; Da-Yong, Peng; Xu-Gen, Shi; Bao-Tong, Li","Crystal structure of 2-oxo-1-(pyrimidin-5-ylmethyl)-3-(3-(trifluoromethyl)phenyl)-1,2-dihydro-5l4-pyrido[1,2-a]pyrimidin-4-olate, C20H13F3N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1095","1097","10.1515/ncrs-2019-0286","","","0.71073","MoKα","","0.0694","0.0477","","","0.1246","0.1433","","","","","","1.004","","","","has coordinates","278727","2022-10-24","07:25:35",""
"8105948","21.645","0.003","11.4467","0.0018","12.985","0.002","90","","103.156","0.003","90","","3132.8","0.8","172","2","172","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 N2 O4 Zn -","- C19 H11 N2 O4 Zn -","- C152 H88 N16 O32 Zn8 -","8","1","","Wang, Daguang; Li, Wei; Sun, Yabin","Crystal structure of poly[(μ3-9H-carbazole-3,6-dicarboxylato-κ3 O 1: O 2: O 3)(μ2-4-(pyridin-4-yl)pyridine-κ2 N 1:N 1′)zinc(II)], C19H11N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1099","1101","10.1515/ncrs-2019-0288","","","0.71073","MoKα","","0.0682","0.0436","","","0.1068","0.1193","","","","","","1.013","","","","has coordinates","278728","2022-10-24","07:30:39",""
"8105949","14.4372","0.0003","11.9366","0.0002","10.23409","0.00019","90","","106.963","0.002","90","","1686.92","0.06","115.2","0.3","115.2","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Huanhuan, Yang; Qingqing, Xu; Haodong, Feng; Yuan, Juan","Crystal structure of (E)-N′-((1,8-dihydropyren-1-yl)-methylene)picolinohydrazide, C23H15N3O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1103","1104","10.1515/ncrs-2019-0297","","x-ray","1.54184","CuKα","","0.0414","0.038","","","0.1026","0.1055","","","","","","1.062","","","","has coordinates","278729","2022-10-24","07:35:29",""
"8105950","13.2003","0.0001","11.4655","0.0001","16.739","0.0001","90","","100.955","0.001","90","","2487.25","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cd Cl2 P2 -","- C26 H24 Cd Cl2 P2 -","- C104 H96 Cd4 Cl8 P8 -","4","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly{[μ2-1,2-bis(diphenylphosphino)ethane]dichloridocadmium(II)}, C26H24CdCl2P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1105","1107","10.1515/ncrs-2019-0371","","","1.54184","CuKα","","0.0179","0.0173","","","0.0448","0.0451","","","","","","1.046","","","","has coordinates","278730","2022-10-24","07:50:16",""
"8105951","4.7975","0.0002","9.8725","0.0003","11.0244","0.0003","85.312","0.003","79.872","0.003","87.6","0.003","512.09","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N4 O8 -","- C18 H26 N4 O8 -","- C18 H26 N4 O8 -","1","0.5","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the 1:2 co-crystal between N,N′-bis(4-pyridylmethyl)oxalamide and acetic acid as a dihydrate, C14H14N4O2⋅2 C2H4O2⋅2 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1109","1111","10.1515/ncrs-2019-0477","","","1.54184","CuKα","","0.039","0.0381","","","0.1057","0.1064","","","","","","1.135","","","","has coordinates","278731","2022-10-24","08:21:14",""
"8105952","5.0305","0.0001","12.4151","0.0004","15.5353","0.0005","96.186","0.003","98.961","0.002","96.669","0.002","944.05","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the co-crystal N,N′-bis(3-pyridylmethyl)oxalamide acetic acid (1/2), C14H14N4O2⋅2C2H4O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1113","1116","10.1515/ncrs-2019-0478","","","1.54184","CuKα","","0.0488","0.0421","","","0.1149","0.1213","","","","","","1.032","","","","has coordinates","278732","2022-10-24","08:25:14",""
"8105953","5.0726","0.0001","10.9432","0.0002","19.809","0.0003","104.475","0.002","90.427","0.002","92.908","0.002","1063.1","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F4 I2 N4 O2 -","- C20 H14 F4 I2 N4 O2 -","- C40 H28 F8 I4 N8 O4 -","2","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the co-crystal N,N′-bis(4-pyridylmethyl)oxalamide and 2,3,5,6-tetrafluoro-1,4-di-iodobenzene (1/1), C14H14N4O2⋅C6F4I2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1117","1119","10.1515/ncrs-2019-0479","","","1.54184","CuKα","","0.034","0.0329","","","0.0891","0.0907","","","","","","1.053","","","","has coordinates","278733","2022-10-24","08:29:09",""
"8105954","21.2034","0.0007","5.0614","0.0002","27.5987","0.0012","90","","105.991","0.004","90","","2847.3","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H30 N4 O4 S2 -","- C32 H30 N4 O4 S2 -","- C128 H120 N16 O16 S8 -","4","0.5","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the co-crystal 4-[(4-carboxyphenyl)disulfanyl]benzoic acid–(1E,4E)-1-N,4-N-bis(pyridin-4-ylmethylidene)cyclohexane-1,4-diamine (1/1), C14H10O4S2⋅C18H20N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1121","1123","10.1515/ncrs-2019-0488","","","1.54184","CuKα","","0.0457","0.0431","","","0.1218","0.1246","","","","","","1.065","","","","has coordinates","278734","2022-10-24","08:32:23",""
"8105955","17.9296","0.0004","9.6012","0.0001","16.1859","0.0003","90","","103.934","0.002","90","","2704.34","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O6 Re2 S4 -","- C20 H28 N2 O6 Re2 S4 -","- C80 H112 N8 O24 Re8 S16 -","4","0.5","","Lo, Kong Mun; Lee, See Mun; Heard, Peter J.; Tiekink, Edward R.T.","Crystal structure of hexacarbonyl-bis(μ2-di-n-propyldithiocarbamato-κ3 S,S′:S;κ3 S:S:S′)-di-rhenium(I), C20H28N2O6Re2S4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1125","1127","10.1515/ncrs-2019-0494","","","1.54184","CuKα","","0.0337","0.0336","","","0.0901","0.0902","","","","","","1.072","","","","has coordinates","278735","2022-10-24","08:36:02",""
"8105956","11.99393","0.00005","20.48791","0.00011","13.67105","0.00006","90","","103.335","0.0005","90","","3268.82","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N2 O5 Re S2 -","- C12 H17 N2 O5 Re S2 -","- C96 H136 N16 O40 Re8 S16 -","8","2","","Lee, See Mun; Lo, Kong Mun; Heard, Peter J.; Tiekink, Edward R.T.","Crystal structure of fac-tricarbonyl-morpholine-κN-(morpholinocarbamodithioato-κ2 S,S′)rhenium(I), C12H17N2O5ReS2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1129","1132","10.1515/ncrs-2019-0495","","","1.54184","CuKα","","0.0248","0.0238","","","0.0621","0.0629","","","","","","0.987","","","","has coordinates,has disorder","278736","2022-10-24","08:39:59",""
"8105957","18.6618","0.001","13.5466","0.0006","14.7722","0.0008","90","","108.481","0.002","90","","3541.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N4 O10 Zn -","- C16 H12 N4 O10 Zn -","- C128 H96 N32 O80 Zn8 -","8","1","","Wang, Wen-Bin; Shi, Xin-Chang; Li, Ying-Ying; Cheng, Fang-Rong","Crystal structure of [aqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4N3,N3′,O4,O4′] zinc(II)] monohydrate, C16H10N4O9Zn⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1133","1135","10.1515/ncrs-2019-0201","","","0.71073","MoKα","","0.0467","0.0392","","","0.1028","0.1061","","","","","","1.1","","","","has coordinates","278737","2022-10-24","08:43:09",""
"8105958","10.5986","0.0005","11.5298","0.0005","13.5386","0.0006","102.694","0.001","102.999","0.001","108.918","0.001","1446.03","0.11","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","ethyl 3-(4-methoxyphenyl)-5-methylcarbamoyl-1<i>H</i>-pyrazole-4-carboxylate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","2","","Rashid, Fatin Nur Ain Abdul; Mohammat, Mohd Fazli; Arshad, Suhana; Shaameri, Zurina; Hamzah, Ahmad Sazali","Crystal structure of ethyl 3-(4-methoxyphenyl)-5-methylcarbamoyl-1H-pyrazole-4-carboxylate, C15H17N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1137","1139","10.1515/ncrs-2019-0203","","","0.71073","MoKα","","0.0794","0.0525","","","0.1343","0.1526","","","","","","1.047","","","","has coordinates","278738","2022-10-24","08:54:23",""
"8105959","25.1579","0.001","9.9356","0.0004","20.1799","0.0007","90","","91.741","0.004","90","","5041.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H26.5 F2 N3.5 O0.5 S -","- C28.5 H26.5 F2 N3.5 O0.5 S -","- C228 H212 F16 N28 O4 S8 -","8","1","","Aldosari, Obaid Fahad; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-N-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide–dimethylformamide (2/1), C27H23F2N3S, 0.5(C3H7NO)","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1141","1143","10.1515/ncrs-2019-0261","","","0.71073","MoKα","","0.0812","0.0508","","","0.1166","0.1385","","","","","","1.035","","","","has coordinates","278739","2022-10-24","08:59:29",""
"8105960","13.312","0.002","8.8222","0.0013","12.4784","0.0018","90","","115.35","0.002","90","","1324.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Li, Xia; Liu, Shangjun","Crystal structure of 4,4′-(hydrazonomethylene)diphenol dihydrate, C13H16N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1145","1146","10.1515/ncrs-2019-0276","","","0.71073","MoKα","","0.0479","0.0372","","","0.0696","0.0739","","","","","","1.038","","","","has coordinates","278740","2022-10-24","09:02:16",""
"8105961","3.9935","0.0016","16.629","0.007","19.406","0.008","90","","90","","90","","1288.7","0.9","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Pan, Jun; Jia, Guo-Kai; Liu, Fang; Chen, Xiao-Ming; Zhang, Xing-Yu","Crystal structure of 4-methoxyphenyl-3-phenylpropiolate, C16H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1147","1148","10.1515/ncrs-2019-0279","","","0.71073","MoKα","","0.0523","0.0387","","","0.0994","0.1084","","","","","","1.035","","","","has coordinates","278741","2022-10-24","09:13:30",""
"8105962","11.37","0.002","14.287","0.003","17.621","0.003","85.929","0.002","88.392","0.002","74.464","0.002","2750.7","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 Br14 Cu11 N32 -","- C80 H96 Br14 Cu11 N32 -","- C80 H96 Br14 Cu11 N32 -","1","0.5","","Liu, Fu-Jie; Wang, Guo-Xi","Crystal Structure of tris(tetrakis{1-vinyl-1H-imidazole-κN}copper(II)) bis[tri-μ2-bromido-tetrabromido-bis(1-vinyl-1H-imidazole-κN)tetracopper(I)], C80H96N32Cu11Br14","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1149","1151","10.1515/ncrs-2019-0283","","","0.71073","MoKα","","0.1016","0.0432","","","0.0696","0.0859","","","","","","1.006","","","","has coordinates,has disorder","278742","2022-10-24","09:32:57",""
"8105963","9.18664","0.00012","14.50209","0.00016","23.1787","0.0003","90","","94.0829","0.0012","90","","3080.16","0.07","113.5","0.4","113.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 N6 O2 -","- C37 H36 N6 O2 -","- C148 H144 N24 O8 -","4","1","","Song, Jun-Ying; Wang, Zi-Chuang; Zhang, Zhen-Qiang","Crystal structure of (E)-2-(3,6-bis(diethylamino)-9H-xanthen-9-yl)-N′-(quinoxalin-2-ylmethylene)benzohydrazide, C37H36N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1153","1155","10.1515/ncrs-2019-0290","","x-ray","1.54184","CuKα","","0.0438","0.0398","","","0.1009","0.1041","","","","","","1.031","","","","has coordinates,has disorder","278743","2022-10-24","09:37:41",""
"8105964","17.841","0.0005","15.3081","0.0004","11.3881","0.0003","90","","104.28","0.001","90","","3014.12","0.14","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","1","","Adesola, Adeleke A.; Zamisa, Sizwe J.; Omondi, Bernard","Crystal structure of 4-(1-phenylimidazo[1,5-a]pyridin-3-yl)benzoic acid (C20H14N2O2)","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1157","1159","10.1515/ncrs-2019-0300","","x-ray","0.71073","MoKα","","0.0463","0.0364","","","0.0911","0.0997","","","","","","1.036","","","","has coordinates,has disorder","278744","2022-10-24","09:40:29",""
"8105965","14.3646","0.0018","15.5927","0.0019","19.645","0.003","90","","90","","90","","4400.1","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F N2 O4 S -","- C24 H23 F N2 O4 S -","- C192 H184 F8 N16 O32 S8 -","8","1","","Cai, Zedong; Huang, Xie; He, Wei","Crystal structure of 3-fluoro-3-methyl-1-((2-nitrophenyl)sulfonyl)-5,5-diphenylpiperidine, C24H23FN2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1161","1162","10.1515/ncrs-2019-0302","","","0.71073","MoKα","","0.042","0.0349","","","0.0919","0.0982","","","","","","1.036","","","","has coordinates","278745","2022-10-24","09:42:36",""
"8105966","21.705","0.008","18.455","0.006","17.774","0.007","90","","112.216","0.006","90","","6591","4","128.15","","128.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H41 N2 O2.5 -","- C41.5 H41 N2 O2.5 -","- C332 H328 N16 O20 -","8","2","","Wang, Ya-Nan; Wu, Yan; Tian, Ye","Crystal structure of dimethyl 3,12-dibenzyl-6,10-diphenyl-3,12-diazapentacyclo [6.3.1.02.7.04.11.05.9]-dodecane-7,11-dicarboxylate — acetone (2/1), C40H38N2O2 ⋅ 0.5C3H6O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1163","1166","10.1515/ncrs-2019-0303","","","0.71075","MoKα","","0.0907","0.0647","","","0.1375","0.1531","","","","","","1.138","","","","has coordinates","278767","2022-10-25","08:14:16",""
"8105967","6.5358","0.0003","6.0583","0.0004","24.9951","0.0011","90","","92.04","0.004","90","","989.07","0.09","288.74","0.1","288.74","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Ag N3 O3 -","- C9 H8 Ag N3 O3 -","- C36 H32 Ag4 N12 O12 -","4","1","","Li, Kai-Hui; Zhang, Peng","Crystal structure of poly[(μ2-2-(1H-1,2,4-triazol-1-yl)benzoato-κ4O:O′:N:N′)silver(I)] monohydrate, C9H8AgO3N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1167","1168","10.1515/ncrs-2019-0304","","x-ray","0.71073","MoKα","","0.0367","0.0297","","","0.0521","0.0552","","","","","","1.066","","","","has coordinates","278768","2022-10-25","08:18:23",""
"8105968","9.6161","0.0007","16.5427","0.0011","15.89","0.0011","90","","105.653","0.001","90","","2434","0.3","152","2","152","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Wang, Daguang; Li, Wei; Sun, Yabin","Crystal structure of poly[(μ2-9H-carbazole-3,6-dicarboxylate-κ4O1,O2:O3,O4)(μ2-1,3-di(pyridin-4-yl)propane-κ2N:N′)cadmium(II)]monohydrate, C27H23N3O5Cd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1169","1171","10.1515/ncrs-2019-0307","","","0.71073","MoKα","","0.0494","0.0327","","","0.0755","0.0828","","","","","","1.02","","","","has coordinates","278769","2022-10-25","08:23:21",""
"8105969","11.6429","0.001","10.9111","0.001","24.234","0.002","90","","93.289","0.001","90","","3073.5","0.5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-<i>p<i>-tolyl-benzothiazolato-N,C^2^)Iridium(III)(N,N'- diethyldithiocarbamate)","","- C33 H30 Ir N3 S4 -","- C33 H30 Ir N3 S4 -","- C132 H120 Ir4 N12 S16 -","4","1","","Chen, Lianqing; Wu, Zhongda; Yang, Jing; Zhang, Shijuan","The synthesis and crystal structure of bis(2-(benzo[d]thiazol-2-yl)-5-methylbenzen-1-ido-κ2C,N)-(N,N′-diethyldithiocarbamato-κ2S,S′)iridium(III), C33H30N3S4Ir","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1173","1176","10.1515/ncrs-2019-0308","","","0.71073","MoKα","","0.0244","0.0198","","","0.0487","0.0507","","","","","","1.023","","","","has coordinates","278770","2022-10-25","08:34:37",""
"8105970","18.734","0.001","9.401","0.001","19.233","0.001","90","","90","","90","","3387.3","0.4","100.15","","100.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfonyl)-<i>H<i>-pyrazole-3-carboxamide","","- C12 H6 Cl2 F6 N4 O3 S -","- C12 H6 Cl2 F6 N4 O3 S -","- C96 H48 Cl16 F48 N32 O24 S8 -","8","2","","Chen, Lianqing; Tian, Lijun","The crystal structure of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfonyl)-1H-pyrazole-3-carboxamide, C12H6N4Cl2F6O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1177","1179","10.1515/ncrs-2019-0310","","","0.71073","MoKα","","0.0624","0.0449","","","0.0987","0.1074","","","","","","1.028","","","","has coordinates,has disorder","278771","2022-10-25","08:40:56",""
"8105971","11.2983","0.0005","9.2539","0.0004","17.0604","0.0007","90","","105.398","0.001","90","","1719.69","0.13","193","2","192.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd N6 O6 -","- C14 H14 Cd N6 O6 -","- C56 H56 Cd4 N24 O24 -","4","1","","Xu, Bin; Yang, Qing-Lin; Yun, Meng; Zhang, Xiao-Yu; Wu, Yan-Fang; Dong, Xiu-Yan","Synthesis and crystal structure of poly[(μ2-nitrato-κ4O,O′:O′,O′′)-nitrato-κO-(μ2-1,4-bis((1H-imidazol-1-yl)methyl)benzene-κ2N:N′)cadmium(II)], C14H14N6O6Cd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1181","1182","10.1515/ncrs-2019-0311","","","1.34139","GaKα","","0.033","0.0321","","","0.1039","0.106","","","","","","0.906","","","","has coordinates","278772","2022-10-25","08:50:21",""
"8105972","11.1445","0.0007","8.5442","0.0005","14.2503","0.0008","90","","97.5684","0.0011","90","","1345.1","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Safavora, A.S.; Brito, Ivan; Cisterna, Jonathan; Cárdenas, Alejandro; Huseynov, E.Z.; Khalilov, A.N.; Naghiyev, F.N.; Askerov, R.K.; Maharramov, A.M.","Crystal structure of ethyl (Z)-(4-oxo-4-phenylbut-2-en-2-yl)glycinate, C14H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1183","1185","10.1515/ncrs-2019-0312","","","0.71073","MoKα","","0.1358","0.0668","","","0.1442","0.168","","","","","","1.001","","","","has coordinates","278773","2022-10-25","08:55:12",""
"8105973","8.7472","0.0004","8.7822","0.0004","9.4065","0.0004","102.745","0.004","105.489","0.004","91.949","0.004","675.88","0.06","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Br2 F4 I2 N4 -","- C26 H14 Br2 F4 I2 N4 -","- C26 H14 Br2 F4 I2 N4 -","1","0.5","","Wang, Weizhou","Halogen bonds in the crystal structure of 5-bromo-3,4′-bipyridine – 1,4-diiodotetrafluorobenzene (2/1), C26H14Br2F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1187","1188","10.1515/ncrs-2019-0316","","x-ray","0.71073","MoKα","","0.0447","0.0336","","","0.0759","0.0813","","","","","","1.045","","","","has coordinates","278798","2022-10-26","07:51:04",""
"8105974","9.733","0.002","11.361","0.0008","21.497","0.0003","89.635","0.003","82.334","0.003","69.794","0.003","2208.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Gd2 N12 O24 S6 -","- C84 H84 Gd2 N12 O24 S6 -","- C84 H84 Gd2 N12 O24 S6 -","1","0.5","","Deng, Tao-Li; Liu, Zheng-Jun; Chen, Xiao-Miao; Liu, Xue-Mei","Crystal structure of bis(2,2′-bipyridine-κ2N,N′)-tetrakis(μ2-3-(phenylsulfonamido)propanoato-κ2O:O′)-bis(3-(phenylsulfonamido)propanoato-κ2O,O′)digadolinium(III) – 2,2′-bipyridine (1/1), C84H84Gd2N12O24S6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1189","1191","10.1515/ncrs-2019-0318","","","0.71073","MoKα","","0.0706","0.0467","","","0.0862","0.0925","","","","","","0.994","","","","has coordinates","278799","2022-10-26","08:29:34",""
"8105975","7.1305","0.0007","7.3558","0.0006","9.8517","0.001","73.816","0.009","82.648","0.008","88.08","0.007","492.17","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Ag2 N5 O8 S2 -","- C14 H16 Ag2 N5 O8 S2 -","- C14 H16 Ag2 N5 O8 S2 -","1","0.5","","Li, Jia-Wei; Jiang, Jin-Ke; Jiang, Hui","Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ2O:O′)bis(μ2-pyrazin-κ2N:N′)silver(I)], C14H16Ag2N5O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1193","1194","10.1515/ncrs-2019-0320","","","0.71073","MoKα","","0.0574","0.0491","","","0.148","0.1515","","","","","","1.252","","","","has coordinates","278800","2022-10-26","08:33:41",""
"8105976","21.413","0.004","9.8568","0.0017","22.074","0.004","90","","93.426","0.004","90","","4650.7","1.5","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","1,6-di-<i>tert</i>-butyl-1,1,3,3,4,4,6,6-octamethyl-2,2,5,5-tetrakis (trimethylsilyl)hexasilane","","- C28 H78 Si10 -","- C28 H78 Si10 -","- C112 H312 Si40 -","4","2","","Xiao, Xu-Qiong; Xu, Jun-Ting; Wu, Yinan; Wang, Qiong-Yan","The crystal structure of 1,6-di-tert-butyl-1,1,3,3,4,4,6,6-octamethyl-2,2,5,5-tetrakis (trimethylsilyl)hexasilane, C28H78Si10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1195","1198","10.1515/ncrs-2019-0321","","","0.71073","MoKα","","0.1139","0.0613","","","0.1386","0.175","","","","","","0.928","","","","has coordinates","278801","2022-10-26","08:37:25",""
"8105977","19.0663","0.0005","5.2781","0.0001","13.3458","0.0004","90","","127.771","0.001","90","","1061.63","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Discandium triruthenium tetrasilicide","","- Ru3 Sc2 Si4 -","- Ru3 Sc2 Si4 -","- Ru24 Sc16 Si32 -","8","1","","Ibuka, Soshi; Matsushita, Yoshitaka; Imai, Motoharu","Crystal structure of discandium triruthenium tetrasilicide, Sc2Ru3Si4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1199","1200","10.1515/ncrs-2019-0324","","","0.71073","MoKα","","0.0213","0.0209","","","0.0523","0.053","","","","","","1.214","","","","has coordinates","278802","2022-10-26","08:41:33",""
"8105978","10.4629","0.001","10.9785","0.0008","12.3483","0.0015","90","","109.766","0.012","90","","1334.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Ag2 N9 O6 S2 -","- C22 H30 Ag2 N9 O6 S2 -","- C44 H60 Ag4 N18 O12 S4 -","2","0.5","","Jiang, Jin-Ke; Li, Gang-Mei; Sun, Jian-Nan; Ju, Ge-Shuang; Du, Jing-Jie; Jin, Xin","Crystal structure of poly[(μ2-4-amino-1,5-naphthalenedisulfonato-κ4O,N:O′, N′)bis(μ2-hexamethylenetetramino-κ2N;N′)silver(I)], {C22H30Ag2N9O6S2}n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1201","1202","10.1515/ncrs-2019-0326","","","0.71073","MoKα","","0.0759","0.0662","","","0.1325","0.1356","","","","","","1.21","","","","has coordinates","278803","2022-10-26","08:45:34",""
"8105979","9.0311","0.0003","9.4464","0.0003","12.6951","0.0005","109.279","0.0011","92.6348","0.0012","116.251","0.001","892.97","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N4 O12 Zn -","- C13 H18 N4 O12 Zn -","- C26 H36 N8 O24 Zn2 -","2","1","","Li, Xiao-Fei; Ma, Li-Gang; Guo, Wen-Feng; Zhao, Wen-Feng","Crystal structure of diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-κ4O,O′,N,N′)]zinc(II) dihydrate, C13H18N4O12Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1203","1205","10.1515/ncrs-2019-0327","","","0.71073","MoKα","","0.0315","0.0263","","","0.0685","0.0712","","","","","","1.035","","","","has coordinates,has disorder","278804","2022-10-26","08:49:15",""
"8105980","8.4459","0.0002","23.8845","0.0005","13.0653","0.0003","90","","105.096","0.002","90","","2544.66","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Ag N4 O5 S -","- C25 H27 Ag N4 O5 S -","- C100 H108 Ag4 N16 O20 S4 -","4","1","","Zhang, Qiang; Shuai, Wen-Lin; Yang, Tao","The crystal structure of poly [(μ3-N1,N4-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide-κ3-O:N:N′)-(p-toluenesulfonato-κ2O,O′)silver(I)], C25H27Ag1N4O5S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1207","1209","10.1515/ncrs-2019-0331","","","0.71073","MoKα","","0.0626","0.0315","","","0.0642","0.0689","","","","","","0.917","","","","has coordinates","278805","2022-10-26","08:52:05",""
"8105981","27.323","0.003","5.8516","0.0006","8.9145","0.001","90","","103.596","0.003","90","","1385.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Br2 O2 -","- C14 H12 Br2 O2 -","- C56 H48 Br8 O8 -","4","0.5","","Teng, Ming-Gang; Qin, Yu-Mei; Long, Dan; Cao, Jian-Xin; Zhao, Chun-Shen","The crystal structure of 1,2-bis(3-bromophenoxy) ethane, C14H12Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1211","1212","10.1515/ncrs-2019-0332","","","0.71073","MoKα","","0.0671","0.0378","","","0.0901","0.1019","","","","","","1.02","","","","has coordinates","278806","2022-10-26","09:11:30",""
"8105982","8.1182","0.0005","9.0097","0.0005","14.8013","0.001","72.603","0.002","82.642","0.002","79.351","0.003","1012.22","0.11","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","4-(pyren-1-yl)butyl-3-nitrobenzoate","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C54 H42 N2 O8 -","2","1","","Barrientos, Claudio; Barahona, Patricia; Guevara, Juan Luis; Squella, J. Arturo; Moris, Silvana","The crystal structure of 4-(pyren-1-yl)butyl-3-nitrobenzoate, C27H21NO4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1213","1214","10.1515/ncrs-2019-0340","","","0.71073","MoKα","","0.0488","0.0367","","","0.0939","0.1018","","","","","","1.027","","","","has coordinates","278807","2022-10-26","09:18:23",""
"8105983","8.2372","0.0008","9.71","0.001","13.7518","0.0014","100.06","0.001","101.854","0.001","91.675","0.001","1057.48","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Cl2 N4 Ni O8 -","- C40 H60 Cl2 N4 Ni O8 -","- C40 H60 Cl2 N4 Ni O8 -","1","0.5","","Liao, Yang; Yan, Rong-Ling","Crystal structure of bis[(2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylato-κ1O) (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)]nickel(II), C40H60Cl2N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1215","1216","10.1515/ncrs-2019-0342","","","0.71073","MoKα","","0.0394","0.0311","","","0.0721","0.0761","","","","","","1.032","","","","has coordinates","278808","2022-10-26","09:21:31",""
"8105984","5.3193","0.0002","11.3307","0.0004","15.1131","0.0005","90","","93.329","0.001","90","","909.35","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5-dinitro-2,3,4-trichlorobenzene","","- C6 H Cl3 N2 O4 -","- C6 H Cl3 N2 O4 -","- C24 H4 Cl12 N8 O16 -","4","1","","Peilan, Wang; Jianlong, Wang; Lizhen, Chen; Zihao, Zhao; Cai, Cao","The crystal structure of 1,5-dinitro-2,3,4-trichlorobenzene, C6H1Cl3N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1217","1218","10.1515/ncrs-2019-0343","","","0.71073","MoKα","","0.029","0.0264","","","0.1027","0.1098","","","","","","0.972","","","","has coordinates","278809","2022-10-26","09:26:38",""
"8105985","11.3953","0.0011","5.9373","0.0004","9.7498","0.0009","90","","96.63","0.004","90","","655.23","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H1.24 Cl0.76 N4 O4 -","- C3 H1.241 Cl0.759 N4 O4 -","- C12 H4.964 Cl3.036 N16 O16 -","4","1","","Jianlong, Wang; Yunzhang, Liu; Lizhen, Chen; Zhihua, Li; Wanghua, Hu","The crystal structure of the solid solution of 3,5-dinitropyrazole and 4-chlorine-3,5-dinitropyrazole, C3H1.24Cl0.76N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1219","1220","10.1515/ncrs-2019-0345","","","0.71073","MoKα","","0.0632","0.0446","","","0.0986","0.1068","","","","","","1.054","","","","has coordinates,has disorder","278810","2022-10-26","09:30:44",""
"8105986","5.1166","0.0012","8.711","0.002","8.744","0.002","103.169","0.007","90.454","0.006","96.121","0.007","377.1","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 N3 O4 -","- C5 H7 N3 O4 -","- C10 H14 N6 O8 -","2","1","","Yunzhang, Liu; Lizhen, Chen; Jianlong, Wang; Luyao, Zhang; Jian, Ruan","The cocrystal structure of 4-nitropyrazole — acetic acid (1/1), C5H7N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1221","1222","10.1515/ncrs-2019-0356","","","0.71073","MoKα","","0.1383","0.0619","","","0.1034","0.1241","","","","","","1.041","","","","has coordinates","278811","2022-10-26","09:32:49",""
"8105987","21.0595","0.0011","14.8565","0.0008","7.6437","0.0004","90","","90","","90","","2391.5","0.2","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C9 H8 N4 O7 -","- C9 H8 N4 O7 -","- C72 H64 N32 O56 -","8","1","","Lizhen, Chen; Yunzhang, Liu; Jianlong, Wang; Jun, Chen; Hongxia, Pan","The crystal structure of propan-2-one O-(2,4,6-trinitrophenyl) oxime, C9H8N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1223","1224","10.1515/ncrs-2019-0357","","","0.71073","MoKα","","0.0613","0.0397","","","0.075","0.0825","","","","","","1.027","","","","has coordinates","278812","2022-10-26","09:35:28",""
"8105988","9.989","0.0011","14.4529","0.0016","21.635","0.002","90","","90","","90","","3123.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C120 H136 N8 O32 S8 -","8","1","","Wu, Deng-Ze","The crystal structure of ethyl 2-(3-(2-ethoxy-2-oxoethyl)benzo[d] thiazol-2(3H)-ylidene)acetate, C15H17NO4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1225","1226","10.1515/ncrs-2019-0359","","","0.71073","MoKα","","0.0779","0.0565","","","0.1487","0.1656","","","","","","1.028","","","","has coordinates,has disorder","278813","2022-10-26","09:39:05",""
"8105989","12.759","0.003","19.347","0.005","18.945","0.005","90","","97.321","0.005","90","","4638","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 Cl3 Mn2 N4 O10 -","- C48 H37 Cl3 Mn2 N4 O10 -","- C192 H148 Cl12 Mn8 N16 O40 -","4","1","","Li, Feng","Crystal structure of (acetic acid-κ1O)-bis(μ2-2-chlorobenzoato-κ2O:O′)-(2-chlorobenzoato-κ1O)-(μ2-hydroxy-κ2O:O)-bis(1,10-phenanthroline-κ2N,N′)dimanganese(II) — methanol (1/1), C48H37Cl3Mn2N4O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1227","1229","10.1515/ncrs-2019-0360","","","0.71073","MoKα","","0.0661","0.0432","","","0.1054","0.1196","","","","","","1.022","","","","has coordinates","279067","2022-11-08","07:38:56",""
"8105990","7.323","0.004","6.975","0.003","22.411","0.011","90","","93.195","0.005","90","","1142.9","1","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","1","","Wen, Yuan; Xiao, Xin-Sheng; Jia, Guo-Kai","Crystal structure of 3-methyl-2-phenyl-1,8-naphthyridine, C15H12N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1231","1232","10.1515/ncrs-2019-0364","","","0.71073","MoKα","","0.0554","0.0457","","","0.1234","0.1324","","","","","","1.047","","","","has coordinates","279068","2022-11-08","07:42:33",""
"8105991","9.072","0.0008","10.939","0.001","17.9604","0.0007","90","","97.054","0.006","90","","1768.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O Pd -","- C19 H17 Cl N2 O Pd -","- C76 H68 Cl4 N8 O4 Pd4 -","4","1","","Lou, Xin-Hua","Crystal structure of chlorido-(5-acetyl-2-(5-methylpyridin-2-yl)benzen-1-ido-κ2C,N)-pyridine-κN-palladium(II), C19H17ClN2OPd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1233","1235","10.1515/ncrs-2019-0365","","x-ray","0.71073","MoKα","","0.0547","0.0389","","","0.0733","0.0816","","","","","","1.038","","","","has coordinates","279069","2022-11-08","07:46:18",""
"8105992","10.4947","0.0011","14.3956","0.0013","19.7182","0.0018","90","","93.212","0.006","90","","2974.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 Cl N4 Ni O7 -","- C24 H45 Cl N4 Ni O7 -","- C96 H180 Cl4 N16 Ni4 O28 -","4","1","","Chen, Xiao-Ming","Crystal structure of (4-methyl-benzoato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C24H45ClN4NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1237","1239","10.1515/ncrs-2019-0366","","","0.71073","MoKα","","0.0563","0.0426","","","0.1221","0.1389","","","","","","1.065","","","","has coordinates,has disorder","279070","2022-11-08","07:49:43",""
"8105993","10.1587","0.0008","16.2842","0.0015","32.862","0.003","90","","90","","90","","5436.2","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H45 K0.26 N2 O6 Rb0.74 -","- C22 H45 K0.263 N2 O6 Rb0.737 -","- C176 H360 K2.104 N16 O48 Rb5.896 -","8","1","","Henneberger, Thomas; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O6) 1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl(potassium, rubidium) — ammonia (1/2), [K0.3Rb0.7(18-crown-6)]Cp*⋅2 NH3, C22H45K0.3N2O6Rb0.7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1241","1243","10.1515/ncrs-2019-0368","","","0.71073","MoKα","","0.134","0.0386","","","0.0537","0.0616","","","","","","0.692","","","","has coordinates","279072","2022-11-08","07:53:50",""
"8105994","11.8987","0.0006","14.0939","0.0008","16.1915","0.0009","67.59","0.005","75.402","0.005","77.522","0.004","2407.3","0.2","100.02","0.1","100.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H38 Cl2 F2 N6 O14 S2 -","- C51 H38 Cl2 F2 N6 O14 S2 -","- C102 H76 Cl4 F4 N12 O28 S4 -","2","1","","Zhao, Qin; Lin, Dong; Hou, Yun; Hou, Gui-Ge","Crystal structure of (3E,5E)-1-((4-fluorophenyl)sulfonyl)-3,5-bis(3-nitrobenzylidene)piperidin-4-one — dichloromethane (2/1), C51H38Cl2F2N6O14S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1245","1247","10.1515/ncrs-2019-0369","","","0.71073","MoKα","","0.0789","0.0584","","","0.1475","0.1645","","","","","","1.024","","","","has coordinates","279073","2022-11-08","07:57:16",""
"8105995","11.0629","0.0002","10.4583","0.0002","16.0432","0.0003","90","","92.373","0.002","90","","1854.59","0.06","116.2","0.3","116.2","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Wang, Lili","Crystal structure of (E)-N′-((1,6-dihydropyren-1-yl)methylene)isonicotinohydrazide — methanol (1/1), C24H19N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1249","1250","10.1515/ncrs-2019-0370","","x-ray","1.54184","CuKα","","0.0482","0.0435","","","0.1212","0.1269","","","","","","1.049","","","","has coordinates","279074","2022-11-08","07:59:47",""
"8105996","6.3703","0.0005","6.4191","0.0005","12.3215","0.0007","87.841","0.005","75.119","0.006","87.489","0.006","486.3","0.06","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H21 Ag2 N5 O8 S2 -","- C12 H21 Ag2 N5 O8 S2 -","- C12 H21 Ag2 N5 O8 S2 -","1","1","","Jiang, Jin-Ke; Li, Xi-Xi; Jiang, Hui; Dong, Xian-Wu","Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ3N,O:O′)-(μ4-hexamethylenetetramino-κ4N:N′:N′′:N′′′)disilver(I)] monohydrate, C12H21Ag2N5O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1251","1252","10.1515/ncrs-2019-0372","","","0.71073","MoKα","","0.0471","0.0444","","","0.1155","0.1289","","","","","","1.075","","","","has coordinates","279075","2022-11-08","08:03:26",""
"8105997","9.3591","0.0004","9.4371","0.0005","10.1106","0.0005","102.581","0.004","92.929","0.004","102.573","0.004","846.09","0.07","288.7","0.3","288.7","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O6 -","- C21 H15 N O6 -","- C42 H30 N2 O12 -","2","1","","Chang, Xin-Hong","Crystal structure of bis(acridin-10-ium) 2,5-dihydroxyterephthalate — 2,5-dihydroxyterephthalic acid (1/1), C21H15NO6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1253","1254","10.1515/ncrs-2019-0377","","x-ray","0.71073","MoKα","","0.0571","0.0452","","","0.108","0.1135","","","","","","1.071","","","","has coordinates","279076","2022-11-08","08:07:22",""
"8105998","7.9297","0.0009","11.4021","0.0014","13.3572","0.0015","90","","105.363","0.008","90","","1164.5","0.2","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,12-diazaperylene","","- C18 H10 N2 -","- C18 H10 N2 -","- C72 H40 N8 -","4","1","","Kirste, Matthias; Brietzke, Thomas; Holdt, Hans-Jürgen; Schilde, Uwe","The crystal structure of 1,12-diazaperylene, C18H10N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1255","1257","10.1515/ncrs-2019-0385","","","0.71073","MoKα","","0.0619","0.0325","","","0.0703","0.0774","","","","","","0.801","","","","has coordinates","279077","2022-11-08","08:31:20",""
"8105999","8.2387","0.0019","9.764","0.002","10.644","0.003","72.023","0.004","72.77","0.004","78.581","0.004","772.5","0.3","294","2","294.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl F N2 O -","- C17 H14 Cl F N2 O -","- C34 H28 Cl2 F2 N4 O2 -","2","1","","Liu, E.; Li, Zhuang-Yu; Jian, Fang-Fang; Liang, Tongling","Crystal structure of 1-(5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one, C17H14N2OFCl","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1259","1260","10.1515/ncrs-2019-0387","","","0.71073","MoKα","","0.0803","0.0444","","","0.0929","0.1099","","","","","","1.0527","","","","has coordinates","279078","2022-11-08","08:36:31",""
"8106000","14.09","0.003","15.642","0.003","25.956","0.006","90","","90","","90","","5721","2","250","2","250","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O4 -","- C32 H50 O4 -","- C256 H400 O32 -","8","2","","He, Kang; Wu, Tian-Tai; Shen, Lin-Yan; Fan, Lin-Lin; Ye, Jiang-Hai; Zou, Juan","Crystal structure of (4aR,6aR,6bR,10S,12aR)-10-acetoxy-1,2,3,4, 4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a, 12b,13,14b-icosahydro-2,2,4a,6b,9,9,12a-heptamethylpicene-6a-carboxylic acid, C32H50O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1261","1263","10.1515/ncrs-2019-0390","","","0.71076","MoKα","","0.0895","0.0679","","","0.1637","0.1764","","","","","","1.053","","","","has coordinates","279079","2022-11-08","08:40:34",""
"8106001","10.8703","0.001","17.0284","0.0015","18.9595","0.0017","83.196","0.001","88.909","0.002","71.523","0.002","3304.5","0.5","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 Cl8 N6 Pd2 -","- C60 H80 Cl8 N6 Pd2 -","- C120 H160 Cl16 N12 Pd4 -","2","1","","Zhao, Xiao-Yun; Chen, Lian-Hui","The crystal structure of tetrachlorido-bis{1,3-bis(2,6-diisopropylphenyl)-1H-3λ4-imidazol-2-yl}-(μ2-pyrimidine-κ2N:N′)dipalladium(IV) — dichloromethane (1/2), C60H80Cl8N6Pd2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1265","1268","10.1515/ncrs-2019-0391","","","0.71073","MoKα","","0.1119","0.0488","","","0.0967","0.1213","","","","","","0.925","","","","has coordinates","279080","2022-11-08","08:43:26",""
"8106002","7.5742","0.0004","20.0688","0.0012","13.2932","0.0008","90","","102.469","0.002","90","","1973","0.2","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O7 -","- C22 H19 N O7 -","- C88 H76 N4 O28 -","4","1","","Yu, Xiang; Peng, Lu; Wang, Xin; Chen, Ya-Fang","The crystal structure of (E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-yl 4-nitrobenzoate, C22H19NO7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1269","1270","10.1515/ncrs-2019-0393","","","0.71076","MoKα","","0.0776","0.0726","","","0.1757","0.1777","","","","","","1.079","","","","has coordinates","279081","2022-11-08","08:47:53",""
"8106003","6.6939","0.001","8.8034","0.0013","9.114","0.0013","97.749","0.002","99.285","0.002","95.917","0.002","520.9","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 N4 -","- C11 H12 N4 -","- C22 H24 N8 -","2","1","","Shi, Yun-Lian; Nie, Xu-Liang; Huang, Tao; Xie, Jin-Hui; Peng, Da-Yong; Shi, Xu-Gen; Li, Bao-Tong","Crystal structure of 3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine, C11H12N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1271","1272","10.1515/ncrs-2019-0395","","","0.71073","MoKα","","0.0425","0.0381","","","0.0971","0.103","","","","","","1.073","","","","has coordinates","279082","2022-11-08","08:50:49",""
"8106004","10.6836","0.0009","7.2382","0.0006","6.8585","0.0005","90","","92.85","0.003","90","","529.71","0.07","150","2","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl2 O6 -","- C8 H8 Cl2 O6 -","- C16 H16 Cl4 O12 -","2","0.5","","Du, Chao-Jun; Zhu, Yuan-Liang; Zeng, Yan","The crystal structure of 2,5-dichloroterephthalic acid dihydrate, C8H8Cl2O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1273","1274","10.1515/ncrs-2019-0396","","","0.71073","MoKα","","0.0346","0.0315","","","0.0791","0.0811","","","","","","1.0597","","","","has coordinates","279083","2022-11-08","08:53:26",""
"8106005","14.7148","0.0009","15.5185","0.001","16.1128","0.0009","113.219","0.006","96.735","0.005","115.259","0.006","2872","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N10 O -","- C33 H28 N10 O -","- C132 H112 N40 O4 -","4","2","","Cui, Hao; Yan, Xin-Ting; Chen, Wenya; Yang, Tao","The crystal structure of 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine — dimethylformamide (1/1), C33H28N10O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1275","1278","10.1515/ncrs-2019-0401","","","1.54178","CuKα","","0.0589","0.0426","","","0.104","0.1108","","","","","","0.955","","","","has coordinates","279084","2022-11-08","08:57:18",""
"8106006","9.2516","0.0007","10.5122","0.0008","19.7782","0.0015","90","","98.953","0.001","90","","1900.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(adamantan-1-yl)-5-(dimethylamino)naphthalene-1-sulfonamide","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C88 H112 N8 O8 S4 -","4","1","","Joubert, Jacques","Crystal structure of N-(adamantan-1-yl)-5-(dimethylamino)naphthalene-1-sulfonamide, C22H28N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1279","1281","10.1515/ncrs-2019-0404","","","0.71073","MoKα","","0.0406","0.0356","","","0.0966","0.1004","","","","","","1.068","","","","has coordinates","279085","2022-11-08","09:00:16",""
"8106007","14.6977","0.0006","5.9706","0.0002","20.722","0.001","90","","109.802","0.005","90","","1710.91","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd O11 -","- C16 H12 Cd O11 -","- C64 H48 Cd4 O44 -","4","1","","Sun, Tao; Li, Ke","Crystal structure of poly[diaqua-(μ4-4-(3,5-dicarboxy-κ1O-phenoxy)phthalato-κ3O:O′:O′)cadmium(II)], C16H12CdO11","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1283","1284","10.1515/ncrs-2019-0407","","x-ray","0.71073","MoKα","","0.0513","0.0456","","","0.1541","0.1583","","","","","","1.196","","","","has coordinates","279086","2022-11-08","09:24:18",""
"8106008","11.9331","0.0007","5.5962","0.0003","16.0671","0.0009","90","","107.391","0.006","90","","1023.91","0.11","286.74","0.11","286.74","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mn N4 O6 -","- C22 H22 Mn N4 O6 -","- C44 H44 Mn2 N8 O12 -","2","0.5","","Zhang, Tian","Crystal structure of poly[diaqua-bis(μ2-3-((1H-imidazol-1-yl)methyl)benzoato-κ2N:O)manganese(II)], C22H22MnN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1285","1286","10.1515/ncrs-2019-0411","","x-ray","0.71073","MoKα","","0.0531","0.0461","","","0.1142","0.1179","","","","","","1.136","","","","has coordinates","279087","2022-11-08","09:28:36",""
"8106009","10.972","0.006","7.392","0.004","25.804","0.01","90","","109.349","0.018","90","","1974.6","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Huang, Qian; Yuan, Quan","Crystal structure of 9-(3-phenoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione, C25H23NO3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1287","1288","10.1515/ncrs-2019-0413","","x-ray","0.71073","MoKα","","0.1917","0.064","","","0.1627","0.2381","","","","","","0.868","","","","has coordinates,has disorder","279088","2022-11-08","09:32:44",""
"8106010","13.0155","0.0007","32.7011","0.0014","9.8464","0.0004","90","","110.228","0.001","90","","3932.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 N13 O8 Zn -","- C38 H39 N13 O8 Zn -","- C152 H156 N52 O32 Zn4 -","4","1","","Cui, Hao; Qiu, Si-Si; Yang, Tao","The crystal structure of poly[(μ3-2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine-k3N:N′:N′′)-(nitrato-k2O,O)-(nitrato-k1O)zinc(II)] - N,N-dimethylacetamide (1/2), C38H39N13O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1289","1292","10.1515/ncrs-2019-0415","","","0.71073","MoKα","","0.0646","0.0476","","","0.1242","0.1358","","","","","","1.056","","","","has coordinates,has disorder","279089","2022-11-08","09:37:18",""
"8106011","9.687","0.0005","10.1849","0.0009","12.7338","0.0009","95.202","0.006","107.027","0.005","91.896","0.005","1193.97","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H14 N2 O9 Zn2 -","- C28 H14 N2 O9 Zn2 -","- C56 H28 N4 O18 Zn4 -","2","1","","Sun, Tao; Li, Ke","Crystal structure of poly[(μ7-4-(3,5-dicarboxylatophenoxy)phthalato)-(1,10-phenanthroline-κ2N,N′)dizinc(II)], C28H14N2O9Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1293","1294","10.1515/ncrs-2019-0416","","x-ray","0.71073","MoKα","","0.063","0.0516","","","0.119","0.1267","","","","","","1.082","","","","has coordinates","279090","2022-11-08","09:42:53",""
"8106012","5.757","0.003","12.106","0.005","13.139","0.006","93.725","0.012","92.508","0.015","102.282","0.014","891.3","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Qin, Yu-Mei; Zou, Xue; Long, Dan; Ji, Chun; Zhao, Chun-Shen","The crystal structure of methyl 2-(benzylamino)-5-(benzyloxy)benzoate, C22H21NO3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1295","1296","10.1515/ncrs-2019-0420","","","0.71073","MoKα","","0.0691","0.0474","","","0.1289","0.1429","","","","","","0.96","","","","has coordinates","279091","2022-11-08","10:06:02",""
"8106013","9.0747","0.0003","8.3376","0.0003","14.4578","0.0006","90","","123.826","0.001","90","","908.73","0.06","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) tetracyanoplatinate(II)","","- C14 H24 N8 Pd Pt -","- C14 H24 N8 Pd Pt -","- C28 H48 N16 Pd2 Pt2 -","2","0.5","","Ha, Kwang","Crystal structure of (1,4,8,11-tetraazacyclotetradecane)palladium(II) tetracyanoplatinate(II), C14H24N8PdPt","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1297","1298","10.1515/ncrs-2019-0421","","","0.71073","MoKα","","0.0206","0.0115","","","0.0212","0.0235","","","","","","1.069","","","","has coordinates","279092","2022-11-08","10:08:52",""
"8106014","20.6775","0.0012","11.7539","0.0007","5.4868","0.0003","90","","90","","90","","1333.52","0.13","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(pyridine-2-carboxylato-κ^2^<i>N,O</i>) [2-(2-pyridyl)phenyl-κ^2^<i>N,C</i>^1^]palladium(II))","","- C17 H12 N2 O2 Pd -","- C17 H12 N2 O2 Pd -","- C68 H48 N8 O8 Pd4 -","4","1","","Ha, Kwang","Crystal structure of (pyridine-2-carboxylato-κ2N,O)-[2-(2-pyridyl)phenyl-κ2N,C1]palladium(II), C17H12N2O2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1299","1300","10.1515/ncrs-2019-0423","","","0.71073","MoKα","","0.0179","0.0154","","","0.0362","0.0373","","","","","","1.088","","","","has coordinates","279093","2022-11-08","10:11:11",""
"8106015","6.1543","0.0001","14.4991","0.0002","15.3859","0.0003","64.545","0.002","81.828","0.001","89.505","0.001","1224.93","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N2 O6 S3 -","- C22 H32 N2 O6 S3 -","- C44 H64 N4 O12 S6 -","2","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Crystal structure of (cyclohexane-1,4-diammonium) 4-[(4-carboxylatophenyl)disulfanyl]benzoate dimethylsulphoxide hydrate (1/1/1/1), [C6H16N2]2+[C14H8O4S2]2−⋅C2H6OS⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1301","1304","10.1515/ncrs-2019-0487","","","1.54184","CuKα","","0.0321","0.029","","","0.0766","0.0787","","","","","","1.039","","","","has coordinates","279094","2022-11-08","10:14:30",""
"8106016","7.9533","0.0002","10.2718","0.0001","20.6598","0.0004","103.462","0.001","95.933","0.002","96.008","0.001","1618.11","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Br O10 S4 -","- C35 H25 Br O10 S4 -","- C70 H50 Br2 O20 S8 -","2","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the 2:1 co-crystal 2-[(2-carboxyphenyl)disulfanyl]benzoic acid – 3-bromobenzoic acid, 2(C14H10O4S2)⋅C7H5BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1305","1308","10.1515/ncrs-2019-0489","","","1.54184","CuKα","","0.0643","0.0624","","","0.1741","0.1759","","","","","","1.08","","","","has coordinates","279095","2022-11-08","10:16:57",""
"8106017","6.5837","0.0002","9.9458","0.0002","12.872","0.0003","85.344","0.002","79.508","0.002","83.832","0.002","822.33","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl N2 S2 Sn -","- C13 H19 Cl N2 S2 Sn -","- C26 H38 Cl2 N4 S4 Sn2 -","2","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-dimethyl-(phenylpiperazine-1-carbodithioato-κ2S,S′)tin(IV), C13H19ClN2S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1309","1311","10.1515/ncrs-2019-0501","","","1.54178","CuKα","","0.018","0.0176","","","0.0457","0.0461","","","","","","1.043","","","","has coordinates","279096","2022-11-08","10:19:31",""
"8106018","6.4399","0.0002","9.643","0.0003","11.6944","0.0001","91.966","0.002","101.821","0.002","105.391","0.003","682.3","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cl N S2 Sn -","- C8 H18 Cl N S2 Sn -","- C16 H36 Cl2 N2 S4 Sn2 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (N-n-butyl, N-methyl-dithiocarbamato-κ2 S,S′)-chlorido-dimethyl-tin(IV), C8H18ClNS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1313","1315","10.1515/ncrs-2019-0502","","","1.54178","CuKα","","0.0232","0.0227","","","0.0605","0.0609","","","","","","1.073","","","","has coordinates","279097","2022-11-08","10:23:13",""
"8106019","9.3186","0.0001","16.2615","0.0001","16.8482","0.0001","90","","100.748","0.001","90","","2508.29","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br4 N2 Sn -","- C24 H20 Br4 N2 Sn -","- C96 H80 Br16 N8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (2,2′-bipyridyl)bis(4-bromobenzyl)dibromidotin(IV), C24H20Br4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1317","1319","10.1515/ncrs-2019-0507","","","1.54178","CuKα","","0.026","0.0254","","","0.0683","0.0688","","","","","","1.082","","","","has coordinates","279098","2022-11-08","10:25:56",""
"8106020","7.7944","0.0001","21.1245","0.0002","14.7611","0.0001","90","","95.077","0.001","90","","2420.92","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl4 N2 Sn -","- C24 H20 Cl4 N2 Sn -","- C96 H80 Cl16 N8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (2,2′-bipyridyl)bis(4-chlorobenzyl)dichloridotin(IV), C24H20Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1321","1323","10.1515/ncrs-2019-0508","","","1.54178","CuKα","","0.0261","0.0229","","","0.0578","0.0603","","","","","","1.009","","","","has coordinates","279099","2022-11-08","10:30:57",""
"8106021","5.6183","0.0001","18.2426","0.0003","9.5185","0.0002","90","","96.835","0.002","90","","968.64","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N S2 -","- C9 H11 N S2 -","- C36 H44 N4 S8 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of N-methyl-N-phenyl(methylsulfanyl)carbothioamide, C9H11NS2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1325","1327","10.1515/ncrs-2019-0511","","","1.54184","CuKα","","0.035","0.0303","","","0.0791","0.0826","","","","","","1.04","","","","has coordinates","279100","2022-11-08","10:33:38",""
"8106022","16.188","0.0002","6.8168","0.0001","19.7605","0.0002","90","","106.412","0.001","90","","2091.73","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N4 S2 -","- C21 H28 N4 S2 -","- C84 H112 N16 S8 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of 4-phenylpiperazin-1-ium (4-phenylpiperazin-1-yl)carbothioylsulfanide, [C10H15N2][C11H13N2S2]","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1329","1331","10.1515/ncrs-2019-0512","","","1.54178","CuKα","","0.0315","0.0281","","","0.0717","0.074","","","","","","1.039","","","","has coordinates","279101","2022-11-08","10:36:06",""
"8106023","8.1234","0.0003","10.7966","0.0003","24.9785","0.0008","90","","90","","90","","2190.74","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cl2 N2 O3 Sn -","- C22 H20 Cl2 N2 O3 Sn -","- C88 H80 Cl8 N8 O12 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Tiekink, Edward R.T.","Crystal structure of catena-{di-aqua-sodium [n-butyl(methyl)carbamothioyl]sulfanide}n, [C6H16NNaO2S2]n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1333","1335","10.1515/ncrs-2019-0514","","","0.71073","MoKα","","0.0317","0.0271","","","0.0624","0.0645","","","","","","1.001","","","","has coordinates","279102","2022-11-08","10:38:32",""
"8106024","6.0101","0.0002","9.2999","0.0002","22.311","0.0006","91.482","0.002","90.594","0.003","102.631","0.002","1216.28","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 N O5 Sn -","- C23 H39 N O5 Sn -","- C46 H78 N2 O10 Sn2 -","2","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (2-([1,1-bis(hydroxymethyl)-2-oxyethyl]iminomethyl)-5-(n-decyl)phenolato)-dimethyl-tin(IV), C23H39NO5Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1337","1340","10.1515/ncrs-2019-0522","","","1.54184","CuKα","","0.0446","0.0425","","","0.1139","0.1158","","","","","","1.054","","","","has coordinates","279103","2022-11-08","10:40:54",""
"8106025","18.7178","0.0002","15.2296","0.0002","32.0558","0.0003","90","","90","","90","","9137.97","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C384 H360 Cl24 N48 O72 -","24","3","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-chloro-N′-[(1E)-(3-ethoxy-2-hydroxyphenyl)methylidene]benzohydrazide – a Z′ = 3 structure, C16H15ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1341","1344","10.1515/ncrs-2019-0528","","","1.54184","CuKα","","0.0456","0.0407","","","0.1053","0.1099","","","","","","1.015","","","","has coordinates","279104","2022-11-08","10:43:18",""
"9017146","11.171","","11.171","","21.364","","90","","90","","120","","2308.86","","","","","","","","","","","","NChwaning mine, Kuruman, South Africa","5","P 3 1 c","P 3 -2c","159","","","Ettringite","- Al2 Ca6 H66 O51 S3 -","- Al2 Ca6 H78 O51 S3 -","- Al4 Ca12 H156 O102 S6 -","2","0.333333","","Gatta, G. D.; Halenius, U.; Bosi, F.; Canadillas-Delgado L; Fernandez-Diaz M T","Minerals in cement chemistry: A single-crystal neutron diffraction study of ettringite, Ca6Al2(SO4)3(OH)12·27H2O","American Mineralogist","2019","104","","73","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9017204","15.0357","","6.9408","","9.9431","","90","","110.827","","90","","969.857","","","","","","","","","","","","Iron Monarch quarry, Iron Knob, South Australia, Australia","9","P 1 2/a 1","-P 2ya","13","","","Whiteite-(MnMnMg)","- Al1.82 Ca0.39 H16 K0.01 Mg2.08 Mn1.66 Na0.03 O26 P4 -","- Al1.82 Ca0.39 H16 K0.01 Mg2.08 Mn1.66 Na0.03 O26 P4 -","- Al3.64 Ca0.78 H32 K0.02 Mg4.16 Mn3.32 Na0.06 O52 P8 -","2","0.5","","Elliott, P.; Willis, A. C.","Whiteite-(MnMnMg), a new jahnsite-group mineral from Iron Monarch, South Australia: Description and crystal structure Note: Not all hydrogens were located","The Canadian Mineralogist","2019","57","","215","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017205","15.1559","","7.1478","","10.0209","","90","","112.059","","90","","1006.11","","","","","","","","","","","","the Malpensata pegmatite, Olgiasca, Lecco province, Italy","7","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(MnMnFe)","- Ca0.25 Fe4 H18 Mn1.4 Na0.05 O26 P4 -","- Ca0.25 Fe4 H18 Mn1.4 Na0.05 O26 P4 -","- Ca0.5 Fe8 H36 Mn2.8 Na0.1 O52 P8 -","2","0.5","","Vignola, P.; Hatert, F.; Rotiroti, N.; Nestola, F.; Risplendente, A.; Vanini, F.","Jahnsite-(MnMnFe), Mn2+Mn2+Fe22+Fe23+(PO4)4(OH)2*8H2O, a new phosphate mineral from the Malpensata pegmatite, Olgiasca, Colico municipality, Lecco province, Italy","The Canadian Mineralogist","2019","57","","225","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017206","15.177","","7.176","","10.006","","90","","111.01","","90","","1017.31","","","","","","","","","","","","Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil","9","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(MnMnMg)","- Al0.36 Ca0.25 Fe1.85 H22 Mg1.26 Mn2.02 Na0.2 O26 P4 -","- Al0.36 Ca0.25 Fe1.85 H22 Mg1.26 Mn2.02 Na0.2 O26 P4 -","- Al0.72 Ca0.5 Fe3.7 H44 Mg2.52 Mn4.04 Na0.4 O52 P8 -","2","0.5","","Vignola, P.; Hatert, F.; Baijot, M.; Rotiroti, N.; Risplendente, A.; Varvello, S.","Jahnsite-(MnMnMg), Mn2+Mn2+Mg2+2Fe3+2(PO4)4(OH)2*8H2O, a new phosphate mineral species from Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil","The Canadian Mineralogist","2019","57","","363","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017256","26.188","","7.36","","10.367","","90","","90","","90","","1998.17","","","","","","","","","","","","White Elephant mine, Pringle, South Dakota, USA","6","I m m a","-I 2b 2","74","","","Walentaite","- As2.86 Ca0.708 Fe3 Mn0.652 O19.928 P1.684 -","- As2.86 Ca0.708 Fe3 Mn0.652 O19.928 P1.684 -","- As11.44 Ca2.832 Fe12 Mn2.608 O79.712 P6.736 -","4","0.25","","Grey, I. E.; Mumme, W. G.; Hochleitner, R.","Trimeric As3+3O6 clusters in walentaite: crystal structure and revised formula","European Journal of Mineralogy","2019","31","","111","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017257","6.307","","11.074","","13.085","","90","","99.62","","90","","901.054","","","","100","","","","","","","","Hagendorf-Sud pegmatite, Oberpfalz, Bavaria, Germany","8","P 1 21/m 1","-P 2yb","11","","","Manganflurlite","- Al0.04 Fe2.07 H19 Mg0.06 Mn1.53 O23 P3 Zn1.3 -","- Al0.04 Fe2.07 H19 Mg0.06 Mn1.53 O23 P3 Zn1.3 -","- Al0.08 Fe4.14 H38 Mg0.12 Mn3.06 O46 P6 Zn2.6 -","2","0.5","","Kampf, A. R.; Grey, I. E.; MacRae, C. M.; Keck, E.","Manganflurlite, ZnMn32+Fe3+(PO4)3(OH)2(H2O)7·2H2O, a new schoonerite-related mineral from the Hagendorf-Sud pegmatite Note: T = 100 K","European Journal of Mineralogy","2019","31","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017258","14.0016","","16.8593","","5.1831","","90","","90","","90","","1223.51","","","","","","","","","","","","Hagendorf Sud pegmatite, Oberpfalz, Bavaria","6","B b m m","-B 2 2b","63","","","Ferrorockbridgeite","- Fe4.44 H5.88 Mn0.52 O17 P3 Zn0.04 -","- Fe17.76 H23.52 Mn2.08 O68 P12 Zn0.16 -","- Fe17.76 H23.52 Mn2.08 O68 P12 Zn0.16 -","","","","Grey, I. E.; Kampf, A. R.; Keck, E.; Cashion, J. D.; MacRae, C. M.; Gozukara, Y.; Peterson, V. K.; Shanks, F. L.","The rockbridgeite group approved and a new member, ferrorockbridgeite, (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O), described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria Note: neutron powder on sample IGC90","European Journal of Mineralogy","2019","31","","389","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017259","13.995","","16.884","","5.1866","","90","","90","","90","","1225.55","","","","100","","","","","","","","Hagendorf Sud pegmatite, Oberpfalz, Bavaria","6","B b m m","-B 2 2b","63","","","Ferrorockbridgeite","- Fe4.17 H5.78 Mn0.77 O17 P3 Zn0.06 -","- Fe4.17 H5.78 Mn0.77 O17 P3 Zn0.06 -","- Fe16.68 H23.12 Mn3.08 O68 P12 Zn0.24 -","4","0.25","","Grey, I. E.; Kampf, A. R.; Keck, E.; Cashion, J. D.; MacRae, C. M.; Gozukara, Y.; Peterson, V. K.; Shanks, F. L.","The rockbridgeite group approved and a new member, ferrorockbridgeite, (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O), described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria Note: X-ray single crystal on sample IGC29 Note: T = 100 K","European Journal of Mineralogy","2019","31","","389","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017260","9.183","","12.349","","5.0081","","90","","100.23","","90","","558.894","","","","","","","","","","","","Spring Creek mine, South Australia, Australia","10","P 1 21/m 1","-P 2yb","11","","","Strontioperloffite","- Al0.02 Ba0.38 Ca0.04 Fe2.08 H3 Mn1.86 Na0.02 O15 P3 Sr0.6 -","- Al0.04 Ba0.76 Ca0.08 Fe4.16 H6 Mn3.72 Na0.04 O30 P6 Sr1.2 -","- Al0.04 Ba0.76 Ca0.08 Fe4.16 H6 Mn3.72 Na0.04 O30 P6 Sr1.2 -","","","","Elliott, P.","Strontioperloffite, SrMn22+Fe32+PO43+OH3, a new bjarebyite-group mineral from the Spring Creek mine, South Australia, Australia","European Journal of Mineralogy","2019","31","","549","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017261","13.909","","5.186","","12.159","","90","","98.88","","90","","866.541","","","","","","","","","","","","Krasno near Horni Slavkov, Czech Republic","5","P 1 2/a 1","-P 2ya","13","","","Kenngottite","- Fe3.85 H8.74 Mn3 O24.08 P4 -","- Fe3.85 H8.74 Mn3 O24.08 P4 -","- Fe7.7 H17.48 Mn6 O48.16 P8 -","2","0.5","","Sejkora, J.; Grey, I. E.; Kampf, A. R.","Kenngottite, Mn32+Fe43+(PO4)4(OH)6(H2O)2: a new phosphate mineral from Krasno near Horni Slavkov, Czech Republic Note: water and hydroxyl groups are not well located","European Journal of Mineralogy","2019","31","","629","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017262","10.021","","24.137","","6.226","","90","","91.54","","90","","1505.38","","","","","","","","","","","","Foote spodumene mine, North Carolina, USA","8","C 1 2/c 1","-C 2yc","15","","","Fanfaniite","- Al1.96 Ca2 Fe0.1 H10 Mg0.06 Mn0.38 O20 P3 -","- Al1.96 Ca2 Fe0.1 H10 Mg0.06 Mn0.38 O20 P3 -","- Al7.84 Ca8 Fe0.4 H40 Mg0.24 Mn1.52 O80 P12 -","4","0.5","","Grey, I. E.; Kampf, A. R.; Smith, J. B.; MacRae, C. M.; Keck, E.","Fanfaniite, Ca4Mn2+Al4(PO4)6(OH,F)4*12H2O, a new mineral with a montgomeryite-type structure","European Journal of Mineralogy","2019","31","","647","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017263","20.067","","13.197","","6.255","","89.35","","91.21","","112.2","","1533.33","","","","100","","","","","","","","Foote mine, Kings Mountain Mining District, North Carolina, USA","7","P -1","-P 1","2","","","Kingsmountite","- Al4 Ca3.091 Fe0.568 Mg0.14 Mn1.178 O40 P6 -","- Al4.002 Ca3.091 Fe0.568 Mg0.14 Mn1.178 O40 P6 -","- Al8.004 Ca6.182 Fe1.136 Mg0.28 Mn2.356 O80 P12 -","2","1","","Grey, I. E.; Kampf, A. R.; Smith, J. B.; Williams, T.; MacRae, C. M.","The calcioferrite group approved and kingsmountite redefined Note: sample K5, T = 100 K","European Journal of Mineralogy","2019","31","","1007","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9017337","8.7549","","5.0335","","8.2118","","90","","90","","90","","361.876","","","","","","","","","","","","rhyolitic rock, New Mexico, USA","2","C 2 2 21","C 2c 2","20","","","Tridymite","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Lee, S.; Xu, H.","Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite","Acta Crystallographica, Section B","2019","75","","","","10.1107/S2052520619000933","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:55",""
"9017338","4.9727","","4.9727","","6.9257","","90","","90","","90","","171.257","","","","","","","","","","","","rhyolitic rock, New Mexico, USA","2","P 41 21 2","P 4abw 2nw","92","","","Cristobalite","- O2 Si -","- O8 Si4 -","- O8 Si4 -","","","","Lee, S.; Xu, H.","Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite","Acta Crystallographica, Section B","2019","75","","","","10.1107/S2052520619000933","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:55",""
"9017715","11.035","","25.383","","6.411","","90","","90","","90","","1795.73","","","","","","","","","","","","Hagendorf-Sud pegmatite, Oberpfalz, Bavaria, Germany","6","P m a b","-P 2b 2a","57","","","Schmidite","- Fe2.22 H16 Mn0.94 O23 P3 Zn1.681 -","- Fe2.22 H16 Mn0.94 O23 P3 Zn1.681 -","- Fe8.88 H64 Mn3.76 O92 P12 Zn6.724 -","4","0.5","","Grey, I. E.; Keck, E.; Kampf, A. R.; Cashion, J. D.; MacRae, C. M.; Glenn, A. M.","Schmidite and wildenauerite, two new schoonerite-group minerals from the Hagendorf-Sud pegmatite, Oberpfalz, Bavaria Note: Sample IGC-1","Mineralogical Magazine","2019","83","","181","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017716","11.002","","25.31","","6.39","","90","","90","","90","","1779.36","","","","","","","","","","","","Hagendorf-Sud pegmatite, Oberpfalz, Bavaria, Germany","8","P m a b","-P 2b 2a","57","","","Schmidite","- Al0.06 Fe2.31 H16.2 Mg0.05 Mn0.88 O23 P3 Zn1.499 -","- Al0.06 Fe2.31 H16.2 Mg0.05 Mn0.88 O23 P3 Zn1.499 -","- Al0.24 Fe9.24 H64.8 Mg0.2 Mn3.52 O92 P12 Zn5.996 -","4","0.5","","Grey, I. E.; Keck, E.; Kampf, A. R.; Cashion, J. D.; MacRae, C. M.; Glenn, A. M.","Schmidite and wildenauerite, two new schoonerite-group minerals from the Hagendorf-Sud pegmatite, Oberpfalz, Bavaria Note: Sample IGC-31","Mineralogical Magazine","2019","83","","181","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017717","3.928","","3.928","","5.385","","90","","90","","120","","71.955","","","","","","","","","","","","Ognit ultramafic complex, Eastern Sayans, Russia","3","P 3 m 1","P 3 -2""","156","","","Ognitite","- Bi0.98 Ni Te -","- Bi0.98 Ni Te -","- Bi0.98 Ni Te -","","","","Barkov, A. Y.; Bindi, L.; Tamura, N.; Shvedov, G. I.; Winkler, B.; Stan, C. V.; Morgenroth, W.; Martin, R. F.; Zaccarini, F.; Stanley, C. J.","Ognitite, NiBiTe, a new mineral species, and Co-rich maucherite from the Ognit ultramafic complex, Eastern Sayans, Russia","Mineralogical Magazine","2019","83","","695","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:17",""
"9017753","5.099","","3.251","","5.695","","90","","90","","90","","94.405","","","","","","","","","","","","Hatrurim Formation, Israel","2","P n m a","-P 2ac 2n","62","","","Murashkoite","- Fe P -","- Fe4 P4 -","- Fe4 P4 -","","","","Britvin, S. N.; Vapnik, Y.; Polekhovsky, Y. S.; Krivovichev, S. V.; Krzhizhanovskaya, M. G.; Gorelova, L. A.; Vereshchagin, O. S.; Shilovskikh, V. V.; Zaitsev, A. N.","Murashkoite, FeP, a new terrestrial phosphide from pyrometamorphic rocks of the Hatrurim Formation, South Levant","Mineralogy and Petrology","2019","113","","237","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017764","9.7583","","9.7583","","53.687","","90","","90","","120","","4427.39","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","R -3 :H","-R 3","148","","","Scordariite","- Fe6.66 H34 K7.5 Na0.5 O67 S12 -","- Fe6.66 H34 K7.5002 Na0.5 O67 S12 -","- Fe19.98 H102 K22.5006 Na1.5 O201 S36 -","3","0.166667","","Biagioni, C.; Bindi, L.; Mauro, D.; Halenius; U","Crystal chemistry of sulfates from the Apuan Alps (Tuscany, Italy). V. Scordariite, K8(Fe3+0.67[]0.33)[Fe3+3O(SO4)6(H2O)3]2(H2O)11: A new metavoltine-related mineral","Minerals","2019","9","","","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017765","7.5491","","16.8652","","12.1574","","90","","94.064","","90","","1543.95","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","C 1 2/c 1","-C 2yc","15","","","Magnanelliite","- Al0.156 Fe1.844 H5 K3 O19 S4 -","- Al0.156 Fe1.844 H5 K3 O19 S4 -","- Al0.624 Fe7.376 H20 K12 O76 S16 -","4","0.5","","Biagioni, C.; Bindi, L.; Kampf, A. R.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VII. Magnanelliite, K3Fe3+2(SO4)4 (OH)(H2O)2, a new sulfate from the Monte Arsiccio mine","Minerals","2019","9","","","779","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017854","6.9103","","7.634","","7.643","","90","","118.002","","90","","355.992","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","- H8 Mg4 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: Sample Mg1.00Fe0.00","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017855","6.9379","","7.6213","","7.6634","","90","","118.138","","90","","357.319","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Kieserite","- Fe0.138 H2 Mg0.862 O5 S -","- Fe0.552 H8 Mg3.448 O20 S4 -","- Fe0.552 H8 Mg3.448 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: Sample Mg0.86Fe0.14","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017856","6.9889","","7.6014","","7.7101","","90","","118.304","","90","","360.632","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Kieserite","- Fe0.45 H2 Mg0.55 O5 S -","- Fe1.8 H8 Mg2.2 O20 S4 -","- Fe1.8 H8 Mg2.2 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: Sample Mg0.55Fe0.45","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017857","7.0417","","7.579","","7.753","","90","","118.491","","90","","363.659","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Szomolnokite","- Fe0.752 H2 Mg0.248 O5 S -","- Fe3.008 H8 Mg0.992 O20 S4 -","- Fe3.008 H8 Mg0.992 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: Sample Mg0.25Fe0.75","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017858","7.0862","","7.5545","","7.7801","","90","","118.612","","90","","365.629","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Szomolnokite","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","- Fe4 H8 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: Sample Mg0.00Fe1.00","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017859","6.8815","","7.6534","","7.6172","","90","","117.884","","90","","354.596","","","","193.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","- H8 Mg4 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: T = -80 C","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017860","6.8648","","7.6684","","7.6055","","90","","117.792","","90","","354.185","","","","113.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kieserite","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","- H8 Mg4 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: T = -160 C","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017861","7.058","","7.5663","","7.7576","","90","","118.454","","90","","364.234","","","","193.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Szomolnokite","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","- Fe4 H8 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: T = -80 C","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017862","7.0404","","7.5756","","7.745","","90","","118.368","","90","","363.476","","","","113.15","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Szomolnokite","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","- Fe4 H8 O20 S4 -","","","","Talla, D.; Wildner, M.","Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O, with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy under ambient and martian temperature conditions Note: T = -160 C","American Mineralogist","2019","104","","1732","1749","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017891","6.6749","","6.773","","14.9076","","79.604","","80.163","","62.475","","584.9","","","","","","","","","","","","Fornovolasco, Apuan Alps, Tuscany, Italy","7","P -1","-P 1","2","","","Wilcoxite","- Al F Fe0.02 H34 Mg0.98 O25 S2 -","- Al F Fe0.02 H34 Mg0.98 O25 S2 -","- Al F Fe0.02 H34 Mg0.98 O25 S2 -","1","0.5","","Mauro, D.; Biagioni, C.; Pasero, M.; Skogby, H.","Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy). III. Mg-rich sulfate assemblages from the Fornovolasco mining complex","Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A","2019","126","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017892","11.8664","","12.015","","6.8598","","90","","90","","90","","978.035","","","","","","","","","","","","Fornovolasco, Apuan Alps, Tuscany, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Epsomite","- Fe0.17 H14 Mg0.83 O11 S -","- Fe0.17 H14 Mg0.83 O11 S -","- Fe0.68 H56 Mg3.32 O44 S4 -","4","1","","Mauro, D.; Biagioni, C.; Pasero, M.; Skogby, H.","Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy). III. Mg-rich sulfate assemblages from the Fornovolasco mining complex","Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A","2019","126","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017893","25.77","","7.325","","10.522","","90","","90","","90","","1986.19","","","","100","","","","","","","","Griffins Find gold deposit, Western Australia","7","I m m a","-I 2b 2","74","","","Natrowalentalte","- As1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664 -","- As1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664 -","- As7.072 Fe10.744 H43.2 Na5.92 O81.44 P8 W2.656 -","4","0.25","","Grey, I. E.; Mumme, G.; Kampf, A. R.; MacRae, C. M.; Wilson, N. C.","Natrowalentaite, a new mineral from the Griffins Find gold deposit, Western Australia Note: T = 100 K","Australian Journal of Mineralogy","2019","20","","7","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017919","6.4512","","15.3227","","6.3253","","90.131","","100.9","","85.966","","612.414","","","","","","","","","","","","Apuan Alps, Tuscany, Italy","5","P -1","-P 1","2","","","Romerite","- Fe2.937 H28 Mg0.063 O30 S4 -","- Fe2.937 H28 Mg0.063 O30 S4 -","- Fe2.937 H28 Mg0.063 O30 S4 -","1","0.5","","Mauro, D.; Biagioni, C.; Pasero, M.; Zaccarini, F.","Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II. Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14","Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A","2019","125","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""